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_18.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 = 18 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: 18 1800
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main_MD> Size of nv and nvoiz: 18 1800
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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 = 18
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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> -6.8845524145188283E-002 1.5802041308417988E-002 2.2150258155001268E-002 initial drift of cluster / NP1 for coalescence
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init> 0.40300007812716898 0.35106254603535580 0.27492525996928968 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.8750486178812666E-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) -0.63662 -0.29889 0.04571
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force_rgl> df(natom) 0.03211 -0.61730 -1.32167
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preparo> THERMALIZATION PROCESS AT 304.78783996604710
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -41.462931123216066 0.65760679114272325 -42.120537914358792 3.9878574600028631E-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= 330.00000000000000
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main_MD> interactions number 1 at Temperature= 330.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.59904 -0.91895 -1.66751
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force_rgl> df(natom) 1.77718 0.71970 3.55847
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5.0000 -42.59636 -41.69846 0.89790 1.67562 -41.59138 338.23041
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10.0000 -42.40334 -41.66794 0.73540 1.67554 -41.59189 330.34823
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15.0000 -42.32101 -41.45760 0.86341 1.67429 -41.60052 335.51322
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20.0000 -42.18666 -41.69345 0.49322 1.67733 -41.57960 327.44498
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25.0000 -42.39584 -41.77546 0.62037 1.65473 -41.73486 316.97845
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30.0000 -42.44537 -41.73779 0.70758 1.66002 -41.69849 304.37997
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35.0000 -42.01061 -41.13847 0.87215 1.69699 -41.44460 359.60757
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40.0000 -42.39746 -41.47987 0.91759 1.72494 -41.25262 377.95869
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45.0000 -42.50469 -41.69596 0.80873 1.70886 -41.36308 390.75956
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50.0000 -41.78720 -41.24821 0.53899 1.70499 -41.38964 367.60121
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55.0000 -42.41651 -41.74881 0.66770 1.67036 -41.62749 320.84157
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60.0000 -42.49149 -41.92387 0.56762 1.62853 -41.91481 281.17576
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65.0000 -42.51528 -41.83011 0.68517 1.63977 -41.83761 289.67615
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70.0000 -42.47685 -41.47551 1.00134 1.66868 -41.63905 321.41312
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75.0000 -42.31994 -41.48971 0.83024 1.68445 -41.53073 356.77743
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80.0000 -42.20619 -41.54576 0.66043 1.69045 -41.48953 362.99485
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85.0000 -42.67091 -41.61155 1.05935 1.68142 -41.55154 342.08114
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90.0000 -42.16387 -41.48376 0.68010 1.70097 -41.41724 377.77933
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95.0000 -42.63753 -41.43583 1.20170 1.69561 -41.45407 355.72407
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100.0000 -42.21113 -41.50238 0.70875 1.68933 -41.49722 353.51724
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105.0000 -42.35519 -41.49317 0.86202 1.69974 -41.42570 385.08336
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110.0000 -42.81926 -42.10906 0.71019 1.63870 -41.84494 286.70965
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115.0000 -42.74763 -41.99393 0.75370 1.62262 -41.95540 270.24426
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120.0000 -42.36791 -41.83725 0.53066 1.64868 -41.77643 305.27819
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125.0000 -42.38781 -41.64296 0.74485 1.66009 -41.69800 304.74391
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130.0000 -42.46357 -41.80748 0.65608 1.66131 -41.68967 304.28312
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135.0000 -42.11361 -41.38933 0.72428 1.66057 -41.69471 319.42614
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140.0000 -42.40725 -41.59561 0.81164 1.69333 -41.46973 347.51195
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145.0000 -42.46042 -41.20286 1.25756 1.69058 -41.48863 355.69428
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150.0000 -42.50217 -41.68652 0.81565 1.68665 -41.51563 347.02205
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155.0000 -42.42480 -41.77595 0.64884 1.63488 -41.87116 290.77211
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160.0000 -42.42632 -41.62567 0.80065 1.66372 -41.67309 315.73514
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165.0000 -42.39462 -41.64211 0.75251 1.66811 -41.64298 323.38281
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170.0000 -42.37024 -41.55629 0.81395 1.68356 -41.53686 342.16331
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175.0000 -42.38336 -41.50886 0.87450 1.68448 -41.53049 352.29225
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180.0000 -42.51019 -41.63824 0.87195 1.68374 -41.53562 342.06784
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185.0000 -42.36693 -41.59305 0.77388 1.66900 -41.63686 319.39530
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190.0000 -42.19765 -41.24850 0.94915 1.68045 -41.55817 342.89899
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195.0000 -42.14428 -41.50912 0.63516 1.72481 -41.25349 400.23709
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200.0000 -42.10039 -41.29307 0.80732 1.71353 -41.33098 392.46033
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205.0000 -42.22168 -41.50809 0.71359 1.71395 -41.32810 386.35885
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210.0000 -42.09405 -41.28282 0.81123 1.71613 -41.31311 392.18811
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215.0000 -42.00053 -41.18784 0.81269 1.71761 -41.30296 380.37297
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220.0000 -42.03874 -41.28335 0.75540 1.72030 -41.28449 374.26087
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225.0000 -42.34345 -41.22960 1.11385 1.72126 -41.27792 400.78363
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230.0000 -42.45915 -41.54256 0.91659 1.69407 -41.46467 342.95532
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235.0000 -42.14440 -41.14702 0.99738 1.69557 -41.45433 322.63731
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240.0000 -41.98499 -41.35367 0.63133 1.74542 -41.11196 409.19388
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245.0000 -42.26371 -41.49544 0.76827 1.70645 -41.37961 358.99499
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250.0000 -42.17388 -41.33194 0.84195 1.71686 -41.30810 383.85848
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MELTING PROCESS: loop number 2 T-loop= 355.00000000000000
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main_MD> interactions number 2 at Temperature= 355.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.01213 1.81145 -1.88412
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force_rgl> df(natom) -2.98708 0.10318 2.23747
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255.0000 -42.23629 -41.23390 1.00239 1.71896 -41.29367 388.53752
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260.0000 -42.09227 -41.24611 0.84616 1.69659 -41.44731 376.96010
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265.0000 -42.22042 -41.35373 0.86668 1.68792 -41.50691 362.78248
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270.0000 -42.54429 -41.79610 0.74819 1.69280 -41.47335 349.47741
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275.0000 -42.40448 -41.55578 0.84870 1.66389 -41.67194 330.51991
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280.0000 -42.11540 -41.29909 0.81631 1.70580 -41.38407 374.99417
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285.0000 -42.34166 -41.53348 0.80818 1.70282 -41.40453 359.51544
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290.0000 -42.23531 -41.30364 0.93167 1.69226 -41.47708 355.03517
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295.0000 -42.36592 -41.45173 0.91419 1.71277 -41.33623 383.91806
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300.0000 -42.18523 -41.20586 0.97937 1.69514 -41.45732 365.36043
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305.0000 -42.37950 -41.67126 0.70824 1.66474 -41.66608 319.12621
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310.0000 -42.34489 -41.74607 0.59882 1.65425 -41.73817 289.73919
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315.0000 -42.22628 -41.56724 0.65904 1.65793 -41.71285 300.24089
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320.0000 -42.29778 -41.69220 0.60558 1.64996 -41.76760 285.90914
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325.0000 -42.28481 -41.41346 0.87135 1.67828 -41.57312 314.23692
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330.0000 -42.33785 -41.64989 0.68796 1.67419 -41.60117 327.83673
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335.0000 -42.38798 -41.29198 1.09600 1.70763 -41.37148 392.53982
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340.0000 -41.98351 -41.23758 0.74593 1.71806 -41.29990 402.26168
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345.0000 -42.07008 -40.93074 1.13934 1.73284 -41.19838 405.18661
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350.0000 -41.93656 -40.99423 0.94233 1.76837 -40.95436 468.14392
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355.0000 -42.12483 -41.25146 0.87337 1.72954 -41.22104 409.01794
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360.0000 -42.18764 -41.32899 0.85866 1.70879 -41.36357 357.95903
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365.0000 -42.45804 -41.58845 0.86959 1.71533 -41.31865 392.18126
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370.0000 -42.32298 -41.57648 0.74650 1.69409 -41.46452 349.97106
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375.0000 -42.47792 -41.64468 0.83324 1.67019 -41.62866 311.37208
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380.0000 -42.32634 -41.26587 1.06047 1.71174 -41.34327 366.33058
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385.0000 -42.13660 -41.27566 0.86094 1.70387 -41.39731 367.39773
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390.0000 -42.04168 -41.24619 0.79549 1.71225 -41.33975 368.93809
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395.0000 -42.11889 -41.29289 0.82600 1.70571 -41.38470 376.00869
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400.0000 -42.45749 -41.58350 0.87399 1.68782 -41.50754 348.61060
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405.0000 -42.46986 -41.53381 0.93604 1.70569 -41.38487 362.96720
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410.0000 -42.22123 -41.32347 0.89775 1.70940 -41.35936 374.26400
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415.0000 -42.45408 -41.39923 1.05485 1.70396 -41.39669 369.15726
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420.0000 -42.17336 -41.56229 0.61106 1.70386 -41.39739 378.15187
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425.0000 -42.53076 -41.59183 0.93893 1.67823 -41.57347 352.55642
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430.0000 -42.28359 -41.81418 0.46941 1.67197 -41.61642 351.02337
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435.0000 -42.23783 -41.47258 0.76525 1.67826 -41.57326 339.94515
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440.0000 -42.34704 -41.49866 0.84838 1.71407 -41.32728 393.32618
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445.0000 -42.46203 -41.63731 0.82472 1.67994 -41.56170 328.33147
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450.0000 -42.62226 -41.74271 0.87956 1.67491 -41.59625 352.11176
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455.0000 -42.43752 -41.69510 0.74243 1.64318 -41.81417 302.81019
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460.0000 -42.53234 -41.79188 0.74046 1.67294 -41.60977 333.79824
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465.0000 -42.13889 -41.44751 0.69138 1.66655 -41.65368 324.50920
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470.0000 -42.47924 -41.39471 1.08453 1.70476 -41.39125 363.46128
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475.0000 -42.17657 -41.31918 0.85739 1.71113 -41.34745 379.68015
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480.0000 -42.32548 -41.50525 0.82023 1.70766 -41.37127 324.07442
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485.0000 -42.32744 -41.46219 0.86525 1.70014 -41.42298 333.32288
