1979 lines
195 KiB
Plaintext
1979 lines
195 KiB
Plaintext
main_MD> Reading input file
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read_input> Process type: melting
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Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
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read_input> Input for metadynamics has been read
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read_input> Metadynamics has not been chosen.
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read_input> Reading initial positions fromtoMelt_79.xyz
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read_input> Finish reading initial positions
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read_input> Validating positions
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read_input> Initializing random number generator
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read_input> Checking program
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read_rgl> START READING FILE ../pot.pot
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read_rgl>> END READING FILE ../pot.pot
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READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
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READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
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read_rgl> PARAMETERS SELECTION
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FOR IMET1 :: Ag 4
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ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
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p :: 10.850000000000000 q :: 3.1800000000000002
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ATOMIC RADIUS :: 1.4450000999999999
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choice_pot> values:
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frac = 0.12062503764379931 arete = 4.0870774781009569
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choice_pot> mass is== 108.00000000000000 for elem1=
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read_input> ntipo1 = 79 ntipo2 = 0
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read_input> Finish reading input
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main_MD> Allocating global variables
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main_MD> Number of outputs that will be created: 1750
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main_MD> Size of nv and nvoiz: 79 7900
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main_MD> Size of nv and nvoiz: 79 7900
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main_MD> Number of time-steps (npas) = 50000
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main_MD> Number of CVs (num_cv) = 1
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main_MD> Max allowed number of atoms = 2900
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main_MD> Max number of atoms = 79
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main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
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main_MD> collvar_wanted = F
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main_MD> INPUT AND POTENTIAL FILE READING IS DONE
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main_MD> THERMALIZATION IS STARTING
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init> 1.6250511450593936E-002 1.7050601800438204E-004 5.9753678266571214E-002 initial drift of cluster / NP1 for coalescence
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init> 0.26809107977266727 0.31504213238810908 0.31644173042040602 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.9236015994025389E-003
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preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
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preparo> END t=0 TIME STEP
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -3.36826 0.13691 0.31258
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force_rgl> df(natom) -1.42997 -0.48586 0.75564
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preparo> THERMALIZATION PROCESS AT 320.57135165858625
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -199.63986740808159 3.4010632920081800 -203.04093070008977 3.8357463139810315E-004
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preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
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main_MD> Time-loop is starting for melting
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main_MD> Now the computation of EXECUTION TIME starts
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main_MD> Running from loop 1 to 35
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MELTING PROCESS: loop number 1 T-loop= 346.00000000000000
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main_MD> interactions number 1 at Temperature= 346.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -2.66021 -1.89902 -3.65959
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force_rgl> df(natom) 1.20979 1.19961 0.90498
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5.0000 -203.37130 -199.71306 3.65824 1.80360 -199.84333 318.75258
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10.0000 -202.78722 -199.39420 3.39301 1.82548 -199.44043 336.50035
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15.0000 -202.81598 -199.51693 3.29906 1.85725 -198.85564 360.93064
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20.0000 -203.16010 -200.06423 3.09587 1.80787 -199.76466 317.90579
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25.0000 -202.70342 -199.06427 3.63915 1.83699 -199.22863 340.02454
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30.0000 -202.35187 -198.52258 3.82929 1.84541 -199.07349 350.03162
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35.0000 -202.66728 -199.17488 3.49240 1.82991 -199.35891 334.74237
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40.0000 -203.54391 -199.38437 4.15955 1.82142 -199.51518 329.28771
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45.0000 -202.97083 -199.54494 3.42589 1.82939 -199.36855 337.69692
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50.0000 -202.81443 -198.93348 3.88095 1.82722 -199.40853 336.66846
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55.0000 -202.47676 -198.58003 3.89673 1.87320 -198.56188 374.93280
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60.0000 -201.77921 -197.91514 3.86407 1.87989 -198.43871 374.10329
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65.0000 -201.96482 -198.01328 3.95154 1.90501 -197.97626 394.54011
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70.0000 -202.94799 -199.24736 3.70064 1.85657 -198.86820 361.50002
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75.0000 -202.48935 -198.92188 3.56746 1.85847 -198.83312 362.95160
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80.0000 -202.55120 -198.54555 4.00565 1.86230 -198.76268 362.84300
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85.0000 -202.93676 -199.36608 3.57068 1.85992 -198.80634 365.62151
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90.0000 -202.55551 -198.68136 3.87415 1.83232 -199.31450 342.84602
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95.0000 -202.38828 -198.65996 3.72832 1.86474 -198.71763 365.89711
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100.0000 -202.09413 -198.88224 3.21189 1.86581 -198.69806 371.99443
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105.0000 -202.27351 -198.64393 3.62959 1.86986 -198.62339 359.60030
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110.0000 -202.72727 -198.96449 3.76278 1.87129 -198.59714 361.16138
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115.0000 -202.53409 -198.45559 4.07850 1.85855 -198.83174 357.23394
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120.0000 -202.27148 -198.95287 3.31862 1.85905 -198.82248 355.12666
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125.0000 -202.73605 -199.43837 3.29769 1.83328 -199.29682 334.11394
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130.0000 -202.83631 -199.62749 3.20882 1.82973 -199.36226 331.34368
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135.0000 -202.35025 -198.92747 3.42278 1.82118 -199.51977 328.68514
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140.0000 -202.61130 -198.71349 3.89782 1.84788 -199.02815 350.88594
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145.0000 -202.90695 -199.10255 3.80440 1.82861 -199.38290 333.65195
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150.0000 -202.54524 -199.09006 3.45518 1.84846 -199.01751 349.10257
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155.0000 -203.48436 -199.61288 3.87147 1.84504 -199.08032 352.57067
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160.0000 -203.24504 -199.55903 3.68600 1.82666 -199.41878 335.92954
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165.0000 -202.68916 -199.44093 3.24823 1.81307 -199.66891 322.90572
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170.0000 -201.54097 -198.24389 3.29708 1.85194 -198.95335 349.23806
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175.0000 -203.04612 -199.45457 3.59155 1.84952 -198.99798 354.42060
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180.0000 -202.35776 -198.19713 4.16063 1.84813 -199.02359 355.04766
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185.0000 -202.95785 -198.81541 4.14244 1.87355 -198.55552 371.59871
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190.0000 -202.32267 -198.70361 3.61906 1.84791 -199.02760 351.41715
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195.0000 -202.82905 -198.95336 3.87569 1.86052 -198.79544 361.27478
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200.0000 -202.65573 -198.74651 3.90922 1.86843 -198.64982 367.23713
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205.0000 -201.95073 -198.38447 3.56627 1.87760 -198.48087 369.64032
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210.0000 -202.59436 -198.68260 3.91176 1.87953 -198.44543 378.45745
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215.0000 -202.98966 -199.24279 3.74687 1.85821 -198.83790 359.57211
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220.0000 -202.97992 -199.51275 3.46717 1.82712 -199.41028 338.05734
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225.0000 -202.83838 -199.18060 3.65778 1.82085 -199.52572 323.21165
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230.0000 -202.62513 -198.56936 4.05577 1.86452 -198.72170 363.39484
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235.0000 -202.76650 -199.05702 3.70947 1.85161 -198.95938 359.85168
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240.0000 -201.96348 -198.27067 3.69281 1.85827 -198.83690 360.26162
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245.0000 -202.31268 -198.73971 3.57297 1.86298 -198.75017 361.27899
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250.0000 -203.21139 -199.43634 3.77505 1.85055 -198.97893 348.15321
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MELTING PROCESS: loop number 2 T-loop= 371.00000000000000
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main_MD> interactions number 2 at Temperature= 371.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.10413 0.98399 -0.52248
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force_rgl> df(natom) 0.20706 -0.68448 0.38799
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255.0000 -202.95229 -199.27840 3.67388 1.84420 -199.09582 343.90060
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260.0000 -203.05964 -199.67142 3.38821 1.82415 -199.46502 324.20542
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265.0000 -201.95983 -198.80964 3.15019 1.84501 -199.08091 341.42300
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270.0000 -201.84449 -197.88982 3.95467 1.87273 -198.57055 363.52269
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275.0000 -201.58994 -198.18309 3.40685 1.88760 -198.29673 376.56090
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280.0000 -202.63213 -198.78720 3.84493 1.86811 -198.65569 362.53557
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285.0000 -202.08104 -198.20876 3.87229 1.86449 -198.72228 362.22577
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290.0000 -201.93808 -198.24518 3.69291 1.87587 -198.51283 365.92540
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295.0000 -202.86287 -198.77460 4.08827 1.86377 -198.73549 359.40043
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300.0000 -202.06360 -198.67549 3.38811 1.86320 -198.74605 356.16695
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305.0000 -202.53242 -198.88206 3.65036 1.84621 -199.05894 350.16586
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310.0000 -202.77685 -199.28982 3.48702 1.85279 -198.93771 352.00998
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315.0000 -203.19862 -199.33896 3.85966 1.86075 -198.79107 353.96124
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320.0000 -202.46280 -198.47539 3.98741 1.85894 -198.82444 354.65825
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325.0000 -202.12488 -198.34470 3.78018 1.89007 -198.25139 376.56534
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330.0000 -201.98618 -198.10373 3.88245 1.88105 -198.41741 374.64448
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335.0000 -201.93915 -198.27651 3.66265 1.91123 -197.86167 395.96170
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340.0000 -202.31547 -198.58554 3.72994 1.89609 -198.14042 388.03016
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345.0000 -201.66124 -198.17828 3.48296 1.88039 -198.42946 376.04273
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350.0000 -202.12243 -197.89819 4.22424 1.91183 -197.85068 406.18765
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355.0000 -202.64727 -198.79733 3.84994 1.87210 -198.58210 374.17654
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360.0000 -202.28533 -198.65283 3.63250 1.87754 -198.48200 372.84287
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365.0000 -201.80246 -197.74567 4.05679 1.87928 -198.44991 375.20235
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370.0000 -201.36201 -197.82842 3.53359 1.93125 -197.49319 414.60744
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375.0000 -201.67472 -197.79545 3.87927 1.88633 -198.32022 378.45117
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380.0000 -201.56947 -197.71254 3.85694 1.90243 -198.02370 391.88969
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385.0000 -201.43340 -197.31319 4.12021 1.93208 -197.47778 413.55526
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390.0000 -202.11599 -197.93234 4.18365 1.90381 -197.99837 382.90293
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395.0000 -202.10775 -198.48460 3.62316 1.86881 -198.64282 353.09820
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400.0000 -202.01447 -198.56149 3.45298 1.88147 -198.40962 364.35411
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405.0000 -201.84701 -198.17121 3.67580 1.87858 -198.46285 363.40052
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410.0000 -201.75637 -197.53884 4.21753 1.90045 -198.06023 378.64247
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415.0000 -202.09461 -198.71760 3.37701 1.89495 -198.16147 380.02748
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420.0000 -202.38584 -198.46056 3.92528 1.85984 -198.80792 364.38679
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425.0000 -201.61112 -197.85695 3.75417 1.88433 -198.35701 376.28241
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430.0000 -201.87329 -198.30766 3.56564 1.91066 -197.87221 386.75916
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435.0000 -201.93938 -198.00055 3.93883 1.89860 -198.09437 382.42193
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440.0000 -201.96672 -198.04985 3.91687 1.91888 -197.72086 397.62139
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445.0000 -202.24342 -197.99516 4.24827 1.89523 -198.15637 387.79858
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450.0000 -202.42984 -198.74939 3.68045 1.87637 -198.50354 367.40727
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455.0000 -202.30410 -199.05778 3.24632 1.86139 -198.77931 360.73750
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460.0000 -202.36571 -198.76320 3.60251 1.86886 -198.64180 364.88959
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465.0000 -202.85911 -199.22328 3.63582 1.84373 -199.10450 342.71936
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470.0000 -202.97973 -199.62879 3.35094 1.84434 -199.09322 348.78951
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475.0000 -202.60950 -199.16929 3.44021 1.82813 -199.39180 341.39657
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480.0000 -202.65510 -198.85650 3.79860 1.86268 -198.75556 360.95827
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485.0000 -202.38089 -198.86952 3.51137 1.86879 -198.64308 367.11820
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490.0000 -201.73385 -198.20582 3.52803 1.85690 -198.86195 359.71562
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495.0000 -201.67222 -198.36907 3.30315 1.90950 -197.89368 395.01445
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500.0000 -201.67325 -197.93682 3.73644 1.90469 -197.98219 398.53869
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MELTING PROCESS: loop number 3 T-loop= 396.00000000000000
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main_MD> interactions number 3 at Temperature= 396.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.75791 -4.88842 4.08624
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force_rgl> df(natom) -4.73790 -1.12177 -1.57743
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505.0000 -201.23360 -197.48967 3.74392 1.91367 -197.81690 408.22067
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510.0000 -202.27511 -198.27036 4.00475 1.93064 -197.50438 425.39496
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515.0000 -201.93739 -197.87062 4.06676 1.92663 -197.57823 420.26694
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520.0000 -201.88099 -197.75523 4.12576 1.91936 -197.71210 411.30578
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525.0000 -201.81697 -197.71190 4.10507 1.90404 -197.99408 395.55483
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530.0000 -202.59677 -198.66218 3.93459 1.89995 -198.06934 392.46485
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535.0000 -202.47699 -198.28384 4.19315 1.87450 -198.53798 373.14378
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540.0000 -202.48782 -198.09353 4.39429 1.89770 -198.11084 394.65123
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545.0000 -201.80135 -197.49373 4.30762 1.90167 -198.03785 402.34798
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550.0000 -201.69271 -197.43441 4.25829 1.91733 -197.74945 402.81488
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555.0000 -201.59345 -197.38144 4.21201 1.94916 -197.16348 423.07362
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560.0000 -201.63984 -197.55907 4.08077 1.94185 -197.29801 434.37514
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565.0000 -202.12654 -198.45085 3.67568 1.91494 -197.79353 408.80608
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570.0000 -201.46000 -197.58254 3.87746 1.90261 -198.02043 382.71952
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575.0000 -202.19942 -198.15974 4.03968 1.93505 -197.42322 405.76787
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580.0000 -202.13074 -197.85894 4.27180 1.89418 -198.17560 369.47921
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585.0000 -201.49927 -197.17186 4.32741 1.93827 -197.36398 416.69840
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590.0000 -201.78089 -197.61925 4.16164 1.93283 -197.46404 416.17879
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595.0000 -201.97257 -197.27992 4.69264 1.92465 -197.61465 411.41884
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600.0000 -201.76492 -197.53786 4.22706 1.95881 -196.98577 433.34751
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605.0000 -201.77147 -197.79167 3.97980 1.91646 -197.76543 401.08338
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610.0000 -200.70712 -197.06748 3.63964 1.91873 -197.72365 400.55748
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615.0000 -201.37125 -197.65475 3.71650 1.96774 -196.82141 445.15482
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620.0000 -201.84024 -196.98436 4.85587 1.92078 -197.68589 402.29496
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625.0000 -202.25150 -198.39457 3.85693 1.94293 -197.27820 420.14801
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630.0000 -201.32560 -197.09226 4.23334 1.90021 -198.06469 382.50013
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635.0000 -201.47564 -197.67526 3.80038 1.93980 -197.33578 416.04193
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640.0000 -201.88996 -197.70105 4.18890 1.91063 -197.87276 390.22106
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645.0000 -201.99721 -198.08369 3.91352 1.92529 -197.60285 402.78940
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650.0000 -201.99170 -198.04050 3.95119 1.90431 -197.98911 383.94348
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655.0000 -202.26593 -198.69593 3.57000 1.88530 -198.33912 376.57564
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660.0000 -201.27217 -197.17816 4.09402 1.89741 -198.11616 387.61014
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665.0000 -202.08077 -197.88129 4.19948 1.92780 -197.55669 411.29895
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670.0000 -201.74502 -197.65839 4.08663 1.92658 -197.57906 403.57230
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675.0000 -202.15270 -198.44078 3.71192 1.90055 -198.05842 381.45523
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680.0000 -201.51260 -197.65020 3.86240 1.90402 -197.99447 387.85730
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685.0000 -201.64474 -197.92291 3.72182 1.90800 -197.92130 389.26886
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690.0000 -201.82902 -197.56412 4.26490 1.91925 -197.71400 398.53711
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695.0000 -202.22547 -197.44274 4.78273 1.92105 -197.68103 398.68406
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700.0000 -201.44878 -196.75530 4.69348 1.93202 -197.47890 408.82646
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705.0000 -202.79988 -198.82217 3.97771 1.90467 -197.98253 387.63599
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710.0000 -202.51897 -198.28115 4.23782 1.86932 -198.63343 360.74050
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715.0000 -202.34088 -198.70648 3.63440 1.89284 -198.20025 375.43731
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720.0000 -203.24911 -199.26411 3.98500 1.84843 -199.01790 336.15571
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725.0000 -202.26756 -198.58574 3.68182 1.85785 -198.84457 346.83967
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730.0000 -202.81752 -198.73756 4.07996 1.87572 -198.51554 364.89345
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735.0000 -201.78880 -198.22794 3.56087 1.87625 -198.50585 366.19343
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740.0000 -201.86860 -197.54778 4.32083 1.92147 -197.67316 404.19197
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745.0000 -201.36393 -197.77356 3.59037 1.89931 -198.08117 386.94106
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750.0000 -201.92386 -197.64947 4.27439 1.89611 -198.14005 381.10322
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MELTING PROCESS: loop number 4 T-loop= 421.00000000000000
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main_MD> interactions number 4 at Temperature= 421.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.21854 -1.61042 0.96816
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force_rgl> df(natom) 0.32876 0.19049 1.79648
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755.0000 -201.60679 -197.81813 3.78866 1.92826 -197.54820 394.34995
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760.0000 -201.05763 -196.69429 4.36333 1.93627 -197.40065 396.59724
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765.0000 -201.78242 -197.18025 4.60217 1.95734 -197.01279 442.93600
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770.0000 -201.03575 -196.53388 4.50187 1.96203 -196.92646 435.76807
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775.0000 -202.08191 -196.98401 5.09790 1.98391 -196.52367 464.19287
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780.0000 -201.75597 -197.15426 4.60170 1.93625 -197.40104 425.97585
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785.0000 -201.29214 -196.80044 4.49169 1.96568 -196.85923 447.13999
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790.0000 -201.52115 -196.47295 5.04820 1.98126 -196.57239 458.33213
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795.0000 -202.01833 -198.14764 3.87069 1.94083 -197.31678 425.75805
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800.0000 -202.34322 -198.57572 3.76750 1.89142 -198.22641 384.83651
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805.0000 -201.83627 -197.64400 4.19227 1.91353 -197.81939 404.65708
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810.0000 -201.64958 -197.30754 4.34204 1.90668 -197.94556 397.68160
|
|
815.0000 -202.05730 -196.76614 5.29116 1.93440 -197.43510 418.48253
|
|
820.0000 -201.49124 -196.65284 4.83840 1.98542 -196.49585 461.99948
|
|
825.0000 -202.33213 -197.73459 4.59754 1.95648 -197.02869 431.87934
|
|
830.0000 -201.11607 -197.24223 3.87384 1.94176 -197.29959 426.24222
|
|
835.0000 -202.43336 -197.77173 4.66163 1.93806 -197.36770 424.35442
|
|
840.0000 -201.30186 -197.35703 3.94483 1.93985 -197.33479 427.96406
|
|
845.0000 -201.95596 -197.64475 4.31120 1.92660 -197.57869 412.37615
|
|
850.0000 -201.69069 -197.21457 4.47613 1.95708 -197.01763 438.94197
|
|
855.0000 -201.65602 -197.72498 3.93104 1.96371 -196.89549 437.96419
|
|
860.0000 -201.61284 -197.05233 4.56051 1.94768 -197.19067 426.04170
|
|
865.0000 -201.47455 -197.16126 4.31329 1.93258 -197.46870 415.61856
|
|
870.0000 -201.27278 -196.99599 4.27679 1.96370 -196.89567 435.99657
|
|
875.0000 -201.38377 -197.20295 4.18081 1.97322 -196.72043 443.81986
|
|
880.0000 -201.59725 -196.94842 4.64883 1.93676 -197.39180 418.59886
|
|
885.0000 -201.67060 -198.12951 3.54109 1.92715 -197.56856 411.04143
|
|
890.0000 -202.23711 -198.72816 3.50895 1.87145 -198.59412 364.57331
|
|
895.0000 -201.34362 -197.33004 4.01358 1.88986 -198.25521 375.63860
|
|
900.0000 -201.84846 -198.27117 3.57729 1.93218 -197.47607 405.75047
|
|
905.0000 -200.96790 -197.21037 3.75753 1.90572 -197.96325 395.58227
|
|
910.0000 -201.72265 -197.31543 4.40722 1.96031 -196.95810 444.77071
|
|
915.0000 -201.26614 -196.57466 4.69149 1.94587 -197.22395 427.69278
|
|
920.0000 -201.29893 -196.70550 4.59343 1.97982 -196.59885 449.34263
|
|
925.0000 -200.96047 -196.36156 4.59891 1.97844 -196.62434 447.91126
|
|
930.0000 -201.73648 -197.70428 4.03220 1.97072 -196.76642 431.90407
|
|
935.0000 -201.67861 -197.44393 4.23468 1.90700 -197.93955 390.54532
|
|
940.0000 -202.03085 -197.64420 4.38665 1.93672 -197.39250 417.53337
|
|
945.0000 -201.82168 -197.12509 4.69658 1.94756 -197.19283 421.07328
|
|
950.0000 -201.14717 -196.88903 4.25813 1.94639 -197.21438 413.48466
|
|
955.0000 -202.57316 -199.03367 3.53948 1.91263 -197.83593 392.70209
|
|
960.0000 -201.37257 -197.91075 3.46183 1.87745 -198.48374 366.00150
|
|
965.0000 -201.66010 -196.98916 4.67093 1.92915 -197.53173 409.78220
|
|
970.0000 -201.95200 -197.75665 4.19535 1.94265 -197.28317 422.47568
|
|
975.0000 -201.74228 -197.63499 4.10728 1.91746 -197.74714 400.40292
|
|
980.0000 -200.91444 -196.41006 4.50437 1.96615 -196.85052 438.41432
|
|
985.0000 -201.78720 -196.44370 5.34350 1.99058 -196.40090 460.42361
|
|
990.0000 -201.64546 -198.01328 3.63218 1.94713 -197.20082 423.43215
|
|
995.0000 -201.56544 -197.55291 4.01253 1.92558 -197.59754 400.94752
|
|
1000.0000 -200.85308 -196.93491 3.91818 1.96914 -196.79557 416.98904
|
|
MELTING PROCESS: loop number 5 T-loop= 446.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 446.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.11210 0.47753 0.42999
|
|
force_rgl> df(natom) 0.24964 -0.03382 0.52651
|
|
1005.0000 -201.12463 -196.83066 4.29397 1.96215 -196.92428 416.48531
|
|
1010.0000 -200.31457 -195.97789 4.33669 1.98283 -196.54355 423.84160
|
|
1015.0000 -200.66963 -196.18503 4.48460 2.00645 -196.10856 441.57182
|
|
1020.0000 -200.49994 -195.47911 5.02083 2.02011 -195.85705 463.08846
|
|
1025.0000 -200.41651 -194.93931 5.47720 2.03754 -195.53619 481.06511
|
|
1030.0000 -202.27417 -197.45773 4.81644 1.99046 -196.40294 444.95062
|
|
1035.0000 -201.40252 -197.23550 4.16702 1.92660 -197.57886 393.38729
|
|
1040.0000 -201.61583 -196.67810 4.93773 1.98894 -196.43108 444.86871
|
|
1045.0000 -200.11362 -194.96210 5.15152 2.00950 -196.05252 470.92854
|
|
1050.0000 -200.44300 -195.36990 5.07310 2.04629 -195.37512 494.05667
|
|
1055.0000 -200.92349 -196.45542 4.46807 2.02826 -195.70714 480.30932
|
|
1060.0000 -200.84783 -196.44355 4.40428 1.98242 -196.55108 446.19606
|
|
1065.0000 -201.82668 -197.22988 4.59680 1.96796 -196.81734 438.25268
|
|
1070.0000 -201.82806 -197.43269 4.39537 1.95377 -197.07858 430.00992
|
|
1075.0000 -202.05147 -197.21395 4.83752 1.94025 -197.32745 428.10361
|
|
1080.0000 -201.49727 -197.27122 4.22605 1.95443 -197.06633 437.41894
|
|
1085.0000 -201.40352 -196.29213 5.11139 1.95338 -197.08579 431.47560
|
|
1090.0000 -200.26357 -196.16088 4.10269 2.01069 -196.03057 478.86467
|
|
1095.0000 -201.14009 -196.40199 4.73810 2.00747 -196.08980 474.11125
|
|
1100.0000 -201.18085 -196.12783 5.05302 1.98699 -196.46688 464.62235
|
|
1105.0000 -201.14255 -196.88825 4.25430 1.98223 -196.55445 453.24836
|
|
1110.0000 -201.04357 -196.33850 4.70508 1.97718 -196.64747 451.88134
|
|
1115.0000 -200.67745 -196.05457 4.62288 2.01708 -195.91300 480.09759
|
|
1120.0000 -201.12468 -196.54183 4.58285 2.00838 -196.07314 481.66067
|
|
1125.0000 -201.71114 -197.50980 4.20134 1.95958 -196.97153 438.89564
|
|
1130.0000 -201.52793 -197.07632 4.45161 1.94225 -197.29062 423.95106
|
|
1135.0000 -201.35451 -196.29698 5.05753 1.95337 -197.08587 438.70521
|
|
1140.0000 -200.94183 -196.78626 4.15557 1.97619 -196.66579 447.88171
|
|
1145.0000 -201.64837 -196.47530 5.17307 1.96984 -196.78268 429.95795
|
|
1150.0000 -201.77786 -196.82561 4.95224 1.96587 -196.85571 440.35018
|
|
1155.0000 -201.40123 -196.81770 4.58353 1.96514 -196.86916 439.47924
|
|
1160.0000 -200.58996 -196.92299 3.66698 1.97118 -196.75801 454.87874
|
|
1165.0000 -201.34123 -197.18892 4.15231 1.98100 -196.57725 461.00811
|
|
1170.0000 -201.40047 -197.26201 4.13846 1.96050 -196.95454 440.33301
|
|
1175.0000 -201.96329 -197.36462 4.59867 1.95086 -197.13210 430.33182
|
|
1180.0000 -201.50851 -196.88539 4.62312 1.95589 -197.03959 433.55300
|
|
1185.0000 -201.13974 -196.66799 4.47175 1.97636 -196.66262 449.20607
|
|
1190.0000 -201.74286 -197.63586 4.10700 1.94423 -197.25423 428.24823
|
|
1195.0000 -201.34338 -197.38151 3.96187 1.92614 -197.58730 412.05869
|
|
1200.0000 -201.30585 -196.60973 4.69612 1.95267 -197.09879 423.90802
|
|
1205.0000 -201.51576 -197.13316 4.38259 1.96398 -196.89062 438.69385
|
|
1210.0000 -200.98831 -195.59980 5.38851 1.97265 -196.73095 450.77622
|
|
1215.0000 -200.04621 -195.45978 4.58643 2.03429 -195.59610 500.93058
|
|
1220.0000 -201.25290 -195.73641 5.51649 2.02708 -195.72875 491.73442
|
|
1225.0000 -201.54440 -196.81713 4.72727 1.98874 -196.43467 468.11347
|
|
1230.0000 -200.44278 -195.76670 4.67608 1.98657 -196.47470 459.56020
|
|
1235.0000 -201.01797 -196.89238 4.12560 2.01070 -196.03040 471.28927
|
|
1240.0000 -200.95089 -196.05431 4.89658 1.96203 -196.92644 439.13339
|
|
1245.0000 -200.60628 -196.35140 4.25487 2.00780 -196.08369 469.82351
|
|
1250.0000 -201.43125 -196.73753 4.69372 1.99756 -196.27222 456.85546
|
|
MELTING PROCESS: loop number 6 T-loop= 471.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 471.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.18239 1.19000 3.16651
|
|
force_rgl> df(natom) -1.80836 -2.95485 -0.98939
|
|
1255.0000 -201.58345 -196.60253 4.98092 1.97292 -196.72587 443.41006
|
|
1260.0000 -201.17901 -195.41581 5.76320 2.03863 -195.51612 493.85710
|
|
1265.0000 -200.69829 -195.78897 4.90932 2.01822 -195.89188 467.21726
|
|
1270.0000 -200.09232 -196.33063 3.76169 2.02613 -195.74633 474.18217
|
|
1275.0000 -201.42596 -197.09325 4.33271 1.99103 -196.39250 453.07794
|
|
1280.0000 -201.73361 -197.33595 4.39766 1.94279 -197.28074 423.44500
|
|
1285.0000 -201.46875 -196.23023 5.23852 1.97290 -196.72641 441.92733
|
|
1290.0000 -200.68496 -196.52515 4.15981 1.98631 -196.47938 451.50814
|
|
1295.0000 -200.63112 -195.92985 4.70126 2.00948 -196.05281 473.17054
|
|
1300.0000 -201.85985 -197.19632 4.66352 1.98162 -196.56586 449.30734
|
|
1305.0000 -201.46779 -196.71167 4.75612 1.97071 -196.76667 436.96001
|
|
1310.0000 -201.09777 -196.82143 4.27634 1.97770 -196.63793 451.48243
|
|
1315.0000 -201.37786 -196.42031 4.95755 1.98347 -196.53173 451.05318
|
|
1320.0000 -201.16145 -196.16216 4.99928 2.01509 -195.94955 489.26820
|
|
1325.0000 -201.00537 -196.14815 4.85722 2.01398 -195.97008 481.67977
|
|
1330.0000 -200.76959 -196.23776 4.53184 2.02568 -195.75450 485.88165
|
|
1335.0000 -201.16660 -197.09078 4.07582 1.96906 -196.79707 453.63744
|
|
1340.0000 -201.19415 -196.04144 5.15271 1.98035 -196.58908 455.63645
|
|
1345.0000 -201.13798 -196.14573 4.99225 2.00090 -196.21085 472.51420
|
|
1350.0000 -200.44836 -195.20987 5.23849 2.03049 -195.66605 494.07821
|
|
1355.0000 -201.73723 -197.16701 4.57022 2.00924 -196.05720 464.17792
|
|
1360.0000 -200.73384 -195.38983 5.34401 2.01359 -195.97710 479.85496
|
|
1365.0000 -200.55798 -195.44173 5.11625 2.01802 -195.89558 474.99738
|
|
1370.0000 -200.45433 -195.61639 4.83794 2.03663 -195.55290 484.59170
|
|
1375.0000 -201.07778 -196.58090 4.49688 2.01087 -196.02724 461.60985
|
|
1380.0000 -200.25816 -195.41689 4.84128 2.01209 -196.00470 472.02711
|
|
1385.0000 -201.52899 -196.17593 5.35306 2.02636 -195.74211 476.52425
|
|
1390.0000 -200.84657 -195.74598 5.10059 2.00102 -196.20866 467.93851
|
|
1395.0000 -200.15727 -194.89053 5.26674 2.05903 -195.14051 497.78508
|
|
1400.0000 -200.33931 -196.33274 4.00657 2.03108 -195.65524 478.80528
|
|
1405.0000 -200.12966 -195.63892 4.49074 2.02644 -195.74065 469.99633
|
|
1410.0000 -200.65770 -195.68093 4.97676 2.03644 -195.55649 493.36205
|
|
1415.0000 -200.61054 -195.56397 5.04656 2.03944 -195.50129 486.82445
|
|
1420.0000 -200.85185 -195.31081 5.54104 2.03986 -195.49355 495.44654
|
|
1425.0000 -200.44046 -194.87851 5.56194 2.09003 -194.56982 531.73436
|
|
1430.0000 -200.88052 -195.49421 5.38631 2.06226 -195.08109 502.95982
|
|
1435.0000 -201.01499 -196.57398 4.44101 2.02283 -195.80707 471.09072
|
|
1440.0000 -200.21779 -195.33950 4.87829 2.00618 -196.11367 462.10011
|
|
1445.0000 -200.43668 -195.71705 4.71963 2.00923 -196.05741 468.24695
|
|
1450.0000 -201.15397 -196.71893 4.43503 1.99255 -196.36449 452.58148
|
|
1455.0000 -200.71818 -195.76677 4.95142 2.00778 -196.08420 461.23340
|
|
1460.0000 -200.64406 -195.41050 5.23356 2.04251 -195.44478 487.63714
|
|
1465.0000 -200.20240 -195.18749 5.01491 2.05303 -195.25108 509.23565
|
|
1470.0000 -200.72145 -195.96294 4.75852 2.03876 -195.51369 469.74740
|
|
1475.0000 -200.02494 -195.38776 4.63718 2.04958 -195.31461 475.45394
|
|
1480.0000 -200.15886 -195.58312 4.57574 2.06544 -195.02246 499.01621
|
|
1485.0000 -199.86411 -195.48034 4.38377 2.00253 -196.18080 460.17877
|
|
1490.0000 -200.67622 -195.76577 4.91045 2.05065 -195.29487 484.72644
|
|
1495.0000 -200.55213 -195.52241 5.02972 2.01897 -195.87814 478.98449
|
|
1500.0000 -201.24813 -196.33823 4.90989 2.01160 -196.01381 461.84178
|
|
MELTING PROCESS: loop number 7 T-loop= 496.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 496.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.57607 1.70329 1.00232
|
|
force_rgl> df(natom) -3.10621 0.12177 -2.79512
|
|
1505.0000 -201.37735 -196.95734 4.42000 2.01442 -195.96188 466.81731
|
|
1510.0000 -200.52873 -195.59168 4.93705 2.00410 -196.15198 451.91727
|
|
1515.0000 -201.04399 -196.23932 4.80467 2.02509 -195.76553 445.17577
|
|
1520.0000 -199.95504 -195.24977 4.70527 2.04098 -195.47285 449.75344
|
|
1525.0000 -198.95214 -193.93280 5.01934 2.06929 -194.95163 467.50915
|
|
1530.0000 -199.12767 -193.84077 5.28690 2.10871 -194.22586 492.37969
|
|
1535.0000 -199.39777 -193.40936 5.98841 2.15344 -193.40233 541.06074
|
|
1540.0000 -200.19089 -195.20108 4.98980 2.06526 -195.02593 491.91733
|
|
1545.0000 -201.45632 -195.57608 5.88024 2.02391 -195.78711 465.26956
|
|
1550.0000 -199.43099 -194.54589 4.88510 2.04326 -195.43084 474.86010
|
|
1555.0000 -198.76121 -194.08536 4.67585 2.10136 -194.36115 479.54156
|
|
1560.0000 -198.23306 -192.88218 5.35089 2.16029 -193.27625 504.00602
|
|