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490.0000 -42.41292 -41.65227 0.76065 1.67652 -41.58519 329.67064
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495.0000 -42.21072 -41.59182 0.61889 1.66416 -41.67005 312.46274
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500.0000 -42.33192 -41.70504 0.62688 1.67142 -41.62021 333.99980
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MELTING PROCESS: loop number 3 T-loop= 380.00000000000000
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main_MD> interactions number 3 at Temperature= 380.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.50125 3.04706 1.64474
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force_rgl> df(natom) -0.06794 -1.38729 0.13961
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505.0000 -42.11865 -41.39993 0.71873 1.70879 -41.36354 396.12431
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510.0000 -42.60034 -41.73582 0.86452 1.67685 -41.58293 318.95947
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515.0000 -42.19063 -41.39023 0.80040 1.68900 -41.49949 351.23339
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520.0000 -42.06798 -41.23016 0.83782 1.68383 -41.53494 334.41654
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525.0000 -42.13353 -41.01423 1.11931 1.74612 -41.10718 428.11451
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530.0000 -42.33905 -41.26919 1.06986 1.70792 -41.36949 374.60472
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535.0000 -42.46618 -41.78483 0.68135 1.69008 -41.49207 342.81403
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540.0000 -42.32544 -41.70507 0.62037 1.63971 -41.83797 284.51233
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545.0000 -42.32435 -41.43187 0.89249 1.67173 -41.61809 324.68422
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550.0000 -42.03068 -41.18084 0.84985 1.73619 -41.17532 411.99395
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555.0000 -42.37052 -41.60827 0.76225 1.70481 -41.39088 362.82869
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560.0000 -42.22744 -41.32641 0.90103 1.69807 -41.43717 380.26381
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565.0000 -42.36876 -41.34216 1.02660 1.71496 -41.32117 389.58274
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570.0000 -42.18033 -41.33267 0.84766 1.73930 -41.15402 400.04787
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575.0000 -41.92726 -41.15313 0.77413 1.73591 -41.17728 418.59332
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580.0000 -42.23303 -41.30133 0.93170 1.72817 -41.23042 391.64986
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585.0000 -42.42930 -41.53482 0.89448 1.69153 -41.48207 351.29442
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590.0000 -42.25705 -41.52272 0.73434 1.67068 -41.62530 320.24304
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595.0000 -42.39452 -41.71882 0.67569 1.67958 -41.56416 332.25784
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600.0000 -42.56069 -41.76116 0.79953 1.64983 -41.76851 284.14943
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605.0000 -42.28770 -41.70364 0.58406 1.68510 -41.52622 339.16940
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610.0000 -42.56583 -41.90265 0.66318 1.64254 -41.81859 277.40040
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615.0000 -42.31227 -41.42096 0.89130 1.68570 -41.52210 342.44496
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620.0000 -42.48639 -41.68012 0.80627 1.68117 -41.55326 341.18608
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625.0000 -42.34649 -41.79935 0.54714 1.64280 -41.81679 284.42457
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630.0000 -42.23611 -41.63170 0.60441 1.66617 -41.65625 304.21717
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635.0000 -42.36736 -41.24780 1.11956 1.68530 -41.52488 339.90333
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640.0000 -42.00357 -41.31741 0.68616 1.76005 -41.01148 466.07004
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645.0000 -42.43898 -41.35690 1.08209 1.72852 -41.22803 392.46667
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650.0000 -42.37115 -41.30577 1.06538 1.70992 -41.35576 392.79133
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655.0000 -41.96174 -40.86988 1.09186 1.77692 -40.89559 467.55532
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660.0000 -42.07089 -41.29443 0.77645 1.74395 -41.12209 418.33238
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665.0000 -42.30523 -41.27557 1.02966 1.71772 -41.30219 386.40802
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670.0000 -42.31107 -41.45768 0.85338 1.68702 -41.51305 357.94897
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675.0000 -42.37930 -41.65326 0.72604 1.67506 -41.59521 324.38905
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680.0000 -42.46140 -41.60641 0.85499 1.66906 -41.63645 329.37210
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685.0000 -41.68032 -40.78486 0.89546 1.71185 -41.34254 385.08478
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690.0000 -42.04579 -40.95940 1.08639 1.77577 -40.90350 479.63024
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695.0000 -41.81758 -40.89750 0.92008 1.75185 -41.06783 451.91939
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700.0000 -42.07257 -41.00574 1.06683 1.79067 -40.80117 492.89956
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705.0000 -42.43217 -41.67544 0.75673 1.73141 -41.20816 422.09107
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710.0000 -42.13696 -40.94476 1.19221 1.70089 -41.41781 360.70655
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715.0000 -42.30994 -41.17047 1.13947 1.77948 -40.87804 454.67078
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720.0000 -42.42760 -41.63125 0.79636 1.71286 -41.33561 395.31815
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725.0000 -42.30615 -41.32156 0.98459 1.69164 -41.48134 366.70076
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730.0000 -42.20870 -41.27781 0.93089 1.71320 -41.33329 377.37386
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735.0000 -42.08474 -40.98476 1.09998 1.72610 -41.24465 396.07960
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740.0000 -42.40957 -41.74484 0.66472 1.69719 -41.44320 358.15304
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745.0000 -42.13147 -41.35236 0.77910 1.67384 -41.60357 317.54001
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750.0000 -42.23261 -41.18733 1.04528 1.70671 -41.37783 379.18101
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MELTING PROCESS: loop number 4 T-loop= 405.00000000000000
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main_MD> interactions number 4 at Temperature= 405.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.25292 1.09611 -1.06223
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force_rgl> df(natom) 0.83555 -1.00198 1.92052
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755.0000 -42.27949 -41.42687 0.85263 1.72919 -41.22346 406.29823
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760.0000 -42.22921 -40.97799 1.25122 1.73224 -41.20249 428.97039
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765.0000 -41.88061 -40.87335 1.00726 1.76726 -40.96193 446.12447
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770.0000 -42.15761 -40.92538 1.23223 1.79577 -40.76615 486.29501
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775.0000 -41.54062 -40.42005 1.12058 1.78724 -40.82470 498.24529
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780.0000 -42.10564 -40.49826 1.60738 1.81557 -40.63013 536.68687
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785.0000 -42.16209 -41.07584 1.08626 1.82739 -40.54898 545.98605
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790.0000 -42.34881 -41.27263 1.07618 1.73628 -41.17473 393.92901
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795.0000 -42.27871 -41.38965 0.88906 1.70408 -41.39586 380.33838
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800.0000 -42.35895 -41.48950 0.86945 1.69495 -41.45857 362.10030
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805.0000 -42.16722 -41.25999 0.90723 1.70305 -41.40297 370.46518
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810.0000 -42.23144 -41.21239 1.01905 1.72827 -41.22973 405.87716
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815.0000 -42.20222 -41.27145 0.93076 1.73508 -41.18298 427.06021
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820.0000 -42.00796 -40.91071 1.09726 1.72498 -41.25231 389.90792
|
|
825.0000 -42.06092 -41.02360 1.03732 1.72571 -41.24733 399.55522
|
|
830.0000 -41.92917 -41.03189 0.89728 1.73661 -41.17244 410.11903
|
|
835.0000 -42.13486 -41.20646 0.92840 1.74762 -41.09686 407.96029
|
|
840.0000 -42.05006 -41.05102 0.99905 1.75932 -41.01648 439.27546
|
|
845.0000 -41.89391 -41.02517 0.86874 1.75172 -41.06871 433.09639
|
|
850.0000 -42.09857 -41.32255 0.77603 1.77192 -40.92997 471.50814
|
|
855.0000 -42.09960 -41.04951 1.05010 1.72761 -41.23431 408.16405
|
|
860.0000 -41.97463 -40.84718 1.12745 1.75775 -41.02727 431.67720
|
|
865.0000 -42.06804 -41.01123 1.05682 1.76089 -41.00569 425.85002
|
|
870.0000 -42.04073 -41.19927 0.84146 1.75429 -41.05105 426.49883
|
|
875.0000 -42.50926 -41.64400 0.86526 1.71090 -41.34904 373.27939
|
|
880.0000 -42.42347 -41.53814 0.88533 1.66148 -41.68847 314.91165
|
|
885.0000 -42.15525 -41.27011 0.88515 1.70596 -41.38299 373.14085
|
|
890.0000 -41.97253 -41.05237 0.92016 1.72380 -41.26043 374.43610
|
|
895.0000 -42.01353 -40.93486 1.07867 1.75732 -41.03024 449.76244
|
|
900.0000 -41.97084 -40.90948 1.06136 1.75561 -41.04200 383.97186
|
|
905.0000 -42.08556 -41.08823 0.99733 1.79507 -40.77096 470.16142
|
|
910.0000 -42.10843 -41.27051 0.83793 1.73988 -41.14998 441.02232
|
|
915.0000 -42.16014 -41.14218 1.01796 1.73631 -41.17451 416.33858
|
|
920.0000 -41.99307 -41.18721 0.80586 1.73667 -41.17205 429.36030
|
|
925.0000 -42.22156 -41.37327 0.84829 1.69998 -41.42404 372.28088
|
|
930.0000 -42.14373 -41.14228 1.00145 1.73748 -41.16647 417.83799
|
|
935.0000 -42.10982 -41.28689 0.82292 1.75554 -41.04243 431.98613
|
|
940.0000 -42.20396 -41.40484 0.79912 1.71067 -41.35066 359.46720
|
|
945.0000 -42.37511 -41.56279 0.81232 1.69211 -41.47809 333.05390
|
|
950.0000 -42.56120 -41.68522 0.87598 1.67435 -41.60007 335.67346
|
|
955.0000 -42.54115 -41.33148 1.20967 1.71428 -41.32586 392.22471
|
|
960.0000 -42.33516 -41.18472 1.15044 1.74507 -41.11435 438.96406
|
|
965.0000 -41.86942 -40.80539 1.06403 1.72234 -41.27047 404.77083
|
|
970.0000 -42.03054 -41.20132 0.82922 1.74660 -41.10384 434.81058
|
|
975.0000 -41.80929 -40.84723 0.96206 1.75104 -41.07334 427.16476
|
|
980.0000 -42.14745 -41.14731 1.00014 1.73721 -41.16835 410.11021
|
|
985.0000 -42.19268 -41.54832 0.64436 1.71149 -41.34502 391.21339
|
|
990.0000 -41.91660 -41.26347 0.65313 1.69665 -41.44695 347.13191
|
|
995.0000 -41.96871 -41.01252 0.95619 1.78201 -40.86068 466.39093
|
|
1000.0000 -42.20139 -41.24560 0.95579 1.75636 -41.03684 429.00880
|
|
MELTING PROCESS: loop number 5 T-loop= 430.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 430.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.56203 4.79811 1.19803
|
|
force_rgl> df(natom) 0.68218 2.06660 -2.37254
|
|
1005.0000 -42.23986 -41.21661 1.02326 1.75230 -41.06472 436.31120
|
|
1010.0000 -42.44694 -41.30733 1.13961 1.72685 -41.23950 395.18477
|
|
1015.0000 -41.92641 -41.15998 0.76643 1.73612 -41.17581 394.62565
|
|
1020.0000 -41.90051 -41.02676 0.87376 1.75955 -41.01488 446.00953
|
|
1025.0000 -42.47928 -41.53942 0.93986 1.73789 -41.16366 414.30409
|
|
1030.0000 -42.11295 -41.25184 0.86112 1.69964 -41.42640 378.09556
|
|
1035.0000 -41.71026 -40.77563 0.93463 1.78598 -40.83336 500.58446
|
|
1040.0000 -42.21736 -40.69177 1.52559 1.76106 -41.00452 437.90882
|
|
1045.0000 -41.78708 -40.89816 0.88892 1.77657 -40.89802 476.15121
|
|
1050.0000 -42.00741 -40.94630 1.06111 1.76694 -40.96414 463.40995
|
|
1055.0000 -41.99908 -40.64923 1.34985 1.79797 -40.75100 490.56293
|
|
1060.0000 -42.12068 -40.84233 1.27835 1.79634 -40.76221 481.88431
|
|
1065.0000 -42.12896 -41.04422 1.08475 1.77702 -40.89489 474.80546
|
|
1070.0000 -41.82758 -40.45014 1.37744 1.80858 -40.67817 485.41512
|
|
1075.0000 -41.81604 -40.78549 1.03055 1.83120 -40.52282 511.76541
|
|
1080.0000 -42.31137 -41.31703 0.99434 1.72963 -41.22042 411.03201
|
|
1085.0000 -41.83449 -41.07571 0.75878 1.71343 -41.33165 392.66164
|
|
1090.0000 -41.50592 -40.48819 1.01774 1.78093 -40.86803 467.87127
|
|
1095.0000 -42.11161 -41.04746 1.06415 1.78830 -40.81742 464.25237
|
|
1100.0000 -42.13854 -41.02960 1.10894 1.77041 -40.94034 453.64072
|
|
1105.0000 -41.87987 -40.93229 0.94759 1.77199 -40.92946 454.89533
|
|
1110.0000 -42.02996 -41.12494 0.90503 1.74220 -41.13409 392.70781
|
|
1115.0000 -41.58549 -40.43046 1.15503 1.77049 -40.93979 455.94213
|
|
1120.0000 -42.02582 -41.01018 1.01564 1.76554 -40.97376 437.05312
|
|
1125.0000 -42.11681 -40.93460 1.18221 1.78273 -40.85567 469.29476
|
|
1130.0000 -42.40799 -41.47988 0.92811 1.71760 -41.30304 379.93814
|
|
1135.0000 -41.98846 -41.37304 0.61543 1.71133 -41.34610 368.94081
|
|
1140.0000 -42.15669 -41.25734 0.89935 1.73381 -41.19172 404.44448
|
|
1145.0000 -42.13288 -41.19918 0.93370 1.73776 -41.16455 425.28529
|
|
1150.0000 -41.98130 -40.81508 1.16622 1.75390 -41.05374 406.05069