1565.0000 -198.21038 -192.87915 5.33122 2.17849 -192.94119 522.62757
|
|
1570.0000 -199.36204 -193.91266 5.44939 2.16758 -193.14200 548.22188
|
|
1575.0000 -200.33248 -194.66939 5.66309 2.10786 -194.24161 530.07210
|
|
1580.0000 -199.48889 -194.50784 4.98105 2.07886 -194.77544 531.53364
|
|
1585.0000 -200.03126 -194.47806 5.55320 2.10296 -194.33166 540.66866
|
|
1590.0000 -200.80223 -195.15718 5.64505 2.07207 -194.90052 536.21063
|
|
1595.0000 -200.76185 -195.44761 5.31424 2.06415 -195.04630 529.54000
|
|
1600.0000 -199.87939 -194.36919 5.51021 2.05877 -195.14526 521.14899
|
|
1605.0000 -200.59386 -195.81829 4.77556 2.04804 -195.34288 511.34495
|
|
1610.0000 -201.33847 -196.88534 4.45313 1.95923 -196.97795 448.57873
|
|
1615.0000 -200.90785 -195.95792 4.94994 1.99618 -196.29772 483.02283
|
|
1620.0000 -200.63265 -195.84225 4.79039 2.00093 -196.21022 478.55472
|
|
1625.0000 -201.29512 -195.36632 5.92881 2.02241 -195.81472 494.46560
|
|
1630.0000 -200.89014 -195.88332 5.00682 2.03846 -195.51926 493.83440
|
|
1635.0000 -201.42170 -196.27216 5.14955 1.99574 -196.30582 480.30477
|
|
1640.0000 -201.11377 -195.90258 5.21119 2.03015 -195.67232 507.07683
|
|
1645.0000 -199.56178 -194.14815 5.41363 2.08480 -194.66602 545.81356
|
|
1650.0000 -200.21612 -195.88518 4.33094 2.03743 -195.53824 505.34894
|
|
1655.0000 -200.55869 -195.09974 5.45895 2.02747 -195.72161 481.73238
|
|
1660.0000 -201.22989 -195.97345 5.25644 2.03312 -195.61764 504.74421
|
|
1665.0000 -200.40887 -195.89154 4.51732 2.02411 -195.78342 495.91576
|
|
1670.0000 -200.29317 -194.93766 5.35551 2.08844 -194.59915 547.66323
|
|
1675.0000 -200.39519 -195.12526 5.26993 2.07404 -194.86427 527.01354
|
|
1680.0000 -200.93933 -196.12578 4.81355 2.03241 -195.63071 486.04597
|
|
1685.0000 -200.88507 -196.00504 4.88003 1.98897 -196.43046 477.60082
|
|
1690.0000 -201.02427 -196.35205 4.67222 2.02251 -195.81299 497.50751
|
|
1695.0000 -200.48144 -195.22955 5.25189 2.01795 -195.89698 496.31848
|
|
1700.0000 -201.09600 -195.84197 5.25403 2.02871 -195.69885 499.84476
|
|
1705.0000 -200.58975 -196.00103 4.58871 2.00590 -196.11866 491.54225
|
|
1710.0000 -201.46522 -196.02963 5.43559 2.01729 -195.90910 504.93007
|
|
1715.0000 -201.34852 -195.89591 5.45261 2.01166 -196.01275 496.67468
|
|
1720.0000 -201.07281 -195.59430 5.47851 2.02384 -195.78843 504.50771
|
|
1725.0000 -201.76884 -195.68268 6.08615 2.00518 -196.13210 492.51754
|
|
1730.0000 -201.15267 -196.10197 5.05069 2.02939 -195.68636 513.07795
|
|
1735.0000 -201.76763 -196.86032 4.90732 1.98825 -196.44376 488.09258
|
|
1740.0000 -201.08451 -195.86044 5.22407 1.98814 -196.44569 479.03333
|
|
1745.0000 -201.09402 -195.74094 5.35308 2.00620 -196.11331 485.32965
|
|
1750.0000 -200.28969 -194.94835 5.34134 2.03466 -195.58916 481.19139
|
|
MELTING PROCESS: loop number 8 T-loop= 521.00000000000000
|
|
main_MD> interactions number 8 at Temperature= 521.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.44601 0.26441 -1.43127
|
|
force_rgl> df(natom) 0.93468 1.85975 2.12885
|
|
1755.0000 -199.88715 -195.08038 4.80677 2.07674 -194.81446 536.96576
|
|
1760.0000 -200.37904 -195.63790 4.74114 2.03886 -195.51197 509.10628
|
|
1765.0000 -200.00940 -194.67008 5.33933 2.05585 -195.19918 513.33245
|
|
1770.0000 -199.29517 -193.63324 5.66194 2.11646 -194.08323 525.57995
|
|
1775.0000 -200.91895 -195.46601 5.45294 2.04815 -195.34081 512.22551
|
|
1780.0000 -200.32023 -195.47786 4.84237 2.05795 -195.16046 499.49186
|
|
1785.0000 -199.74111 -194.36890 5.37221 2.06691 -194.99539 514.42170
|
|
1790.0000 -200.21851 -195.38651 4.83200 2.06182 -195.08912 509.70861
|
|
1795.0000 -200.83252 -195.70845 5.12406 2.01727 -195.90948 480.79404
|
|
1800.0000 -199.92916 -194.23359 5.69557 2.07823 -194.78710 518.33059
|
|
1805.0000 -199.99357 -194.29672 5.69685 2.08711 -194.62351 536.63358
|
|
1810.0000 -199.49704 -193.70963 5.78741 2.11313 -194.14449 544.73912
|
|
1815.0000 -199.37067 -193.71127 5.65941 2.13028 -193.82872 552.12535
|
|
1820.0000 -199.25334 -193.69668 5.55666 2.15808 -193.31697 571.05377
|
|
1825.0000 -199.33313 -194.11571 5.21742 2.11875 -194.04103 523.80608
|
|
1830.0000 -198.97522 -193.54680 5.42842 2.12680 -193.89279 535.31782
|
|
1835.0000 -198.94920 -194.06847 4.88074 2.13374 -193.76507 527.51701
|
|
1840.0000 -199.60208 -194.56850 5.03359 2.11862 -194.04340 495.15038
|
|
1845.0000 -199.33214 -194.10621 5.22593 2.11202 -194.16498 496.91740
|
|
1850.0000 -198.37856 -192.86136 5.51720 2.16581 -193.17466 536.51135
|
|
1855.0000 -198.39627 -193.07339 5.32287 2.15879 -193.30384 520.15740
|
|
1860.0000 -198.70129 -193.72702 4.97427 2.17149 -193.07009 530.47650
|
|
1865.0000 -200.32800 -194.91495 5.41305 2.11459 -194.11758 521.34449
|
|
1870.0000 -198.75203 -193.73556 5.01647 2.09453 -194.48690 511.79251
|
|
1875.0000 -200.74772 -195.02623 5.72149 2.11781 -194.05838 551.59757
|
|
1880.0000 -200.79907 -195.79056 5.00851 2.05381 -195.23663 500.26840
|
|
1885.0000 -200.24286 -194.93723 5.30562 2.06800 -194.97548 511.37396
|
|
1890.0000 -200.00636 -195.19693 4.80943 2.03860 -195.51662 489.91091
|
|
1895.0000 -200.61242 -194.95748 5.65494 2.03039 -195.66788 484.19929
|
|
1900.0000 -199.82984 -194.50587 5.32397 2.05108 -195.28689 495.31564
|
|
1905.0000 -200.30246 -194.47998 5.82248 2.07757 -194.79923 509.65404
|
|
1910.0000 -199.25778 -193.89052 5.36726 2.08258 -194.70696 505.75276
|
|
1915.0000 -199.12720 -194.27418 4.85302 2.11590 -194.09356 525.29193
|
|
1920.0000 -197.96678 -193.64446 4.32232 2.11889 -194.03843 519.30149
|
|
1925.0000 -199.22254 -194.17546 5.04707 2.13364 -193.76682 542.00133
|
|
1930.0000 -199.62106 -193.59418 6.02688 2.09041 -194.56274 518.53309
|
|
1935.0000 -200.59878 -195.68314 4.91564 2.09798 -194.42338 519.66011
|
|
1940.0000 -199.70702 -194.84018 4.86684 2.03847 -195.51917 474.64109
|
|
1945.0000 -199.25264 -193.39633 5.85631 2.14584 -193.54234 548.64337
|
|
1950.0000 -198.08608 -192.78108 5.30500 2.18162 -192.88352 561.75367
|
|
1955.0000 -199.27539 -194.07327 5.20213 2.15335 -193.40395 538.15406
|
|
1960.0000 -198.64848 -194.31361 4.33487 2.12957 -193.84183 505.72139
|
|
1965.0000 -199.35647 -194.38433 4.97214 2.12109 -193.99793 518.41347
|
|
1970.0000 -200.12046 -194.70068 5.41978 2.14634 -193.53297 528.69027
|
|
1975.0000 -198.95497 -193.88732 5.06765 2.09519 -194.47489 496.15735
|
|
1980.0000 -199.06738 -193.68035 5.38703 2.17627 -192.98210 565.23418
|
|
1985.0000 -199.19253 -194.17877 5.01376 2.09969 -194.39198 479.85419
|
|
1990.0000 -200.14347 -196.14840 3.99507 2.05889 -195.14313 462.30409
|
|
1995.0000 -199.07390 -193.88085 5.19305 2.07552 -194.83686 463.85356
|
|
2000.0000 -199.32355 -194.42721 4.89634 2.12696 -193.88994 500.82858
|
|
MELTING PROCESS: loop number 9 T-loop= 546.00000000000000
|
|
main_MD> interactions number 9 at Temperature= 546.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -4.72576 1.31290 1.30405
|
|
force_rgl> df(natom) 0.92332 -0.96108 -1.61093
|
|
2005.0000 -198.10981 -192.15856 5.95125 2.19682 -192.60367 567.08573
|
|
2010.0000 -199.15492 -193.94459 5.21033 2.19062 -192.71786 562.55343
|
|
2015.0000 -199.48552 -193.66762 5.81789 2.13784 -193.68965 523.62254
|
|
2020.0000 -198.70398 -193.70635 4.99763 2.14670 -193.52637 551.35839
|
|
2025.0000 -198.99540 -192.96019 6.03521 2.20511 -192.45105 590.26134
|
|
2030.0000 -198.07789 -191.88030 6.19759 2.18989 -192.73119 582.74570
|
|
2035.0000 -198.89819 -193.94577 4.95242 2.19146 -192.70242 583.22519
|
|
2040.0000 -199.36737 -194.08316 5.28420 2.12515 -193.92319 493.40790
|
|
2045.0000 -198.34524 -192.83080 5.51443 2.15814 -193.31589 506.32693
|
|
2050.0000 -197.21120 -191.83084 5.38036 2.19974 -192.54987 557.82859
|
|
2055.0000 -198.21037 -192.94665 5.26373 2.24056 -191.79841 574.84890
|
|
2060.0000 -197.29853 -192.01622 5.28231 2.18657 -192.79239 542.83441
|
|
2065.0000 -198.48086 -192.77106 5.70980 2.21853 -192.20389 563.71769
|
|
2070.0000 -198.10411 -193.13111 4.97300 2.18737 -192.77764 545.23332
|
|
2075.0000 -198.20845 -192.50535 5.70310 2.18060 -192.90238 530.71135
|
|
2080.0000 -196.70881 -191.38337 5.32544 2.21185 -192.32700 562.22088
|
|
2085.0000 -198.43164 -192.15664 6.27500 2.24307 -191.75210 578.75733
|
|
2090.0000 -198.33361 -192.16306 6.17055 2.22696 -192.04882 593.31719
|
|
2095.0000 -197.97939 -193.43084 4.54856 2.20693 -192.41751 549.51752
|
|
2100.0000 -198.29244 -192.40667 5.88577 2.17928 -192.92655 527.59743
|
|
2105.0000 -198.43653 -192.70519 5.73135 2.22672 -192.05315 566.31791
|
|
2110.0000 -198.13489 -192.91002 5.22488 2.22433 -192.09712 572.93975
|
|
2115.0000 -197.76468 -192.06596 5.69872 2.22643 -192.05853 571.02911
|
|
2120.0000 -197.57758 -192.23645 5.34113 2.21323 -192.30161 570.53049
|
|
2125.0000 -197.21699 -191.59973 5.61726 2.23647 -191.87364 565.44872
|
|
2130.0000 -196.76972 -191.12616 5.64356 2.27742 -191.11976 602.97611
|
|
2135.0000 -197.86140 -191.76000 6.10140 2.22219 -192.13662 555.71271
|
|
2140.0000 -198.20587 -192.30578 5.90009 2.22740 -192.04069 557.88991
|
|
2145.0000 -198.32395 -192.86281 5.46115 2.22487 -192.08717 562.64648
|
|
2150.0000 -198.41439 -192.48148 5.93290 2.17648 -192.97807 538.68537
|
|
2155.0000 -197.97516 -192.82336 5.15179 2.19265 -192.68051 541.41948
|
|
2160.0000 -198.65377 -192.59833 6.05544 2.15867 -193.30612 522.56718
|
|
2165.0000 -198.43420 -192.46467 5.96952 2.20689 -192.41822 549.86509
|
|
2170.0000 -197.44433 -191.59758 5.84675 2.20010 -192.54326 545.25330
|
|
2175.0000 -198.62605 -193.17599 5.45006 2.18799 -192.76630 532.11796
|
|
2180.0000 -198.69101 -192.77667 5.91434 2.17987 -192.91573 552.18833
|
|
2185.0000 -197.95849 -190.62176 7.33673 2.23420 -191.91548 586.47597
|
|
2190.0000 -198.47107 -192.30510 6.16596 2.28613 -190.95936 610.80873
|
|
2195.0000 -198.65539 -192.59327 6.06212 2.20873 -192.38430 561.79024
|
|
2200.0000 -198.69536 -193.11793 5.57743 2.17206 -193.05944 541.97772
|
|
2205.0000 -198.48853 -192.38771 6.10082 2.16779 -193.13810 559.24770
|
|
2210.0000 -199.60935 -193.78348 5.82587 2.16396 -193.20865 547.58476
|
|
2215.0000 -198.80256 -192.86965 5.93292 2.16570 -193.17671 551.99629
|
|
2220.0000 -199.16950 -193.73354 5.43596 2.15196 -193.42968 519.82605
|
|
2225.0000 -198.86733 -192.31008 6.55725 2.13684 -193.70797 523.95377
|
|
2230.0000 -199.34451 -193.43788 5.90663 2.17681 -192.97211 571.17998
|
|
2235.0000 -199.68334 -194.18018 5.50316 2.12023 -194.01386 549.42719
|
|
2240.0000 -198.96212 -193.34739 5.61473 2.14822 -193.49853 563.86607
|
|
2245.0000 -199.59984 -193.63745 5.96239 2.13741 -193.69749 534.85819
|
|
2250.0000 -199.42325 -193.25519 6.16806 2.16411 -193.20591 549.36201
|
|
MELTING PROCESS: loop number 10 T-loop= 571.00000000000000
|
|
main_MD> interactions number 10 at Temperature= 571.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.27019 1.68200 0.38556
|
|
force_rgl> df(natom) 0.97271 0.72963 -1.08844
|
|
2255.0000 -198.77517 -193.08052 5.69465 2.16024 -193.27717 532.51042
|
|
2260.0000 -197.82986 -191.80921 6.02065 2.20058 -192.53446 574.75375
|
|
2265.0000 -197.27023 -191.28014 5.99009 2.27581 -191.14937 598.56098
|
|
2270.0000 -198.05965 -192.88976 5.16989 2.23515 -191.89804 567.29909
|
|
2275.0000 -198.74296 -191.88328 6.85968 2.22283 -192.12475 569.86236
|
|
2280.0000 -199.53277 -194.39359 5.13919 2.19230 -192.68692 573.35629
|
|
2285.0000 -197.23806 -191.94824 5.28982 2.17615 -192.98421 547.84836
|
|
2290.0000 -198.29410 -192.95453 5.33956 2.24845 -191.65303 589.83056
|
|
2295.0000 -199.08361 -194.01635 5.06726 2.14446 -193.56760 521.74530
|
|
2300.0000 -199.53327 -192.69099 6.84228 2.15620 -193.35161 547.45360
|
|
2305.0000 -197.30670 -192.35041 4.95629 2.21182 -192.32741 553.52224
|
|
2310.0000 -197.47703 -191.23804 6.23899 2.21145 -192.33436 528.64404
|
|
2315.0000 -196.57741 -190.21328 6.36413 2.25804 -191.47652 571.82210
|
|
2320.0000 -197.85963 -191.42519 6.43444 2.30125 -190.68104 613.95633
|
|
2325.0000 -198.26607 -192.21344 6.05263 2.23686 -191.86640 591.00648
|
|
2330.0000 -198.39354 -192.29307 6.10047 2.21597 -192.25108 577.37740
|
|
2335.0000 -198.14057 -192.60835 5.53222 2.21143 -192.33473 564.54852
|
|
2340.0000 -198.57483 -192.27819 6.29664 2.18898 -192.74800 539.93900
|
|
2345.0000 -198.94178 -192.95294 5.98884 2.20138 -192.51972 549.17210
|
|
2350.0000 -197.47396 -192.20790 5.26606 2.18659 -192.79210 555.29317
|
|
2355.0000 -197.72780 -191.73080 5.99700 2.23193 -191.95727 571.31016
|
|
2360.0000 -197.93280 -191.82053 6.11227 2.23091 -191.97605 583.04609
|
|
2365.0000 -198.40453 -191.89499 6.50954 2.25194 -191.58879 585.92676
|
|
2370.0000 -198.03234 -191.60721 6.42512 2.22457 -192.09272 567.86397
|
|
2375.0000 -197.52391 -191.58792 5.93599 2.22780 -192.03333 576.58658
|
|
2380.0000 -197.84498 -192.01496 5.83001 2.24485 -191.71936 575.44286
|
|
2385.0000 -199.04447 -193.65168 5.39278 2.19033 -192.72311 582.21177
|
|
2390.0000 -199.08003 -193.33340 5.74663 2.14859 -193.49160 535.37880
|
|
2395.0000 -198.81069 -192.17049 6.64020 2.21938 -192.18833 582.96142
|
|
2400.0000 -198.97889 -192.11772 6.86117 2.23083 -191.97744 583.98439
|
|
2405.0000 -197.82375 -191.01026 6.81349 2.24009 -191.80693 580.54208
|
|
2410.0000 -196.61129 -190.90175 5.70953 2.29988 -190.70619 620.26213
|
|
2415.0000 -198.38250 -191.63873 6.74377 2.26523 -191.34419 605.77679
|
|
2420.0000 -198.77607 -192.38081 6.39526 2.23180 -191.95956 555.84988
|
|
2425.0000 -198.74326 -193.09312 5.65014 2.19681 -192.60382 573.68405
|
|
2430.0000 -198.11223 -192.25287 5.85936 2.18044 -192.90516 570.39199
|
|
2435.0000 -198.67896 -192.88533 5.79363 2.22202 -192.13962 579.82592
|
|
2440.0000 -198.81652 -193.43401 5.38251 2.17196 -193.06137 537.86100
|
|
2445.0000 -197.10640 -192.02280 5.08360 2.19141 -192.70327 573.42880
|
|
2450.0000 -197.39031 -191.62649 5.76382 2.24198 -191.77218 586.11123
|
|
2455.0000 -197.15548 -191.28222 5.87327 2.25236 -191.58105 578.81885
|
|
2460.0000 -197.94669 -191.62573 6.32096 2.26657 -191.31952 595.49969
|
|
2465.0000 -198.57976 -192.32656 6.25320 2.23048 -191.98385 577.31891
|
|
2470.0000 -198.62838 -192.38542 6.24296 2.18256 -192.86627 559.56221
|
|
2475.0000 -198.36067 -192.72262 5.63805 2.19861 -192.57070 574.03332
|
|
2480.0000 -198.57029 -192.98571 5.58457 2.17943 -192.92392 554.09823
|
|
2485.0000 -198.43982 -193.37874 5.06108 2.19197 -192.69290 571.68376
|
|
2490.0000 -198.39558 -192.75378 5.64180 2.17007 -193.09608 562.26579
|
|
2495.0000 -199.22897 -194.15694 5.07203 2.16036 -193.27491 556.48630
|
|
2500.0000 -198.70781 -193.55895 5.14886 2.15265 -193.41683 556.41625
|
|
MELTING PROCESS: loop number 11 T-loop= 596.00000000000000
|
|
main_MD> interactions number 11 at Temperature= 596.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.09679 -0.79890 0.09371
|
|
force_rgl> df(natom) 3.92292 3.59616 3.30230
|
|
2505.0000 -199.46871 -193.71811 5.75061 2.13551 -193.73237 535.54399
|
|
2510.0000 -200.51004 -194.07815 6.43189 2.11362 -194.13546 533.72649
|
|
2515.0000 -198.89035 -192.69674 6.19361 2.12608 -193.90603 524.20337
|
|
2520.0000 -198.63853 -192.99372 5.64481 2.17104 -193.07830 575.80035
|
|
2525.0000 -198.46046 -192.13513 6.32533 2.19207 -192.69115 594.54611
|
|
2530.0000 -199.52016 -193.44202 6.07815 2.18936 -192.74106 607.21486
|
|
2535.0000 -199.06765 -193.15534 5.91230 2.13332 -193.77279 544.92596
|
|
2540.0000 -198.10070 -191.57702 6.52368 2.22585 -192.06914 585.42056
|
|
2545.0000 -200.06584 -192.92700 7.13884 2.19005 -192.72838 554.81889
|
|
2550.0000 -198.05716 -192.76969 5.28746 2.19267 -192.68011 551.50203
|
|
2555.0000 -197.81434 -191.42182 6.39253 2.22617 -192.06337 562.89310
|
|
2560.0000 -198.04437 -193.27354 4.77082 2.22075 -192.16309 580.46472
|
|
2565.0000 -198.92303 -193.14670 5.77633 2.18219 -192.87295 568.19292
|
|
2570.0000 -198.59565 -193.12600 5.46965 2.17417 -193.02059 549.74872
|
|
2575.0000 -197.95603 -192.51022 5.44580 2.18474 -192.82605 546.14576
|
|
2580.0000 -197.73182 -192.21535 5.51647 2.22339 -192.11445 575.01832
|
|
2585.0000 -197.87747 -191.80446 6.07300 2.20890 -192.38119 571.12191
|
|
2590.0000 -199.70523 -194.44182 5.26341 2.21675 -192.23669 583.85575
|
|
2595.0000 -198.89470 -192.62326 6.27144 2.16870 -193.12143 561.89422
|
|
2600.0000 -198.23166 -192.80341 5.42824 2.22555 -192.07472 602.06429
|
|
2605.0000 -197.45277 -191.84098 5.61179 2.15878 -193.30411 536.07782
|
|
2610.0000 -196.74734 -190.73360 6.01374 2.26032 -191.43451 604.56882
|
|
2615.0000 -197.97447 -192.08826 5.88621 2.25683 -191.49872 589.54460
|
|
2620.0000 -198.38795 -192.34759 6.04037 2.23137 -191.96754 583.56402
|
|
2625.0000 -198.44582 -192.89191 5.55390 2.20761 -192.40492 580.69294
|
|
2630.0000 -198.13223 -192.21301 5.91922 2.20466 -192.45924 588.46374
|
|
2635.0000 -198.83900 -193.80881 5.03019 2.17224 -193.05623 562.54614
|
|
2640.0000 -198.27143 -192.41303 5.85841 2.17286 -193.04484 552.49203
|
|
2645.0000 -198.53946 -192.45376 6.08571 2.19609 -192.61710 585.01039
|
|
2650.0000 -197.59785 -191.76343 5.83443 2.24455 -191.72493 567.10828
|
|
2655.0000 -196.85134 -191.41924 5.43211 2.25015 -191.62177 585.89353
|
|
2660.0000 -198.12098 -191.77190 6.34908 2.24126 -191.78541 596.97083
|
|
2665.0000 -198.57123 -193.44961 5.12162 2.20373 -192.47650 587.53996
|
|
2670.0000 -199.36807 -192.85386 6.51421 2.14912 -193.48190 568.36411
|
|
2675.0000 -197.50862 -192.12401 5.38461 2.21288 -192.30792 584.75600
|
|
2680.0000 -199.18376 -193.10296 6.08081 2.19035 -192.72284 564.73186
|
|
2685.0000 -198.19528 -193.05457 5.14071 2.19124 -192.70634 543.20764
|
|
2690.0000 -196.79243 -191.49120 5.30123 2.20949 -192.37036 538.74984
|
|
2695.0000 -196.94046 -190.96470 5.97576 2.25348 -191.56047 593.45597
|
|
2700.0000 -197.98683 -191.12680 6.86003 2.27702 -191.12711 619.98490
|
|
2705.0000 -196.97401 -191.68697 5.28704 2.26159 -191.41125 604.79669
|
|
2710.0000 -197.03131 -190.90912 6.12218 2.27714 -191.12481 625.57110
|
|
2715.0000 -196.99707 -191.68221 5.31485 2.27285 -191.20387 614.16055
|
|
2720.0000 -197.45983 -190.86685 6.59298 2.31729 -190.38556 624.90473
|
|
2725.0000 -196.53845 -190.39060 6.14785 2.31697 -190.39150 647.93145
|
|
2730.0000 -198.23421 -192.22043 6.01378 2.24651 -191.68878 578.86915
|
|
2735.0000 -197.85938 -191.40869 6.45068 2.26048 -191.43166 597.70759
|
|
2740.0000 -197.03118 -191.16496 5.86622 2.26342 -191.37749 580.30578
|
|
2745.0000 -197.19303 -191.40970 5.78334 2.26260 -191.39260 600.36311
|
|
2750.0000 -198.25861 -191.93421 6.32440 2.22715 -192.04516 581.13899
|
|
MELTING PROCESS: loop number 12 T-loop= 621.00000000000000
|
|
main_MD> interactions number 12 at Temperature= 621.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.74600 3.74569 3.14231
|
|
force_rgl> df(natom) -2.38487 -3.07944 1.76530
|
|
2755.0000 -195.79443 -190.11053 5.68389 2.24078 -191.79427 593.47329
|
|
2760.0000 -198.12275 -190.50387 7.61889 2.33188 -190.11694 662.15895
|
|
2765.0000 -197.74147 -191.44592 6.29555 2.30708 -190.57366 646.57757
|
|