|
|
1155.0000 -42.23874 -40.71035 1.52839 1.78084 -40.86867 447.66218
|
|
1160.0000 -42.19192 -40.85172 1.34020 1.78473 -40.84198 471.76948
|
|
1165.0000 -42.37191 -41.37128 1.00063 1.73766 -41.16522 424.21220
|
|
1170.0000 -42.17819 -41.19993 0.97826 1.73347 -41.19402 415.48824
|
|
1175.0000 -41.93919 -40.84093 1.09826 1.78872 -40.81458 505.30683
|
|
1180.0000 -41.94366 -41.36942 0.57424 1.74172 -41.13737 410.02110
|
|
1185.0000 -42.26428 -41.58398 0.68030 1.66803 -41.64351 312.51244
|
|
1190.0000 -42.18470 -41.36261 0.82209 1.69533 -41.45598 339.96460
|
|
1195.0000 -42.14782 -40.95756 1.19026 1.71114 -41.34738 377.44463
|
|
1200.0000 -41.86249 -40.96969 0.89280 1.77268 -40.92473 433.66591
|
|
1205.0000 -41.84770 -41.06681 0.78089 1.75969 -41.01393 429.56108
|
|
1210.0000 -42.28622 -41.20716 1.07906 1.74642 -41.10508 409.79264
|
|
1215.0000 -41.91591 -40.45096 1.46495 1.78519 -40.83882 508.35553
|
|
1220.0000 -41.58078 -40.32859 1.25219 1.88342 -40.16411 626.41800
|
|
1225.0000 -42.44786 -41.11661 1.33125 1.81153 -40.65787 528.25260
|
|
1230.0000 -42.25535 -41.41833 0.83701 1.73154 -41.20725 406.70540
|
|
1235.0000 -41.94396 -41.05120 0.89276 1.72709 -41.23788 402.69000
|
|
1240.0000 -42.11187 -41.05200 1.05987 1.75926 -41.01691 454.20399
|
|
1245.0000 -42.04403 -41.43857 0.60546 1.71417 -41.32658 372.96264
|
|
1250.0000 -42.00581 -41.24689 0.75892 1.70489 -41.39035 353.57044
|
|
MELTING PROCESS: loop number 6 T-loop= 455.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 455.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.15548 -0.25307 -1.90039
|
|
force_rgl> df(natom) -1.45996 0.68738 -0.12636
|
|
1255.0000 -42.01195 -40.65646 1.35549 1.76971 -40.94513 437.49952
|
|
1260.0000 -41.95618 -41.07121 0.88496 1.76149 -41.00160 428.52591
|
|
1265.0000 -42.04542 -40.58949 1.45593 1.81111 -40.66076 503.65197
|
|
1270.0000 -41.92230 -40.88429 1.03801 1.83119 -40.52286 550.31139
|
|
1275.0000 -42.02921 -40.87681 1.15240 1.78858 -40.81554 501.35277
|
|
1280.0000 -41.67144 -40.45788 1.21356 1.82793 -40.54522 540.86921
|
|
1285.0000 -41.68503 -40.73486 0.95017 1.78922 -40.81115 445.16283
|
|
1290.0000 -41.77321 -40.90211 0.87110 1.78580 -40.83458 460.44460
|
|
1295.0000 -41.97325 -41.13016 0.84309 1.74715 -41.10007 438.50866
|
|
1300.0000 -42.10809 -41.03731 1.07078 1.73455 -41.18658 427.86947
|
|
1305.0000 -42.47214 -41.52064 0.95151 1.70310 -41.40261 376.01391
|
|
1310.0000 -41.92158 -40.61891 1.30267 1.74160 -41.13823 428.15387
|
|
1315.0000 -42.05132 -41.14169 0.90962 1.76647 -40.96738 462.10814
|
|
1320.0000 -42.04578 -41.06297 0.98281 1.75514 -41.04518 439.16599
|
|
1325.0000 -42.23592 -41.23035 1.00557 1.73073 -41.21283 411.79374
|
|
1330.0000 -41.75938 -40.68094 1.07844 1.75200 -41.06679 424.79827
|
|
1335.0000 -41.74853 -40.77524 0.97329 1.81983 -40.60087 509.23904
|
|
1340.0000 -42.04604 -40.79652 1.24952 1.77487 -40.90969 457.40300
|
|
1345.0000 -41.74934 -40.92467 0.82466 1.78178 -40.86220 452.37007
|
|
1350.0000 -41.81402 -40.54529 1.26873 1.80247 -40.72011 508.17642
|
|
1355.0000 -42.22776 -41.20889 1.01887 1.77634 -40.89962 487.27141
|
|
1360.0000 -42.14373 -41.46071 0.68302 1.70426 -41.39468 349.78429
|
|
1365.0000 -41.82176 -41.08566 0.73610 1.75408 -41.05250 428.92276
|
|
1370.0000 -42.05250 -41.17669 0.87581 1.73840 -41.16018 392.95624
|
|
1375.0000 -41.84554 -40.58863 1.25692 1.77811 -40.88746 466.91528
|
|
1380.0000 -42.15914 -41.07099 1.08815 1.77472 -40.91074 477.26750
|
|
1385.0000 -41.97602 -41.24751 0.72851 1.75352 -41.05630 453.17128
|
|
1390.0000 -42.22013 -41.28969 0.93044 1.73128 -41.20908 402.91367
|
|
1395.0000 -41.50219 -40.53525 0.96695 1.80975 -40.67013 490.18816
|
|
1400.0000 -41.47576 -40.41188 1.06388 1.82414 -40.57128 506.33538
|
|
1405.0000 -41.94805 -40.74970 1.19835 1.82635 -40.55610 503.33202
|
|
1410.0000 -42.00211 -40.99663 1.00547 1.76771 -40.95888 464.00369
|
|
1415.0000 -41.87691 -41.11139 0.76552 1.76833 -40.95460 473.97176
|
|
1420.0000 -41.99532 -41.21473 0.78059 1.73154 -41.20731 398.35140
|
|
1425.0000 -41.85124 -40.94549 0.90575 1.73889 -41.15677 415.05225
|
|
1430.0000 -42.31292 -41.05090 1.26202 1.77801 -40.88812 484.35236
|
|
1435.0000 -41.57282 -40.40850 1.16431 1.76707 -40.96329 460.23996
|
|
1440.0000 -42.13682 -40.99525 1.14157 1.79480 -40.77277 483.32131
|
|
1445.0000 -42.25751 -41.31740 0.94011 1.71836 -41.29782 385.31440
|
|
1450.0000 -42.24049 -41.04616 1.19433 1.72239 -41.27017 380.69959
|
|
1455.0000 -42.07582 -40.71835 1.35748 1.79808 -40.75026 502.06611
|
|
1460.0000 -41.98166 -40.42598 1.55568 1.80493 -40.70322 492.58245
|
|
1465.0000 -42.23368 -40.96697 1.26671 1.81664 -40.62282 527.04013
|
|
1470.0000 -41.85118 -40.30540 1.54577 1.83536 -40.49421 532.87615
|
|
1475.0000 -41.52066 -40.26521 1.25545 1.85589 -40.35324 535.43544
|
|
1480.0000 -41.91773 -39.93539 1.98234 1.85967 -40.32727 561.47770
|
|
1485.0000 -41.83102 -40.92099 0.91003 1.83537 -40.49412 523.73783
|
|
1490.0000 -42.31756 -41.30736 1.01020 1.75857 -41.02162 411.14567
|
|
1495.0000 -42.13339 -41.32196 0.81143 1.73035 -41.21543 408.84747
|
|
1500.0000 -42.32612 -41.22313 1.10299 1.73018 -41.21662 386.93778
|
|
MELTING PROCESS: loop number 7 T-loop= 480.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 480.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.24500 -3.36328 -1.26362
|
|
force_rgl> df(natom) -0.36357 -0.39762 -2.86638
|
|
1505.0000 -41.93694 -40.82599 1.11095 1.73747 -41.16654 419.92893
|
|
1510.0000 -42.29687 -41.53873 0.75813 1.74778 -41.09573 431.40634
|
|
1515.0000 -42.19965 -41.47770 0.72196 1.69506 -41.45787 379.14692
|
|
1520.0000 -42.29813 -41.42663 0.87150 1.69238 -41.47626 363.43445
|
|
1525.0000 -42.04699 -41.09538 0.95161 1.71574 -41.31584 371.96110
|
|
1530.0000 -42.11079 -41.04017 1.07061 1.74179 -41.13686 395.35746
|
|
1535.0000 -42.24207 -41.01281 1.22926 1.75967 -41.01408 447.52883
|
|
1540.0000 -42.34509 -41.24750 1.09759 1.73480 -41.18488 416.84656
|
|
1545.0000 -42.39806 -41.53825 0.85981 1.67878 -41.56968 348.68686
|
|
1550.0000 -42.14724 -41.05704 1.09020 1.71677 -41.30875 391.03719
|
|
1555.0000 -42.49944 -41.68106 0.81838 1.74010 -41.14849 429.17026
|
|
1560.0000 -41.84883 -41.14884 0.69999 1.71127 -41.34654 370.53753
|
|
1565.0000 -42.35438 -41.50475 0.84963 1.72369 -41.26123 395.49693
|
|
1570.0000 -42.18926 -41.23122 0.95804 1.73178 -41.20561 412.84495
|
|
1575.0000 -42.04491 -40.72737 1.31754 1.76821 -40.95545 462.36191
|
|
1580.0000 -41.98615 -40.92290 1.06325 1.79023 -40.80420 462.65986
|
|
1585.0000 -42.13978 -40.77859 1.36119 1.77105 -40.93595 468.33395
|
|
1590.0000 -41.92480 -40.92248 1.00233 1.76788 -40.95773 456.81271
|
|
1595.0000 -42.06995 -41.32941 0.74054 1.74942 -41.08451 431.58178
|
|
1600.0000 -41.92799 -40.93200 0.99599 1.73862 -41.15866 421.56914
|
|
1605.0000 -41.91949 -40.71873 1.20077 1.76340 -40.98846 455.73031
|
|
1610.0000 -42.06059 -41.05388 1.00671 1.77775 -40.88988 466.63329
|
|
1615.0000 -41.82549 -40.82768 0.99781 1.77622 -40.90039 429.60796
|
|
1620.0000 -42.23147 -41.34576 0.88571 1.77804 -40.88792 441.05804
|
|
1625.0000 -42.09552 -41.25943 0.83610 1.73309 -41.19663 388.48538
|
|
1630.0000 -41.59590 -40.66267 0.93323 1.74765 -41.09665 400.71589
|
|
1635.0000 -41.72938 -40.36605 1.36333 1.84689 -40.41502 535.35698
|
|
1640.0000 -41.80908 -40.70999 1.09909 1.86472 -40.29255 581.29399
|
|
1645.0000 -41.68532 -40.56418 1.12114 1.80854 -40.67840 480.76951
|
|
1650.0000 -41.59156 -40.64457 0.94698 1.80332 -40.71429 437.90561
|
|
1655.0000 -41.60540 -40.52984 1.07556 1.79968 -40.73929 505.71777
|
|
1660.0000 -42.25287 -41.15403 1.09884 1.76132 -41.00276 455.86843
|
|
1665.0000 -41.81558 -40.78996 1.02562 1.76198 -40.99823 450.21835
|
|
1670.0000 -42.11248 -40.76125 1.35123 1.80535 -40.70033 550.51742
|
|
1675.0000 -41.74859 -40.39631 1.35228 1.83960 -40.46509 553.52597
|
|
1680.0000 -41.85564 -40.41391 1.44173 1.84439 -40.43219 541.17237
|
|
1685.0000 -42.28419 -41.18220 1.10199 1.76457 -40.98042 455.94058
|
|
1690.0000 -42.35553 -41.39938 0.95616 1.70757 -41.37191 380.34095
|
|
1695.0000 -41.92993 -41.08553 0.84440 1.73507 -41.18305 405.87614
|
|
1700.0000 -41.96274 -40.92913 1.03361 1.76588 -40.97143 450.36845
|
|
1705.0000 -42.07784 -40.97569 1.10216 1.77220 -40.92806 468.54611
|
|
1710.0000 -41.92511 -40.78471 1.14040 1.81558 -40.63009 499.10382
|
|
1715.0000 -41.76963 -40.67179 1.09784 1.77492 -40.90935 482.12001
|
|
1720.0000 -41.64616 -40.58749 1.05868 1.83870 -40.47127 533.83123
|
|
1725.0000 -42.09208 -40.82704 1.26503 1.79072 -40.80084 476.59962
|
|
1730.0000 -42.36531 -41.27639 1.08892 1.74504 -41.11458 425.72773
|
|
1735.0000 -42.18981 -41.38769 0.80212 1.69605 -41.45106 366.62026
|
|
1740.0000 -41.84143 -40.83689 1.00454 1.79309 -40.78454 466.60827
|
|
1745.0000 -41.50859 -40.37394 1.13465 1.83532 -40.49450 529.00151
|
|
1750.0000 -42.06791 -40.76055 1.30737 1.80042 -40.73420 507.65152
|
|
MELTING PROCESS: loop number 8 T-loop= 505.00000000000000
|
|
main_MD> interactions number 8 at Temperature= 505.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.42249 -3.48704 4.99404
|
|
force_rgl> df(natom) -0.82954 -4.67855 -1.31513
|
|
1755.0000 -41.87113 -40.75593 1.11520 1.78603 -40.83303 493.38744
|
|
1760.0000 -42.16717 -40.88212 1.28505 1.77757 -40.89117 445.54887
|
|
1765.0000 -42.22696 -41.07136 1.15560 1.75836 -41.02309 451.89314
|
|
1770.0000 -41.83777 -40.44998 1.38779 1.75122 -41.07211 451.67752
|
|
1775.0000 -41.72631 -40.61695 1.10936 1.83063 -40.52668 564.28066
|
|
1780.0000 -41.99997 -40.70671 1.29327 1.81532 -40.63188 526.95156
|
|
1785.0000 -42.12074 -41.13212 0.98862 1.79864 -40.74639 489.14289
|
|
1790.0000 -41.63959 -40.81377 0.82582 1.77083 -40.93742 467.84448
|
|
1795.0000 -42.07295 -41.16921 0.90373 1.76183 -40.99926 445.76265
|
|
1800.0000 -41.65600 -40.53209 1.12391 1.79636 -40.76207 498.42044
|
|
1805.0000 -41.97713 -40.85463 1.12250 1.81996 -40.60002 518.62047
|
|
1810.0000 -41.98256 -40.63173 1.35083 1.78218 -40.85947 462.25520
|
|
1815.0000 -41.87518 -40.69691 1.17827 1.81798 -40.61356 527.08524
|
|
1820.0000 -41.84684 -40.33923 1.50761 1.80634 -40.69354 530.34032
|
|
1825.0000 -41.36369 -40.04110 1.32260 1.88253 -40.17022 595.54450
|
|
1830.0000 -41.82014 -40.55972 1.26043 1.86266 -40.30670 551.74764
|
|
1835.0000 -41.89475 -40.58325 1.31150 1.81459 -40.63690 511.41244
|
|
1840.0000 -41.98447 -40.78131 1.20316 1.81377 -40.64251 479.56608
|
|
1845.0000 -41.85431 -40.85045 1.00387 1.82727 -40.54982 531.25974
|
|
1850.0000 -42.08001 -40.80562 1.27440 1.76137 -41.00241 458.79448
|
|
1855.0000 -42.08903 -41.18442 0.90460 1.76834 -40.95451 458.38677
|
|
1860.0000 -41.75232 -40.61205 1.14027 1.76820 -40.95548 468.43284
|
|
1865.0000 -41.79106 -40.64902 1.14203 1.79881 -40.74524 482.72554
|
|
1870.0000 -41.70742 -41.01540 0.69202 1.79026 -40.80395 451.84772
|
|
1875.0000 -41.78253 -40.65492 1.12761 1.80502 -40.70258 451.17657
|
|
1880.0000 -41.86900 -40.75197 1.11704 1.78935 -40.81020 463.06882
|
|
1885.0000 -41.47237 -39.93181 1.54056 1.83283 -40.51159 537.92281
|
|
1890.0000 -41.69085 -40.44833 1.24251 1.82963 -40.53359 539.82225
|
|
1895.0000 -42.19651 -40.96218 1.23433 1.82454 -40.56855 515.64782
|
|
1900.0000 -41.58427 -40.47578 1.10848 1.81779 -40.61493 510.12856
|
|
1905.0000 -41.56843 -40.63766 0.93077 1.84050 -40.45891 518.36645
|
|
1910.0000 -42.08808 -41.23316 0.85493 1.79847 -40.74761 470.19832
|
|
1915.0000 -42.15011 -41.16679 0.98333 1.72458 -41.25512 410.31997
|
|
1920.0000 -42.26015 -40.56101 1.69915 1.75423 -41.05147 443.86179
|
|
1925.0000 -41.91495 -41.08718 0.82777 1.78556 -40.83627 475.33372
|
|
1930.0000 -41.52281 -40.63256 0.89026 1.76484 -40.97856 436.40618
|
|
1935.0000 -41.92267 -40.82778 1.09489 1.80725 -40.68732 499.34349
|
|
1940.0000 -41.38903 -40.28971 1.09932 1.83836 -40.47361 525.23494
|
|
1945.0000 -41.76928 -40.22877 1.54050 1.85318 -40.37185 563.91207
|
|
1950.0000 -41.46941 -40.25660 1.21281 1.88665 -40.14192 586.16742
|
|
1955.0000 -41.87659 -40.59669 1.27989 1.87523 -40.22038 573.66949
|
|
1960.0000 -42.00383 -40.66426 1.33957 1.81777 -40.61503 525.86241
|
|
1965.0000 -41.69967 -40.48750 1.21216 1.81913 -40.60570 500.09312
|
|
1970.0000 -41.76375 -40.73525 1.02851 1.82512 -40.56452 521.50404
|
|
1975.0000 -41.92229 -40.77445 1.14785 1.79003 -40.80558 493.24364
|
|
1980.0000 -42.06178 -40.94864 1.11314 1.80862 -40.67787 502.46069
|
|
1985.0000 -42.08995 -40.55533 1.53462 1.80453 -40.70600 515.84563
|
|
1990.0000 -41.71681 -40.42721 1.28960 1.84146 -40.45234 553.33642
|
|
1995.0000 -41.91590 -40.91155 1.00435 1.82263 -40.58165 504.98698
|
|
2000.0000 -41.65029 -40.66341 0.98687 1.77343 -40.91958 453.51485
|
|
MELTING PROCESS: loop number 9 T-loop= 530.00000000000000
|
|
main_MD> interactions number 9 at Temperature= 530.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.38287 -0.97338 -0.24608
|
|
force_rgl> df(natom) -1.39049 0.87044 0.15798
|
|
2005.0000 -41.93859 -40.78713 1.15146 1.79841 -40.74803 481.43426
|
|
2010.0000 -41.85669 -40.58745 1.26924 1.79085 -40.79990 478.63197
|
|
2015.0000 -41.93271 -41.02850 0.90421 1.82529 -40.56338 512.72300
|
|
2020.0000 -41.42494 -40.31581 1.10913 1.82024 -40.59809 517.27934
|
|
2025.0000 -41.40537 -40.21373 1.19164 1.85796 -40.33899 574.09038
|
|
2030.0000 -41.03687 -39.80360 1.23328 1.92688 -39.86565 646.58975
|
|
2035.0000 -41.56701 -40.22182 1.34519 1.88211 -40.17312 564.52386
|
|
2040.0000 -41.34056 -39.86751 1.47305 1.90592 -40.00961 625.49690