2770.0000 -197.74106 -192.04466 5.69639 2.25012 -191.62230 588.76304
|
|
2775.0000 -196.47215 -190.72797 5.74418 2.27979 -191.07598 597.79025
|
|
2780.0000 -196.59084 -190.96892 5.62192 2.31769 -190.37822 600.56669
|
|
2785.0000 -197.04009 -190.00268 7.03741 2.32588 -190.22758 627.25112
|
|
2790.0000 -197.48827 -190.36545 7.12283 2.31246 -190.47459 635.72405
|
|
2795.0000 -197.67006 -192.05380 5.61625 2.29078 -190.87377 626.17965
|
|
2800.0000 -197.59960 -192.17841 5.42119 2.17790 -192.95204 526.20803
|
|
2805.0000 -196.12864 -189.42182 6.70682 2.29915 -190.71955 614.48564
|
|
2810.0000 -195.03758 -188.14579 6.89179 2.41307 -188.62223 689.95751
|
|
2815.0000 -195.77124 -188.77730 6.99394 2.42787 -188.34964 692.40044
|
|
2820.0000 -196.90885 -189.56950 7.33935 2.37830 -189.26241 656.83383
|
|
2825.0000 -197.47377 -191.79659 5.67717 2.30603 -190.59302 624.71578
|
|
2830.0000 -196.54705 -190.25559 6.29146 2.27107 -191.23658 621.11846
|
|
2835.0000 -196.83897 -188.82880 8.01017 2.35226 -189.74174 672.31622
|
|
2840.0000 -195.92977 -188.78444 7.14533 2.37691 -189.28796 662.84764
|
|
2845.0000 -198.43111 -193.13443 5.29668 2.28492 -190.98157 637.99634
|
|
2850.0000 -197.51349 -191.19542 6.31807 2.21257 -192.31370 585.05158
|
|
2855.0000 -197.15882 -191.22627 5.93255 2.24627 -191.69330 596.94814
|
|
2860.0000 -197.79981 -191.63808 6.16173 2.26065 -191.42848 576.71075
|
|
2865.0000 -197.80080 -190.69836 7.10245 2.25839 -191.47004 603.37650
|
|
2870.0000 -197.17773 -190.34224 6.83549 2.30639 -190.58630 638.79843
|
|
2875.0000 -197.24469 -190.26262 6.98207 2.31750 -190.38170 650.52667
|
|
2880.0000 -197.45233 -189.75578 7.69655 2.34425 -189.88928 639.92711
|
|
2885.0000 -197.12466 -190.51564 6.60902 2.33557 -190.04903 645.04383
|
|
2890.0000 -196.16229 -190.88167 5.28062 2.30536 -190.60521 639.62153
|
|
2895.0000 -196.55916 -190.52991 6.02925 2.30643 -190.58564 607.02534
|
|
2900.0000 -196.03818 -190.13176 5.90642 2.33574 -190.04600 632.35648
|
|
2905.0000 -197.11611 -189.46053 7.65557 2.34132 -189.94315 636.21414
|
|
2910.0000 -196.98760 -190.92133 6.06628 2.34980 -189.78708 655.45065
|
|
2915.0000 -197.16898 -190.22097 6.94802 2.32992 -190.15315 640.54241
|
|
2920.0000 -197.59602 -191.74620 5.84982 2.31068 -190.50744 652.65999
|
|
2925.0000 -197.76635 -191.15732 6.60903 2.24817 -191.65819 602.10069
|
|
2930.0000 -196.83777 -190.99497 5.84280 2.27359 -191.19027 616.97722
|
|
2935.0000 -196.13272 -190.28563 5.84709 2.25810 -191.47544 577.38369
|
|
2940.0000 -197.34338 -191.07345 6.26993 2.28826 -190.92017 619.02757
|
|
2945.0000 -197.62736 -191.70390 5.92346 2.26928 -191.26965 595.52170
|
|
2950.0000 -197.37698 -191.57823 5.79876 2.26335 -191.37879 613.92519
|
|
2955.0000 -197.41266 -191.38050 6.03216 2.23194 -191.95697 570.96175
|
|
2960.0000 -197.37305 -190.71142 6.66163 2.27702 -191.12710 613.15505
|
|
2965.0000 -196.98644 -189.72494 7.26149 2.29563 -190.78439 638.94396
|
|
2970.0000 -197.16495 -191.28087 5.88408 2.26075 -191.42662 600.93467
|
|
2975.0000 -196.05856 -189.21429 6.84428 2.34099 -189.94935 648.67102
|
|
2980.0000 -196.19667 -189.81430 6.38237 2.35137 -189.75812 644.31556
|
|
2985.0000 -197.67633 -191.12446 6.55187 2.29916 -190.71944 616.27513
|
|
2990.0000 -197.01455 -190.98869 6.02586 2.28795 -190.92588 601.99446
|
|
2995.0000 -197.72582 -191.54329 6.18253 2.23033 -191.98673 553.37777
|
|
3000.0000 -197.32466 -192.03651 5.28816 2.27437 -191.17593 607.57025
|
|
MELTING PROCESS: loop number 13 T-loop= 646.00000000000000
|
|
main_MD> interactions number 13 at Temperature= 646.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.92379 -1.62504 0.04457
|
|
force_rgl> df(natom) -0.23354 0.69160 -0.37000
|
|
3005.0000 -197.32347 -189.58926 7.73420 2.31646 -190.40102 628.60455
|
|
3010.0000 -197.40698 -190.12720 7.27978 2.33373 -190.08292 660.03259
|
|
3015.0000 -195.78765 -190.76682 5.02083 2.28836 -190.91836 629.03226
|
|
3020.0000 -198.59686 -192.18115 6.41570 2.24278 -191.75754 596.41793
|
|
3025.0000 -197.05550 -191.07501 5.98049 2.23352 -191.92791 562.55227
|
|
3030.0000 -197.08983 -190.17549 6.91434 2.31953 -190.34434 616.64963
|
|
3035.0000 -197.89433 -191.71269 6.18164 2.28883 -190.90972 608.29078
|
|
3040.0000 -198.32949 -191.92330 6.40619 2.25423 -191.54662 594.27590
|
|
3045.0000 -195.65721 -189.65000 6.00720 2.28510 -190.97823 626.39614
|
|
3050.0000 -196.51174 -190.24552 6.26622 2.31390 -190.44814 651.22094
|
|
3055.0000 -197.05111 -190.34046 6.71065 2.31809 -190.37099 643.99249
|
|
3060.0000 -198.06475 -191.86249 6.20226 2.27505 -191.16343 629.41783
|
|
3065.0000 -196.79688 -190.47409 6.32279 2.28004 -191.07139 613.48505
|
|
3070.0000 -197.29551 -189.70031 7.59520 2.36698 -189.47084 680.82899
|
|
3075.0000 -196.20428 -189.13484 7.06944 2.38825 -189.07914 677.34777
|
|
3080.0000 -196.81510 -190.10814 6.70695 2.35339 -189.72098 668.18342
|
|
3085.0000 -197.29883 -190.79551 6.50332 2.30905 -190.53735 635.72727
|
|
3090.0000 -196.72098 -189.48193 7.23905 2.35265 -189.73470 669.25240
|
|
3095.0000 -195.43007 -188.27542 7.15465 2.41829 -188.52604 713.51172
|
|
3100.0000 -196.80102 -189.89577 6.90525 2.35120 -189.76138 646.14860
|
|
3105.0000 -196.51053 -190.09721 6.41332 2.33851 -189.99492 655.01011
|
|
3110.0000 -197.73506 -191.54039 6.19468 2.31001 -190.51969 637.18508
|
|
3115.0000 -198.70970 -193.59875 5.11095 2.22102 -192.15812 591.84752
|
|
3120.0000 -199.67764 -193.11618 6.56146 2.17158 -193.06833 565.99191
|
|
3125.0000 -197.45236 -190.56132 6.89104 2.25035 -191.61805 613.69421
|
|
3130.0000 -196.12994 -190.10700 6.02294 2.28956 -190.89625 611.70068
|
|
3135.0000 -197.53401 -191.07273 6.46128 2.32263 -190.28735 650.58137
|
|
3140.0000 -195.94945 -189.92518 6.02427 2.34702 -189.83829 654.13349
|
|
3145.0000 -196.14238 -190.14437 5.99801 2.36250 -189.55335 669.97497
|
|
3150.0000 -197.08063 -190.97564 6.10499 2.28559 -190.96928 602.47867
|
|
3155.0000 -196.54031 -189.51391 7.02640 2.33821 -190.00049 627.38818
|
|
3160.0000 -196.25467 -190.24501 6.00966 2.34465 -189.88193 640.85581
|
|
3165.0000 -196.74368 -190.67981 6.06387 2.33496 -190.06041 621.33394
|
|
3170.0000 -196.38288 -188.48147 7.90141 2.32754 -190.19694 620.47854
|
|
3175.0000 -195.55355 -189.60057 5.95298 2.36728 -189.46527 662.91981
|
|
3180.0000 -196.19733 -189.42560 6.77174 2.38393 -189.15878 676.54525
|
|
3185.0000 -196.57077 -189.85376 6.71701 2.38099 -189.21288 659.68476
|
|
3190.0000 -196.89222 -190.11276 6.77947 2.37288 -189.36221 666.60882
|
|
3195.0000 -196.45635 -190.27082 6.18554 2.35138 -189.75794 665.78205
|
|
3200.0000 -197.10427 -190.58395 6.52032 2.28458 -190.98793 621.74866
|
|
3205.0000 -196.61071 -188.86503 7.74568 2.35649 -189.66398 681.62151
|
|
3210.0000 -196.03849 -188.63603 7.40246 2.37155 -189.38666 680.36519
|
|
3215.0000 -196.01699 -189.24845 6.76855 2.38489 -189.14110 681.90538
|
|
3220.0000 -194.71454 -188.40436 6.31018 2.37405 -189.34056 661.46704
|
|
3225.0000 -197.86037 -191.02898 6.83139 2.36184 -189.56551 643.29146
|
|
3230.0000 -196.34493 -190.16793 6.17701 2.30696 -190.57592 612.74840
|
|
3235.0000 -197.44363 -191.99836 5.44527 2.27278 -191.20505 597.23086
|
|
3240.0000 -197.10882 -189.70698 7.40184 2.29928 -190.71719 648.71431
|
|
3245.0000 -195.99781 -190.23744 5.76036 2.30567 -190.59953 638.98600
|
|
3250.0000 -198.00279 -192.08827 5.91452 2.28542 -190.97246 639.40606
|
|
MELTING PROCESS: loop number 14 T-loop= 671.00000000000000
|
|
main_MD> interactions number 14 at Temperature= 671.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.39343 0.42639 -0.88436
|
|
force_rgl> df(natom) -1.77538 -1.70585 -2.67471
|
|
3255.0000 -197.96654 -190.59683 7.36971 2.27045 -191.24806 620.79136
|
|
3260.0000 -197.19421 -191.35707 5.83714 2.33264 -190.10310 644.61547
|
|
3265.0000 -195.18650 -187.47432 7.71217 2.35028 -189.77831 665.51606
|
|
3270.0000 -194.64623 -187.38527 7.26096 2.45847 -187.78634 712.36276
|
|
3275.0000 -196.20280 -189.38156 6.82123 2.43175 -188.27837 714.29281
|
|
3280.0000 -195.54780 -188.72003 6.82777 2.35660 -189.66199 666.38393
|
|
3285.0000 -196.86408 -189.59570 7.26839 2.37587 -189.30716 674.44878
|
|
3290.0000 -195.96033 -189.48839 6.47194 2.35404 -189.70901 654.92051
|
|
3295.0000 -195.75624 -189.61581 6.14043 2.34868 -189.80774 646.90109
|
|
3300.0000 -196.21638 -189.70026 6.51611 2.36776 -189.45643 664.30520
|
|
3305.0000 -195.84481 -189.97138 5.87342 2.34560 -189.86442 643.17272
|
|
3310.0000 -196.39237 -189.82300 6.56937 2.34601 -189.85688 640.16873
|
|
3315.0000 -197.13528 -190.17443 6.96085 2.34229 -189.92542 630.19134
|
|
3320.0000 -196.29723 -189.79542 6.50181 2.33156 -190.12299 651.87863
|
|
3325.0000 -196.73192 -190.71091 6.02101 2.30910 -190.53647 617.14867
|
|
3330.0000 -196.06752 -189.01024 7.05729 2.36513 -189.50484 650.60569
|
|
3335.0000 -196.30293 -188.73462 7.56831 2.40403 -188.78867 714.20117
|
|
3340.0000 -196.82473 -189.37619 7.44854 2.30466 -190.61822 608.33967
|
|
3345.0000 -195.97375 -189.80871 6.16504 2.35603 -189.67235 659.05063
|
|
3350.0000 -196.44817 -189.98146 6.46671 2.32378 -190.26621 643.60118
|
|
3355.0000 -196.26753 -189.84229 6.42524 2.32206 -190.29777 627.83272
|
|
3360.0000 -195.38382 -187.63783 7.74600 2.41802 -188.53101 703.85317
|
|
3365.0000 -195.37414 -187.73158 7.64256 2.44228 -188.08443 726.90150
|
|
3370.0000 -196.51058 -188.68084 7.82974 2.44731 -187.99180 743.12231
|
|
3375.0000 -196.40999 -189.02532 7.38467 2.42548 -188.39374 697.54117
|
|
3380.0000 -194.13710 -187.24305 6.89405 2.46938 -187.58551 728.19986
|
|
3385.0000 -194.70863 -187.24477 7.46386 2.45074 -187.92873 730.79438
|
|
3390.0000 -194.61771 -187.02580 7.59191 2.49785 -187.06136 763.00313
|
|
3395.0000 -196.01962 -187.94427 8.07535 2.48809 -187.24098 740.40170
|
|
3400.0000 -196.40484 -190.15753 6.24731 2.40067 -188.85044 683.59474
|
|
3405.0000 -195.91162 -188.94820 6.96342 2.38562 -189.12756 684.68710
|
|
3410.0000 -196.74998 -189.64939 7.10060 2.40037 -188.85605 710.31722
|
|
3415.0000 -196.65404 -189.71783 6.93621 2.33129 -190.12785 662.38994
|
|
3420.0000 -194.77191 -187.15786 7.61406 2.41857 -188.52093 674.38850
|
|
3425.0000 -195.62430 -188.94166 6.68264 2.45626 -187.82710 725.68535
|
|
3430.0000 -196.36062 -189.73147 6.62915 2.35605 -189.67209 658.59146
|
|
3435.0000 -196.76520 -189.49973 7.26547 2.31892 -190.35557 623.92138
|
|
3440.0000 -195.89906 -188.72375 7.17531 2.41165 -188.64844 692.00945
|
|
3445.0000 -196.44460 -190.06177 6.38283 2.38007 -189.22982 679.91954
|
|
3450.0000 -196.22803 -188.71059 7.51744 2.36878 -189.43762 663.99178
|
|
3455.0000 -196.22046 -190.57461 5.64585 2.33122 -190.12926 654.00889
|
|
3460.0000 -195.03657 -188.57408 6.46249 2.36832 -189.44617 680.71706
|
|
3465.0000 -195.66357 -188.58453 7.07904 2.39539 -188.94782 675.75725
|
|
3470.0000 -196.53308 -189.79668 6.73640 2.36447 -189.51693 679.67125
|
|
3475.0000 -196.59974 -189.28460 7.31514 2.37382 -189.34492 691.88136
|
|
3480.0000 -195.95466 -189.14949 6.80517 2.37776 -189.27230 665.70533
|
|
3485.0000 -195.90664 -189.01795 6.88869 2.35195 -189.74756 642.73615
|
|
3490.0000 -194.49182 -187.49836 6.99346 2.40316 -188.80466 650.14047
|
|
3495.0000 -195.50094 -187.93575 7.56519 2.50596 -186.91191 764.10542
|
|
3500.0000 -196.20490 -189.56917 6.63574 2.42364 -188.42767 710.04216
|
|
MELTING PROCESS: loop number 15 T-loop= 696.00000000000000
|
|
main_MD> interactions number 15 at Temperature= 696.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 4.25214 0.57341 1.92932
|
|
force_rgl> df(natom) -0.27541 1.04187 -1.59413
|
|
3505.0000 -197.12558 -190.71093 6.41465 2.34740 -189.83120 672.64670
|
|
3510.0000 -196.62005 -190.72624 5.89381 2.27436 -191.17611 622.69564
|
|
3515.0000 -195.71905 -187.69444 8.02461 2.40916 -188.69419 689.34881
|
|
3520.0000 -194.55424 -188.63812 5.91612 2.43388 -188.23911 694.68417
|
|
3525.0000 -197.06988 -189.31450 7.75538 2.44160 -188.09697 709.32972
|
|
3530.0000 -194.44306 -188.21573 6.22733 2.39397 -188.97391 673.92239
|
|
3535.0000 -194.67803 -188.04838 6.62965 2.45069 -187.92958 712.15401
|
|
3540.0000 -195.51923 -188.04485 7.47439 2.46465 -187.67261 752.57024
|
|
3545.0000 -195.94385 -188.64150 7.30235 2.41519 -188.58311 695.78362
|
|
3550.0000 -195.95164 -189.98270 5.96893 2.41943 -188.50505 681.57105
|
|
3555.0000 -196.14890 -188.86331 7.28559 2.35416 -189.70687 660.54545
|
|
3560.0000 -196.22358 -188.70304 7.52054 2.40162 -188.83307 679.35486
|
|
3565.0000 -196.16759 -187.89428 8.27331 2.40031 -188.85718 699.07589
|
|
3570.0000 -193.40679 -186.56560 6.84119 2.47779 -187.43055 710.39098
|
|
3575.0000 -195.44000 -188.32986 7.11014 2.45302 -187.88660 725.63077
|
|
3580.0000 -195.70304 -188.48753 7.21550 2.40251 -188.81660 687.47793
|
|
3585.0000 -195.93191 -189.29076 6.64115 2.38584 -189.12355 672.20507
|
|
3590.0000 -194.23071 -187.81653 6.41418 2.41862 -188.52005 690.14437
|
|
3595.0000 -195.34919 -188.08022 7.26897 2.39090 -189.03035 672.53659
|
|
3600.0000 -196.64591 -189.15724 7.48867 2.40083 -188.84759 693.27454
|
|
3605.0000 -196.95983 -190.43493 6.52490 2.35512 -189.68918 655.29155
|
|
3610.0000 -196.27796 -189.74301 6.53495 2.36259 -189.55164 669.80723
|
|
3615.0000 -195.29280 -188.37863 6.91418 2.39953 -188.87155 666.47284
|
|
3620.0000 -196.53422 -188.78729 7.74692 2.40474 -188.77553 690.76404
|
|
3625.0000 -194.95596 -187.44945 7.50652 2.46177 -187.72566 713.07113
|
|
3630.0000 -197.19637 -189.75855 7.43781 2.39879 -188.88518 684.05258
|
|
3635.0000 -195.87148 -189.31623 6.55525 2.33392 -190.07948 633.14846
|
|
3640.0000 -196.37309 -190.84382 5.52927 2.35021 -189.77964 663.05356
|
|
3645.0000 -196.75999 -190.43519 6.32480 2.32756 -190.19655 631.90218
|
|
3650.0000 -196.48273 -189.50235 6.98037 2.35779 -189.63997 665.70524
|
|
3655.0000 -195.94940 -189.07934 6.87006 2.39971 -188.86827 714.76305
|
|
3660.0000 -194.84290 -188.29496 6.54794 2.42100 -188.47623 721.28788
|
|
3665.0000 -195.79147 -187.67732 8.11415 2.44839 -187.97192 734.34429
|
|
3670.0000 -196.43596 -189.41374 7.02222 2.42067 -188.48234 722.36390
|
|
3675.0000 -194.92783 -188.59967 6.32816 2.39636 -188.92983 708.51235
|
|
3680.0000 -195.16608 -188.64519 6.52089 2.45181 -187.90904 696.40949
|
|
3685.0000 -196.52011 -187.84711 8.67300 2.42783 -188.35043 718.62195
|
|
3690.0000 -196.67863 -189.58439 7.09424 2.37954 -189.23961 672.91701
|
|
3695.0000 -196.16803 -189.94596 6.22208 2.35927 -189.61281 675.48054
|
|
3700.0000 -196.93119 -188.33602 8.59517 2.38233 -189.18817 697.23440
|
|
3705.0000 -195.48178 -188.20939 7.27238 2.43539 -188.21123 733.31808
|
|
3710.0000 -196.31563 -189.24854 7.06709 2.42923 -188.32473 695.76998
|
|
3715.0000 -195.29123 -187.71894 7.57229 2.40504 -188.77002 666.70291
|
|
3720.0000 -196.06862 -188.73125 7.33737 2.42173 -188.46269 680.74557
|
|
3725.0000 -194.98687 -187.65264 7.33424 2.46083 -187.74281 728.68282
|
|
3730.0000 -194.73000 -188.23195 6.49805 2.43661 -188.18884 724.15388
|
|
3735.0000 -194.96347 -187.18451 7.77897 2.47869 -187.41411 735.00842
|
|
3740.0000 -195.73586 -188.53953 7.19632 2.43142 -188.28433 715.14869
|
|
3745.0000 -196.79028 -189.14868 7.64160 2.42361 -188.42810 708.07762
|
|
3750.0000 -195.21743 -187.89926 7.31816 2.42420 -188.41727 692.27459
|
|
MELTING PROCESS: loop number 16 T-loop= 721.00000000000000
|
|
main_MD> interactions number 16 at Temperature= 721.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.03739 -0.26423 -1.66363
|
|
force_rgl> df(natom) -0.33100 0.81646 -2.08623
|
|
3755.0000 -194.95943 -187.41438 7.54506 2.45032 -187.93637 707.98072
|
|
3760.0000 -195.42766 -187.80244 7.62522 2.49760 -187.06584 725.29386
|
|
3765.0000 -195.71318 -187.64128 8.07190 2.48025 -187.38527 760.74249
|
|
3770.0000 -193.32408 -186.38558 6.93850 2.52981 -186.47279 769.85899
|
|
3775.0000 -193.97609 -187.02880 6.94729 2.46721 -187.62546 709.13531
|
|
3780.0000 -195.26196 -188.67488 6.58708 2.41542 -188.57894 688.58421
|
|
3785.0000 -195.01045 -187.05717 7.95328 2.46034 -187.75188 706.55721
|
|
3790.0000 -195.59311 -188.20067 7.39244 2.49641 -187.08789 757.19124
|
|
3795.0000 -196.12350 -188.71614 7.40736 2.38190 -189.19614 678.40766
|
|
3800.0000 -194.29370 -185.95273 8.34097 2.47508 -187.48045 739.03613
|
|
3805.0000 -195.36047 -187.07262 8.28784 2.53865 -186.31021 750.73782
|
|
3810.0000 -195.40876 -188.41863 6.99013 2.48289 -187.33672 744.32807
|
|
3815.0000 -194.77644 -187.61794 7.15850 2.45256 -187.89513 733.21890
|
|
3820.0000 -195.25958 -187.20371 8.05587 2.45531 -187.84454 710.36427
|
|
3825.0000 -195.43588 -188.48259 6.95329 2.44107 -188.10677 706.43743
|
|
3830.0000 -195.41981 -189.08103 6.33879 2.39342 -188.98405 683.11947
|
|
3835.0000 -195.88850 -188.78594 7.10256 2.40170 -188.83163 692.00940
|
|
3840.0000 -196.44714 -188.05388 8.39327 2.41560 -188.57560 723.32277
|
|
3845.0000 -195.58898 -188.68904 6.89994 2.46995 -187.57496 731.89733
|
|
3850.0000 -196.61381 -190.31555 6.29826 2.35207 -189.74524 659.59210
|
|
3855.0000 -196.07664 -190.06978 6.00686 2.33429 -190.07260 633.21832
|
|
3860.0000 -196.64584 -190.30209 6.34375 2.33588 -190.04341 625.38631
|
|
3865.0000 -195.84547 -189.32955 6.51592 2.33790 -190.00615 646.95962
|
|
3870.0000 -195.30797 -188.06542 7.24255 2.41485 -188.58944 697.63294
|
|
3875.0000 -195.23676 -187.87498 7.36178 2.45304 -187.88625 746.73637
|
|
3880.0000 -194.55928 -188.31986 6.23942 2.47735 -187.43872 767.82589
|
|
3885.0000 -195.70327 -189.48867 6.21459 2.41262 -188.63059 689.35734
|
|
3890.0000 -195.51173 -189.04807 6.46367 2.34726 -189.83391 641.67998
|
|
3895.0000 -195.49122 -187.70987 7.78135 2.43653 -188.19036 706.05890
|
|
3900.0000 -195.92897 -188.22720 7.70177 2.43500 -188.21846 704.33417
|
|
3905.0000 -196.19189 -188.09593 8.09596 2.45475 -187.85485 742.78933
|
|
3910.0000 -196.67995 -188.96339 7.71656 2.38532 -189.13306 681.19636
|
|
3915.0000 -195.29858 -187.96229 7.33629 2.43425 -188.23223 723.51416
|
|
3920.0000 -193.46482 -186.44926 7.01556 2.49731 -187.07117 737.33868
|
|
3925.0000 -194.16527 -186.38057 7.78470 2.55095 -186.08360 762.04089
|
|
3930.0000 -193.62630 -185.76495 7.86134 2.56193 -185.88144 776.80477
|
|
3935.0000 -194.07859 -186.96033 7.11826 2.52361 -186.58702 745.44167
|
|
3940.0000 -195.08759 -187.69411 7.39348 2.48657 -187.26898 732.12330
|
|
3945.0000 -196.15676 -189.09463 7.06213 2.40738 -188.72691 708.34488
|
|
3950.0000 -194.42803 -186.87297 7.55505 2.39719 -188.91450 657.22794
|
|
3955.0000 -195.59967 -189.19822 6.40146 2.47816 -187.42379 733.75615
|
|
3960.0000 -194.17073 -187.53940 6.63133 2.41701 -188.54975 690.88825
|
|
3965.0000 -194.92823 -187.80356 7.12467 2.46962 -187.58103 726.18596
|
|
3970.0000 -194.52218 -187.38429 7.13789 2.46041 -187.75063 729.63824
|
|
3975.0000 -197.31102 -188.80461 8.50642 2.43563 -188.20682 728.54949
|
|
3980.0000 -196.09663 -188.24936 7.84727 2.40891 -188.69880 712.56632
|
|
3985.0000 -194.19319 -188.28010 5.91309 2.40975 -188.68343 686.72477
|
|