|
|
2045.0000 -41.62455 -40.21295 1.41160 1.89444 -40.08847 593.07542
|
|
2050.0000 -42.10309 -40.41168 1.69140 1.85174 -40.38172 560.05111
|
|
2055.0000 -41.47260 -40.47307 0.99952 1.85360 -40.36893 541.02520
|
|
2060.0000 -42.09991 -40.70805 1.39186 1.79814 -40.74988 503.46650
|
|
2065.0000 -42.11256 -40.74530 1.36726 1.81686 -40.62126 522.93421
|
|
2070.0000 -41.76935 -40.45911 1.31024 1.80305 -40.71611 535.43278
|
|
2075.0000 -41.79009 -40.82353 0.96656 1.82025 -40.59803 544.31674
|
|
2080.0000 -41.98291 -40.62832 1.35459 1.77947 -40.87812 493.65972
|
|
2085.0000 -41.63903 -40.64184 0.99719 1.84321 -40.44033 559.94644
|
|
2090.0000 -41.73626 -40.86268 0.87357 1.78635 -40.83081 415.52260
|
|
2095.0000 -41.29171 -40.02342 1.26829 1.83436 -40.50111 518.47767
|
|
2100.0000 -41.89001 -40.36680 1.52322 1.86477 -40.29220 580.89207
|
|
2105.0000 -41.35343 -40.51341 0.84001 1.84839 -40.40471 534.75938
|
|
2110.0000 -41.23576 -40.06148 1.17428 1.89838 -40.06138 585.77584
|
|
2115.0000 -41.79342 -40.71140 1.08202 1.84905 -40.40016 540.50742
|
|
2120.0000 -41.90403 -40.76989 1.13414 1.80505 -40.70240 506.97418
|
|
2125.0000 -41.99376 -40.52277 1.47099 1.78809 -40.81888 483.30340
|
|
2130.0000 -41.75533 -40.64342 1.11191 1.86670 -40.27900 551.38387
|
|
2135.0000 -41.74307 -40.55106 1.19202 1.81960 -40.60245 524.62363
|
|
2140.0000 -41.83567 -40.63472 1.20095 1.82246 -40.58285 523.32468
|
|
2145.0000 -42.21384 -41.02811 1.18573 1.79740 -40.75492 484.19769
|
|
2150.0000 -41.59949 -40.79057 0.80892 1.77842 -40.88529 468.39557
|
|
2155.0000 -42.03189 -41.15656 0.87533 1.77464 -40.91130 461.55497
|
|
2160.0000 -41.96404 -40.82962 1.13442 1.79683 -40.75883 509.52239
|
|
2165.0000 -41.66691 -40.32876 1.33816 1.81319 -40.64646 517.59518
|
|
2170.0000 -41.77671 -40.45003 1.32669 1.83341 -40.50762 540.19394
|
|
2175.0000 -41.61990 -40.60154 1.01837 1.85189 -40.38069 529.88682
|
|
2180.0000 -41.58164 -39.84605 1.73559 1.83474 -40.49850 544.10634
|
|
2185.0000 -41.79183 -40.50942 1.28241 1.87025 -40.25460 606.71407
|
|
2190.0000 -41.55238 -39.98606 1.56632 1.84332 -40.43953 558.98285
|
|
2195.0000 -42.05230 -41.15129 0.90101 1.83286 -40.51141 529.12946
|
|
2200.0000 -41.75048 -40.47451 1.27597 1.78377 -40.84858 468.94993
|
|
2205.0000 -42.23226 -40.95351 1.27876 1.79722 -40.75619 487.26384
|
|
2210.0000 -41.90093 -40.66927 1.23166 1.77175 -40.93110 464.70168
|
|
2215.0000 -42.14542 -40.58653 1.55889 1.82226 -40.58422 531.21357
|
|
2220.0000 -42.28223 -41.01327 1.26897 1.80201 -40.72328 496.90714
|
|
2225.0000 -41.95780 -40.14630 1.81149 1.78430 -40.84495 476.84185
|
|
2230.0000 -41.75536 -40.17361 1.58176 1.91930 -39.91768 663.69545
|
|
2235.0000 -41.38896 -40.24444 1.14453 1.81469 -40.63618 510.58160
|
|
2240.0000 -41.88837 -40.56639 1.32199 1.81292 -40.64837 509.19604
|
|
2245.0000 -41.95357 -40.94183 1.01174 1.78034 -40.87211 476.25107
|
|
2250.0000 -41.91831 -40.23458 1.68373 1.83493 -40.49716 513.43542
|
|
MELTING PROCESS: loop number 10 T-loop= 555.00000000000000
|
|
main_MD> interactions number 10 at Temperature= 555.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.33873 -1.24364 0.42963
|
|
force_rgl> df(natom) 0.82192 0.02253 2.44040
|
|
2255.0000 -42.02171 -41.16245 0.85925 1.82083 -40.59403 524.75280
|
|
2260.0000 -41.26067 -39.84558 1.41510 1.85356 -40.36922 541.90581
|
|
2265.0000 -41.47628 -39.53284 1.94345 1.93213 -39.82957 629.76794
|
|
2270.0000 -41.38132 -39.77488 1.60644 1.98716 -39.45163 678.32383
|
|
2275.0000 -41.36670 -39.91853 1.44817 1.94093 -39.76913 688.75571
|
|
2280.0000 -41.70564 -40.19255 1.51309 1.90437 -40.02028 603.14263
|
|
2285.0000 -42.02038 -40.67607 1.34430 1.85153 -40.38317 600.54028
|
|
2290.0000 -41.44480 -40.06939 1.37541 1.83083 -40.52535 525.02032
|
|
2295.0000 -41.60316 -40.07062 1.53254 1.90983 -39.98276 602.36329
|
|
2300.0000 -41.74698 -40.11188 1.63510 1.91774 -39.92841 599.16336
|
|
2305.0000 -41.56286 -40.21560 1.34726 1.90245 -40.03345 608.82417
|
|
2310.0000 -41.76742 -40.70103 1.06639 1.81518 -40.63284 486.27838
|
|
2315.0000 -41.36714 -40.15840 1.20874 1.88805 -40.13231 584.99189
|
|
2320.0000 -41.52367 -40.12428 1.39940 1.87285 -40.23676 566.17829
|
|
2325.0000 -41.10828 -40.09423 1.01405 1.91906 -39.91937 631.50231
|
|
2330.0000 -41.67234 -40.29726 1.37507 1.87863 -40.19702 575.53537
|
|
2335.0000 -41.38999 -39.54310 1.84689 1.92956 -39.84721 627.80297
|
|
2340.0000 -41.34350 -39.55093 1.79257 1.92350 -39.88887 632.49230
|
|
2345.0000 -41.49182 -40.24361 1.24821 1.89765 -40.06639 612.97872
|
|
2350.0000 -41.71364 -40.29211 1.42153 1.83854 -40.47241 565.33941
|
|
2355.0000 -41.80150 -40.53138 1.27012 1.85738 -40.34302 572.42021
|
|
2360.0000 -40.91670 -39.52750 1.38920 1.92047 -39.90965 607.13925
|
|
2365.0000 -41.60907 -40.67359 0.93547 1.88689 -40.14027 623.14319
|
|
2370.0000 -41.50495 -40.65029 0.85467 1.82087 -40.59376 507.40605
|
|
2375.0000 -42.04748 -40.91264 1.13484 1.82930 -40.53585 499.52840
|
|
2380.0000 -42.18565 -41.13386 1.05179 1.77786 -40.88915 465.78505
|
|
2385.0000 -41.79253 -40.48210 1.31042 1.77609 -40.90129 418.88332
|
|
2390.0000 -41.93537 -40.08772 1.84765 1.86351 -40.30089 543.01124
|
|
2395.0000 -41.43060 -40.10727 1.32332 1.88485 -40.15434 603.25609
|
|
2400.0000 -41.56535 -40.25874 1.30660 1.85514 -40.35838 593.84556
|
|
2405.0000 -41.54714 -40.31884 1.22830 1.83968 -40.46458 544.53625
|
|
2410.0000 -42.08574 -41.03875 1.04698 1.81005 -40.66805 500.40035
|
|
2415.0000 -41.82147 -40.88455 0.93692 1.76652 -40.96703 446.07205
|
|
2420.0000 -42.29846 -41.15056 1.14789 1.74357 -41.12463 430.48706
|
|
2425.0000 -41.17368 -39.88517 1.28851 1.83433 -40.50132 562.59491
|
|
2430.0000 -41.54048 -39.85492 1.68556 1.93918 -39.78119 672.86437
|
|
2435.0000 -41.28213 -39.35471 1.92742 1.91042 -39.97869 612.17497
|
|
2440.0000 -41.64118 -40.67174 0.96944 1.90700 -40.00221 620.56929
|
|
2445.0000 -41.74035 -40.86766 0.87269 1.80336 -40.71402 464.84466
|
|
2450.0000 -41.46668 -40.17504 1.29164 1.86663 -40.27948 558.40915
|
|
2455.0000 -41.60880 -40.45033 1.15847 1.84891 -40.40119 500.77846
|
|
2460.0000 -41.96846 -40.98659 0.98187 1.80064 -40.73272 452.60230
|
|
2465.0000 -42.07657 -40.70031 1.37626 1.81023 -40.66685 482.75218
|
|
2470.0000 -41.43078 -39.83886 1.59192 1.88620 -40.14502 610.46071
|
|
2475.0000 -41.52986 -40.04872 1.48114 1.91315 -39.95997 710.57393
|
|
2480.0000 -41.46367 -39.99469 1.46899 1.89072 -40.11401 594.80640
|
|
2485.0000 -41.13429 -40.25431 0.87998 1.90147 -40.04013 618.50758
|
|
2490.0000 -42.06180 -40.90220 1.15960 1.82938 -40.53531 524.73731
|
|
2495.0000 -42.16310 -40.57829 1.58480 1.82368 -40.57444 536.31536
|
|
2500.0000 -42.04070 -40.79409 1.24661 1.77939 -40.87866 478.45613
|
|
MELTING PROCESS: loop number 11 T-loop= 580.00000000000000
|
|
main_MD> interactions number 11 at Temperature= 580.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.08206 -0.48929 0.88456
|
|
force_rgl> df(natom) 0.25845 -0.91299 -0.69551
|
|
2505.0000 -41.78122 -40.20577 1.57545 1.82631 -40.55639 552.05319
|
|
2510.0000 -41.22815 -40.26558 0.96257 1.86212 -40.31041 571.59272
|
|
2515.0000 -41.18387 -39.74800 1.43587 1.84819 -40.40610 549.44347
|
|
2520.0000 -41.43962 -39.63707 1.80255 1.97613 -39.52737 750.44077
|
|
2525.0000 -41.50912 -40.44122 1.06790 1.91911 -39.91901 637.45290
|
|
2530.0000 -41.35375 -40.00879 1.34496 1.89967 -40.05250 602.89749
|
|
2535.0000 -41.24695 -40.19910 1.04785 1.90157 -40.03944 629.80581
|
|
2540.0000 -41.99735 -40.50122 1.49613 1.87758 -40.20424 587.18612
|
|
2545.0000 -41.37332 -40.32924 1.04407 1.84123 -40.45394 526.31089
|
|
2550.0000 -41.84937 -40.28816 1.56120 1.84194 -40.44901 559.56908
|
|
2555.0000 -41.41292 -40.20827 1.20465 1.85346 -40.36993 543.69295
|
|
2560.0000 -41.84632 -40.60764 1.23868 1.83816 -40.47501 552.30956
|
|
2565.0000 -41.97403 -40.49906 1.47496 1.87071 -40.25141 577.91597
|
|
2570.0000 -41.70243 -40.14911 1.55332 1.81796 -40.61374 511.30741
|
|
2575.0000 -41.86081 -40.72585 1.13496 1.86572 -40.28571 564.47821
|
|
2580.0000 -41.89710 -40.56022 1.33688 1.82444 -40.56923 528.98323
|
|
2585.0000 -41.46175 -39.93118 1.53057 1.88432 -40.15798 568.63512
|
|
2590.0000 -41.39920 -40.11343 1.28577 1.88010 -40.18692 588.98457
|
|
2595.0000 -41.55640 -40.08915 1.46725 1.90625 -40.00732 612.16273
|
|
2600.0000 -41.68924 -40.37808 1.31117 1.88263 -40.16957 596.10336
|
|
2605.0000 -41.34028 -40.09831 1.24197 1.88665 -40.14197 605.27189
|
|
2610.0000 -41.27525 -39.29108 1.98417 1.90362 -40.02541 638.92502
|
|
2615.0000 -41.99957 -40.43617 1.56341 1.89736 -40.06839 637.04691
|
|
2620.0000 -41.58898 -39.85192 1.73705 1.89898 -40.05728 613.95849
|
|
2625.0000 -41.45379 -40.34059 1.11320 1.90033 -40.04798 629.32724
|
|
2630.0000 -41.70899 -40.60393 1.10506 1.84288 -40.44256 558.35513
|
|
2635.0000 -41.44809 -39.81497 1.63313 1.83756 -40.47914 568.51186
|
|
2640.0000 -40.85245 -39.71394 1.13852 1.94133 -39.76643 661.02338
|
|
2645.0000 -41.46933 -40.45844 1.01089 1.87789 -40.20211 582.55972
|
|
2650.0000 -41.16972 -40.33350 0.83622 1.88640 -40.14369 545.43725
|
|
2655.0000 -41.75815 -40.15571 1.60244 1.91829 -39.92463 616.35656
|
|
2660.0000 -40.97338 -39.77981 1.19357 1.89443 -40.08851 620.33486
|
|
2665.0000 -41.95223 -40.08735 1.86488 1.89684 -40.07199 636.20162
|
|
2670.0000 -41.10589 -39.65651 1.44938 1.96198 -39.62453 705.23969
|
|
2675.0000 -40.98128 -38.84806 2.13322 1.98637 -39.45704 709.88489
|
|
2680.0000 -41.70700 -40.32499 1.38200 1.98616 -39.45847 687.09801
|
|
2685.0000 -42.03497 -41.17520 0.85977 1.83829 -40.47413 535.85738
|
|
2690.0000 -41.76995 -40.93254 0.83741 1.76786 -40.95785 434.20476
|
|
2695.0000 -41.71857 -40.18238 1.53619 1.85910 -40.33116 550.71615
|
|
2700.0000 -41.78618 -40.52756 1.25862 1.82939 -40.53522 511.75181
|
|
2705.0000 -41.60271 -40.28587 1.31684 1.83813 -40.47519 551.97751
|
|
2710.0000 -41.99258 -40.65800 1.33458 1.84862 -40.40312 586.53795
|
|
2715.0000 -41.41519 -40.37373 1.04146 1.81394 -40.64132 497.69812
|
|
2720.0000 -41.95879 -40.55568 1.40311 1.83963 -40.46491 548.47678
|
|
2725.0000 -41.74189 -40.34118 1.40071 1.85994 -40.32540 578.80021
|
|
2730.0000 -41.15272 -39.99305 1.15967 1.89286 -40.09932 633.14377
|
|
2735.0000 -41.16304 -39.62608 1.53696 1.93185 -39.83148 605.82042
|
|
2740.0000 -41.47023 -40.04130 1.42893 1.90415 -40.02176 563.24748
|
|
2745.0000 -41.43420 -40.28357 1.15063 1.88293 -40.16750 644.82974
|
|
2750.0000 -41.95825 -40.67362 1.28463 1.83845 -40.47302 559.69801
|
|
MELTING PROCESS: loop number 12 T-loop= 605.00000000000000
|
|
main_MD> interactions number 12 at Temperature= 605.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.09283 0.61283 4.66284
|
|
force_rgl> df(natom) -0.60268 -0.27716 1.80948
|
|
2755.0000 -41.95036 -40.82764 1.12271 1.79905 -40.74363 481.85052
|
|
2760.0000 -41.43031 -40.07861 1.35170 1.86469 -40.29281 568.24122
|
|
2765.0000 -42.18701 -40.83159 1.35542 1.85100 -40.38681 567.29935
|
|
2770.0000 -41.60343 -40.18444 1.41899 1.79684 -40.75877 499.11230
|
|
2775.0000 -41.21608 -39.98121 1.23487 1.87027 -40.25446 599.55098
|
|
2780.0000 -41.08736 -39.93533 1.15203 1.91620 -39.93897 648.23396
|
|
2785.0000 -41.25910 -39.74088 1.51822 1.94093 -39.76914 667.34841
|
|
2790.0000 -41.60294 -40.22472 1.37821 1.87356 -40.23187 574.85929
|
|
2795.0000 -41.36050 -40.35214 1.00835 1.86059 -40.32095 515.97092
|
|
2800.0000 -41.63277 -40.67421 0.95856 1.85666 -40.34795 546.00161
|
|
2805.0000 -41.89560 -40.77005 1.12555 1.82371 -40.57426 519.51704
|
|
2810.0000 -41.76343 -40.58287 1.18056 1.84188 -40.44943 534.60911
|
|
2815.0000 -41.46213 -40.01435 1.44779 1.86570 -40.28581 576.06709
|
|
2820.0000 -41.43184 -40.53911 0.89273 1.89179 -40.10667 617.49953
|
|
2825.0000 -41.94042 -39.91609 2.02433 1.93519 -39.80853 686.33684
|
|
2830.0000 -41.60724 -40.34287 1.26438 1.89041 -40.11611 596.84671
|
|
2835.0000 -41.47434 -40.38590 1.08844 1.87664 -40.21067 606.89151
|
|
2840.0000 -41.72790 -40.56404 1.16386 1.82345 -40.57603 523.24316
|
|
2845.0000 -40.75727 -39.07301 1.68425 1.87442 -40.22595 581.01303
|
|
2850.0000 -41.40926 -39.94236 1.46690 1.93574 -39.80477 638.43426
|
|
2855.0000 -41.33836 -40.39400 0.94436 1.89323 -40.09677 607.09301
|
|
2860.0000 -41.55582 -39.97424 1.58158 1.92718 -39.86355 588.39695
|
|
2865.0000 -41.71482 -40.34280 1.37202 1.85046 -40.39051 554.94188
|
|
2870.0000 -41.63197 -40.17434 1.45764 1.87309 -40.23507 578.15952
|
|
2875.0000 -41.75218 -40.09958 1.65260 1.87784 -40.20247 585.35770
|
|
2880.0000 -41.55892 -40.27825 1.28067 1.86656 -40.27992 572.94567
|
|
2885.0000 -41.39394 -40.00679 1.38715 1.88271 -40.16898 613.29272
|
|
2890.0000 -41.35941 -39.98494 1.37447 1.89199 -40.10530 585.01003
|
|
2895.0000 -41.00169 -39.77673 1.22496 1.93450 -39.81328 664.65143
|
|
2900.0000 -40.89520 -39.61023 1.28497 1.97374 -39.54380 699.30730
|
|
2905.0000 -41.51628 -40.46386 1.05242 1.93225 -39.82875 643.81933
|
|
2910.0000 -41.43594 -40.46233 0.97361 1.86165 -40.31363 554.12230
|
|
2915.0000 -41.21615 -40.01792 1.19823 1.85775 -40.34044 568.18913
|
|
2920.0000 -41.13539 -39.94510 1.19030 1.94889 -39.71449 684.36240
|
|
2925.0000 -41.19961 -40.08812 1.11150 1.92328 -39.89037 676.75299
|
|
2930.0000 -41.30135 -40.18233 1.11902 1.90170 -40.03861 626.25066
|
|
2935.0000 -41.55583 -40.34406 1.21178 1.88494 -40.15372 585.76212
|
|
2940.0000 -41.75721 -39.83351 1.92370 1.89791 -40.06462 613.67056
|
|
2945.0000 -41.63032 -40.47562 1.15469 1.90341 -40.02685 648.03176
|
|