3990.0000 -193.47176 -186.01395 7.45781 2.51401 -186.76369 746.37322
|
|
3995.0000 -195.51699 -187.88336 7.63363 2.48682 -187.26436 743.12190
|
|
4000.0000 -195.40563 -188.14270 7.26293 2.44956 -187.95045 708.42724
|
|
MELTING PROCESS: loop number 17 T-loop= 746.00000000000000
|
|
main_MD> interactions number 17 at Temperature= 746.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.58330 -1.36979 -1.38696
|
|
force_rgl> df(natom) -1.05288 -1.91752 0.74332
|
|
4005.0000 -194.19686 -186.43081 7.76605 2.50459 -186.93722 758.99990
|
|
4010.0000 -194.50977 -187.38295 7.12682 2.50588 -186.91346 750.68920
|
|
4015.0000 -193.55417 -186.58381 6.97036 2.49221 -187.16517 722.30483
|
|
4020.0000 -195.20286 -186.69275 8.51011 2.47129 -187.55027 716.17082
|
|
4025.0000 -194.95626 -186.95264 8.00362 2.49791 -187.06024 751.72430
|
|
4030.0000 -193.83961 -186.68125 7.15836 2.54065 -186.27339 794.73545
|
|
4035.0000 -195.54502 -187.60935 7.93567 2.47650 -187.45434 741.63099
|
|
4040.0000 -195.09950 -187.25590 7.84360 2.44249 -188.08054 720.96260
|
|
4045.0000 -195.91863 -188.51107 7.40756 2.44992 -187.94385 723.39983
|
|
4050.0000 -197.68677 -190.36901 7.31777 2.34725 -189.83410 644.20838
|
|
4055.0000 -195.10380 -189.34020 5.76359 2.35527 -189.68631 680.18370
|
|
4060.0000 -195.44039 -187.87688 7.56351 2.40312 -188.80543 686.49392
|
|
4065.0000 -195.66779 -187.41597 8.25181 2.44017 -188.12330 718.42460
|
|
4070.0000 -194.17636 -186.18463 7.99173 2.47510 -187.48015 724.37960
|
|
4075.0000 -194.50678 -185.47170 9.03509 2.57974 -185.55358 789.27483
|
|
4080.0000 -194.29407 -186.41875 7.87532 2.54995 -186.10199 784.68870
|
|
4085.0000 -195.40915 -188.31685 7.09230 2.48929 -187.21887 737.42510
|
|
4090.0000 -193.78367 -186.60528 7.17839 2.48489 -187.29988 725.90632
|
|
4095.0000 -193.03833 -185.77773 7.26060 2.57041 -185.72541 791.18503
|
|
4100.0000 -195.47750 -187.87837 7.59913 2.49466 -187.12011 739.29134
|
|
4105.0000 -194.55331 -187.33466 7.21864 2.47714 -187.44263 736.05848
|
|
4110.0000 -195.70784 -187.57780 8.13003 2.45164 -187.91216 723.97879
|
|
4115.0000 -194.77922 -187.81584 6.96338 2.43834 -188.15703 732.67313
|
|
4120.0000 -193.20924 -185.73708 7.47216 2.47769 -187.43245 716.89237
|
|
4125.0000 -193.86454 -185.54730 8.31725 2.55280 -186.04962 781.05940
|
|
4130.0000 -195.31163 -186.79324 8.51839 2.62327 -184.75218 823.94161
|
|
4135.0000 -195.39922 -188.00546 7.39376 2.48270 -187.34027 744.99493
|
|
4140.0000 -194.95287 -186.56162 8.39125 2.45349 -187.87794 732.97132
|
|
4145.0000 -193.89971 -185.48661 8.41310 2.52975 -186.47393 755.94217
|
|
4150.0000 -196.28009 -189.32798 6.95211 2.46540 -187.65876 733.69618
|
|
4155.0000 -195.88524 -189.06561 6.81963 2.37419 -189.33803 685.16743
|
|
4160.0000 -196.39176 -189.78328 6.60848 2.34828 -189.81504 654.51749
|
|
4165.0000 -196.10086 -189.12968 6.97118 2.40198 -188.82647 689.00420
|
|
4170.0000 -194.93445 -188.72283 6.21162 2.39441 -188.96577 687.51213
|
|
4175.0000 -196.60273 -189.16181 7.44092 2.44300 -188.07112 729.93529
|
|
4180.0000 -196.20861 -189.78005 6.42856 2.36112 -189.57861 665.32122
|
|
4185.0000 -194.79569 -187.86739 6.92830 2.40965 -188.68521 701.48725
|
|
4190.0000 -193.44034 -185.10004 8.34031 2.52766 -186.51239 735.92424
|
|
4195.0000 -194.65822 -185.91900 8.73922 2.57024 -185.72858 764.27601
|
|
4200.0000 -193.81461 -185.88277 7.93184 2.53960 -186.29255 759.52093
|
|
4205.0000 -196.07729 -187.60446 8.47283 2.48394 -187.31734 706.33406
|
|
4210.0000 -195.59049 -188.52719 7.06330 2.41745 -188.54158 687.75150
|
|
4215.0000 -195.66839 -189.10314 6.56525 2.40509 -188.76907 708.03814
|
|
4220.0000 -194.72420 -187.70596 7.01824 2.46457 -187.67405 754.46805
|
|
4225.0000 -195.85274 -188.95675 6.89599 2.45943 -187.76865 742.53250
|
|
4230.0000 -195.45997 -188.26480 7.19517 2.42151 -188.46689 705.96233
|
|
4235.0000 -194.98893 -187.98522 7.00372 2.45255 -187.89533 734.82625
|
|
4240.0000 -194.04120 -186.63363 7.40758 2.49451 -187.12276 737.89555
|
|
4245.0000 -195.12067 -188.01462 7.10604 2.45043 -187.93438 730.51760
|
|
4250.0000 -194.52494 -188.03671 6.48823 2.46818 -187.60750 726.22878
|
|
MELTING PROCESS: loop number 18 T-loop= 771.00000000000000
|
|
main_MD> interactions number 18 at Temperature= 771.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.41947 4.89122 -0.24684
|
|
force_rgl> df(natom) 0.92832 2.91140 -0.35205
|
|
4255.0000 -195.84088 -188.08662 7.75426 2.46248 -187.71260 752.07327
|
|
4260.0000 -194.58146 -188.03978 6.54168 2.47418 -187.49715 727.68669
|
|
4265.0000 -194.73455 -187.94107 6.79348 2.43861 -188.15194 713.44808
|
|
4270.0000 -194.91490 -188.35042 6.56448 2.44548 -188.02559 703.93362
|
|
4275.0000 -194.51077 -186.29777 8.21300 2.50010 -187.01987 740.56103
|
|
4280.0000 -192.62024 -184.48555 8.13469 2.56934 -185.74506 800.78576
|
|
4285.0000 -194.84534 -187.31996 7.52538 2.58182 -185.51534 808.38745
|
|
4290.0000 -193.60416 -186.01988 7.58428 2.53858 -186.31136 785.76549
|
|
4295.0000 -192.17629 -184.68145 7.49484 2.57788 -185.58782 787.09043
|
|
4300.0000 -192.56921 -184.71587 7.85334 2.57215 -185.69327 785.27608
|
|
4305.0000 -193.18937 -184.36516 8.82421 2.61134 -184.97188 815.83156
|
|
4310.0000 -194.21868 -186.55349 7.66520 2.59730 -185.23025 815.74391
|
|
4315.0000 -194.08937 -186.26060 7.82877 2.57924 -185.56289 800.39249
|
|
4320.0000 -192.63366 -185.05500 7.57866 2.62879 -184.65044 822.11895
|
|
4325.0000 -193.70968 -185.77917 7.93051 2.56505 -185.82398 783.42636
|
|
4330.0000 -194.06069 -186.79070 7.26999 2.51649 -186.71812 751.41853
|
|
4335.0000 -193.92165 -186.85058 7.07107 2.51099 -186.81938 752.42815
|
|
4340.0000 -193.88554 -186.96490 6.92064 2.51718 -186.70543 750.39237
|
|
4345.0000 -194.89681 -186.47693 8.41988 2.56681 -185.79158 796.53269
|
|
4350.0000 -193.62879 -186.17408 7.45470 2.52677 -186.52890 766.88395
|
|
4355.0000 -192.48467 -184.54236 7.94231 2.56667 -185.79424 766.86028
|
|
4360.0000 -193.89090 -184.77720 9.11369 2.63659 -184.50696 837.31111
|
|
4365.0000 -191.96904 -183.38023 8.58881 2.61747 -184.85890 807.90375
|
|
4370.0000 -192.50534 -183.81111 8.69423 2.67110 -183.87156 857.40635
|
|
4375.0000 -192.91501 -184.41235 8.50266 2.69400 -183.45000 871.41317
|
|
4380.0000 -194.09023 -186.24378 7.84645 2.62855 -184.65494 830.44173
|
|
4385.0000 -194.23911 -185.89187 8.34724 2.53948 -186.29485 746.98892
|
|
4390.0000 -193.53314 -184.22522 9.30792 2.60545 -185.08016 784.36749
|
|
4395.0000 -193.46389 -184.72198 8.74191 2.65233 -184.21714 849.44768
|
|
4400.0000 -194.37687 -184.39828 9.97859 2.67028 -183.88661 850.66918
|
|
4405.0000 -192.41364 -183.84606 8.56759 2.65679 -184.13497 865.18308
|
|
4410.0000 -194.33421 -186.27371 8.06050 2.58724 -185.41548 795.09820
|
|
4415.0000 -194.03589 -185.78417 8.25171 2.50272 -186.97156 748.60823
|
|
4420.0000 -195.88616 -187.88218 8.00398 2.55084 -186.08563 799.88196
|
|
4425.0000 -196.14846 -187.93560 8.21287 2.43147 -188.28348 696.88735
|
|
4430.0000 -195.50759 -188.78120 6.72639 2.47691 -187.44680 740.80959
|
|
4435.0000 -194.37740 -187.66169 6.71572 2.42576 -188.38859 691.78565
|
|
4440.0000 -194.83387 -186.56471 8.26916 2.47117 -187.55249 734.05094
|
|
4445.0000 -195.83909 -188.14612 7.69297 2.47793 -187.42803 733.85080
|
|
4450.0000 -193.77878 -185.35409 8.42469 2.52343 -186.59042 779.92642
|
|
4455.0000 -193.89637 -184.90748 8.98890 2.57316 -185.67473 803.26503
|
|
4460.0000 -195.08513 -186.86317 8.22197 2.55061 -186.08990 790.22125
|
|
4465.0000 -194.23825 -185.47723 8.76101 2.55405 -186.02653 794.77332
|
|
4470.0000 -194.04873 -186.54311 7.50562 2.54532 -186.18725 790.51569
|
|
4475.0000 -193.71929 -186.75335 6.96593 2.50403 -186.94759 763.23698
|
|
4480.0000 -196.43673 -188.70864 7.72809 2.48374 -187.32114 742.18894
|
|
4485.0000 -196.31174 -188.58673 7.72501 2.42535 -188.39608 707.97515
|
|
4490.0000 -195.76276 -187.53579 8.22697 2.41575 -188.57294 704.49491
|
|
4495.0000 -192.62662 -185.34388 7.28274 2.51091 -186.82088 762.93534
|
|
4500.0000 -193.53448 -186.70895 6.82553 2.54843 -186.13007 779.67747
|
|
MELTING PROCESS: loop number 19 T-loop= 796.00000000000000
|
|
main_MD> interactions number 19 at Temperature= 796.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.22415 -2.37822 0.55984
|
|
force_rgl> df(natom) 0.18426 -2.40872 -0.81088
|
|
4505.0000 -194.06401 -186.40253 7.66148 2.52898 -186.48820 780.82591
|
|
4510.0000 -193.24183 -186.77239 6.46944 2.50279 -186.97041 749.93974
|
|
4515.0000 -195.43202 -187.21640 8.21562 2.46998 -187.57451 724.65389
|
|
4520.0000 -193.43751 -186.03529 7.40223 2.51159 -186.80827 760.65222
|
|
4525.0000 -194.12350 -185.28111 8.84239 2.57138 -185.70761 805.99465
|
|
4530.0000 -193.59262 -185.74743 7.84519 2.59986 -185.18318 811.93413
|
|
4535.0000 -192.89117 -185.01446 7.87671 2.59362 -185.29813 797.97442
|
|
4540.0000 -193.12244 -186.03814 7.08430 2.54577 -186.17899 775.06867
|
|
4545.0000 -194.03763 -186.89932 7.13831 2.54501 -186.19300 773.69525
|
|
4550.0000 -194.17432 -185.41192 8.76241 2.55506 -186.00807 818.79293
|
|
4555.0000 -192.81531 -184.54637 8.26894 2.63560 -184.52511 844.57112
|
|
4560.0000 -193.13717 -183.66843 9.46873 2.64350 -184.37972 846.16672
|
|
4565.0000 -193.22252 -184.06582 9.15670 2.64829 -184.29146 849.11734
|
|
4570.0000 -192.83975 -184.99120 7.84855 2.62707 -184.68213 821.54301
|
|
4575.0000 -193.10884 -185.14170 7.96714 2.61353 -184.93147 829.56821
|
|
4580.0000 -195.00719 -186.05518 8.95201 2.62497 -184.72079 819.97402
|
|
4585.0000 -193.70099 -185.40315 8.29784 2.60008 -185.17918 814.59768
|
|
4590.0000 -193.77776 -184.25659 9.52117 2.61615 -184.88324 814.08865
|
|
4595.0000 -193.83477 -186.36283 7.47195 2.57249 -185.68715 803.04909
|
|
4600.0000 -195.15474 -186.66165 8.49308 2.56724 -185.78368 799.66541
|
|
4605.0000 -193.76242 -186.78961 6.97281 2.51300 -186.78234 774.33059
|
|
4610.0000 -193.26582 -185.05007 8.21575 2.58789 -185.40364 787.46024
|
|
4615.0000 -193.94899 -185.21081 8.73818 2.58329 -185.48832 795.51754
|
|
4620.0000 -193.43544 -185.69018 7.74526 2.56212 -185.87808 799.69629
|
|
4625.0000 -194.61667 -186.94269 7.67397 2.56372 -185.84861 788.05985
|
|
4630.0000 -192.78464 -185.18483 7.59981 2.57288 -185.67985 791.10327
|
|
4635.0000 -192.27192 -183.23269 9.03923 2.63871 -184.46787 814.65775
|
|
4640.0000 -193.59239 -184.93006 8.66233 2.65499 -184.16809 855.81782
|
|
4645.0000 -193.46423 -185.94664 7.51759 2.58860 -185.39042 822.93621
|
|
4650.0000 -194.44706 -187.12568 7.32138 2.54107 -186.26551 767.62779
|
|
4655.0000 -194.74176 -186.44900 8.29276 2.55394 -186.02856 742.51702
|
|
4660.0000 -192.18369 -184.43999 7.74370 2.59672 -185.24100 794.32843
|
|
4665.0000 -193.61600 -186.47288 7.14312 2.57405 -185.65836 811.82753
|
|
4670.0000 -192.38911 -184.87359 7.51552 2.56646 -185.79813 792.27454
|
|
4675.0000 -193.85571 -185.42291 8.43280 2.61102 -184.97769 819.12986
|
|
4680.0000 -193.15814 -183.84741 9.31073 2.66758 -183.93628 833.38183
|
|
4685.0000 -194.12922 -186.45770 7.67152 2.58638 -185.43139 808.95787
|
|
4690.0000 -194.78001 -185.84786 8.93215 2.54869 -186.12529 771.48133
|
|
4695.0000 -192.30699 -184.60275 7.70424 2.60964 -185.00319 808.38274
|
|
4700.0000 -193.00052 -185.57160 7.42892 2.57342 -185.67001 767.73260
|
|
4705.0000 -193.75290 -186.34709 7.40581 2.56728 -185.78303 798.22088
|
|
4710.0000 -194.19851 -186.51381 7.68470 2.50442 -186.94030 760.54017
|
|
4715.0000 -195.58493 -187.61262 7.97231 2.45043 -187.93432 747.61127
|
|
4720.0000 -193.76836 -185.15851 8.60985 2.54069 -186.27251 782.49720
|
|
4725.0000 -193.79952 -185.77478 8.02474 2.59704 -185.23502 817.95526
|
|
4730.0000 -193.92782 -184.97246 8.95536 2.60235 -185.13739 821.89114
|
|
4735.0000 -192.24801 -184.24505 8.00296 2.62486 -184.72293 834.93649
|
|
4740.0000 -192.52315 -183.73326 8.78989 2.70093 -183.32233 867.88427
|
|
4745.0000 -192.58826 -182.95662 9.63164 2.63689 -184.50136 815.48962
|
|
4750.0000 -192.76372 -185.20065 7.56306 2.68301 -183.65234 857.02865
|
|
MELTING PROCESS: loop number 20 T-loop= 821.00000000000000
|
|
main_MD> interactions number 20 at Temperature= 821.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.96086 -0.08986 3.44145
|
|
force_rgl> df(natom) -1.68524 0.70888 1.43624
|
|
4755.0000 -193.80583 -185.38535 8.42049 2.60724 -185.04732 800.71187
|
|
4760.0000 -193.72460 -185.23321 8.49139 2.57856 -185.57534 787.41099
|
|
4765.0000 -194.06787 -186.05402 8.01385 2.56142 -185.89094 776.18981
|
|
4770.0000 -192.52160 -185.28900 7.23260 2.58134 -185.52408 800.47061
|
|
4775.0000 -194.37271 -185.60233 8.77038 2.57047 -185.72431 814.31302
|
|
4780.0000 -193.63080 -185.57972 8.05108 2.55325 -186.04123 787.62512
|
|
4785.0000 -194.78725 -186.14616 8.64109 2.61236 -184.95296 815.77319
|
|
4790.0000 -193.84852 -185.05442 8.79409 2.54244 -186.24026 767.93980
|
|
4795.0000 -194.24080 -185.54444 8.69637 2.60347 -185.11671 802.17529
|
|
4800.0000 -193.47628 -185.33975 8.13653 2.55642 -185.98300 795.11056
|
|
4805.0000 -193.03015 -183.37510 9.65505 2.63930 -184.45703 835.32427
|
|
4810.0000 -191.85939 -183.55058 8.30881 2.67784 -183.74738 854.21860
|
|
4815.0000 -193.41308 -185.43001 7.98306 2.62115 -184.79125 809.15648
|
|
4820.0000 -192.02675 -183.63015 8.39661 2.65160 -184.23051 843.46296
|
|
4825.0000 -191.44898 -183.65242 7.79657 2.66365 -184.00868 859.18858
|
|
4830.0000 -194.37649 -185.28181 9.09469 2.61644 -184.87786 786.41278
|
|
4835.0000 -193.88217 -185.39374 8.48843 2.62874 -184.65146 829.40957
|
|
4840.0000 -193.82656 -184.38199 9.44456 2.63077 -184.61414 842.24949
|
|
4845.0000 -193.50239 -183.97142 9.53098 2.64800 -184.29685 837.75732
|
|
4850.0000 -193.60044 -186.73845 6.86199 2.58013 -185.54651 799.12142
|
|
4855.0000 -193.64452 -184.73156 8.91296 2.60071 -185.16760 809.12870
|
|
4860.0000 -192.16907 -183.81054 8.35853 2.65782 -184.11602 825.23432
|
|
4865.0000 -192.43163 -183.73861 8.69301 2.65089 -184.24371 843.06653
|
|
4870.0000 -194.12446 -185.00695 9.11751 2.67992 -183.70907 851.40602
|
|
4875.0000 -192.93273 -184.61989 8.31284 2.59907 -185.19778 798.59641
|
|
4880.0000 -194.65711 -186.97425 7.68286 2.55678 -185.97637 785.48061
|
|
4885.0000 -194.41855 -187.59186 6.82670 2.49803 -187.05792 749.84868
|
|
4890.0000 -194.27293 -184.88393 9.38900 2.55545 -186.00090 798.70084
|
|
4895.0000 -192.87561 -184.14325 8.73236 2.63221 -184.58750 844.59763
|
|
4900.0000 -193.10140 -185.00561 8.09579 2.62884 -184.64965 814.92553
|
|
4905.0000 -193.46069 -184.95503 8.50566 2.60189 -185.14570 805.73263
|
|
4910.0000 -193.42105 -185.26485 8.15620 2.63276 -184.57749 830.83173
|
|
4915.0000 -194.30223 -186.33034 7.97190 2.61779 -184.85313 846.70368
|
|
4920.0000 -193.75107 -185.93979 7.81128 2.52042 -186.64581 761.13002
|
|
4925.0000 -193.36645 -184.61817 8.74828 2.54836 -186.13140 792.59854
|
|
4930.0000 -195.21592 -185.99364 9.22228 2.57563 -185.62935 822.94589
|
|
4935.0000 -192.11338 -184.11180 8.00158 2.60261 -185.13262 815.87257
|
|
4940.0000 -193.86636 -185.10151 8.76485 2.59584 -185.25722 805.25919
|
|
4945.0000 -193.28189 -185.22789 8.05401 2.59203 -185.32727 817.59982
|
|
4950.0000 -193.59804 -185.75660 7.84144 2.60008 -185.17913 827.85796
|
|
4955.0000 -193.80734 -186.79021 7.01713 2.53771 -186.32734 788.56813
|
|
4960.0000 -194.06628 -183.85672 10.20956 2.62252 -184.76596 823.73897
|
|
4965.0000 -193.96158 -186.52512 7.43646 2.61317 -184.93813 813.10237
|
|
4970.0000 -193.66138 -185.92368 7.73770 2.54516 -186.19019 784.80068
|
|
4975.0000 -193.38884 -184.33852 9.05032 2.61433 -184.91685 849.70763
|
|
4980.0000 -192.33940 -184.36320 7.97620 2.64510 -184.35019 855.35527
|
|
4985.0000 -194.28005 -185.45760 8.82244 2.61519 -184.90096 810.95892
|
|
4990.0000 -193.23735 -183.93682 9.30052 2.64638 -184.32668 839.85745
|
|
4995.0000 -193.94167 -186.57126 7.37041 2.58346 -185.48512 793.81675
|
|
5000.0000 -194.21926 -184.25455 9.96470 2.56636 -185.79994 774.56623
|
|
MELTING PROCESS: loop number 21 T-loop= 846.00000000000000
|
|
main_MD> interactions number 21 at Temperature= 846.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.99973 0.53447 -0.74006
|
|
force_rgl> df(natom) 2.02485 1.60845 0.23783
|
|
5005.0000 -193.76107 -185.05319 8.70788 2.62509 -184.71869 837.17731
|
|
5010.0000 -191.67546 -182.72322 8.95224 2.68134 -183.68293 868.13251
|
|
5015.0000 -192.17840 -183.11893 9.05947 2.69312 -183.46617 857.92875
|
|
5020.0000 -194.01519 -184.30795 9.70724 2.65340 -184.19738 845.11620
|
|
5025.0000 -191.01190 -182.85215 8.15975 2.66821 -183.92475 833.97837
|
|
5030.0000 -192.49159 -182.34971 10.14188 2.73591 -182.67829 900.17267
|
|
5035.0000 -191.14839 -184.00728 7.14111 2.69157 -183.49462 894.18991
|
|
5040.0000 -194.33497 -184.67384 9.66113 2.61936 -184.82415 823.74461
|
|
5045.0000 -193.58635 -184.98843 8.59792 2.59967 -185.18675 802.17418
|
|
5050.0000 -192.22356 -184.06056 8.16300 2.66096 -184.05830 865.44846
|
|
5055.0000 -194.53855 -187.28624 7.25231 2.55471 -186.01439 791.41666
|
|
5060.0000 -195.02193 -186.86741 8.15451 2.47959 -187.39754 727.69966
|
|
5065.0000 -192.23792 -182.92740 9.31052 2.65900 -184.09438 854.35195
|
|
5070.0000 -193.74457 -184.52283 9.22174 2.68376 -183.63849 878.14964
|
|
5075.0000 -193.05303 -183.97753 9.07550 2.65008 -184.25854 848.20633
|
|
5080.0000 -192.63133 -184.73218 7.89915 2.60999 -184.99664 824.39857
|
|
5085.0000 -190.77130 -182.44632 8.32498 2.72105 -182.95197 890.13380
|
|
5090.0000 -192.87739 -183.57721 9.30017 2.70953 -183.16400 871.95161
|
|
5095.0000 -192.82040 -185.51133 7.30907 2.65583 -184.15266 853.98170
|
|
5100.0000 -192.02077 -183.78657 8.23420 2.65557 -184.15749 867.35319
|
|
5105.0000 -193.78460 -185.20295 8.58165 2.59335 -185.30308 830.85482
|
|
5110.0000 -193.54031 -184.40999 9.13032 2.59934 -185.19280 802.02130
|
|
5115.0000 -192.07878 -183.93674 8.14205 2.67179 -183.85878 851.63298
|
|
5120.0000 -192.84532 -185.33777 7.50754 2.63181 -184.59496 834.59077
|
|
5125.0000 -193.61330 -186.17301 7.44029 2.62717 -184.68029 835.60712
|
|
5130.0000 -193.30972 -184.61656 8.69316 2.62329 -184.75174 833.01940
|
|
5135.0000 -193.83592 -184.60310 9.23282 2.69238 -183.47968 876.17321
|
|
5140.0000 -193.00374 -184.47353 8.53022 2.61173 -184.96458 844.46690
|
|
5145.0000 -193.52403 -183.34123 10.18281 2.70003 -183.33895 881.23451
|
|
5150.0000 -192.33330 -183.38912 8.94419 2.66556 -183.97363 862.78570
|
|
5155.0000 -192.57088 -183.33836 9.23252 2.67821 -183.74058 864.00076
|
|
5160.0000 -190.64946 -182.70589 7.94357 2.70078 -183.32517 879.65190
|
|
5165.0000 -192.80060 -182.94424 9.85636 2.71765 -183.01451 885.24616
|
|
5170.0000 -192.61539 -184.46091 8.15448 2.68388 -183.63621 848.99387
|
|
5175.0000 -193.54071 -185.15535 8.38536 2.60436 -185.10031 803.20209
|
|
5180.0000 -194.17223 -185.28911 8.88312 2.61835 -184.84265 846.94020
|
|
5185.0000 -194.56298 -185.75742 8.80556 2.60123 -185.15787 827.04391
|
|
5190.0000 -192.36979 -184.50262 7.86717 2.66098 -184.05778 850.55611
|
|
5195.0000 -193.12196 -183.08651 10.03544 2.69579 -183.41693 897.38992
|
|
5200.0000 -191.61562 -183.04870 8.56692 2.70228 -183.29740 898.83586
|
|
5205.0000 -192.42621 -183.85757 8.56864 2.66477 -183.98807 849.52700
|
|
5210.0000 -193.07672 -185.34861 7.72811 2.56963 -185.73966 788.32837
|
|
5215.0000 -193.43978 -186.22805 7.21173 2.56339 -185.85463 777.76539
|
|
5220.0000 -194.65760 -186.77216 7.88544 2.59879 -185.20288 841.00319
|
|
5225.0000 -193.80593 -185.45559 8.35034 2.58038 -185.54176 833.61929
|
|
5230.0000 -192.15339 -184.21533 7.93806 2.63809 -184.47935 857.44680
|
|
5235.0000 -191.24147 -183.07415 8.16732 2.65529 -184.16258 865.01005
|
|
5240.0000 -191.68098 -182.20328 9.47770 2.76820 -182.08383 916.87077
|
|
5245.0000 -193.71718 -186.00275 7.71443 2.67351 -183.82711 863.68103
|
|
5250.0000 -192.67317 -184.23495 8.43823 2.61709 -184.86596 824.69490
|
|
MELTING PROCESS: loop number 22 T-loop= 871.00000000000000
|
|
main_MD> interactions number 22 at Temperature= 871.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.08376 -0.17511 -2.79100
|
|
force_rgl> df(natom) -0.58581 2.08215 -1.60412
|
|
5255.0000 -193.66609 -184.93560 8.73049 2.63357 -184.56258 826.63728
|
|
5260.0000 -193.72123 -185.14357 8.57766 2.65675 -184.13583 873.36623
|
|
5265.0000 -194.08423 -185.45085 8.63337 2.61646 -184.87752 834.64557
|
|
5270.0000 -193.41311 -184.46180 8.95131 2.57548 -185.63200 787.38063
|
|
5275.0000 -193.27997 -184.64521 8.63476 2.64965 -184.26655 812.29233
|
|
5280.0000 -193.03201 -183.01494 10.01707 2.67971 -183.71301 837.61943
|
|
5285.0000 -193.93010 -184.66212 9.26798 2.67494 -183.80079 846.09892
|
|
5290.0000 -193.26713 -184.64084 8.62628 2.65708 -184.12964 854.61151
|
|
5295.0000 -192.05980 -184.06591 7.99390 2.63633 -184.51174 816.30777
|
|
5300.0000 -193.35526 -183.65899 9.69627 2.67448 -183.80939 852.64899
|
|
5305.0000 -192.74827 -183.14241 9.60585 2.68104 -183.68856 865.99655
|
|
5310.0000 -191.28274 -182.53730 8.74543 2.69850 -183.36701 892.10098
|
|
5315.0000 -193.39427 -184.49530 8.89897 2.64477 -184.35631 847.59198
|
|
5320.0000 -192.54561 -182.81470 9.73092 2.70772 -183.19739 869.89983
|
|
5325.0000 -193.35341 -183.92537 9.42803 2.75369 -182.35087 896.11326
|
|
5330.0000 -193.46837 -185.62450 7.84387 2.66297 -184.02130 878.96688
|
|
5335.0000 -193.14574 -184.44010 8.70564 2.59633 -185.24825 846.49177
|
|
5340.0000 -192.70217 -183.90545 8.79672 2.65319 -184.20133 862.58149
|
|
5345.0000 -192.49014 -184.61463 7.87551 2.66578 -183.96942 829.75260
|
|
5350.0000 -191.52547 -182.82970 8.69577 2.68991 -183.52527 849.54215
|
|
5355.0000 -192.62000 -183.10683 9.51317 2.69744 -183.38662 880.95675
|
|
5360.0000 -192.54044 -182.00811 10.53233 2.72777 -182.82812 885.18825
|
|
5365.0000 -191.95193 -182.47793 9.47400 2.77192 -182.01540 930.51067
|
|
5370.0000 -189.80197 -180.26041 9.54156 2.79017 -181.67931 948.42577
|
|
5375.0000 -190.86615 -181.85406 9.01209 2.79027 -181.67749 931.02012
|
|
5380.0000 -192.09669 -182.94379 9.15291 2.73578 -182.68069 911.62431
|
|
5385.0000 -192.82393 -183.07057 9.75336 2.72387 -182.90001 920.67834
|
|
5390.0000 -193.80505 -184.27193 9.53312 2.65443 -184.17852 860.32910
|
|
5395.0000 -193.13347 -184.45009 8.68337 2.67426 -183.81338 868.58191
|
|
5400.0000 -192.64533 -183.01462 9.63071 2.69283 -183.47146 903.95273
|
|
5405.0000 -191.92246 -183.43107 8.49139 2.70942 -183.16598 897.18920
|
|
5410.0000 -191.57223 -183.81130 7.76092 2.68121 -183.68547 867.56607
|
|
5415.0000 -193.93844 -184.77417 9.16427 2.63778 -184.48500 829.73790
|
|
5420.0000 -192.19880 -183.35401 8.84479 2.64655 -184.32351 812.68721
|
|
5425.0000 -192.39638 -183.72341 8.67297 2.66698 -183.94734 824.85599
|
|
5430.0000 -191.45070 -183.30506 8.14564 2.66592 -183.96698 854.41903
|
|
5435.0000 -191.61496 -181.82267 9.79229 2.73063 -182.77559 905.54434
|
|
5440.0000 -192.44922 -184.22945 8.21977 2.74064 -182.59122 909.81859
|
|
5445.0000 -192.71060 -184.03501 8.67559 2.65185 -184.22600 833.00842
|
|
5450.0000 -192.24142 -183.08471 9.15671 2.71868 -182.99545 909.68874
|
|
5455.0000 -191.31609 -182.50922 8.80687 2.72553 -182.86937 883.55745
|
|
5460.0000 -191.26473 -183.85212 7.41261 2.72987 -182.78945 900.71789
|
|
5465.0000 -192.28117 -184.05323 8.22794 2.65184 -184.22612 852.17523
|
|
5470.0000 -191.54552 -182.67644 8.86909 2.67056 -183.88153 864.33622
|
|
5475.0000 -192.38222 -182.60884 9.77339 2.72461 -182.88644 920.40454
|
|
5480.0000 -192.25735 -184.02492 8.23243 2.66686 -183.94967 870.37701
|
|
5485.0000 -191.94400 -182.69500 9.24901 2.69248 -183.47792 889.68550
|
|
5490.0000 -191.53865 -181.28255 10.25611 2.79468 -181.59634 948.55940
|
|
5495.0000 -191.59892 -181.93866 9.66026 2.73710 -182.65632 896.27424
|
|
5500.0000 -193.13127 -184.89821 8.23306 2.71686 -183.02913 894.36604
|
|
MELTING PROCESS: loop number 23 T-loop= 896.00000000000000
|
|
main_MD> interactions number 23 at Temperature= 896.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.18771 6.38342 -1.79777
|
|
force_rgl> df(natom) -1.41896 0.63397 0.67292
|
|
5505.0000 -193.27399 -184.26469 9.00929 2.64031 -184.43837 836.21087
|
|
5510.0000 -191.05858 -182.96521 8.09337 2.69208 -183.48535 883.75894
|
|
5515.0000 -191.05723 -181.42790 9.62934 2.76323 -182.17529 918.98582
|
|
5520.0000 -193.31686 -183.81046 9.50640 2.74625 -182.48792 913.66427
|
|
5525.0000 -193.96533 -184.94033 9.02500 2.65060 -184.24894 846.99108
|
|
5530.0000 -191.35638 -183.34783 8.00855 2.65486 -184.17048 873.85621
|
|
5535.0000 -191.83486 -182.84591 8.98895 2.71109 -183.13529 876.47719
|
|
5540.0000 -192.58150 -183.31330 9.26821 2.72001 -182.97102 905.81887
|
|
5545.0000 -189.47263 -181.72652 7.74611 2.74481 -182.51454 886.50729
|
|
5550.0000 -190.33549 -179.72625 10.60924 2.84105 -180.74260 953.31879
|
|
5555.0000 -190.54367 -180.64222 9.90145 2.86910 -180.22608 1012.52735
|
|
5560.0000 -190.31476 -180.98060 9.33417 2.82720 -180.99760 977.26519
|
|
5565.0000 -190.85177 -181.40507 9.44670 2.79428 -181.60359 935.88445
|
|
5570.0000 -193.00286 -184.45237 8.55049 2.71529 -183.05792 886.90502
|
|
5575.0000 -191.19584 -182.54968 8.64616 2.70466 -183.25373 879.20245
|
|
5580.0000 -190.17688 -181.71180 8.46509 2.76103 -182.21574 903.23361
|
|
5585.0000 -190.82730 -181.61019 9.21711 2.80739 -181.36219 944.24530
|
|
5590.0000 -191.08510 -181.66986 9.41524 2.80947 -181.32393 916.22133
|
|
5595.0000 -191.18921 -181.90826 9.28095 2.84042 -180.75409 971.83317
|
|
5600.0000 -193.82462 -184.33971 9.48491 2.70180 -183.30638 886.59404
|
|
5605.0000 -194.64308 -183.69701 10.94607 2.69565 -183.41956 879.64704
|
|
5610.0000 -194.33821 -184.66248 9.67574 2.67167 -183.86108 873.71646
|
|
5615.0000 -193.31765 -184.04998 9.26767 2.62745 -184.67513 844.75407
|
|
5620.0000 -190.62662 -181.33178 9.29484 2.74848 -182.44683 918.31232
|
|
5625.0000 -191.42066 -182.19956 9.22110 2.75857 -182.26116 932.99251
|
|
5630.0000 -191.82773 -182.24620 9.58153 2.76040 -182.22748 908.78863
|
|
5635.0000 -193.44577 -182.92625 10.51952 2.73490 -182.69686 889.01245
|
|
5640.0000 -190.98120 -181.14577 9.83543 2.73741 -182.65073 898.30951
|
|
5645.0000 -191.47961 -182.09215 9.38746 2.76295 -182.18055 909.98117
|
|
5650.0000 -192.42617 -183.07431 9.35186 2.71356 -183.08985 892.92187
|
|
5655.0000 -191.21345 -183.46929 7.74416 2.71838 -183.00098 875.53966
|
|
5660.0000 -193.12287 -185.05931 8.06356 2.68174 -183.67557 895.80451
|
|
5665.0000 -191.20413 -179.45248 11.75165 2.79181 -181.64917 955.98880
|
|
5670.0000 -189.14560 -181.18695 7.95865 2.82116 -181.10874 960.08763
|
|
5675.0000 -191.84103 -182.77825 9.06278 2.77934 -181.87874 895.72069
|
|
5680.0000 -191.42640 -182.34463 9.08177 2.75639 -182.30127 941.09822
|
|
5685.0000 -191.13598 -181.31990 9.81609 2.80599 -181.38813 964.56224
|
|
5690.0000 -190.35559 -180.60513 9.75046 2.81524 -181.21778 943.58990
|
|
5695.0000 -190.13562 -178.79617 11.33945 2.85820 -180.42672 976.79048
|
|
5700.0000 -191.82361 -181.96902 9.85459 2.86706 -180.26363 986.17446
|
|
5705.0000 -190.69595 -181.42918 9.26677 2.78880 -181.70457 913.74325
|
|
5710.0000 -191.05791 -180.53381 10.52410 2.83107 -180.92631 951.94724
|
|
5715.0000 -190.71213 -181.45372 9.25841 2.81618 -181.20037 946.71118
|
|
5720.0000 -191.81781 -182.32070 9.49711 2.74396 -182.53006 932.37283
|
|
5725.0000 -190.90639 -183.85798 7.04842 2.74525 -182.50641 888.09091
|
|
5730.0000 -191.24569 -181.41510 9.83059 2.75746 -182.28150 921.16124
|
|
5735.0000 -194.44140 -185.07426 9.36715 2.72218 -182.93103 887.27229
|
|
5740.0000 -191.32078 -182.51450 8.80628 2.68749 -183.56984 869.72111
|
|
5745.0000 -190.43697 -182.32096 8.11601 2.75506 -182.32570 902.49404
|
|
5750.0000 -190.81718 -181.65556 9.16163 2.79947 -181.50815 932.61684
|
|
MELTING PROCESS: loop number 24 T-loop= 921.00000000000000
|
|
main_MD> interactions number 24 at Temperature= 921.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.65664 0.79804 -4.19198
|
|
force_rgl> df(natom) 2.85830 1.61468 0.05598
|
|
5755.0000 -189.62930 -181.33867 8.29062 2.82166 -181.09958 966.51938
|
|
5760.0000 -191.12387 -182.41074 8.71313 2.75287 -182.36604 894.09468
|
|
5765.0000 -191.61527 -180.16563 11.44964 2.78637 -181.74922 945.24817
|
|
5770.0000 -192.65508 -182.54257 10.11251 2.81852 -181.15730 973.51711
|
|
5775.0000 -189.61912 -180.84818 8.77094 2.82836 -180.97625 962.33506
|
|
5780.0000 -189.90985 -181.84819 8.06166 2.81882 -181.15178 941.72456
|
|
5785.0000 -190.53912 -180.89784 9.64129 2.82550 -181.02887 945.38236
|
|
5790.0000 -191.24065 -181.21854 10.02210 2.85250 -180.53179 935.61725
|
|
5795.0000 -191.01410 -181.56126 9.45284 2.84564 -180.65807 938.36093
|
|
5800.0000 -190.85135 -181.30829 9.54306 2.83508 -180.85244 980.10914
|
|
5805.0000 -190.51933 -180.26967 10.24966 2.81421 -181.23663 956.89986
|
|
5810.0000 -191.53023 -182.39864 9.13159 2.79088 -181.66631 954.51797
|
|
5815.0000 -192.78635 -184.32312 8.46323 2.73685 -182.66103 923.01532
|
|
5820.0000 -191.94786 -182.96756 8.98030 2.69525 -183.42688 865.53132
|
|
5825.0000 -192.20709 -183.30300 8.90408 2.75194 -182.38311 889.03880
|
|
5830.0000 -191.05451 -181.95020 9.10431 2.75935 -182.24675 907.67761
|
|
5835.0000 -191.91280 -184.28690 7.62591 2.68180 -183.67464 868.72227
|
|
5840.0000 -192.18119 -183.71196 8.46922 2.63899 -184.46282 840.74880
|
|
5845.0000 -192.82717 -183.21488 9.61230 2.68980 -183.52718 866.19288
|
|
5850.0000 -192.38288 -184.60530 7.77758 2.68627 -183.59232 854.77853
|
|
5855.0000 -191.73890 -182.59875 9.14015 2.68903 -183.54139 876.48449
|
|
5860.0000 -190.71749 -181.64216 9.07533 2.76942 -182.06129 900.53686
|
|
5865.0000 -192.12650 -182.60142 9.52508 2.72680 -182.84611 885.12613
|
|
5870.0000 -191.41439 -181.40655 10.00784 2.76938 -182.06201 933.01566
|
|
5875.0000 -190.72679 -181.90522 8.82157 2.77653 -181.93044 936.96083
|
|
5880.0000 -192.51990 -182.85364 9.66626 2.71981 -182.97476 886.14650
|
|
5885.0000 -192.13401 -181.79783 10.33618 2.74689 -182.47608 896.49121
|
|
5890.0000 -191.42578 -182.47594 8.94984 2.72692 -182.84388 914.89462
|
|
5895.0000 -190.75020 -180.66072 10.08948 2.81532 -181.21618 941.35972
|
|
5900.0000 -190.30882 -179.41129 10.89753 2.88475 -179.93801 981.73534
|
|
5905.0000 -190.32854 -182.52670 7.80184 2.83271 -180.89609 936.66984
|
|
5910.0000 -191.76058 -182.45509 9.30550 2.72468 -182.88511 904.55214
|
|
5915.0000 -192.02316 -183.66440 8.35876 2.69352 -183.45875 865.25592
|
|
5920.0000 -193.97320 -184.40402 9.56918 2.69517 -183.42829 873.41685
|
|
5925.0000 -192.77609 -183.64667 9.12942 2.71486 -183.06583 883.10532
|
|
5930.0000 -191.73924 -182.72385 9.01538 2.74256 -182.55591 923.65115
|
|
5935.0000 -191.77258 -183.33805 8.43454 2.69317 -183.46512 883.92791
|
|
5940.0000 -190.07904 -180.90499 9.17405 2.78945 -181.69261 923.36108
|
|
5945.0000 -191.47244 -182.00507 9.46737 2.81201 -181.27728 950.38113
|
|
5950.0000 -192.10100 -182.12509 9.97591 2.75082 -182.40373 924.80801
|
|
5955.0000 -189.53567 -179.21827 10.31740 2.79335 -181.62084 939.30058
|
|
5960.0000 -191.65495 -184.84033 6.81462 2.77563 -181.94694 926.83023
|
|
5965.0000 -192.84046 -183.40813 9.43233 2.61468 -184.91027 816.43363
|
|
5970.0000 -191.88061 -183.29353 8.58708 2.72995 -182.78796 887.25003
|
|
5975.0000 -193.08075 -183.35937 9.72138 2.72130 -182.94723 869.82936
|
|
5980.0000 -195.34093 -185.78010 9.56083 2.58892 -185.38464 812.81319
|
|
5985.0000 -191.50898 -182.61932 8.88965 2.65597 -184.15014 868.18547
|
|
5990.0000 -192.71396 -183.21600 9.49796 2.72182 -182.93767 898.01206
|
|
5995.0000 -192.37605 -183.65400 8.72205 2.68233 -183.66470 882.92530
|
|
6000.0000 -192.29562 -184.27328 8.02234 2.67892 -183.72752 845.77074
|
|
MELTING PROCESS: loop number 25 T-loop= 946.00000000000000
|
|
main_MD> interactions number 25 at Temperature= 946.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.48187 -0.48601 2.92099
|
|
force_rgl> df(natom) -2.94604 2.18544 0.69909
|
|
6005.0000 -192.62173 -184.52911 8.09262 2.65684 -184.13410 846.94672
|
|
6010.0000 -192.39371 -182.85132 9.54239 2.69277 -183.47262 878.45612
|
|
6015.0000 -191.63417 -182.75563 8.87855 2.68492 -183.61705 875.17079
|
|
6020.0000 -192.58802 -183.61718 8.97084 2.70187 -183.30507 866.92198
|
|
6025.0000 -191.69359 -182.08488 9.60871 2.70231 -183.29693 871.71481
|
|
6030.0000 -191.55806 -182.01238 9.54568 2.79246 -181.63716 916.38921
|
|
6035.0000 -191.07785 -180.78306 10.29479 2.80626 -181.38314 942.86257
|
|
6040.0000 -192.11945 -182.04046 10.07900 2.81110 -181.29401 934.77676
|
|
6045.0000 -192.17730 -184.35764 7.81965 2.71028 -183.15016 889.40681
|
|
6050.0000 -192.44245 -182.84687 9.59558 2.68569 -183.60284 867.70451
|
|
6055.0000 -192.66911 -183.27005 9.39906 2.78882 -181.70423 942.45364
|
|
6060.0000 -190.58028 -181.50549 9.07479 2.73386 -182.71605 905.17518
|
|
6065.0000 -192.46941 -183.00379 9.46562 2.75886 -182.25571 897.43213
|
|
6070.0000 -191.60711 -182.53507 9.07204 2.77075 -182.03694 896.70596
|
|
6075.0000 -192.21325 -183.50597 8.70727 2.76061 -182.22350 922.16204
|
|
6080.0000 -191.65190 -181.46756 10.18434 2.75148 -182.39172 902.64747
|
|
6085.0000 -191.35386 -181.14794 10.20592 2.80965 -181.32073 955.85968
|
|
6090.0000 -192.28163 -181.47475 10.80687 2.83590 -180.83741 996.30027
|
|
6095.0000 -191.75590 -182.99412 8.76178 2.74747 -182.46552 895.18869
|
|
6100.0000 -192.47153 -181.25062 11.22091 2.79105 -181.66308 913.52966
|
|
6105.0000 -189.05658 -180.26983 8.78675 2.81638 -181.19683 949.39623
|
|
6110.0000 -188.21361 -178.15419 10.05942 2.92740 -179.15279 1014.43942
|
|
6115.0000 -191.15682 -180.45488 10.70195 2.91422 -179.39531 1021.29574
|
|
6120.0000 -191.07685 -181.99669 9.08016 2.84320 -180.70301 987.05927
|
|
6125.0000 -189.45030 -179.50895 9.94135 2.80687 -181.37177 936.80889
|
|
6130.0000 -190.76547 -180.51970 10.24577 2.84880 -180.59990 951.57320
|
|
6135.0000 -192.20763 -181.10017 11.10746 2.80119 -181.47639 952.44176
|
|
6140.0000 -191.73908 -182.34117 9.39792 2.82539 -181.03089 966.70652
|
|
6145.0000 -190.80265 -181.41527 9.38739 2.75116 -182.39756 922.42141
|
|
6150.0000 -190.97988 -182.17914 8.80073 2.78841 -181.71174 924.45362
|
|
6155.0000 -192.71282 -183.89820 8.81462 2.72445 -182.88927 889.98636
|
|
6160.0000 -193.82097 -183.87294 9.94803 2.69307 -183.46709 904.49161
|
|
6165.0000 -191.58658 -182.32717 9.25941 2.70341 -183.27676 866.04181
|
|
6170.0000 -191.15742 -180.95392 10.20350 2.79392 -181.61026 943.76652
|
|
6175.0000 -190.03676 -179.39392 10.64283 2.91743 -179.33626 1053.89385
|
|
6180.0000 -189.34372 -180.24960 9.09412 2.93061 -179.09366 1025.14985
|
|
6185.0000 -192.27523 -182.55359 9.72164 2.76685 -182.10871 916.26447
|
|
6190.0000 -189.88724 -180.83991 9.04733 2.74573 -182.49750 904.55354
|
|
6195.0000 -192.15464 -183.63552 8.51912 2.73021 -182.78318 900.56344
|
|
6200.0000 -192.24343 -183.24370 8.99972 2.69158 -183.49454 853.25438
|
|
6205.0000 -191.97833 -183.01998 8.95834 2.72536 -182.87246 882.21922
|
|
6210.0000 -191.68604 -182.44325 9.24278 2.75006 -182.41778 894.50320
|
|
6215.0000 -191.86874 -183.96574 7.90300 2.73507 -182.69376 896.65948
|
|
6220.0000 -190.49652 -181.26025 9.23628 2.69648 -183.40426 882.87134
|
|
6225.0000 -192.33797 -183.26663 9.07134 2.81240 -181.26997 941.40984
|
|
6230.0000 -193.10137 -183.56685 9.53452 2.67631 -183.77571 846.09444
|
|
6235.0000 -191.58878 -182.26607 9.32271 2.71167 -183.12468 896.69825
|
|
6240.0000 -193.33518 -183.07869 10.25649 2.77349 -181.98637 919.33020
|
|
6245.0000 -190.55988 -181.24707 9.31281 2.73324 -182.72738 908.76165
|
|
6250.0000 -191.82397 -181.69575 10.12822 2.77850 -181.89422 971.53580
|
|
MELTING PROCESS: loop number 26 T-loop= 971.00000000000000
|
|
main_MD> interactions number 26 at Temperature= 971.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.82882 -3.58250 1.55738
|
|
force_rgl> df(natom) 2.08806 0.72865 0.26123
|
|
6255.0000 -189.72397 -179.18471 10.53926 2.85895 -180.41297 996.69046
|
|
6260.0000 -191.48779 -181.09256 10.39523 2.81988 -181.13226 963.65040
|
|
6265.0000 -190.81660 -179.39964 11.41696 2.85303 -180.52203 1007.08210
|
|
6270.0000 -189.10583 -179.77640 9.32943 2.89649 -179.72182 1006.37784
|
|
6275.0000 -189.47073 -180.50742 8.96331 2.89432 -179.76178 991.83047
|
|
6280.0000 -191.28886 -182.35374 8.93512 2.83260 -180.89812 949.44320
|
|
6285.0000 -190.71525 -180.35867 10.35658 2.78824 -181.71483 928.76082
|
|
6290.0000 -190.12263 -182.30518 7.81745 2.85919 -180.40855 966.25364
|
|
6295.0000 -192.97599 -182.87957 10.09642 2.78441 -181.78542 929.97148
|
|
6300.0000 -192.79953 -182.42788 10.37165 2.69120 -183.50149 875.29876
|
|
6305.0000 -191.95037 -181.57179 10.37858 2.76056 -182.22456 915.16363
|
|
6310.0000 -191.20552 -181.87101 9.33451 2.79048 -181.67361 938.95279
|
|
6315.0000 -192.33521 -184.02803 8.30718 2.74292 -182.54922 888.69227
|
|
6320.0000 -190.81479 -181.92904 8.88576 2.67903 -183.72562 863.33480
|
|
6325.0000 -190.08207 -181.65938 8.42269 2.80592 -181.38936 953.85794
|
|
6330.0000 -190.66016 -180.85655 9.80361 2.79098 -181.66435 932.43094
|
|
6335.0000 -190.16712 -178.95515 11.21196 2.94525 -178.82410 1037.24763
|
|
6340.0000 -190.17847 -179.92337 10.25510 2.96570 -178.44754 1063.73618
|
|
6345.0000 -188.15521 -178.51586 9.63935 2.90174 -179.62522 1014.81757
|
|
6350.0000 -189.71020 -180.33686 9.37335 2.91957 -179.29686 999.44289
|
|
6355.0000 -190.97450 -181.77957 9.19493 2.82052 -181.12060 978.01682
|
|
6360.0000 -191.33364 -181.62765 9.70599 2.84013 -180.75956 957.90397
|
|
6365.0000 -192.44302 -182.78754 9.65548 2.72614 -182.85823 852.35204
|
|
6370.0000 -188.91400 -180.30279 8.61121 2.78692 -181.73919 912.67935
|
|
6375.0000 -191.06983 -181.80693 9.26290 2.81351 -181.24958 946.63773
|
|
6380.0000 -190.14252 -180.60030 9.54222 2.83576 -180.83999 959.69416
|
|
6385.0000 -189.12460 -180.00096 9.12364 2.86411 -180.31791 952.94422
|
|
6390.0000 -192.23959 -182.38856 9.85104 2.84336 -180.70009 969.26805