2950.0000 -41.88786 -40.50930 1.37855 1.82770 -40.54685 530.34495
|
|
2955.0000 -41.63773 -40.05635 1.58138 1.84146 -40.45230 517.78140
|
|
2960.0000 -41.59118 -40.12647 1.46471 1.89901 -40.05703 609.37592
|
|
2965.0000 -40.68148 -39.13837 1.54311 1.94726 -39.72565 652.32202
|
|
2970.0000 -40.88316 -39.62492 1.25824 1.95212 -39.69226 691.39827
|
|
2975.0000 -41.41017 -39.86023 1.54994 1.95854 -39.64819 650.72552
|
|
2980.0000 -41.19521 -39.03527 2.15994 2.01067 -39.29013 750.26176
|
|
2985.0000 -41.19066 -40.31625 0.87442 1.97660 -39.52417 694.82584
|
|
2990.0000 -41.24144 -39.71248 1.52896 1.96222 -39.62289 720.76841
|
|
2995.0000 -41.60867 -40.03677 1.57190 1.93926 -39.78064 663.11666
|
|
3000.0000 -41.76867 -40.51715 1.25152 1.87239 -40.23991 614.63392
|
|
MELTING PROCESS: loop number 13 T-loop= 630.00000000000000
|
|
main_MD> interactions number 13 at Temperature= 630.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.38343 -0.20785 0.70604
|
|
force_rgl> df(natom) -1.78148 1.72814 -0.02634
|
|
3005.0000 -41.60676 -40.05504 1.55172 1.87709 -40.20761 605.76453
|
|
3010.0000 -41.69412 -39.84191 1.85221 1.91761 -39.92932 630.65387
|
|
3015.0000 -41.18312 -39.55376 1.62936 1.96139 -39.62859 678.88429
|
|
3020.0000 -41.57789 -39.57755 2.00034 1.95261 -39.68890 679.14331
|
|
3025.0000 -40.41935 -39.31455 1.10480 1.99126 -39.42346 722.45413
|
|
3030.0000 -41.00419 -39.54991 1.45428 1.97821 -39.51309 699.88458
|
|
3035.0000 -41.61668 -39.86604 1.75064 1.93530 -39.80782 663.61990
|
|
3040.0000 -40.89742 -39.30305 1.59437 1.98494 -39.46686 707.11171
|
|
3045.0000 -41.28339 -39.59391 1.68948 2.01027 -39.29286 726.96407
|
|
3050.0000 -41.19644 -39.95755 1.23888 1.95279 -39.68767 705.00312
|
|
3055.0000 -40.85046 -39.57694 1.27352 1.92388 -39.88623 624.66061
|
|
3060.0000 -41.37434 -40.32535 1.04899 1.88965 -40.12135 611.31529
|
|
3065.0000 -41.63451 -40.27361 1.36090 1.87007 -40.25585 577.89336
|
|
3070.0000 -41.55398 -40.51419 1.03979 1.85502 -40.35921 548.50369
|
|
3075.0000 -41.61355 -40.17733 1.43622 1.85143 -40.38383 561.74263
|
|
3080.0000 -41.55086 -40.23298 1.31788 1.87329 -40.23369 565.25366
|
|
3085.0000 -41.65159 -39.89570 1.75589 1.89094 -40.11249 584.17268
|
|
3090.0000 -41.47430 -39.62747 1.84684 1.94920 -39.71235 671.92342
|
|
3095.0000 -41.19747 -39.90457 1.29290 1.93855 -39.78549 639.35802
|
|
3100.0000 -41.33070 -39.63465 1.69605 1.97734 -39.51909 683.73971
|
|
3105.0000 -40.89682 -38.81267 2.08415 2.02086 -39.22013 790.08704
|
|
3110.0000 -41.30088 -39.38312 1.91776 2.07433 -38.85290 812.86515
|
|
3115.0000 -41.18630 -39.63033 1.55597 1.94915 -39.71268 654.39259
|
|
3120.0000 -41.26498 -39.40417 1.86081 1.97823 -39.51292 717.00554
|
|
3125.0000 -41.63435 -39.82652 1.80784 1.94864 -39.71617 641.97023
|
|
3130.0000 -41.45245 -39.80809 1.64435 1.90753 -39.99852 627.42744
|
|
3135.0000 -41.52080 -39.88226 1.63855 1.94573 -39.73617 664.82013
|
|
3140.0000 -42.08120 -40.44506 1.63614 1.85838 -40.33614 592.09950
|
|
3145.0000 -41.63253 -40.27229 1.36023 1.86054 -40.32130 581.56336
|
|
3150.0000 -41.60924 -40.01465 1.59459 1.89681 -40.07216 627.34666
|
|
3155.0000 -41.78881 -39.92253 1.86628 1.90373 -40.02460 626.41706
|
|
3160.0000 -41.53049 -40.08204 1.44845 1.91013 -39.98068 640.06608
|
|
3165.0000 -41.30721 -40.06364 1.24357 1.87736 -40.20579 552.94679
|
|
3170.0000 -41.82869 -40.56821 1.26048 1.84481 -40.42930 559.41556
|
|
3175.0000 -42.02721 -40.68953 1.33768 1.78392 -40.84753 489.40464
|
|
3180.0000 -41.04338 -39.66804 1.37534 1.85738 -40.34298 579.91584
|
|
3185.0000 -41.13381 -39.66669 1.46712 1.94069 -39.77079 634.43708
|
|
3190.0000 -40.48622 -38.68807 1.79815 2.02570 -39.18694 709.48984
|
|
3195.0000 -41.05973 -39.78465 1.27508 1.99161 -39.42103 697.05472
|
|
3200.0000 -41.33232 -39.31080 2.02151 1.97445 -39.53895 692.78385
|
|
3205.0000 -40.70134 -39.66082 1.04053 1.91997 -39.91308 635.24656
|
|
3210.0000 -41.35654 -39.48325 1.87330 1.95800 -39.65190 644.71749
|
|
3215.0000 -41.85986 -40.65379 1.20607 1.90704 -40.00188 597.06500
|
|
3220.0000 -41.94475 -40.76673 1.17801 1.81868 -40.60877 505.39868
|
|
3225.0000 -41.37952 -40.08530 1.29421 1.86855 -40.26625 585.84919
|
|
3230.0000 -41.72238 -40.33013 1.39225 1.84140 -40.45276 560.90122
|
|
3235.0000 -42.00938 -40.57233 1.43705 1.87894 -40.19492 635.59480
|
|
3240.0000 -41.15085 -39.73513 1.41572 1.90348 -40.02633 606.27954
|
|
3245.0000 -41.56542 -40.21028 1.35515 1.91360 -39.95687 611.39112
|
|
3250.0000 -41.54471 -40.41292 1.13179 1.89690 -40.07152 596.87316
|
|
MELTING PROCESS: loop number 14 T-loop= 655.00000000000000
|
|
main_MD> interactions number 14 at Temperature= 655.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.76353 1.38897 0.49882
|
|
force_rgl> df(natom) -3.73545 0.00037 0.08872
|
|
3255.0000 -41.77169 -40.48264 1.28905 1.83193 -40.51775 546.59313
|
|
3260.0000 -41.62454 -40.34783 1.27672 1.85076 -40.38848 569.94529
|
|
3265.0000 -41.29500 -39.91424 1.38076 1.88256 -40.17001 554.77954
|
|
3270.0000 -41.31283 -39.80605 1.50678 1.95676 -39.66044 662.31505
|
|
3275.0000 -41.35582 -39.78160 1.57422 1.91783 -39.92777 661.39081
|
|
3280.0000 -41.06204 -39.81498 1.24705 1.97191 -39.55634 679.33466
|
|
3285.0000 -41.20287 -39.54007 1.66279 1.93255 -39.82666 668.01214
|
|
3290.0000 -41.46955 -40.35744 1.11211 1.96885 -39.57735 732.65391
|
|
3295.0000 -41.26092 -40.30089 0.96003 1.93643 -39.80006 708.29079
|
|
3300.0000 -41.40219 -40.29828 1.10391 1.87227 -40.24072 588.37357
|
|
3305.0000 -41.03754 -39.36468 1.67287 1.88925 -40.12413 611.85884
|
|
3310.0000 -41.51957 -39.90053 1.61904 2.00432 -39.33374 738.44342
|
|
3315.0000 -40.42109 -39.02557 1.39552 2.03555 -39.11927 779.66140
|
|
3320.0000 -41.15788 -39.85263 1.30524 2.03584 -39.11724 767.95284
|
|
3325.0000 -41.45834 -39.24719 2.21115 1.97658 -39.52428 725.71000
|
|
3330.0000 -41.68663 -39.79813 1.88850 2.01807 -39.23929 758.98477
|
|
3335.0000 -41.16897 -39.77358 1.39539 1.95105 -39.69961 670.71686
|
|
3340.0000 -41.40317 -39.45917 1.94400 1.95021 -39.70541 654.85578
|
|
3345.0000 -41.23545 -39.54587 1.68958 1.96425 -39.60896 720.14489
|
|
3350.0000 -40.92462 -39.11066 1.81396 2.01073 -39.28970 767.96013
|
|
3355.0000 -41.14842 -39.40461 1.74381 2.02503 -39.19152 781.42523
|
|
3360.0000 -41.25769 -39.70050 1.55720 1.98380 -39.47471 709.53865
|
|
3365.0000 -40.87773 -39.21873 1.65900 1.99571 -39.39290 706.26969
|
|
3370.0000 -41.28457 -39.28342 2.00115 1.94504 -39.74091 664.64708
|
|
3375.0000 -41.23286 -40.01595 1.21691 1.98669 -39.45483 707.83941
|
|
3380.0000 -41.74118 -40.19430 1.54688 1.87032 -40.25413 600.38896
|
|
3385.0000 -41.26971 -39.85494 1.41477 1.87369 -40.23098 566.43449
|
|
3390.0000 -40.76478 -39.54928 1.21550 1.93030 -39.84213 628.19172
|
|
3395.0000 -41.14639 -39.32586 1.82053 1.98159 -39.48984 709.09890
|
|
3400.0000 -41.08663 -39.26603 1.82060 2.00432 -39.33375 767.08655
|
|
3405.0000 -40.81094 -39.21928 1.59166 2.10288 -38.65680 820.28438
|
|
3410.0000 -41.45128 -39.44029 2.01100 2.01628 -39.25160 695.96883
|
|
3415.0000 -41.35318 -39.80621 1.54698 2.00055 -39.35962 716.37430
|
|
3420.0000 -41.30796 -40.39843 0.90953 1.83754 -40.47924 529.31610
|
|
3425.0000 -41.74133 -39.98484 1.75649 1.86815 -40.26904 563.21383
|
|
3430.0000 -41.14200 -39.31745 1.82455 1.89247 -40.10197 603.86261
|
|
3435.0000 -40.71045 -39.20189 1.50856 2.04663 -39.04319 751.76687
|
|
3440.0000 -40.91155 -39.31786 1.59369 1.99239 -39.41571 706.31561
|
|
3445.0000 -41.45630 -39.68287 1.77343 1.98173 -39.48889 713.86377
|
|
3450.0000 -40.90915 -39.15710 1.75205 1.97410 -39.54130 698.39281
|
|
3455.0000 -41.38959 -39.98712 1.40247 1.95868 -39.64726 665.03801
|
|
3460.0000 -40.83305 -39.46532 1.36773 1.92967 -39.84649 643.64291
|
|
3465.0000 -41.39871 -39.63705 1.76166 1.97191 -39.55635 739.57463
|
|
3470.0000 -41.00627 -39.67904 1.32723 1.94112 -39.76785 647.72009
|
|
3475.0000 -40.90583 -39.03565 1.87018 2.04857 -39.02980 731.01810
|
|
3480.0000 -40.27546 -38.28991 1.98555 2.10819 -38.62033 775.46703
|
|
3485.0000 -40.83758 -39.02995 1.80763 2.16285 -38.24493 903.10024
|
|
3490.0000 -40.92884 -39.23104 1.69780 2.00761 -39.31117 756.77208
|
|
3495.0000 -40.73790 -39.05601 1.68188 2.05379 -38.99400 782.23543
|
|
3500.0000 -41.23610 -39.55242 1.68367 2.04480 -39.05572 756.90810
|
|
MELTING PROCESS: loop number 15 T-loop= 680.00000000000000
|
|
main_MD> interactions number 15 at Temperature= 680.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.23073 0.17548 -1.59803
|
|
force_rgl> df(natom) -1.06518 1.17672 0.14090
|
|
3505.0000 -41.68492 -40.25630 1.42861 1.91742 -39.93064 623.39375
|
|
3510.0000 -41.28481 -39.61515 1.66965 1.94741 -39.72463 656.78742
|
|
3515.0000 -41.52730 -40.18795 1.33935 1.91325 -39.95925 620.71889
|
|
3520.0000 -41.35146 -40.30855 1.04291 1.88809 -40.13208 600.08477
|
|
3525.0000 -41.75465 -40.11553 1.63912 1.88616 -40.14533 595.85390
|
|
3530.0000 -41.36294 -39.80746 1.55547 1.89368 -40.09366 641.23786
|
|
3535.0000 -41.38139 -39.62707 1.75433 1.94907 -39.71321 677.53405
|
|
3540.0000 -41.69607 -39.84229 1.85378 1.91466 -39.94957 629.28940
|
|
3545.0000 -41.34565 -39.15118 2.19447 2.00097 -39.35674 745.64035
|
|
3550.0000 -41.41139 -39.79391 1.61748 1.93960 -39.77826 650.60903
|
|
3555.0000 -41.14388 -39.41705 1.72683 1.95581 -39.66694 704.48501
|
|
3560.0000 -40.96972 -39.52616 1.44356 1.96056 -39.63428 681.43668
|
|
3565.0000 -41.60108 -39.89343 1.70766 1.92115 -39.90496 636.92020
|
|
3570.0000 -41.61714 -39.79440 1.82274 1.89550 -40.08119 606.26327
|
|
3575.0000 -41.34753 -39.85448 1.49305 1.89273 -40.10018 623.11422
|
|
3580.0000 -41.71136 -40.48479 1.22656 1.88699 -40.13960 575.87680
|
|
3585.0000 -41.67499 -39.89297 1.78202 1.86787 -40.27096 548.79724
|
|
3590.0000 -41.21893 -39.81254 1.40638 1.89360 -40.09420 588.55062
|
|
3595.0000 -41.33352 -40.03272 1.30080 1.93353 -39.81999 698.73588
|
|
3600.0000 -41.75827 -40.30684 1.45143 1.88992 -40.11946 595.97691
|
|
3605.0000 -41.38087 -39.98045 1.40042 1.88945 -40.12273 630.31147
|
|
3610.0000 -40.65203 -39.12298 1.52905 1.96920 -39.57495 688.18697
|
|
3615.0000 -41.41111 -39.37793 2.03318 2.03230 -39.14162 759.31857
|
|
3620.0000 -41.32467 -40.17685 1.14782 1.94333 -39.75263 614.98677
|
|
3625.0000 -41.63996 -40.62223 1.01773 1.90176 -40.03817 617.84375
|
|
3630.0000 -41.41091 -39.67193 1.73898 1.90715 -40.00117 616.99135
|
|
3635.0000 -41.13298 -39.78962 1.34336 1.99118 -39.42403 753.63794
|
|
3640.0000 -41.50570 -39.23364 2.27206 1.94507 -39.74068 670.06969
|
|
3645.0000 -41.54980 -40.01466 1.53514 1.90116 -40.04228 636.75781
|
|
3650.0000 -41.85586 -40.36813 1.48773 1.89680 -40.07224 586.56931
|
|
3655.0000 -41.00371 -39.66968 1.33403 1.90905 -39.98808 577.58801
|
|
3660.0000 -41.52014 -39.88498 1.63516 1.95772 -39.65379 676.41824
|
|
3665.0000 -41.12963 -39.88603 1.24361 1.96998 -39.56961 684.48143
|
|
3670.0000 -41.25841 -38.56375 2.69466 1.97864 -39.51017 718.93976
|
|
3675.0000 -40.76266 -39.23403 1.52863 2.04908 -39.02637 795.42330
|
|
3680.0000 -41.19369 -39.78123 1.41246 1.97807 -39.51406 714.97381
|
|
3685.0000 -40.65161 -39.43589 1.21572 1.92690 -39.86548 647.10160
|
|
3690.0000 -41.36701 -39.76321 1.60380 1.94226 -39.75998 663.97917
|
|
3695.0000 -41.18131 -39.48156 1.69975 1.97429 -39.54000 701.09342
|
|
3700.0000 -41.52311 -39.84445 1.67867 1.94947 -39.71050 687.12028
|
|
3705.0000 -41.53322 -40.12699 1.40623 1.88642 -40.14352 620.73481
|
|
3710.0000 -41.37767 -39.64632 1.73135 1.93733 -39.79389 645.71864
|
|
3715.0000 -41.43381 -39.59762 1.83620 1.89630 -40.07566 600.40911
|
|
3720.0000 -41.49397 -39.86667 1.62730 1.95126 -39.69816 655.11010
|
|
3725.0000 -41.67271 -39.78504 1.88768 1.96730 -39.58806 679.98195
|
|
3730.0000 -41.47227 -40.22237 1.24991 1.90491 -40.01654 573.04004
|
|
3735.0000 -41.46086 -39.73085 1.73001 1.91015 -39.98057 625.53799
|
|
3740.0000 -41.53942 -39.93581 1.60361 1.93131 -39.83520 627.38196
|
|
3745.0000 -41.42021 -40.04914 1.37107 1.90180 -40.03790 647.17831
|
|
3750.0000 -41.18293 -39.72569 1.45725 1.91717 -39.93236 627.37219
|
|
MELTING PROCESS: loop number 16 T-loop= 705.00000000000000
|
|
main_MD> interactions number 16 at Temperature= 705.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.04896 -2.59491 2.55503
|
|
force_rgl> df(natom) -0.32162 -0.72656 -0.47530
|
|
3755.0000 -41.69586 -40.05195 1.64392 1.92722 -39.86330 722.24149
|
|
3760.0000 -41.09282 -39.09251 2.00031 2.00473 -39.33093 741.45941
|
|
3765.0000 -40.84469 -38.98404 1.86066 2.04376 -39.06287 793.65523
|
|
3770.0000 -41.07454 -38.65913 2.41541 2.10536 -38.63979 878.68763
|
|
3775.0000 -40.10420 -38.54414 1.56006 2.12715 -38.49009 878.91209
|
|
3780.0000 -41.34604 -39.52196 1.82408 2.00491 -39.32971 712.82315
|
|
3785.0000 -41.51702 -39.21958 2.29744 1.99666 -39.38640 731.52903
|
|
3790.0000 -41.20329 -39.18024 2.02305 2.03061 -39.15319 771.51647
|
|
3795.0000 -40.98847 -38.93786 2.05061 2.05029 -39.01803 787.52418
|
|
3800.0000 -41.54580 -39.63732 1.90848 2.04695 -39.04094 786.71825
|
|
3805.0000 -40.89434 -38.61449 2.27985 2.00039 -39.36075 777.17742
|
|
3810.0000 -40.29329 -38.49442 1.79887 2.08899 -38.75220 885.28455
|
|
3815.0000 -40.62438 -38.61189 2.01249 2.16441 -38.23421 934.61395
|
|
3820.0000 -41.23472 -39.45805 1.77667 2.06071 -38.94644 765.51148
|
|
3825.0000 -40.86973 -39.60600 1.26372 1.97849 -39.51118 686.75702
|
|
3830.0000 -41.19005 -39.48373 1.70632 1.96745 -39.58702 680.21559
|
|
3835.0000 -41.26853 -39.67728 1.59124 1.94908 -39.71315 686.57432
|
|