|
|
6395.0000 -189.99897 -179.51845 10.48052 2.83137 -180.92078 988.26283
|
|
6400.0000 -190.12696 -179.86692 10.26004 2.89294 -179.78716 996.26469
|
|
6405.0000 -191.97422 -180.41253 11.56170 2.88116 -180.00398 1002.73329
|
|
6410.0000 -189.18409 -179.19011 9.99398 2.89516 -179.74631 1011.43343
|
|
6415.0000 -189.46554 -179.39944 10.06610 2.96515 -178.45770 1033.67521
|
|
6420.0000 -192.84894 -182.10292 10.74601 2.80849 -181.34210 950.09198
|
|
6425.0000 -191.62757 -181.16497 10.46260 2.78679 -181.74162 962.23974
|
|
6430.0000 -189.10251 -178.58020 10.52231 2.87571 -180.10435 990.65212
|
|
6435.0000 -188.00095 -177.68601 10.31494 3.01540 -177.53259 1073.71092
|
|
6440.0000 -189.55399 -177.86207 11.69192 3.04280 -177.02806 1069.52121
|
|
6445.0000 -189.99836 -180.13612 9.86224 2.88136 -180.00041 1016.54053
|
|
6450.0000 -189.81334 -178.85891 10.95443 2.94674 -178.79667 1017.01403
|
|
6455.0000 -190.70457 -180.62071 10.08385 2.85415 -180.50137 964.73636
|
|
6460.0000 -192.45506 -183.72641 8.72865 2.75697 -182.29049 908.89327
|
|
6465.0000 -191.89944 -183.09174 8.80770 2.73519 -182.69149 882.10655
|
|
6470.0000 -192.15826 -182.94164 9.21662 2.69365 -183.45635 880.42689
|
|
6475.0000 -192.27116 -182.80796 9.46319 2.74385 -182.53203 912.74633
|
|
6480.0000 -192.61084 -182.45093 10.15991 2.74302 -182.54740 890.70737
|
|
6485.0000 -190.80848 -180.79567 10.01281 2.85872 -180.41720 973.75509
|
|
6490.0000 -189.60874 -181.18682 8.42192 2.82199 -181.09351 943.95901
|
|
6495.0000 -190.31632 -180.03456 10.28176 2.85175 -180.54562 978.43785
|
|
6500.0000 -189.78399 -178.80039 10.98360 2.89297 -179.78663 1006.24503
|
|
MELTING PROCESS: loop number 27 T-loop= 996.00000000000000
|
|
main_MD> interactions number 27 at Temperature= 996.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.58680 -3.14004 -0.78470
|
|
force_rgl> df(natom) 1.44382 6.27843 1.27601
|
|
6505.0000 -188.34695 -178.72500 9.62195 2.97564 -178.26460 1065.54357
|
|
6510.0000 -189.58462 -179.95891 9.62570 2.89871 -179.68099 985.06346
|
|
6515.0000 -190.29513 -180.83714 9.45800 2.91088 -179.45697 991.48053
|
|
6520.0000 -189.12734 -177.78984 11.33750 2.95181 -178.70324 1049.91001
|
|
6525.0000 -189.02035 -178.73975 10.28061 2.98855 -178.02679 1057.06184
|
|
6530.0000 -189.19540 -179.67438 9.52103 2.94160 -178.89134 1012.02663
|
|
6535.0000 -189.40192 -179.10651 10.29540 2.92688 -179.16227 1011.40816
|
|
6540.0000 -189.57780 -178.81972 10.75808 2.94444 -178.83896 1029.38870
|
|
6545.0000 -190.10486 -179.25069 10.85417 2.89342 -179.77841 1016.87410
|
|
6550.0000 -189.66978 -179.99124 9.67854 2.90423 -179.57932 1029.14096
|
|
6555.0000 -189.94571 -178.96106 10.98465 2.87361 -180.14307 961.41909
|
|
6560.0000 -190.48587 -180.97847 9.50740 2.86570 -180.28865 988.24196
|
|
6565.0000 -190.85922 -180.55150 10.30772 2.87320 -180.15054 988.94350
|
|
6570.0000 -189.55976 -180.48768 9.07208 2.87524 -180.11302 976.90646
|
|
6575.0000 -190.38311 -180.25991 10.12320 2.85817 -180.42731 994.42472
|
|
6580.0000 -190.75903 -180.94397 9.81506 2.87802 -180.06185 989.97945
|
|
6585.0000 -190.59081 -180.16632 10.42450 2.87183 -180.17576 991.81765
|
|
6590.0000 -190.98401 -180.11013 10.87387 2.83754 -180.80722 937.28375
|
|
6595.0000 -190.50479 -180.16959 10.33520 2.84702 -180.63266 962.75654
|
|
6600.0000 -190.45907 -180.39068 10.06839 2.85083 -180.56253 994.85214
|
|
6605.0000 -191.88961 -181.92891 9.96070 2.84087 -180.74581 991.99481
|
|
6610.0000 -192.18236 -181.97567 10.20669 2.75474 -182.33168 935.77740
|
|
6615.0000 -190.57039 -181.97996 8.59043 2.81243 -181.26947 924.72407
|
|
6620.0000 -192.28697 -182.23121 10.05575 2.76100 -182.21634 944.98726
|
|
6625.0000 -188.65307 -179.92157 8.73151 2.81091 -181.29754 946.52284
|
|
6630.0000 -191.31850 -181.11865 10.19985 2.86209 -180.35512 983.58321
|
|
6635.0000 -189.89207 -179.37157 10.52050 2.84205 -180.72421 963.42751
|
|
6640.0000 -189.79038 -179.55145 10.23892 2.92637 -179.17178 1039.74947
|
|
6645.0000 -188.74036 -178.79948 9.94088 2.91378 -179.40358 1019.81097
|
|
6650.0000 -191.28901 -180.69353 10.59548 2.87569 -180.10476 1006.04140
|
|
6655.0000 -188.93190 -177.33221 11.59969 2.93154 -179.07656 1011.20790
|
|
6660.0000 -190.48695 -178.26760 12.21935 2.98342 -178.12133 1045.07032
|
|
6665.0000 -191.46331 -181.34625 10.11706 2.94145 -178.89403 1039.05212
|
|
6670.0000 -190.22448 -181.53858 8.68590 2.78682 -181.74096 908.42790
|
|
6675.0000 -190.62774 -179.77975 10.84799 2.86040 -180.38626 1011.85857
|
|
6680.0000 -191.01504 -181.70876 9.30628 2.84146 -180.73507 952.82296
|
|
6685.0000 -191.80665 -182.68076 9.12589 2.74691 -182.47569 936.81609
|
|
6690.0000 -189.65674 -180.40385 9.25289 2.85216 -180.53801 986.62964
|
|
6695.0000 -191.54381 -180.41656 11.12724 2.83336 -180.88412 953.15012
|
|
6700.0000 -190.17687 -180.85956 9.31731 2.81623 -181.19949 937.66520
|
|
6705.0000 -189.74360 -179.89074 9.85286 2.88761 -179.88525 993.12831
|
|
6710.0000 -189.61230 -179.56572 10.04658 2.91034 -179.46680 1016.65395
|
|
6715.0000 -194.72943 -182.37290 12.35652 2.74521 -182.50714 900.30269
|
|
6720.0000 -189.98084 -180.37638 9.60447 2.79972 -181.50344 942.96388
|
|
6725.0000 -190.94441 -180.20207 10.74233 2.82090 -181.11353 968.30899
|
|
6730.0000 -190.55683 -180.02975 10.52707 2.86245 -180.34862 1005.19941
|
|
6735.0000 -190.84288 -182.06714 8.77574 2.80121 -181.47596 969.63086
|
|
6740.0000 -191.79289 -182.87512 8.91777 2.76416 -182.15822 949.26915
|
|
6745.0000 -190.39877 -180.00496 10.39381 2.79924 -181.51226 940.68630
|
|
6750.0000 -189.10417 -180.29181 8.81236 2.86915 -180.22521 963.11291
|
|
MELTING PROCESS: loop number 28 T-loop= 1021.0000000000000
|
|
main_MD> interactions number 28 at Temperature= 1021.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.98507 -2.91368 3.65717
|
|
force_rgl> df(natom) 0.38493 2.26390 0.65983
|
|
6755.0000 -191.14336 -180.00846 11.13489 2.88026 -180.02061 1007.11867
|
|
6760.0000 -187.17339 -177.86038 9.31301 2.93311 -179.04751 1021.56482
|
|
6765.0000 -187.84648 -176.12060 11.72588 3.03630 -177.14772 1064.21370
|
|
6770.0000 -189.49620 -178.86571 10.63048 3.06433 -176.63170 1111.61218
|
|
6775.0000 -191.59880 -180.68677 10.91203 2.88875 -179.86441 989.84282
|
|
6780.0000 -190.11474 -179.41587 10.69887 2.90032 -179.65123 991.70642
|
|
6785.0000 -191.35990 -182.40951 8.95038 2.83453 -180.86250 974.26483
|
|
6790.0000 -191.86558 -182.69856 9.16702 2.79328 -181.62213 963.86529
|
|
6795.0000 -192.17885 -182.22969 9.94916 2.78592 -181.75752 946.63896
|
|
6800.0000 -191.14272 -180.41159 10.73113 2.76709 -182.10429 905.98119
|
|
6805.0000 -190.13066 -182.07017 8.06050 2.80862 -181.33968 927.76243
|
|
6810.0000 -190.65015 -181.45791 9.19224 2.78481 -181.77792 927.73172
|
|
6815.0000 -189.28040 -179.04571 10.23470 2.85765 -180.43683 970.35563
|
|
6820.0000 -188.64306 -178.71095 9.93210 2.94213 -178.88148 1010.33188
|
|
6825.0000 -190.08967 -178.38771 11.70196 2.93940 -178.93171 1024.69494
|
|
6830.0000 -190.20559 -179.05442 11.15117 2.98968 -178.00607 1059.56617
|
|
6835.0000 -188.07902 -177.43547 10.64355 2.92394 -179.21649 998.54762
|
|
6840.0000 -186.78864 -175.47901 11.30963 2.97737 -178.23273 1050.50765
|
|
6845.0000 -190.22304 -178.61494 11.60810 3.03106 -177.24416 1100.46353
|
|
6850.0000 -190.88257 -181.45649 9.42608 2.86329 -180.33312 984.89787
|
|
6855.0000 -190.35216 -179.56983 10.78233 2.81317 -181.25578 977.83295
|
|
6860.0000 -188.90086 -177.34874 11.55212 2.97104 -178.34919 1070.23890
|
|
6865.0000 -187.26202 -177.52223 9.73979 3.00619 -177.70216 1066.94319
|
|
6870.0000 -189.26427 -179.26922 9.99505 2.92306 -179.23257 1034.44484
|
|
6875.0000 -191.55852 -182.25296 9.30556 2.85189 -180.54301 988.82760
|
|
6880.0000 -189.72521 -179.39101 10.33420 2.82132 -181.10582 947.39397
|
|
6885.0000 -190.21762 -179.03233 11.18529 2.90507 -179.56379 1035.79092
|
|
6890.0000 -190.77540 -180.88416 9.89123 2.89641 -179.72338 1000.14391
|
|
6895.0000 -190.68144 -182.03621 8.64523 2.87250 -180.16355 992.09150
|
|
6900.0000 -191.05555 -181.57739 9.47817 2.79194 -181.64674 947.32673
|
|
6905.0000 -189.55151 -178.96405 10.58746 2.88983 -179.84450 1003.38862
|
|
6910.0000 -190.70064 -179.70394 10.99670 2.87659 -180.08828 997.74047
|
|
6915.0000 -189.64520 -179.21492 10.43028 2.89976 -179.66153 994.57263
|
|
6920.0000 -189.95848 -179.02554 10.93294 2.95418 -178.65966 1066.55703
|
|
6925.0000 -190.08173 -182.48818 7.59355 2.82048 -181.12122 953.14327
|
|
6930.0000 -189.89349 -180.19988 9.69361 2.81179 -181.28130 955.55809
|
|
6935.0000 -190.65858 -180.11277 10.54581 2.82367 -181.06249 958.81606
|
|
6940.0000 -188.61708 -176.61123 12.00585 2.98359 -178.11819 1062.13454
|
|
6945.0000 -187.96763 -178.05446 9.91317 3.01305 -177.57577 1086.01075
|
|
6950.0000 -190.36252 -180.82528 9.53724 2.87417 -180.13273 979.01037
|
|
6955.0000 -188.91310 -179.28463 9.62846 2.85150 -180.55011 968.00267
|
|
6960.0000 -188.20710 -179.32087 8.88623 2.92861 -179.13041 1014.97440
|
|
6965.0000 -190.04544 -179.98171 10.06373 2.89635 -179.72440 1015.09367
|
|
6970.0000 -190.13091 -178.40019 11.73072 2.92200 -179.25210 1017.00386
|
|
6975.0000 -188.52630 -180.11787 8.40843 2.85354 -180.51264 996.44898
|
|
6980.0000 -189.07000 -177.26825 11.80175 2.90125 -179.63427 1003.80322
|
|
6985.0000 -188.18255 -176.67600 11.50655 3.04862 -176.92097 1097.65093
|
|
6990.0000 -187.14229 -176.43564 10.70666 2.98067 -178.17194 1054.70451
|
|
6995.0000 -189.85934 -177.95186 11.90748 3.07011 -176.52522 1125.53527
|
|
7000.0000 -191.61123 -181.62673 9.98450 2.85925 -180.40744 978.22434
|
|
MELTING PROCESS: loop number 29 T-loop= 1046.0000000000000
|
|
main_MD> interactions number 29 at Temperature= 1046.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.85822 1.24159 -1.34767
|
|
force_rgl> df(natom) -1.28806 0.21423 0.79126
|
|
7005.0000 -191.54725 -180.13849 11.40875 2.81484 -181.22504 957.18663
|
|
7010.0000 -191.33353 -181.53151 9.80202 2.82407 -181.05523 970.45009
|
|
7015.0000 -189.95306 -179.16208 10.79099 2.82123 -181.10742 940.79304
|
|
7020.0000 -190.46231 -179.94929 10.51301 3.00440 -177.73507 1045.50622
|
|
7025.0000 -189.62339 -178.04932 11.57407 2.94478 -178.83268 1030.71805
|
|
7030.0000 -187.58846 -177.31868 10.26978 2.98242 -178.13970 1052.26756
|
|
7035.0000 -189.78298 -174.49669 15.28630 3.12347 -175.54291 1141.65982
|
|
7040.0000 -189.24998 -176.82163 12.42835 3.12577 -175.50055 1157.75128
|
|
7045.0000 -186.29868 -176.51233 9.78635 3.07224 -176.48594 1119.19950
|
|
7050.0000 -189.09733 -177.75495 11.34238 3.05424 -176.81746 1104.23104
|
|
7055.0000 -189.99350 -177.02510 12.96840 2.99814 -177.85031 1047.80897
|
|
7060.0000 -188.65918 -176.47103 12.18815 2.94077 -178.90665 1022.20619
|
|
7065.0000 -188.48990 -178.43197 10.05792 2.94670 -178.79732 1039.44095
|
|
7070.0000 -189.17038 -179.25913 9.91125 2.93603 -178.99380 1019.20866
|
|
7075.0000 -189.76933 -177.36123 12.40810 3.00200 -177.77933 1100.77629
|
|
7080.0000 -190.20183 -180.78945 9.41238 2.92645 -179.17021 1019.09566
|
|
7085.0000 -188.37584 -178.70092 9.67492 2.93800 -178.95761 1039.39274
|
|
7090.0000 -191.46515 -180.12937 11.33578 2.92923 -179.11895 1004.97375
|
|
7095.0000 -190.75669 -181.71661 9.04008 2.75853 -182.26186 896.54346
|
|
7100.0000 -189.08794 -178.91252 10.17542 2.93256 -179.05775 1039.25411
|
|
7105.0000 -188.17695 -177.88077 10.29618 2.94849 -178.76440 1016.05145
|
|
7110.0000 -190.02682 -178.61728 11.40954 2.98378 -178.11466 1059.20935
|
|
7115.0000 -188.78759 -178.38925 10.39833 2.96001 -178.55239 1021.83071
|
|
7120.0000 -190.15887 -180.08292 10.07594 2.94500 -178.82871 1042.72699
|
|
7125.0000 -190.83054 -180.12843 10.70210 2.87462 -180.12453 1015.05118
|
|
7130.0000 -189.43542 -179.77816 9.65726 2.80345 -181.43490 945.77164
|
|
7135.0000 -189.15474 -179.43880 9.71594 2.90196 -179.62117 1027.21586
|
|
7140.0000 -188.89445 -177.98849 10.90596 2.97074 -178.35470 1071.63682
|
|
7145.0000 -190.53586 -180.56333 9.97253 2.87474 -180.12233 995.45344
|
|
7150.0000 -191.01395 -181.37388 9.64007 2.82153 -181.10186 945.84543
|
|
7155.0000 -190.20773 -180.06391 10.14382 2.83402 -180.87207 962.98227
|
|
7160.0000 -187.46172 -177.01332 10.44840 2.93233 -179.06204 1006.26758
|
|
7165.0000 -189.17540 -178.57550 10.59990 2.99138 -177.97478 1055.93171
|
|
7170.0000 -188.71962 -177.32941 11.39021 3.01620 -177.51772 1062.40802
|
|
7175.0000 -190.69915 -181.76271 8.93644 2.93937 -178.93231 1054.37210
|
|
7180.0000 -188.05059 -179.57205 8.47854 2.88160 -179.99595 976.00879
|
|
7185.0000 -190.57021 -180.68681 9.88339 2.87189 -180.17473 973.73865
|
|
7190.0000 -188.70900 -179.41980 9.28920 2.90673 -179.53331 1038.84202
|
|
7195.0000 -190.60254 -179.27875 11.32379 2.94445 -178.83888 1019.53164
|
|
7200.0000 -189.55705 -178.88927 10.66778 2.95710 -178.60591 1076.62067
|
|
7205.0000 -189.74259 -178.93402 10.80857 2.98953 -178.00884 1080.38586
|
|
7210.0000 -187.83231 -178.08067 9.75165 2.94095 -178.90318 1044.89793
|
|
7215.0000 -188.85526 -177.76302 11.09224 2.97849 -178.21208 1047.05910
|
|
7220.0000 -189.73018 -177.37172 12.35846 2.98813 -178.03470 1069.75731
|
|
7225.0000 -191.18312 -180.86263 10.32050 2.94022 -178.91666 1061.78362
|
|
7230.0000 -188.81210 -177.50150 11.31060 2.92159 -179.25966 1014.24135
|
|
7235.0000 -190.08571 -179.16088 10.92483 2.99415 -177.92373 1080.42416
|
|
7240.0000 -187.44121 -177.27567 10.16554 2.96424 -178.47441 1024.85257
|
|
7245.0000 -187.99018 -176.17416 11.81602 3.04791 -176.93392 1072.29142
|
|
7250.0000 -187.38073 -176.83644 10.54429 3.03211 -177.22491 1119.53047
|
|
MELTING PROCESS: loop number 30 T-loop= 1071.0000000000000
|
|
main_MD> interactions number 30 at Temperature= 1071.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -4.44778 -2.49912 0.98949
|
|
force_rgl> df(natom) -5.70227 1.70390 2.22599
|
|
7255.0000 -190.23644 -178.85510 11.38134 3.02464 -177.36237 1096.06809
|
|
7260.0000 -189.88023 -181.00647 8.87377 2.88019 -180.02198 976.69209
|
|
7265.0000 -190.64742 -180.07426 10.57316 2.88825 -179.87345 975.00180
|
|
7270.0000 -189.98317 -178.63037 11.35280 2.93525 -179.00812 1022.04739
|
|
7275.0000 -187.17490 -175.90591 11.26899 3.00826 -177.66402 1073.87383
|
|
7280.0000 -187.35828 -177.13975 10.21854 3.04829 -176.92699 1119.69084
|
|
7285.0000 -187.00632 -176.42712 10.57920 3.07321 -176.46825 1131.87742
|
|
7290.0000 -188.87911 -178.43161 10.44750 2.98730 -178.04997 1063.77275
|
|
7295.0000 -187.10058 -175.33226 11.76832 3.06268 -176.66211 1097.94486
|
|
7300.0000 -188.36383 -177.56568 10.79815 3.05232 -176.85286 1098.55068
|
|
7305.0000 -187.75524 -176.76941 10.98583 3.04891 -176.91558 1096.97831
|
|
7310.0000 -189.35925 -177.73515 11.62410 3.08380 -176.27318 1106.61187
|
|
7315.0000 -189.82201 -177.94435 11.87766 2.94284 -178.86851 1047.22090
|
|
7320.0000 -189.17101 -177.84086 11.33015 3.04027 -177.07473 1104.95109
|
|
7325.0000 -187.51245 -175.64952 11.86293 3.06477 -176.62356 1096.29432
|
|
7330.0000 -187.24612 -175.88648 11.35964 3.12666 -175.48404 1156.03462
|
|
7335.0000 -187.74407 -178.64078 9.10328 3.00141 -177.79018 1087.86492
|
|
7340.0000 -189.44617 -178.59461 10.85156 2.95490 -178.64642 1045.84628
|
|
7345.0000 -187.91179 -178.22299 9.68880 2.98585 -178.07661 1066.88913
|
|
7350.0000 -187.25416 -178.14536 9.10880 2.96692 -178.42516 1044.62688
|
|
7355.0000 -190.53130 -178.68391 11.84739 2.98416 -178.10769 1075.80281
|
|
7360.0000 -190.37789 -177.07429 13.30360 2.94632 -178.80434 1043.95419
|
|
7365.0000 -187.23850 -177.11494 10.12356 3.06679 -176.58638 1114.99076
|
|
7370.0000 -187.87369 -176.65069 11.22299 3.04679 -176.95462 1094.33160
|
|
7375.0000 -188.44896 -178.22113 10.22783 2.98406 -178.10948 1043.83069
|
|
7380.0000 -188.61964 -179.18142 9.43822 2.88830 -179.87256 1012.58808
|
|
7385.0000 -189.40713 -179.27407 10.13306 2.94048 -178.91185 1013.13486
|
|
7390.0000 -187.45137 -176.39501 11.05636 2.98720 -178.05167 1065.03036
|
|
7395.0000 -187.23860 -174.48751 12.75109 3.13002 -175.42218 1147.88177
|
|
7400.0000 -189.26875 -178.23600 11.03275 3.08785 -176.19854 1115.63910
|
|
7405.0000 -189.77240 -179.73348 10.03892 2.96515 -178.45775 1034.15476
|
|
7410.0000 -188.96521 -178.94876 10.01644 2.95238 -178.69283 1055.44470
|
|
7415.0000 -188.09127 -176.07175 12.01953 2.97890 -178.20451 1068.27954
|
|
7420.0000 -189.47982 -179.51921 9.96061 3.03049 -177.25462 1074.90836
|
|
7425.0000 -189.61889 -178.71581 10.90308 2.93436 -179.02461 1011.29579
|
|
7430.0000 -190.17668 -177.52974 12.64694 3.01721 -177.49919 1073.18978
|
|
7435.0000 -189.70678 -179.45151 10.25528 2.92434 -179.20914 1028.09888
|
|
7440.0000 -186.85426 -175.08548 11.76878 2.98371 -178.11593 1065.86171
|
|
7445.0000 -189.06160 -177.34151 11.72009 3.16087 -174.85421 1185.56649
|
|
7450.0000 -188.90608 -178.50810 10.39797 2.95955 -178.56088 1063.96265
|
|
7455.0000 -189.11145 -179.61375 9.49770 2.95452 -178.65350 1041.83076
|
|
7460.0000 -190.06028 -180.12854 9.93175 2.95536 -178.63798 1042.22969
|
|
7465.0000 -189.34378 -179.96545 9.37833 2.85750 -180.43959 975.88213
|
|
7470.0000 -189.52687 -177.33512 12.19175 2.99607 -177.88851 1046.44069
|
|
7475.0000 -188.39084 -175.22860 13.16224 3.06972 -176.53242 1145.43567
|
|
7480.0000 -187.85066 -175.32594 12.52472 3.13195 -175.38661 1167.53789
|
|
7485.0000 -186.84963 -175.80546 11.04417 3.07391 -176.45530 1115.10464
|
|
7490.0000 -186.97924 -177.29174 9.68751 3.06674 -176.58727 1121.57361
|
|
7495.0000 -190.21509 -179.08472 11.13037 3.02290 -177.39451 1089.71173
|
|
7500.0000 -189.22115 -178.12426 11.09689 2.95692 -178.60916 1043.72584
|
|
MELTING PROCESS: loop number 31 T-loop= 1096.0000000000000
|
|
main_MD> interactions number 31 at Temperature= 1096.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -4.32519 2.70021 1.57239
|
|
force_rgl> df(natom) -0.00198 2.77742 1.27338
|
|
7505.0000 -187.86776 -177.83283 10.03493 2.92501 -179.19667 1061.10870
|
|
7510.0000 -188.77796 -177.83223 10.94572 3.08098 -176.32511 1095.70010
|
|
7515.0000 -189.69824 -177.32074 12.37750 3.01906 -177.46508 1080.34003
|
|
7520.0000 -188.05659 -177.45942 10.59717 3.00678 -177.69129 1091.79341
|
|
7525.0000 -188.77255 -176.66203 12.11052 3.01622 -177.51740 1078.73722
|
|
7530.0000 -187.38654 -175.50842 11.87812 3.11153 -175.76259 1134.31735
|
|
7535.0000 -188.26567 -176.85693 11.40873 3.08904 -176.17677 1146.24570
|
|
7540.0000 -187.55288 -176.94058 10.61231 2.99641 -177.88210 1058.62027
|
|
7545.0000 -187.00920 -176.31152 10.69769 3.05670 -176.77212 1103.86231
|
|
7550.0000 -187.92315 -175.49802 12.42513 3.11523 -175.69459 1128.62209
|
|
7555.0000 -188.40314 -177.06077 11.34237 3.04697 -176.95130 1070.44014
|
|
7560.0000 -186.39215 -176.95298 9.43917 3.01267 -177.58270 1063.38276
|
|
7565.0000 -188.74652 -177.53869 11.20782 3.04320 -177.02063 1104.13522
|
|
7570.0000 -186.98944 -177.25125 9.73819 3.01072 -177.61878 1077.60265