3840.0000 -40.92323 -39.14419 1.77904 1.99757 -39.38014 759.94391
|
|
3845.0000 -41.50983 -39.56776 1.94207 2.03686 -39.11024 775.57208
|
|
3850.0000 -41.39467 -39.88595 1.50872 2.00996 -39.29501 749.24174
|
|
3855.0000 -41.71070 -39.97827 1.73243 1.91255 -39.96406 641.73834
|
|
3860.0000 -41.39063 -39.73164 1.65898 1.90688 -40.00302 624.44719
|
|
3865.0000 -40.58159 -39.10068 1.48092 2.01944 -39.22992 691.28861
|
|
3870.0000 -41.14165 -39.50175 1.63990 2.00659 -39.31814 684.64345
|
|
3875.0000 -40.89494 -39.71240 1.18254 1.96606 -39.59651 729.03324
|
|
3880.0000 -41.09501 -39.76737 1.32764 1.97384 -39.54309 701.72155
|
|
3885.0000 -40.20040 -38.36649 1.83391 2.01742 -39.24375 739.86967
|
|
3890.0000 -41.06430 -39.46050 1.60380 2.06858 -38.89237 781.08230
|
|
3895.0000 -41.49061 -39.89898 1.59162 1.96527 -39.60200 667.57254
|
|
3900.0000 -41.52119 -40.43194 1.08924 1.84731 -40.41214 550.82916
|
|
3905.0000 -41.25046 -39.99420 1.25625 1.92852 -39.85435 650.95782
|
|
3910.0000 -41.01052 -40.14150 0.86902 1.92098 -39.90617 643.26300
|
|
3915.0000 -41.93690 -40.39752 1.53938 1.90060 -40.04611 635.34301
|
|
3920.0000 -41.34966 -39.62653 1.72313 1.88830 -40.13061 613.22043
|
|
3925.0000 -41.37281 -39.04618 2.32663 1.94125 -39.76696 647.42443
|
|
3930.0000 -40.79942 -39.04212 1.75731 2.10869 -38.61690 896.82610
|
|
3935.0000 -41.10707 -39.32870 1.77837 2.00299 -39.34289 722.10436
|
|
3940.0000 -40.64676 -39.05591 1.59085 1.98001 -39.50073 709.55476
|
|
3945.0000 -40.50115 -38.30644 2.19472 2.08934 -38.74982 834.00190
|
|
3950.0000 -40.94261 -38.77886 2.16375 2.11048 -38.60463 852.20564
|
|
3955.0000 -40.62586 -39.20446 1.42139 2.08016 -38.81286 868.18997
|
|
3960.0000 -40.66773 -38.90138 1.76635 2.01763 -39.24234 768.58212
|
|
3965.0000 -40.92514 -39.27185 1.65328 2.01290 -39.27480 695.44622
|
|
3970.0000 -40.90672 -39.86933 1.03739 1.97718 -39.52013 713.92576
|
|
3975.0000 -41.02235 -39.14406 1.87829 1.95978 -39.63966 674.39641
|
|
3980.0000 -40.36654 -38.57575 1.79079 1.99302 -39.41136 712.29817
|
|
3985.0000 -40.83939 -39.67126 1.16813 2.03440 -39.12715 774.27979
|
|
3990.0000 -41.12894 -39.47436 1.65458 1.97658 -39.52429 706.85767
|
|
3995.0000 -41.51945 -39.47740 2.04204 2.01972 -39.22796 777.89309
|
|
4000.0000 -41.46187 -39.40222 2.05965 1.96805 -39.58284 701.76289
|
|
MELTING PROCESS: loop number 17 T-loop= 730.00000000000000
|
|
main_MD> interactions number 17 at Temperature= 730.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.51233 -3.37734 -1.37600
|
|
force_rgl> df(natom) 2.32747 1.29887 8.88124
|
|
4005.0000 -40.46712 -38.83667 1.63045 2.03862 -39.09815 717.54291
|
|
4010.0000 -40.80601 -38.67139 2.13462 2.07585 -38.84245 854.86440
|
|
4015.0000 -39.69456 -37.93646 1.75810 2.14342 -38.37840 878.30993
|
|
4020.0000 -40.53254 -39.03502 1.49752 2.13363 -38.44561 846.32734
|
|
4025.0000 -39.82472 -38.47379 1.35092 2.08391 -38.78711 792.34858
|
|
4030.0000 -40.70118 -39.15682 1.54437 2.04462 -39.05697 787.55526
|
|
4035.0000 -41.12747 -39.09373 2.03374 2.04346 -39.06491 824.77979
|
|
4040.0000 -41.12664 -38.76657 2.36007 2.03952 -39.09202 771.17108
|
|
4045.0000 -41.63288 -39.92776 1.70512 1.96138 -39.62867 716.29644
|
|
4050.0000 -40.89814 -39.26818 1.62996 1.96274 -39.61935 738.88709
|
|
4055.0000 -41.36925 -39.64270 1.72655 2.01254 -39.27733 771.14572
|
|
4060.0000 -40.79036 -38.53446 2.25590 2.03265 -39.13917 803.29377
|
|
4065.0000 -40.66941 -38.83501 1.83440 2.11282 -38.58856 891.96091
|
|
4070.0000 -41.43440 -39.98597 1.44843 1.99190 -39.41903 747.47232
|
|
4075.0000 -41.63022 -39.56963 2.06059 1.95472 -39.67444 677.12165
|
|
4080.0000 -41.46757 -40.29365 1.17392 1.87823 -40.19977 598.61822
|
|
4085.0000 -41.60994 -40.41494 1.19501 1.86391 -40.29815 558.06850
|
|
4090.0000 -41.14681 -39.59511 1.55169 1.93306 -39.82317 635.84447
|
|
4095.0000 -41.25825 -39.02932 2.22893 2.01603 -39.25332 753.67034
|
|
4100.0000 -40.64491 -39.20884 1.43607 2.05234 -39.00395 782.40414
|
|
4105.0000 -40.61254 -38.76417 1.84838 2.00071 -39.35859 681.78915
|
|
4110.0000 -41.06312 -38.89382 2.16930 2.09891 -38.68411 809.75610
|
|
4115.0000 -40.94355 -39.53520 1.40835 2.03855 -39.09868 774.66705
|
|
4120.0000 -41.27801 -39.54272 1.73529 1.95645 -39.66256 604.61030
|
|
4125.0000 -40.81476 -38.90961 1.90514 2.00336 -39.34035 730.04012
|
|
4130.0000 -40.67478 -39.43098 1.24381 2.01341 -39.27134 734.47568
|
|
4135.0000 -41.17183 -39.92191 1.24992 1.96596 -39.59724 663.83278
|
|
4140.0000 -40.79754 -38.32299 2.47455 2.05503 -38.98547 797.29457
|
|
4145.0000 -41.51246 -39.48112 2.03134 2.08255 -38.79643 795.30037
|
|
4150.0000 -41.37390 -39.75080 1.62310 1.96093 -39.63175 664.34459
|
|
4155.0000 -41.00563 -39.31092 1.69470 1.94770 -39.72262 640.70379
|
|
4160.0000 -40.98059 -39.42451 1.55608 1.95883 -39.64617 687.33247
|
|
4165.0000 -41.86699 -39.83899 2.02799 1.92869 -39.85318 652.80670
|
|
4170.0000 -41.29287 -39.03660 2.25627 2.05253 -39.00262 841.11297
|
|
4175.0000 -41.23637 -39.39461 1.84177 2.01477 -39.26201 801.74169
|
|
4180.0000 -40.57495 -38.95285 1.62211 2.07312 -38.86124 828.10369
|
|
4185.0000 -40.70139 -38.69941 2.00197 2.13567 -38.43158 887.48688
|
|
4190.0000 -41.41625 -39.45600 1.96025 2.09384 -38.71891 872.74813
|
|
4195.0000 -40.91426 -39.45525 1.45902 1.99812 -39.37633 719.46518
|
|
4200.0000 -41.55025 -40.27903 1.27121 1.95395 -39.67974 650.87471
|
|
4205.0000 -41.44481 -39.86134 1.58347 1.91744 -39.93046 633.11069
|
|
4210.0000 -41.17025 -40.03546 1.13479 1.88110 -40.18009 579.42485
|
|
4215.0000 -40.54839 -39.24710 1.30128 1.96263 -39.62008 693.09394
|
|
4220.0000 -40.81849 -39.06268 1.75581 2.00583 -39.32339 758.35149
|
|
4225.0000 -41.05372 -39.58289 1.47083 2.02920 -39.16291 755.93712
|
|
4230.0000 -41.17124 -39.11558 2.05565 2.03610 -39.11550 762.49406
|
|
4235.0000 -41.02739 -39.09621 1.93119 2.02570 -39.18692 793.62977
|
|
4240.0000 -40.52889 -38.84373 1.68516 2.09455 -38.71405 812.00264
|
|
4245.0000 -40.52719 -38.83716 1.69003 2.06219 -38.93628 794.11990
|
|
4250.0000 -41.07226 -39.13225 1.94001 2.03169 -39.14578 769.16921
|
|
MELTING PROCESS: loop number 18 T-loop= 755.00000000000000
|
|
main_MD> interactions number 18 at Temperature= 755.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.89822 -1.91927 1.70981
|
|
force_rgl> df(natom) -1.84469 -0.41787 -3.57147
|
|
4255.0000 -40.39259 -38.60327 1.78933 2.09534 -38.70858 896.05292
|
|
4260.0000 -41.65681 -39.76210 1.89471 1.99675 -39.38573 716.85026
|
|
4265.0000 -40.97081 -39.21867 1.75214 2.04110 -39.08112 753.40143
|
|
4270.0000 -40.51507 -38.84270 1.67237 2.02873 -39.16613 738.13111
|
|
4275.0000 -41.38714 -39.49043 1.89671 1.97227 -39.55391 723.60321
|
|
4280.0000 -41.00865 -39.58246 1.42619 1.98687 -39.45362 733.27817
|
|
4285.0000 -41.32555 -38.93349 2.39205 2.05772 -38.96697 818.25698
|
|
4290.0000 -41.19092 -39.15854 2.03237 2.07825 -38.82601 837.06568
|
|
4295.0000 -41.18110 -39.52082 1.66028 2.01185 -39.28201 727.14829
|
|
4300.0000 -41.69658 -40.35143 1.34515 1.89443 -40.08851 612.65663
|
|
4305.0000 -41.06508 -38.83739 2.22769 1.96113 -39.63038 699.18735
|
|
4310.0000 -41.19580 -40.11405 1.08175 1.97971 -39.50280 738.43851
|
|
4315.0000 -41.34044 -39.43344 1.90700 1.93202 -39.83032 654.91746
|
|
4320.0000 -41.42829 -39.92854 1.49975 1.96063 -39.63386 690.52616
|
|
4325.0000 -41.47463 -39.75053 1.72410 1.91844 -39.92362 608.32793
|
|
4330.0000 -41.29325 -40.20137 1.09188 1.89048 -40.11567 608.32760
|
|
4335.0000 -40.97927 -39.57490 1.40437 1.94875 -39.71544 723.28366
|
|
4340.0000 -40.99493 -39.22763 1.76730 1.98437 -39.47076 724.82586
|
|
4345.0000 -41.15778 -39.64506 1.51272 1.94811 -39.71985 675.27649
|
|
4350.0000 -41.15472 -39.38568 1.76904 1.97401 -39.54193 726.15313
|
|
4355.0000 -40.77671 -39.49979 1.27692 2.01438 -39.26470 762.57653
|
|
4360.0000 -41.11104 -39.55507 1.55597 1.96601 -39.59687 686.01181
|
|
4365.0000 -40.47701 -38.92305 1.55396 1.97516 -39.53404 708.33581
|
|
4370.0000 -40.77980 -39.26455 1.51525 2.04430 -39.05915 749.89891
|
|
4375.0000 -41.40954 -39.30842 2.10112 2.04282 -39.06936 784.07999
|
|
4380.0000 -40.95405 -39.13275 1.82131 1.97641 -39.52543 703.74191
|
|
4385.0000 -41.44869 -39.07023 2.37846 2.03436 -39.12744 806.56309
|
|
4390.0000 -41.24251 -39.12091 2.12160 2.01575 -39.25524 738.95782
|
|
4395.0000 -40.59998 -39.55359 1.04639 1.97681 -39.52269 697.02342
|
|
4400.0000 -41.60196 -40.10862 1.49335 1.94057 -39.77159 630.90701
|
|
4405.0000 -40.73776 -38.62806 2.10970 1.96971 -39.57144 659.64706
|
|
4410.0000 -40.29858 -38.00220 2.29638 2.21107 -37.91371 961.03998
|
|
4415.0000 -40.70468 -38.47672 2.22796 2.08438 -38.78386 833.96986
|
|
4420.0000 -41.24325 -40.01251 1.23073 1.98647 -39.45634 744.78434
|
|
4425.0000 -41.64347 -39.36860 2.27487 1.93510 -39.80917 667.75954
|
|
4430.0000 -41.17042 -39.17557 1.99485 2.00136 -39.35406 757.88978
|
|
4435.0000 -40.77784 -38.28262 2.49521 2.14201 -38.38810 893.11023
|
|
4440.0000 -40.65523 -38.62841 2.02683 2.14592 -38.36119 915.90754
|
|
4445.0000 -41.24082 -39.22699 2.01383 2.03904 -39.09526 763.70163
|
|
4450.0000 -41.12815 -38.95252 2.17563 2.04813 -39.03288 777.90116
|
|
4455.0000 -41.04578 -38.86385 2.18193 2.02620 -39.18348 782.90253
|
|
4460.0000 -40.51077 -38.65612 1.85466 2.05509 -38.98504 798.21875
|
|
4465.0000 -40.60354 -38.72447 1.87907 2.08959 -38.74810 778.17248
|
|
4470.0000 -41.24010 -39.26391 1.97618 2.07096 -38.87606 791.86369
|
|
4475.0000 -40.61780 -38.87273 1.74508 2.05021 -39.01860 774.72430
|
|
4480.0000 -41.04633 -39.53434 1.51198 2.06302 -38.93060 728.42022
|
|
4485.0000 -41.38189 -39.23811 2.14378 2.00332 -39.34064 755.30604
|
|
4490.0000 -41.03387 -38.98606 2.04781 2.02720 -39.17661 793.08118
|
|
4495.0000 -41.09531 -39.44138 1.65393 2.04868 -39.02908 788.30078
|
|
4500.0000 -41.08372 -39.42509 1.65863 1.97059 -39.56541 748.18477
|
|
MELTING PROCESS: loop number 19 T-loop= 780.00000000000000
|
|
main_MD> interactions number 19 at Temperature= 780.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.98878 1.38804 -2.09173
|
|
force_rgl> df(natom) -1.72931 1.86342 2.31253
|
|
4505.0000 -41.29728 -39.94286 1.35442 1.92958 -39.84706 703.94468
|
|
4510.0000 -41.13571 -39.66176 1.47396 1.91314 -39.96002 649.43013
|
|
4515.0000 -40.85223 -38.78829 2.06394 1.97196 -39.55602 732.69324
|
|
4520.0000 -41.56009 -40.00544 1.55465 2.01164 -39.28350 728.62156
|
|
4525.0000 -41.20205 -40.05799 1.14406 1.86591 -40.28439 586.82643
|
|
4530.0000 -40.96981 -39.16772 1.80209 2.06391 -38.92447 784.27804
|
|
4535.0000 -40.68567 -39.11504 1.57063 1.99641 -39.38811 690.68089
|
|
4540.0000 -41.13513 -39.03680 2.09833 2.03709 -39.10866 785.40475
|
|
4545.0000 -40.66840 -39.15023 1.51817 2.08019 -38.81265 811.15221
|
|
4550.0000 -40.96247 -39.22700 1.73547 2.04534 -39.05201 806.16229
|
|
4555.0000 -40.79372 -38.80830 1.98542 2.06822 -38.89486 824.24153
|
|
4560.0000 -40.84091 -38.89084 1.95007 2.06461 -38.91965 832.13078
|
|
4565.0000 -41.35189 -39.69115 1.66074 2.09952 -38.67987 866.77933
|
|
4570.0000 -40.95050 -39.09667 1.85383 1.94401 -39.74798 637.39234
|
|
4575.0000 -41.29072 -39.63168 1.65904 2.04525 -39.05267 787.48922
|
|
4580.0000 -41.06024 -39.19497 1.86528 1.98063 -39.49650 730.71614
|
|
4585.0000 -41.22281 -39.56667 1.65614 2.00449 -39.33259 740.51575
|
|
4590.0000 -41.31958 -39.58361 1.73597 1.94204 -39.76155 686.41267
|
|
4595.0000 -40.45558 -38.69852 1.75706 2.02390 -39.19930 777.11661
|
|
4600.0000 -41.55999 -40.29225 1.26774 2.01072 -39.28981 707.26627
|
|
4605.0000 -41.33906 -39.75326 1.58579 1.86199 -40.31132 570.79875
|
|
4610.0000 -41.30145 -39.90809 1.39336 1.98123 -39.49233 697.99981
|
|
4615.0000 -41.78894 -40.01112 1.77781 1.88542 -40.15040 605.73621
|
|
4620.0000 -41.04152 -40.02201 1.01951 1.85632 -40.35024 572.19949
|
|
4625.0000 -41.29528 -39.57078 1.72450 1.90986 -39.98254 643.83657
|
|
4630.0000 -40.71665 -39.41753 1.29912 1.97595 -39.52859 697.50046
|
|
4635.0000 -40.94164 -38.85610 2.08554 2.03060 -39.15327 799.39992
|
|
4640.0000 -41.05314 -39.55296 1.50018 2.09399 -38.71785 842.31616
|
|
4645.0000 -40.97045 -39.38092 1.58954 2.02819 -39.16979 756.18150
|
|
4650.0000 -40.63071 -38.97822 1.65248 2.00981 -39.29606 733.04598
|
|
4655.0000 -41.29378 -39.76468 1.52910 2.00346 -39.33966 714.70336
|
|
4660.0000 -41.03252 -39.28748 1.74504 1.95525 -39.67077 656.59253
|
|
4665.0000 -41.20089 -39.49468 1.70621 2.03369 -39.13200 751.82301
|
|
4670.0000 -41.01905 -39.12832 1.89074 2.00401 -39.33592 779.70594
|
|
4675.0000 -39.48880 -38.12659 1.36222 2.10415 -38.64809 860.84830
|
|
4680.0000 -41.40553 -39.30735 2.09818 2.07956 -38.81698 793.33164
|
|
4685.0000 -41.27476 -38.94837 2.32639 2.01938 -39.23032 744.00934
|
|
4690.0000 -41.14623 -39.10661 2.03963 2.06663 -38.90581 842.01166
|
|
4695.0000 -40.76991 -39.42016 1.34975 2.04038 -39.08607 793.69782
|
|
4700.0000 -41.38066 -39.76390 1.61677 1.96496 -39.60409 691.84261
|
|
4705.0000 -40.91582 -39.20162 1.71420 1.92220 -39.89780 610.17656
|
|
4710.0000 -40.89302 -38.77709 2.11594 2.05977 -38.95289 824.98330
|
|
4715.0000 -41.27706 -38.90218 2.37488 2.08255 -38.79644 832.22506
|
|
4720.0000 -39.82395 -37.92886 1.89510 2.15188 -38.32024 914.07728
|
|
4725.0000 -40.21604 -38.37544 1.84060 2.15065 -38.32870 948.42448
|
|
4730.0000 -40.87756 -38.94897 1.92859 2.11667 -38.56209 858.13753
|
|
4735.0000 -40.68080 -38.98165 1.69915 2.05302 -38.99925 782.65269
|
|
4740.0000 -40.76574 -39.26937 1.49637 2.01741 -39.24389 741.81518
|
|
4745.0000 -39.98556 -37.85126 2.13430 2.15836 -38.27574 862.60753
|
|
4750.0000 -40.75945 -39.24005 1.51940 2.04450 -39.05781 763.36026
|
|
MELTING PROCESS: loop number 20 T-loop= 805.00000000000000
|
|
main_MD> interactions number 20 at Temperature= 805.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -4.53603 4.85996 -6.26463
|
|
force_rgl> df(natom) 4.61011 3.95177 0.23372
|
|
4755.0000 -40.81612 -39.13763 1.67849 2.02714 -39.17704 774.88011
|
|
4760.0000 -40.90701 -39.62630 1.28071 1.99812 -39.37636 740.44968
|
|
4765.0000 -41.06405 -40.00967 1.05438 1.95050 -39.70339 662.05812
|
|
4770.0000 -40.82164 -39.18377 1.63787 1.94342 -39.75202 676.92703
|
|
4775.0000 -40.54905 -38.66353 1.88552 2.04641 -39.04466 782.09812
|
|
4780.0000 -40.92763 -38.64596 2.28167 2.08437 -38.78397 797.66695
|
|
4785.0000 -40.18954 -38.11800 2.07155 2.08365 -38.78892 856.91170
|
|
4790.0000 -40.11362 -37.72822 2.38541 2.10093 -38.67022 869.35393
|
|
4795.0000 -40.75892 -38.82581 1.93311 2.13862 -38.41133 874.36181
|
|
4800.0000 -41.46368 -39.23995 2.22373 2.08520 -38.77828 823.41331
|
|
4805.0000 -41.44871 -39.60782 1.84090 2.05009 -39.01941 793.31761
|
|
4810.0000 -40.99169 -39.60617 1.38552 2.00583 -39.32341 736.45371
|
|
4815.0000 -41.72628 -40.11663 1.60965 1.90072 -40.04529 627.54724
|
|
4820.0000 -41.50021 -39.71415 1.78605 1.92506 -39.87815 637.97822
|
|
4825.0000 -41.20258 -39.62277 1.57981 1.97207 -39.55527 699.63982
|
|
4830.0000 -41.52844 -39.34146 2.18698 1.96175 -39.62612 761.20819
|
|
4835.0000 -41.69727 -39.29024 2.40703 2.00485 -39.33014 796.57166
|
|
4840.0000 -41.71070 -40.02187 1.68884 1.93866 -39.78470 660.25311
|
|
4845.0000 -41.46582 -39.17648 2.28935 1.94525 -39.73948 679.63990
|
|
4850.0000 -41.23501 -38.65021 2.58480 2.04390 -39.06191 849.37096
|
|
4855.0000 -40.95934 -39.21936 1.73998 2.13689 -38.42325 934.83112
|
|
4860.0000 -40.30092 -38.97711 1.32381 2.05678 -38.97344 773.76160
|
|
4865.0000 -41.20891 -38.97883 2.23008 2.02318 -39.20425 760.24255
|
|
4870.0000 -40.92744 -38.85560 2.07184 2.06108 -38.94388 782.50065
|
|
4875.0000 -40.59932 -38.47802 2.12130 2.12275 -38.52037 917.79667
|
|
4880.0000 -40.89106 -38.84064 2.05042 2.09094 -38.73886 815.48577
|
|
4885.0000 -40.42141 -38.74216 1.67925 2.05900 -38.95819 737.63116
|
|
4890.0000 -40.76536 -39.21714 1.54822 2.05350 -38.99599 748.05331
|
|
4895.0000 -40.46598 -38.46305 2.00293 2.10320 -38.65464 836.20283
|
|
4900.0000 -40.24378 -38.25368 1.99009 2.10408 -38.64860 853.88975
|
|
4905.0000 -40.53323 -37.98161 2.55162 2.19188 -38.04552 949.29323
|
|
4910.0000 -39.85139 -37.91630 1.93509 2.22518 -37.81680 1021.39469
|
|
4915.0000 -40.04675 -38.01554 2.03121 2.20504 -37.95513 863.58681
|
|
4920.0000 -40.75700 -38.29289 2.46411 2.13718 -38.42125 810.19452
|
|
4925.0000 -40.60715 -38.67163 1.93552 2.23887 -37.72282 952.86809
|
|
4930.0000 -40.54728 -38.78130 1.76598 2.12425 -38.51002 850.08846
|
|
4935.0000 -40.56158 -38.61742 1.94417 2.04246 -39.07182 764.14618
|
|
4940.0000 -40.79296 -38.87934 1.91362 2.14809 -38.34631 919.74556
|
|
4945.0000 -41.78111 -40.08295 1.69815 2.00412 -39.33511 755.20188
|
|
4950.0000 -41.67677 -39.90885 1.76792 1.89657 -40.07379 635.37270
|
|
4955.0000 -41.51225 -39.51980 1.99245 1.89820 -40.06265 604.63444
|
|
4960.0000 -40.92943 -39.48980 1.43963 1.98741 -39.44991 749.89498
|
|
4965.0000 -41.16602 -39.40067 1.76535 2.02913 -39.16336 777.42276
|
|
4970.0000 -40.87847 -38.97161 1.90686 2.00775 -39.31020 734.34949
|
|
4975.0000 -40.00289 -38.07599 1.92690 2.13386 -38.44406 869.16626
|
|
4980.0000 -39.88792 -38.34175 1.54617 2.11394 -38.58088 852.55356
|
|
4985.0000 -41.05526 -38.95219 2.10307 2.13326 -38.44814 906.62120
|
|
4990.0000 -40.59863 -39.21795 1.38068 2.05858 -38.96110 820.98069
|
|
4995.0000 -40.85617 -38.85105 2.00512 2.03374 -39.13169 769.79435
|
|
5000.0000 -40.19570 -38.29318 1.90252 2.10802 -38.62151 831.17328
|
|
MELTING PROCESS: loop number 21 T-loop= 830.00000000000000
|
|
main_MD> interactions number 21 at Temperature= 830.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.80682 7.58224 1.28879
|
|
force_rgl> df(natom) -1.63260 -1.47838 -3.29403
|
|
5005.0000 -40.32791 -38.13768 2.19023 2.21477 -37.88833 968.41226
|
|
5010.0000 -40.20923 -38.13194 2.07728 2.11112 -38.60024 817.66484
|
|
5015.0000 -40.98065 -38.36001 2.62064 2.21179 -37.90877 922.86858
|
|
5020.0000 -40.71811 -39.36790 1.35021 2.11661 -38.56251 900.22932
|
|
5025.0000 -40.41112 -38.85815 1.55297 2.06485 -38.91800 809.21930
|
|
5030.0000 -41.02031 -39.81044 1.20987 1.98725 -39.45097 740.00442
|
|
5035.0000 -40.71032 -38.14394 2.56637 2.05092 -39.01369 800.93459
|
|
5040.0000 -40.63185 -37.80624 2.82561 2.19327 -38.03599 938.59390
|
|
5045.0000 -40.40812 -38.26652 2.14160 2.15126 -38.32451 931.61644
|
|
5050.0000 -40.34684 -38.33201 2.01483 2.16831 -38.20740 907.53786
|
|
5055.0000 -40.10672 -37.90994 2.19678 2.18227 -38.11153 872.40811
|
|
5060.0000 -40.05384 -37.96914 2.08470 2.24316 -37.69330 1031.31613
|
|
5065.0000 -40.58576 -38.49890 2.08687 2.13148 -38.46036 911.57558
|
|
5070.0000 -40.80466 -38.96340 1.84127 2.10781 -38.62294 874.09485
|
|
5075.0000 -40.62634 -38.38773 2.23861 2.04678 -39.04211 807.23452
|
|
5080.0000 -41.66523 -39.41577 2.24946 2.14143 -38.39203 924.12990
|
|
5085.0000 -41.02110 -38.82494 2.19616 2.03085 -39.15153 772.71876
|
|
5090.0000 -40.81283 -39.16315 1.64968 2.09566 -38.70643 829.72008
|
|
5095.0000 -40.94162 -38.84064 2.10098 2.02963 -39.15993 744.81041
|
|
5100.0000 -40.52277 -38.54664 1.97613 2.08171 -38.80222 839.14905
|
|
5105.0000 -40.51818 -37.86531 2.65286 2.19367 -38.03324 964.91550
|
|
5110.0000 -39.92630 -37.29620 2.63010 2.22071 -37.84754 935.77769
|
|
5115.0000 -40.10852 -37.59082 2.51770 2.23806 -37.72835 955.67300
|
|
5120.0000 -40.80119 -38.85842 1.94277 2.12869 -38.47954 796.05503
|
|
5125.0000 -40.74474 -39.21763 1.52711 2.06491 -38.91764 808.12416
|
|
5130.0000 -41.07187 -39.48548 1.58639 1.96985 -39.57051 695.01184
|
|
5135.0000 -39.93661 -37.49250 2.44411 2.08212 -38.79938 774.75262
|
|
5140.0000 -40.07085 -37.84637 2.22448 2.20904 -37.92766 1003.16291
|
|
5145.0000 -39.88763 -37.65407 2.23356 2.23150 -37.77341 951.80709
|
|
5150.0000 -40.52611 -37.96231 2.56380 2.21161 -37.91004 888.99282
|
|
5155.0000 -40.18701 -37.35051 2.83650 2.21867 -37.86152 955.80621
|
|
5160.0000 -40.10188 -38.13737 1.96451 2.22403 -37.82473 965.43624
|
|
5165.0000 -40.41771 -38.48142 1.93629 2.12996 -38.47082 874.38961
|
|
5170.0000 -40.67817 -38.90653 1.77164 2.12138 -38.52978 902.25411
|
|
5175.0000 -41.06716 -38.97442 2.09274 2.03581 -39.11747 787.07213
|
|
5180.0000 -40.92201 -39.16501 1.75699 2.07877 -38.82240 802.06857
|
|
5185.0000 -40.55182 -38.42217 2.12964 2.05499 -38.98572 765.58077
|
|
5190.0000 -40.39324 -38.23430 2.15894 2.14121 -38.39355 840.24386
|
|
5195.0000 -39.99951 -38.59269 1.40682 2.13812 -38.41476 874.82550
|
|
5200.0000 -40.62797 -38.84081 1.78716 2.03611 -39.11539 788.32966
|
|
5205.0000 -40.61346 -38.35961 2.25385 2.12536 -38.50241 910.23588
|
|
5210.0000 -40.30499 -38.45950 1.84549 2.16891 -38.20327 916.48144
|
|
5215.0000 -40.52273 -38.30750 2.21522 2.14915 -38.33905 810.73215
|
|
5220.0000 -40.49979 -38.35494 2.14484 2.09329 -38.72268 853.93519
|
|
5225.0000 -40.76489 -38.64523 2.11966 2.11965 -38.54165 840.33944
|
|
5230.0000 -40.00965 -38.76136 1.24828 2.10059 -38.67257 819.98772
|
|
5235.0000 -41.00712 -39.51024 1.49689 2.02905 -39.16390 742.94780
|
|
5240.0000 -40.97058 -39.48106 1.48953 1.99494 -39.39818 754.25462
|
|
5245.0000 -39.84623 -38.68369 1.16254 2.04916 -39.02581 773.62102
|
|
5250.0000 -40.02176 -38.16067 1.86110 2.11788 -38.55382 856.79219
|
|
MELTING PROCESS: loop number 22 T-loop= 855.00000000000000
|
|
main_MD> interactions number 22 at Temperature= 855.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.72669 0.56056 0.34357
|
|
force_rgl> df(natom) 1.36990 -1.94420 -1.43500
|
|
5255.0000 -41.44102 -39.30367 2.13734 2.08180 -38.80158 779.24533
|
|
5260.0000 -40.42586 -38.85825 1.56761 2.06138 -38.94183 805.99264
|
|
5265.0000 -40.11153 -38.36828 1.74325 2.11339 -38.58461 842.48420
|
|
5270.0000 -40.99578 -38.34397 2.65181 2.14648 -38.35735 837.13971
|
|
5275.0000 -40.32586 -38.44706 1.87880 2.15403 -38.30553 871.90205
|
|
5280.0000 -40.37674 -38.60276 1.77398 2.12945 -38.47433 881.51252
|
|
5285.0000 -39.89987 -37.68779 2.21209 2.17691 -38.14834 911.69382
|
|
5290.0000 -40.27291 -38.53952 1.73339 2.20125 -37.98122 892.00298
|
|
5295.0000 -39.89054 -38.02126 1.86928 2.09059 -38.74122 803.44720
|
|
5300.0000 -39.71770 -37.62712 2.09058 2.26637 -37.53395 961.03368
|
|
5305.0000 -39.79161 -37.66245 2.12916 2.29331 -37.34888 1036.06399
|
|
5310.0000 -40.50787 -38.52525 1.98262 2.11693 -38.56030 893.05883
|
|
5315.0000 -40.83547 -38.33684 2.49863 2.14218 -38.38693 826.24221
|
|
5320.0000 -40.71317 -38.84965 1.86352 2.06934 -38.88721 761.66429
|
|
5325.0000 -40.01597 -37.57819 2.43778 2.17253 -38.17844 965.08091
|
|
5330.0000 -40.17183 -37.89540 2.27643 2.23294 -37.76351 928.36388
|
|
5335.0000 -40.28135 -38.29582 1.98552 2.19548 -38.02081 866.07000
|
|
5340.0000 -40.87031 -39.36034 1.50997 2.08641 -38.76995 838.91073
|
|
5345.0000 -40.39017 -38.93488 1.45530 1.99943 -39.36734 712.88243
|
|
5350.0000 -41.13285 -38.74259 2.39026 2.09812 -38.68951 863.37092
|
|
5355.0000 -41.03800 -39.38076 1.65724 2.02479 -39.19315 767.97232
|
|
5360.0000 -40.86932 -38.98532 1.88400 1.97643 -39.52534 699.34223
|
|
5365.0000 -40.59740 -38.80403 1.79337 2.01040 -39.29202 749.00001
|
|
5370.0000 -41.16661 -39.27904 1.88758 2.04574 -39.04924 787.87185
|
|
5375.0000 -40.72722 -38.90843 1.81879 2.07817 -38.82651 839.76130
|
|
5380.0000 -40.25392 -37.44170 2.81223 2.16005 -38.26415 879.47291
|
|
5385.0000 -40.18489 -38.09219 2.09270 2.25883 -37.58574 1031.52708
|
|
5390.0000 -40.86253 -38.74563 2.11690 2.14761 -38.34959 931.59096
|
|
5395.0000 -40.24521 -38.30328 1.94193 2.05705 -38.97158 823.80707
|
|
5400.0000 -40.43324 -37.91124 2.52200 2.20085 -37.98392 996.67251
|
|
5405.0000 -40.69192 -38.16121 2.53071 2.19968 -37.99199 982.84958
|
|
5410.0000 -39.70216 -37.77988 1.92229 2.26317 -37.55594 1044.31050
|
|
5415.0000 -41.16629 -38.79466 2.37164 2.20122 -37.98143 948.97992
|
|
5420.0000 -40.11144 -38.59644 1.51501 2.03636 -39.11369 778.83162
|
|
5425.0000 -40.77326 -39.07427 1.69899 2.07305 -38.86171 825.52894
|
|
5430.0000 -41.24163 -39.71765 1.52398 2.01257 -39.27711 794.48190
|
|
5435.0000 -40.62520 -39.00595 1.61925 2.03289 -39.13754 769.93914
|
|
5440.0000 -40.66366 -38.73376 1.92991 2.07897 -38.82104 784.78181
|
|
5445.0000 -40.72175 -38.53018 2.19156 2.11354 -38.58361 882.72977
|
|
5450.0000 -40.65166 -38.32977 2.32189 2.15069 -38.32845 899.93244
|
|
5455.0000 -40.33935 -38.88542 1.45393 2.13652 -38.42576 852.96446
|
|
5460.0000 -41.38010 -38.39025 2.98985 2.19092 -38.05212 903.95490
|
|
5465.0000 -41.04898 -38.91774 2.13124 2.04736 -39.03816 778.47491
|
|
5470.0000 -39.86261 -37.38353 2.47908 2.24798 -37.66023 929.05956
|
|
5475.0000 -41.07465 -39.09019 1.98446 2.17615 -38.15359 951.00645
|
|
5480.0000 -40.23319 -37.98566 2.24753 2.13617 -38.42820 904.08065
|
|
5485.0000 -41.48037 -38.92884 2.55153 2.14852 -38.34334 901.26496
|
|
5490.0000 -40.47989 -38.07586 2.40404 2.15978 -38.26602 899.32758
|
|
5495.0000 -40.35075 -38.49202 1.85873 2.14522 -38.36601 953.55612
|
|
5500.0000 -40.60822 -38.28728 2.32094 2.17682 -38.14895 905.98983
|
|
MELTING PROCESS: loop number 23 T-loop= 880.00000000000000
|
|
main_MD> interactions number 23 at Temperature= 880.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 4.12971 -5.56774 0.07418
|
|
force_rgl> df(natom) 1.17358 0.16123 1.42283
|
|
5505.0000 -40.42932 -38.46085 1.96847 2.14089 -38.39578 890.76023
|
|
5510.0000 -41.10870 -38.17122 2.93748 2.10163 -38.66541 839.19414
|
|
5515.0000 -40.51155 -39.36444 1.14712 2.12375 -38.51349 885.50548
|
|
5520.0000 -40.64764 -37.99369 2.65395 2.09420 -38.71641 819.07792
|
|
5525.0000 -40.51073 -37.90790 2.60283 2.18548 -38.08947 996.78221
|
|
5530.0000 -40.79358 -38.34961 2.44397 2.16518 -38.22890 973.42918
|
|
5535.0000 -40.50848 -38.56088 1.94759 2.13174 -38.45860 938.00925
|
|
5540.0000 -40.21200 -37.88619 2.32581 2.12644 -38.49501 840.74150
|
|
5545.0000 -40.56778 -38.51210 2.05568 2.17537 -38.15895 913.65496
|
|
5550.0000 -40.65933 -39.03305 1.62628 2.08080 -38.80845 846.65324
|
|
5555.0000 -40.53358 -38.00513 2.52846 2.12730 -38.48911 847.00093
|
|
5560.0000 -40.45398 -38.82032 1.63366 2.13170 -38.45891 861.59303
|
|
5565.0000 -40.17591 -38.26618 1.90973 2.07114 -38.87479 833.73958
|
|
5570.0000 -40.89196 -39.16379 1.72817 2.06918 -38.88830 882.23443
|
|
5575.0000 -40.19473 -37.86388 2.33085 2.14158 -38.39102 845.36457
|
|
5580.0000 -41.30740 -39.74300 1.56440 2.12653 -38.49440 902.00616
|
|
5585.0000 -41.42188 -39.55754 1.86434 1.94849 -39.71725 677.85298
|
|
5590.0000 -40.76195 -38.70928 2.05267 2.03433 -39.12763 751.63542
|
|
5595.0000 -40.60119 -38.44427 2.15692 2.09267 -38.72693 870.30257
|
|
5600.0000 -41.00682 -39.17628 1.83054 2.09903 -38.68325 897.16643
|
|
5605.0000 -40.40068 -38.32311 2.07757 2.13018 -38.46931 848.86405
|
|
5610.0000 -40.82211 -38.59280 2.22931 2.14438 -38.37179 949.78705
|
|
5615.0000 -40.77613 -38.71959 2.05653 2.03546 -39.11991 747.58999
|
|
5620.0000 -40.88717 -38.99970 1.88748 2.14164 -38.39062 885.66827
|
|
5625.0000 -40.18918 -38.78381 1.40537 2.08928 -38.75022 854.38739
|
|
5630.0000 -41.00613 -38.67052 2.33562 2.05590 -38.97952 840.28909
|
|