|
|
7575.0000 -190.27620 -180.89903 9.37717 2.96231 -178.50999 1043.50308
|
|
7580.0000 -188.72686 -177.82581 10.90105 2.86016 -180.39066 995.34151
|
|
7585.0000 -190.14382 -177.10786 13.03596 2.98942 -178.01084 1051.69796
|
|
7590.0000 -188.26426 -177.46823 10.79603 3.03357 -177.19801 1101.45412
|
|
7595.0000 -186.70222 -177.09912 9.60309 3.06079 -176.69682 1075.70082
|
|
7600.0000 -189.40502 -176.92546 12.47955 3.04617 -176.96608 1102.95000
|
|
7605.0000 -189.66978 -177.86764 11.80214 3.04279 -177.02832 1109.20824
|
|
7610.0000 -189.37112 -178.35121 11.01990 3.01749 -177.49401 1080.21671
|
|
7615.0000 -187.42636 -174.10703 13.31934 3.04613 -176.96683 1089.47065
|
|
7620.0000 -185.52301 -174.52113 11.00188 3.17755 -174.54711 1176.32965
|
|
7625.0000 -190.61614 -178.28805 12.32809 2.96983 -178.37151 1031.04061
|
|
7630.0000 -189.88165 -179.72487 10.15678 2.99198 -177.96371 1078.59117
|
|
7635.0000 -187.65328 -177.42140 10.23188 2.94763 -178.78020 1038.23928
|
|
7640.0000 -188.62957 -176.37510 12.25447 3.04409 -177.00435 1071.61775
|
|
7645.0000 -188.01090 -177.47002 10.54088 3.07273 -176.47704 1149.16508
|
|
7650.0000 -186.19976 -174.92337 11.27639 3.12791 -175.46111 1147.62765
|
|
7655.0000 -186.86737 -174.89178 11.97559 3.16623 -174.75553 1185.63478
|
|
7660.0000 -187.32785 -175.13349 12.19436 3.07978 -176.34724 1111.06090
|
|
7665.0000 -186.59269 -175.05907 11.53362 3.12174 -175.57471 1130.33270
|
|
7670.0000 -188.02504 -175.95127 12.07377 3.17055 -174.67593 1149.40419
|
|
7675.0000 -188.41066 -175.77785 12.63280 3.16114 -174.84935 1180.81724
|
|
7680.0000 -187.86874 -176.58837 11.28037 3.10757 -175.83551 1143.08704
|
|
7685.0000 -186.35551 -175.38158 10.97393 3.05536 -176.79680 1088.13757
|
|
7690.0000 -186.36811 -175.22869 11.13942 3.15775 -174.91176 1177.64208
|
|
7695.0000 -187.37692 -175.73130 11.64563 3.16762 -174.73003 1144.79431
|
|
7700.0000 -188.30021 -177.33634 10.96387 3.08113 -176.32233 1120.46993
|
|
7705.0000 -185.87000 -173.77986 12.09014 3.13766 -175.28156 1150.70063
|
|
7710.0000 -188.37668 -176.95562 11.42105 3.16834 -174.71661 1194.74896
|
|
7715.0000 -188.96360 -177.56513 11.39847 2.99141 -177.97418 1039.88899
|
|
7720.0000 -188.11997 -178.06228 10.05769 2.98904 -178.01777 1081.09118
|
|
7725.0000 -186.99527 -176.08203 10.91323 3.02325 -177.38796 1059.97644
|
|
7730.0000 -187.72209 -175.84601 11.87609 3.12142 -175.58061 1165.85348
|
|
7735.0000 -185.21836 -173.58689 11.63148 3.11172 -175.75908 1104.98496
|
|
7740.0000 -190.29896 -179.51311 10.78585 3.09697 -176.03068 1153.88988
|
|
7745.0000 -185.80146 -176.69907 9.10239 2.96926 -178.38209 1061.14366
|
|
7750.0000 -186.68272 -176.31196 10.37076 3.11570 -175.68589 1144.67553
|
|
MELTING PROCESS: loop number 32 T-loop= 1121.0000000000000
|
|
main_MD> interactions number 32 at Temperature= 1121.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.83582 1.64578 0.42732
|
|
force_rgl> df(natom) -0.40734 -1.00116 2.30397
|
|
7755.0000 -188.46742 -177.67070 10.79672 3.00348 -177.75195 1096.33408
|
|
7760.0000 -186.88718 -175.55537 11.33180 3.02051 -177.43853 1112.57194
|
|
7765.0000 -187.97566 -176.82749 11.14817 3.07038 -176.52027 1119.82008
|
|
7770.0000 -187.67727 -175.13511 12.54216 3.14016 -175.23558 1158.36219
|
|
7775.0000 -186.72363 -175.43464 11.28899 3.15674 -174.93032 1163.65032
|
|
7780.0000 -187.90487 -175.79374 12.11113 3.11619 -175.67686 1144.84067
|
|
7785.0000 -185.88970 -174.90827 10.98143 3.15296 -174.99988 1202.47983
|
|
7790.0000 -187.27773 -175.30158 11.97614 3.13200 -175.38570 1146.20065
|
|
7795.0000 -188.59167 -178.39890 10.19278 3.06526 -176.61450 1100.03761
|
|
7800.0000 -187.43712 -175.17552 12.26160 3.10495 -175.88371 1143.61409
|
|
7805.0000 -187.20544 -175.96100 11.24445 3.06731 -176.57676 1095.26525
|
|
7810.0000 -189.18542 -176.62232 12.56309 3.06756 -176.57228 1142.61635
|
|
7815.0000 -188.57558 -176.07649 12.49909 3.08991 -176.16064 1127.56721
|
|
7820.0000 -185.67605 -174.15708 11.51897 3.15213 -175.01520 1145.82104
|
|
7825.0000 -188.15613 -176.56006 11.59607 3.17674 -174.56205 1192.60565
|
|
7830.0000 -187.73264 -176.40068 11.33196 3.06823 -176.55990 1126.08449
|
|
7835.0000 -188.94146 -176.17030 12.77117 3.05817 -176.74515 1089.08178
|
|
7840.0000 -188.42138 -177.11031 11.31108 3.09096 -176.14139 1128.19220
|
|
7845.0000 -190.03664 -178.45845 11.57819 3.02052 -177.43824 1085.21583
|
|
7850.0000 -188.06344 -177.55361 10.50984 3.05370 -176.82744 1112.49373
|
|
7855.0000 -186.34631 -175.76096 10.58535 3.07627 -176.41175 1104.32816
|
|
7860.0000 -188.22954 -175.35057 12.87897 3.10878 -175.81320 1145.12365
|
|
7865.0000 -188.29727 -175.88408 12.41319 3.13559 -175.31969 1157.21007
|
|
7870.0000 -187.74269 -174.97269 12.77000 3.16161 -174.84059 1184.29706
|
|
7875.0000 -185.34690 -174.47869 10.86822 3.24276 -173.34645 1210.81824
|
|
7880.0000 -186.86762 -174.69056 12.17706 3.16912 -174.70240 1196.56468
|
|
7885.0000 -186.96650 -174.93362 12.03287 3.18739 -174.36593 1190.09424
|
|
7890.0000 -186.32242 -175.18761 11.13482 3.17039 -174.67889 1161.55296
|
|
7895.0000 -187.64517 -176.95250 10.69267 3.07111 -176.50678 1132.03767
|
|
7900.0000 -186.49131 -177.48991 9.00140 2.99570 -177.89516 1050.27227
|
|
7905.0000 -187.45597 -174.65224 12.80373 3.07704 -176.39765 1123.29535
|
|
7910.0000 -187.22092 -175.36468 11.85624 3.14888 -175.07494 1138.16760
|
|
7915.0000 -186.28239 -175.35500 10.92739 3.12680 -175.48144 1127.28723
|
|
7920.0000 -187.68990 -176.27325 11.41665 3.08313 -176.28550 1134.46279
|
|
7925.0000 -188.78812 -179.05921 9.72891 2.99315 -177.94218 1077.02158
|
|
7930.0000 -188.71741 -178.24688 10.47053 3.04775 -176.93683 1085.72069
|
|
7935.0000 -187.51263 -175.66723 11.84541 3.03828 -177.11129 1103.98115
|
|
7940.0000 -186.38858 -175.48548 10.90310 3.12243 -175.56192 1150.64546
|
|
7945.0000 -186.56564 -176.28413 10.28151 3.14617 -175.12492 1184.05646
|
|
7950.0000 -186.73026 -176.23106 10.49920 3.06522 -176.61533 1109.41812
|
|
7955.0000 -187.58839 -174.79681 12.79159 3.10325 -175.91511 1129.99163
|
|
7960.0000 -185.72992 -174.01068 11.71925 3.21865 -173.79043 1202.14369
|
|
7965.0000 -188.40773 -176.52507 11.88266 3.14363 -175.17172 1183.48768
|
|
7970.0000 -187.60756 -176.37760 11.22995 3.06898 -176.54606 1133.67404
|
|
7975.0000 -187.23358 -176.25452 10.97905 3.06273 -176.66120 1119.58441
|
|
7980.0000 -186.39246 -175.63442 10.75804 3.06981 -176.53069 1116.67852
|
|
7985.0000 -186.99579 -174.70593 12.28986 3.13499 -175.33066 1161.82462
|
|
7990.0000 -186.74154 -174.74994 11.99160 3.17049 -174.67716 1207.52863
|
|
7995.0000 -187.78919 -174.36485 13.42435 3.15725 -174.92097 1190.45459
|
|
8000.0000 -187.24165 -173.64480 13.59684 3.22379 -173.69576 1219.55127
|
|
MELTING PROCESS: loop number 33 T-loop= 1146.0000000000000
|
|
main_MD> interactions number 33 at Temperature= 1146.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.19295 -0.73892 -2.99683
|
|
force_rgl> df(natom) -1.63482 -1.38626 -1.58109
|
|
8005.0000 -189.46321 -177.04937 12.41384 3.15307 -174.99793 1157.24325
|
|
8010.0000 -185.09434 -175.05773 10.03661 3.14510 -175.14457 1176.52794
|
|
8015.0000 -188.56020 -177.48648 11.07371 3.03429 -177.18466 1101.35769
|
|
8020.0000 -189.84575 -178.64569 11.20007 2.97132 -178.34404 1043.43358
|
|
8025.0000 -188.70478 -177.45856 11.24622 2.98593 -178.07515 1071.06898
|
|
8030.0000 -188.14646 -177.05465 11.09181 2.99956 -177.82418 1067.62916
|
|
8035.0000 -187.21143 -177.00477 10.20665 3.07354 -176.46215 1121.27921
|
|
8040.0000 -190.67472 -176.59293 14.08179 3.03056 -177.25340 1114.17302
|
|
8045.0000 -188.51866 -178.39148 10.12718 3.00971 -177.63729 1097.20661
|
|
8050.0000 -187.76253 -176.99093 10.77160 2.98622 -178.06970 1061.29474
|
|
8055.0000 -186.92239 -173.14527 13.77711 3.17863 -174.52719 1182.78746
|
|
8060.0000 -186.37686 -174.95789 11.41897 3.29135 -172.45198 1259.04631
|
|
8065.0000 -188.86665 -176.90696 11.95969 3.14939 -175.06554 1146.50308
|
|
8070.0000 -187.84563 -175.58447 12.26116 3.05310 -176.83839 1121.23072
|
|
8075.0000 -186.96368 -174.89390 12.06978 3.13228 -175.38059 1162.60737
|
|
8080.0000 -190.28177 -178.73546 11.54630 3.05468 -176.80932 1132.51719
|
|
8085.0000 -189.61989 -178.72500 10.89489 2.96434 -178.47267 1047.23142
|
|
8090.0000 -187.37685 -175.35203 12.02482 3.01909 -177.46461 1091.25777
|
|
8095.0000 -187.27032 -173.97282 13.29750 3.12475 -175.51924 1161.29861
|
|
8100.0000 -188.52283 -178.96577 9.55706 3.00710 -177.68533 1093.53826
|
|
8105.0000 -188.95490 -178.65142 10.30348 2.99583 -177.89276 1071.96839
|
|
8110.0000 -188.01757 -177.00756 11.01001 3.04743 -176.94277 1075.10535
|
|
8115.0000 -188.43931 -177.06487 11.37444 3.01185 -177.59788 1075.11673
|
|
8120.0000 -187.77820 -176.08399 11.69422 3.01702 -177.50261 1055.20927
|
|
8125.0000 -188.84740 -176.58034 12.26706 3.10346 -175.91114 1130.43507
|
|
8130.0000 -188.39122 -177.31201 11.07921 3.05375 -176.82653 1127.07333
|
|
8135.0000 -189.68179 -177.66501 12.01678 3.02191 -177.41274 1075.73955
|
|
8140.0000 -188.06507 -176.90618 11.15889 3.03106 -177.24424 1083.28822
|
|
8145.0000 -188.61620 -177.38327 11.23293 3.07075 -176.51355 1110.76138
|
|
8150.0000 -187.00159 -176.58433 10.41726 2.97350 -178.30399 1067.85091
|
|
8155.0000 -188.22204 -176.75885 11.46320 3.07369 -176.45934 1130.43906
|
|
8160.0000 -188.33612 -176.74677 11.58935 3.08797 -176.19636 1166.65126
|
|
8165.0000 -188.07056 -176.75403 11.31652 3.07652 -176.40717 1114.63964
|
|
8170.0000 -186.25081 -175.24607 11.00474 3.08253 -176.29664 1150.80340
|
|
8175.0000 -186.94959 -174.02733 12.92226 3.18560 -174.39888 1205.83924
|
|
8180.0000 -185.73764 -173.52041 12.21724 3.25906 -173.04637 1228.64154
|
|
8185.0000 -189.58756 -178.15772 11.42985 3.14080 -175.22370 1146.78617
|
|
8190.0000 -187.86550 -177.23531 10.63019 3.04299 -177.02461 1094.96705
|
|
8195.0000 -184.64507 -172.70121 11.94386 3.17298 -174.63129 1211.18416
|
|
8200.0000 -189.49209 -177.81426 11.67783 3.14432 -175.15897 1137.45790
|
|
8205.0000 -187.45054 -175.65626 11.79429 2.98226 -178.14264 1084.90734
|
|
8210.0000 -187.64045 -175.62985 12.01060 3.14949 -175.06385 1157.72294
|
|
8215.0000 -188.05341 -175.17650 12.87691 3.14512 -175.14419 1158.79064
|
|
8220.0000 -185.88269 -174.17585 11.70684 3.19553 -174.21607 1171.11775
|
|
8225.0000 -187.62434 -175.66596 11.95838 3.18088 -174.48591 1169.02142
|
|
8230.0000 -186.97355 -174.45592 12.51762 3.18523 -174.40575 1165.36010
|
|
8235.0000 -188.42155 -177.34947 11.07208 3.14872 -175.07802 1175.61536
|
|
8240.0000 -189.47304 -178.99441 10.47863 2.95710 -178.60582 1028.06459
|
|
8245.0000 -187.98632 -178.49598 9.49033 2.98935 -178.01207 1084.25147
|
|
8250.0000 -188.06175 -176.56074 11.50101 2.93655 -178.98435 1027.35718
|
|
MELTING PROCESS: loop number 34 T-loop= 1171.0000000000000
|
|
main_MD> interactions number 34 at Temperature= 1171.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.03644 -1.24481 -2.38460
|
|
force_rgl> df(natom) 1.27081 1.59943 1.32201
|
|
8255.0000 -187.58364 -174.18730 13.39635 3.16204 -174.83273 1193.06196
|
|
8260.0000 -186.97558 -174.17266 12.80293 3.22078 -173.75129 1221.90899
|
|
8265.0000 -186.06637 -174.06733 11.99904 3.20769 -173.99230 1221.54954
|
|
8270.0000 -186.32918 -173.71366 12.61552 3.18872 -174.34150 1220.55192
|
|
8275.0000 -187.90812 -175.28943 12.61869 3.17137 -174.66092 1188.33927
|
|
8280.0000 -185.71402 -174.72487 10.98915 3.22298 -173.71079 1214.70070
|
|
8285.0000 -186.97269 -176.13728 10.83541 3.14015 -175.23572 1153.93245
|
|
8290.0000 -188.53818 -177.49072 11.04746 3.15913 -174.88633 1192.94219
|
|
8295.0000 -186.13970 -172.85092 13.28878 3.15127 -175.03108 1152.65750
|
|
8300.0000 -185.87113 -174.03770 11.83343 3.21767 -173.80852 1230.03306
|
|
8305.0000 -186.42947 -174.58014 11.84933 3.14013 -175.23605 1175.71688
|
|
8310.0000 -186.55565 -174.81195 11.74370 3.15559 -174.95148 1192.82446
|
|
8315.0000 -188.27840 -177.85627 10.42213 3.05158 -176.86643 1070.89236
|
|
8320.0000 -186.99916 -177.14373 9.85543 2.99645 -177.88138 1072.75292
|
|
8325.0000 -190.42944 -179.62045 10.80900 3.02088 -177.43171 1079.63795
|
|
8330.0000 -188.20387 -175.81416 12.38971 2.97985 -178.18700 1063.25659
|
|
8335.0000 -187.88445 -176.47266 11.41178 3.08359 -176.27710 1166.89079
|
|
8340.0000 -187.87165 -176.01274 11.85891 3.01341 -177.56919 1096.02879
|
|
8345.0000 -187.05887 -175.92979 11.12907 3.11574 -175.68523 1150.67871
|
|
8350.0000 -186.27223 -173.83654 12.43568 3.12064 -175.59485 1152.63378
|
|
8355.0000 -188.11630 -176.51722 11.59909 3.21567 -173.84525 1210.57667
|
|
8360.0000 -188.90345 -177.90798 10.99548 3.02449 -177.36515 1099.87619
|
|
8365.0000 -187.16884 -175.48409 11.68475 3.08859 -176.18493 1138.16242
|
|
8370.0000 -185.81596 -173.46409 12.35187 3.20160 -174.10443 1166.82892
|
|
8375.0000 -185.41811 -173.94117 11.47694 3.20696 -174.00568 1222.47906
|
|
8380.0000 -187.86230 -175.93685 11.92544 3.12519 -175.51116 1156.60800
|
|
8385.0000 -186.88248 -175.66693 11.21555 3.14443 -175.15687 1169.96238
|
|
8390.0000 -187.31321 -172.52922 14.78399 3.20023 -174.12958 1221.11185
|
|
8395.0000 -185.63472 -174.34702 11.28770 3.26789 -172.88377 1236.05142
|
|
8400.0000 -186.37719 -174.88923 11.48797 3.15107 -175.03472 1174.44541
|
|
8405.0000 -188.33947 -175.61893 12.72053 3.10599 -175.86460 1154.43189
|
|
8410.0000 -187.85066 -174.62352 13.22714 3.17741 -174.54964 1167.50639
|
|
8415.0000 -186.29717 -173.56296 12.73421 3.20305 -174.07763 1175.98307
|
|
8420.0000 -188.01608 -175.08855 12.92753 3.16246 -174.82505 1171.13438
|
|
8425.0000 -184.18941 -172.98018 11.20923 3.16034 -174.86406 1168.76641
|
|
8430.0000 -183.97547 -170.74326 13.23221 3.23304 -173.52546 1192.28493
|
|
8435.0000 -184.67400 -171.67164 13.00236 3.38198 -170.78327 1314.36056
|
|
8440.0000 -185.19978 -174.23791 10.96186 3.24325 -173.33757 1240.52906
|
|
8445.0000 -189.26648 -176.59321 12.67326 3.04543 -176.97961 1105.26310
|
|
8450.0000 -187.49126 -175.78145 11.70981 3.07627 -176.41190 1099.21974
|
|
8455.0000 -187.00295 -175.96830 11.03465 3.09764 -176.01835 1123.09092
|
|
8460.0000 -188.12930 -175.09648 13.03282 3.17029 -174.68085 1163.25982
|
|
8465.0000 -187.46700 -175.14273 12.32426 3.17646 -174.56727 1169.33360
|
|
8470.0000 -185.04798 -171.39607 13.65192 3.25035 -173.20677 1225.86183
|
|
8475.0000 -185.67366 -172.82539 12.84827 3.31261 -172.06050 1299.65223
|
|
8480.0000 -187.16762 -174.38387 12.78375 3.28340 -172.59837 1232.78375
|
|
8485.0000 -188.20996 -177.39424 10.81573 3.12893 -175.44235 1167.49987
|
|
8490.0000 -188.63045 -177.15447 11.47598 3.03341 -177.20103 1109.37305
|
|
8495.0000 -186.78689 -175.11985 11.66704 3.08385 -176.27233 1166.74452
|
|
8500.0000 -187.57295 -177.01497 10.55798 3.11645 -175.67206 1174.77984
|
|
MELTING PROCESS: loop number 35 T-loop= 1196.0000000000000
|
|
main_MD> interactions number 35 at Temperature= 1196.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.11249 3.77257 1.07647
|
|
force_rgl> df(natom) 4.25470 5.72806 -2.42434
|
|
8505.0000 -187.91831 -176.52385 11.39446 3.03946 -177.08947 1107.16390
|
|
8510.0000 -189.28977 -178.86215 10.42762 3.07355 -176.46199 1120.98837
|
|
8515.0000 -189.80370 -177.33115 12.47256 3.00825 -177.66410 1086.05678
|
|
8520.0000 -188.55168 -177.53435 11.01733 3.08925 -176.17289 1136.74085
|
|
8525.0000 -186.79900 -175.48055 11.31845 3.04465 -176.99400 1094.59189
|
|
8530.0000 -187.97149 -174.82886 13.14263 3.15787 -174.90954 1155.98058
|
|
8535.0000 -185.68501 -175.20572 10.47930 3.09671 -176.03548 1125.98024
|
|
8540.0000 -188.49621 -175.05396 13.44225 3.14599 -175.12821 1138.59290
|
|
8545.0000 -187.14766 -174.61408 12.53357 3.21968 -173.77144 1224.91295
|
|
8550.0000 -184.96532 -175.16580 9.79952 3.18310 -174.44504 1212.79122
|
|
8555.0000 -186.77936 -175.01298 11.76638 3.15380 -174.98443 1168.24271
|
|
8560.0000 -186.78997 -174.89019 11.89977 3.10055 -175.96481 1112.70433
|
|
8565.0000 -186.73435 -174.67309 12.06126 3.20161 -174.10415 1191.58175
|
|
8570.0000 -187.65497 -175.72038 11.93459 3.11174 -175.75876 1141.09723
|
|
8575.0000 -186.33372 -175.24421 11.08951 3.16168 -174.83938 1182.94787
|
|
8580.0000 -190.18727 -177.09600 13.09127 3.11497 -175.69931 1156.70722
|
|
8585.0000 -186.30910 -175.78401 10.52509 3.08371 -176.27492 1122.54024
|
|
8590.0000 -188.27554 -174.41834 13.85720 3.10927 -175.80427 1146.96029
|
|
8595.0000 -186.28718 -174.65141 11.63577 3.18377 -174.43256 1222.42203
|
|
8600.0000 -185.85231 -174.93749 10.91482 3.09874 -175.99817 1127.59080
|
|
8605.0000 -188.46502 -176.17694 12.28807 3.13119 -175.40068 1149.13077
|
|
8610.0000 -186.97455 -174.68223 12.29232 3.19968 -174.13967 1196.68270
|
|
8615.0000 -186.49720 -176.28617 10.21102 3.15786 -174.90960 1186.79648
|
|
8620.0000 -186.92958 -174.83961 12.08997 3.19871 -174.15756 1181.60135
|
|
8625.0000 -186.81184 -175.39136 11.42048 3.14974 -175.05916 1187.01732
|
|
8630.0000 -188.11144 -174.48332 13.62812 3.21431 -173.87030 1218.03694
|
|
8635.0000 -186.17972 -175.60243 10.57730 3.20024 -174.12945 1196.37786
|
|
8640.0000 -189.37432 -176.55354 12.82079 3.10475 -175.88751 1128.36703
|
|
8645.0000 -188.47608 -175.85209 12.62399 3.13354 -175.35738 1129.46445
|
|
8650.0000 -188.20327 -177.39265 10.81062 3.07153 -176.49910 1097.33839
|
|
8655.0000 -188.06949 -174.29202 13.77747 3.09689 -176.03215 1154.11642
|
|
8660.0000 -188.08949 -174.12298 13.96652 3.21585 -173.84196 1223.45279
|
|
8665.0000 -186.12816 -173.95019 12.17797 3.27321 -172.78590 1264.89538
|
|
8670.0000 -186.61894 -175.80674 10.81221 3.12449 -175.52400 1168.19968
|
|
8675.0000 -188.35159 -176.85985 11.49174 3.09619 -176.04512 1112.82026
|
|
8680.0000 -189.40543 -177.12275 12.28269 3.08570 -176.23829 1137.47592
|
|
8685.0000 -187.30709 -173.87754 13.42954 3.10394 -175.90235 1147.52435
|
|
8690.0000 -184.10721 -171.55552 12.55169 3.23219 -173.54122 1210.59583
|
|
8695.0000 -184.69149 -170.75335 13.93814 3.34696 -171.42816 1268.90736
|
|
8700.0000 -184.42961 -171.03598 13.39362 3.41198 -170.23094 1312.38522
|
|
8705.0000 -186.26851 -174.43628 11.83223 3.25991 -173.03070 1245.92023
|
|
8710.0000 -184.75602 -172.89973 11.85628 3.19184 -174.28409 1184.85232
|
|
8715.0000 -185.37614 -174.48907 10.88707 3.21794 -173.80343 1209.83206
|
|
8720.0000 -188.16506 -174.92166 13.24339 3.13688 -175.29586 1150.73639
|
|
8725.0000 -186.45004 -174.17626 12.27378 3.21527 -173.85259 1216.87499
|
|
8730.0000 -186.41495 -175.24550 11.16946 3.16647 -174.75115 1157.11856
|
|
8735.0000 -188.73643 -176.39989 12.33654 3.09943 -175.98537 1141.17562
|
|
8740.0000 -186.86727 -174.62243 12.24485 3.08702 -176.21397 1139.96858
|
|
8745.0000 -187.06462 -175.38202 11.68261 3.10998 -175.79112 1145.31010
|
|
8750.0000 -187.80945 -176.10613 11.70332 3.10735 -175.83959 1173.64173
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 23.8962056 [s].
|
|
main_MD> Deallocating global variables
|