5635.0000 -41.02014 -39.55801 1.46213 2.03833 -39.10018 749.43650
|
|
5640.0000 -40.63937 -39.06468 1.57469 1.97292 -39.54939 715.60467
|
|
5645.0000 -41.30667 -39.34008 1.96658 2.08219 -38.79893 892.74857
|
|
5650.0000 -41.14724 -38.91731 2.22993 2.05256 -39.00244 842.65423
|
|
5655.0000 -41.36254 -39.59643 1.76611 2.01927 -39.23105 805.71430
|
|
5660.0000 -41.34873 -39.51905 1.82968 1.97096 -39.56289 698.68910
|
|
5665.0000 -39.82270 -38.44813 1.37457 2.04906 -39.02649 806.52576
|
|
5670.0000 -40.65750 -38.41291 2.24459 2.14025 -38.40012 885.48594
|
|
5675.0000 -41.03251 -39.20395 1.82856 2.11025 -38.60618 833.18102
|
|
5680.0000 -41.09391 -38.93919 2.15472 2.07244 -38.86589 816.93348
|
|
5685.0000 -39.41012 -37.34807 2.06205 2.18010 -38.12646 939.55937
|
|
5690.0000 -39.70822 -37.80235 1.90587 2.25640 -37.60241 1021.97736
|
|
5695.0000 -40.40950 -38.95244 1.45706 2.19374 -38.03278 942.93732
|
|
5700.0000 -40.32960 -38.14056 2.18904 2.08143 -38.80417 827.70124
|
|
5705.0000 -40.85635 -38.90269 1.95366 2.16373 -38.23885 909.09169
|
|
5710.0000 -40.70012 -38.72589 1.97423 2.10760 -38.62443 877.59817
|
|
5715.0000 -40.21322 -38.38408 1.82915 2.07624 -38.83982 811.70037
|
|
5720.0000 -40.10907 -37.47771 2.63136 2.20196 -37.97633 945.98256
|
|
5725.0000 -39.75290 -37.21780 2.53510 2.26071 -37.57283 964.72625
|
|
5730.0000 -39.29246 -37.35642 1.93604 2.34508 -36.99329 1045.19219
|
|
5735.0000 -40.27581 -38.50695 1.76886 2.17204 -38.18181 888.91640
|
|
5740.0000 -40.36337 -38.54656 1.81681 2.18909 -38.06469 929.85266
|
|
5745.0000 -41.43014 -38.87290 2.55724 2.09578 -38.70560 816.89743
|
|
5750.0000 -39.97732 -37.82164 2.15568 2.13219 -38.45548 925.55118
|
|
MELTING PROCESS: loop number 24 T-loop= 905.00000000000000
|
|
main_MD> interactions number 24 at Temperature= 905.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.07357 3.15427 -0.37673
|
|
force_rgl> df(natom) 3.08611 -2.43324 0.21645
|
|
5755.0000 -39.89813 -38.15760 1.74053 2.22443 -37.82197 1024.11596
|
|
5760.0000 -40.49264 -38.58685 1.90579 2.12815 -38.48328 850.47219
|
|
5765.0000 -40.39677 -38.71265 1.68412 2.14756 -38.34991 894.23050
|
|
5770.0000 -40.27846 -38.69849 1.57998 2.10745 -38.62541 756.84949
|
|
5775.0000 -40.19615 -38.52275 1.67341 2.11795 -38.55332 838.07900
|
|
5780.0000 -40.85770 -38.74328 2.11443 2.08232 -38.79801 818.22867
|
|
5785.0000 -40.96384 -38.98398 1.97986 2.11838 -38.55033 899.03809
|
|
5790.0000 -41.03270 -39.39614 1.63656 2.00555 -39.32528 739.49319
|
|
5795.0000 -41.03164 -39.01748 2.01416 2.07709 -38.83394 862.53353
|
|
5800.0000 -40.77736 -38.23214 2.54522 2.10481 -38.64353 848.60453
|
|
5805.0000 -41.11151 -39.52616 1.58535 2.03827 -39.10061 764.09923
|
|
5810.0000 -40.11884 -38.35884 1.76001 2.11185 -38.59524 835.20502
|
|
5815.0000 -39.45613 -37.38470 2.07144 2.23462 -37.75198 966.90510
|
|
5820.0000 -39.05711 -36.14939 2.90772 2.26550 -37.53991 975.03994
|
|
5825.0000 -38.93298 -36.81208 2.12090 2.43709 -36.36138 1142.38367
|
|
5830.0000 -39.70418 -37.64862 2.05556 2.27310 -37.48769 1040.52169
|
|
5835.0000 -40.88912 -39.04029 1.84883 2.14570 -38.36269 944.81418
|
|
5840.0000 -40.12067 -38.45821 1.66246 2.16250 -38.24734 869.70445
|
|
5845.0000 -40.48700 -39.03205 1.45496 2.06851 -38.89291 832.81566
|
|
5850.0000 -41.02262 -39.12688 1.89574 2.05005 -39.01967 749.17680
|
|
5855.0000 -40.90621 -38.95556 1.95065 2.04287 -39.06901 824.73417
|
|
5860.0000 -41.20576 -39.23326 1.97249 2.04110 -39.08117 812.44690
|
|
5865.0000 -40.52176 -38.20535 2.31641 2.04916 -39.02579 770.49637
|
|
5870.0000 -39.69741 -36.91239 2.78503 2.27815 -37.45301 1063.83576
|
|
5875.0000 -40.85865 -38.20393 2.65472 2.33493 -37.06305 1116.89901
|
|
5880.0000 -40.05007 -38.16190 1.88818 2.15988 -38.26531 867.84157
|
|
5885.0000 -39.61396 -37.93388 1.68007 2.25528 -37.61009 966.21141
|
|
5890.0000 -41.13316 -38.75134 2.38182 2.13168 -38.45900 908.32154
|
|
5895.0000 -39.83058 -37.73386 2.09672 2.20847 -37.93160 983.52417
|
|
5900.0000 -41.00841 -38.61363 2.39479 2.18432 -38.09745 899.18500
|
|
5905.0000 -40.34697 -37.43456 2.91241 2.17115 -38.18795 889.18222
|
|
5910.0000 -39.57699 -37.44386 2.13313 2.27981 -37.44163 1063.77696
|
|
5915.0000 -40.48263 -38.53621 1.94643 2.25455 -37.61513 1021.21899
|
|
5920.0000 -40.57420 -39.07505 1.49916 2.09989 -38.67736 840.26851
|
|
5925.0000 -40.52861 -38.16653 2.36207 2.12603 -38.49785 890.40521
|
|
5930.0000 -39.94540 -37.63778 2.30761 2.19592 -38.01778 953.56193
|
|
5935.0000 -40.56997 -38.32663 2.24335 2.15143 -38.32338 882.64540
|
|
5940.0000 -40.47660 -38.25310 2.22350 2.24800 -37.66006 996.60948
|
|
5945.0000 -39.79600 -37.84851 1.94750 2.20560 -37.95132 975.40508
|
|
5950.0000 -39.80822 -37.02678 2.78144 2.25541 -37.60921 990.18847
|
|
5955.0000 -39.83082 -37.25614 2.57468 2.27326 -37.48657 993.98702
|
|
5960.0000 -40.70726 -37.96458 2.74269 2.20692 -37.94222 939.69376
|
|
5965.0000 -41.14665 -38.50757 2.63908 2.22891 -37.79122 1063.24604
|
|
5970.0000 -39.82738 -37.60971 2.21766 2.25758 -37.59428 1061.36340
|
|
5975.0000 -40.12947 -38.59592 1.53356 2.19416 -38.02986 820.43411
|
|
5980.0000 -40.07021 -37.76233 2.30789 2.20037 -37.98720 903.33547
|
|
5985.0000 -39.68125 -38.06349 1.61776 2.22519 -37.81673 986.94757
|
|
5990.0000 -39.88358 -37.95375 1.92983 2.25662 -37.60087 923.98757
|
|
5995.0000 -39.79465 -38.18524 1.60942 2.20612 -37.94775 946.59369
|
|
6000.0000 -40.63370 -38.67682 1.95688 2.11396 -38.58069 860.60712
|
|
MELTING PROCESS: loop number 25 T-loop= 930.00000000000000
|
|
main_MD> interactions number 25 at Temperature= 930.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.03389 0.13398 -1.16808
|
|
force_rgl> df(natom) 1.15503 1.15179 1.79177
|
|
6005.0000 -40.53533 -38.15893 2.37640 2.12764 -38.48677 847.70102
|
|
6010.0000 -40.29699 -37.61883 2.67817 2.16619 -38.22199 926.75844
|
|
6015.0000 -40.03485 -38.08771 1.94714 2.23329 -37.76113 982.71977
|
|
6020.0000 -39.80914 -38.04615 1.76299 2.20364 -37.96475 966.60207
|
|
6025.0000 -40.20447 -37.80140 2.40307 2.25515 -37.61097 1010.00621
|
|
6030.0000 -40.76432 -39.62575 1.13857 2.09709 -38.69660 811.62384
|
|
6035.0000 -40.24498 -38.80609 1.43890 2.03591 -39.11678 713.04877
|
|
6040.0000 -40.26093 -38.36931 1.89162 2.10146 -38.66658 845.53410
|
|
6045.0000 -41.32536 -38.75197 2.57339 2.18758 -38.07507 1017.74511
|
|
6050.0000 -39.56286 -37.98806 1.57480 2.10906 -38.61439 823.01241
|
|
6055.0000 -40.36191 -38.03863 2.32328 2.18278 -38.10805 874.94115
|
|
6060.0000 -40.57328 -37.97004 2.60323 2.22904 -37.79033 951.13219
|
|
6065.0000 -41.17985 -38.76892 2.41093 2.12168 -38.52771 818.14940
|
|
6070.0000 -40.67142 -38.70044 1.97098 2.10929 -38.61276 882.37711
|
|
6075.0000 -40.03890 -38.35020 1.68870 2.13817 -38.41445 840.79211
|
|
6080.0000 -40.53163 -38.16928 2.36235 2.20962 -37.92370 952.45829
|
|
6085.0000 -40.23138 -37.87226 2.35911 2.17130 -38.18687 936.41326
|
|
6090.0000 -40.59952 -38.52489 2.07463 2.24453 -37.68395 1045.38430
|
|
6095.0000 -40.51618 -39.16673 1.34945 2.08041 -38.81116 850.35375
|
|
6100.0000 -39.34062 -37.15965 2.18097 2.15985 -38.26555 909.08270
|
|
6105.0000 -40.23565 -37.32265 2.91300 2.27864 -37.44963 1131.54925
|
|
6110.0000 -40.42667 -38.33336 2.09332 2.15793 -38.27874 945.86553
|
|
6115.0000 -41.12902 -38.79635 2.33267 2.11846 -38.54978 847.04064
|
|
6120.0000 -40.14845 -38.38536 1.76309 2.18694 -38.07947 900.14291
|
|
6125.0000 -40.64171 -38.82088 1.82082 2.09981 -38.67792 832.46161
|
|
6130.0000 -40.59788 -38.91440 1.68348 2.11573 -38.56857 839.83521
|
|
6135.0000 -40.19354 -37.55652 2.63702 2.20427 -37.96042 995.68177
|
|
6140.0000 -40.78174 -38.65958 2.12216 2.13695 -38.42284 888.19495
|
|
6145.0000 -40.69466 -38.45251 2.24215 2.08635 -38.77034 825.10413
|
|
6150.0000 -41.67409 -39.41354 2.26055 2.04380 -39.06259 800.66385
|
|
6155.0000 -40.95374 -38.70574 2.24800 2.01351 -39.27062 744.27928
|
|
6160.0000 -40.50891 -38.13714 2.37177 2.15547 -38.29563 972.93883
|
|
6165.0000 -40.84426 -38.74020 2.10406 2.08152 -38.80352 859.32863
|
|
6170.0000 -41.33148 -39.57452 1.75696 1.98960 -39.43485 728.95939
|
|
6175.0000 -40.73654 -38.98191 1.75462 2.03969 -39.09086 740.93875
|
|
6180.0000 -40.56988 -38.35091 2.21898 2.00596 -39.32250 748.03603
|
|
6185.0000 -40.95687 -38.93026 2.02661 2.13648 -38.42605 959.93216
|
|
6190.0000 -40.61190 -38.45735 2.15456 2.13279 -38.45138 849.64153
|
|
6195.0000 -40.67249 -38.45061 2.22188 2.10016 -38.67549 839.66355
|
|
6200.0000 -40.28447 -37.75308 2.53139 2.15098 -38.32648 930.09427
|
|
6205.0000 -40.45209 -38.24197 2.21012 2.24154 -37.70446 971.53050
|
|
6210.0000 -40.83655 -39.04666 1.78989 2.10450 -38.64570 838.32047
|
|
6215.0000 -40.26094 -38.50589 1.75505 2.09735 -38.69479 872.49658
|
|
6220.0000 -40.19825 -38.38414 1.81411 2.11923 -38.54450 799.04411
|
|
6225.0000 -40.52330 -38.29126 2.23204 2.17318 -38.17398 908.31695
|
|
6230.0000 -39.97498 -37.87411 2.10087 2.19877 -37.99823 1000.26907
|
|
6235.0000 -40.93149 -39.30287 1.62862 2.11554 -38.56990 839.33929
|
|
6240.0000 -40.83680 -39.19633 1.64047 2.00697 -39.31552 695.99831
|
|
6245.0000 -40.51518 -38.56279 1.95239 2.04849 -39.03040 726.59515
|
|
6250.0000 -40.25138 -38.08887 2.16251 2.12965 -38.47295 853.53695
|
|
MELTING PROCESS: loop number 26 T-loop= 955.00000000000000
|
|
main_MD> interactions number 26 at Temperature= 955.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.91901 2.81593 -3.32957
|
|
force_rgl> df(natom) 3.94166 1.26676 -4.31426
|
|
6255.0000 -40.70587 -39.25339 1.45249 2.14531 -38.36541 828.88569
|
|
6260.0000 -40.03741 -37.55392 2.48348 2.17912 -38.13315 837.19878
|
|
6265.0000 -41.22663 -38.84054 2.38609 2.22087 -37.84641 952.12361
|
|
6270.0000 -40.13516 -38.28903 1.84613 2.17458 -38.16437 961.58833
|
|
6275.0000 -40.75446 -39.23270 1.52176 2.09036 -38.74278 847.71154
|
|
6280.0000 -40.85970 -38.95812 1.90158 2.01454 -39.26355 760.14746
|
|
6285.0000 -40.93575 -38.51796 2.41779 2.10945 -38.61173 863.37547
|
|
6290.0000 -39.95952 -38.41212 1.54739 2.03904 -39.09532 791.59992
|
|
6295.0000 -39.88497 -38.36308 1.52189 2.15276 -38.31424 950.76045
|
|
6300.0000 -40.46796 -38.82796 1.64000 2.13746 -38.41930 957.18873
|
|
6305.0000 -40.64713 -38.91885 1.72828 2.10672 -38.63041 870.60381
|
|
6310.0000 -40.29348 -38.51397 1.77951 2.10942 -38.61188 861.16580
|
|
6315.0000 -39.96724 -37.86734 2.09990 2.20755 -37.93791 944.49575
|
|
6320.0000 -39.95735 -38.17795 1.77940 2.25326 -37.62397 1059.16659
|
|
6325.0000 -39.34093 -37.72021 1.62072 2.21652 -37.87627 974.86149
|
|
6330.0000 -39.57172 -37.26275 2.30897 2.30251 -37.28573 1048.95763
|
|
6335.0000 -38.99597 -36.97981 2.01616 2.34922 -36.96487 1100.72134
|
|
6340.0000 -39.70982 -37.10436 2.60546 2.36638 -36.84700 1172.74516
|
|
6345.0000 -39.46134 -37.63706 1.82427 2.21211 -37.90658 937.16317
|
|
6350.0000 -39.62326 -37.70063 1.92263 2.24527 -37.67884 889.35526
|
|
6355.0000 -40.31700 -37.42987 2.88713 2.23255 -37.76619 907.35021
|
|
6360.0000 -40.75029 -38.35340 2.39689 2.21249 -37.90395 1006.44911
|
|
6365.0000 -41.12765 -39.17667 1.95098 2.04251 -39.07146 789.54494
|
|
6370.0000 -41.82410 -40.43649 1.38761 1.99897 -39.37052 735.26621
|
|
6375.0000 -41.45923 -39.42164 2.03759 1.92693 -39.86530 673.77753
|
|
6380.0000 -40.63288 -38.52934 2.10353 2.09301 -38.72461 896.56118
|
|
6385.0000 -39.99279 -37.42961 2.56318 2.12895 -38.47774 922.69384
|
|
6390.0000 -39.58311 -36.52425 3.05886 2.34538 -36.99125 1060.51876
|
|
6395.0000 -39.31484 -37.60794 1.70690 2.35031 -36.95738 1122.16249
|
|
6400.0000 -40.86387 -38.60650 2.25736 2.09430 -38.71573 839.81207
|
|
6405.0000 -39.42682 -37.61771 1.80912 2.14133 -38.39273 841.50980
|
|
6410.0000 -40.41119 -38.39009 2.02110 2.15383 -38.30687 875.71396
|
|
6415.0000 -40.47220 -38.55530 1.91690 2.13910 -38.40803 888.08470
|
|
6420.0000 -40.56843 -37.63102 2.93740 2.23576 -37.74418 1002.26983
|
|
6425.0000 -40.13958 -37.82689 2.31268 2.25315 -37.62472 1104.02322
|
|
6430.0000 -39.44246 -36.93747 2.50499 2.24237 -37.69878 973.16686
|
|
6435.0000 -39.64032 -37.28793 2.35238 2.26600 -37.53647 1019.62821
|
|
6440.0000 -40.04019 -37.45521 2.58497 2.20434 -37.95995 981.92039
|
|
6445.0000 -39.93130 -37.89993 2.03136 2.27564 -37.47027 985.43410
|
|
6450.0000 -40.90348 -38.03857 2.86492 2.22662 -37.80697 1000.40113
|
|
6455.0000 -40.54295 -38.50211 2.04084 2.17393 -38.16883 991.17526
|
|
6460.0000 -40.80920 -39.08771 1.72149 2.08319 -38.79208 814.07880
|
|
6465.0000 -40.00841 -38.36932 1.63910 2.11118 -38.59982 882.12188
|
|
6470.0000 -40.61143 -38.44369 2.16773 2.12776 -38.48595 872.06399
|
|
6475.0000 -38.90308 -36.89912 2.00396 2.23285 -37.76415 973.17330
|
|
6480.0000 -40.27888 -37.96466 2.31421 2.29871 -37.31181 1041.37739
|
|
6485.0000 -39.94654 -36.83208 3.11446 2.30385 -37.27653 1120.94363
|
|
6490.0000 -40.34214 -38.18046 2.16168 2.28910 -37.37782 1008.45240
|
|
6495.0000 -40.94882 -38.36860 2.58022 2.13772 -38.41754 892.11541
|
|
6500.0000 -40.50133 -38.72308 1.77825 2.10319 -38.65469 809.61632
|
|
MELTING PROCESS: loop number 27 T-loop= 980.00000000000000
|
|
main_MD> interactions number 27 at Temperature= 980.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.07770 -1.68453 1.17998
|
|
force_rgl> df(natom) 1.97204 -0.28853 -1.14774
|
|
6505.0000 -40.61723 -38.24728 2.36995 2.16160 -38.25349 895.68708
|
|
6510.0000 -39.87717 -37.96894 1.90824 2.13037 -38.46798 843.37455
|
|
6515.0000 -40.26294 -37.76183 2.50111 2.14062 -38.39761 854.24201
|
|
6520.0000 -40.23025 -37.75955 2.47070 2.18115 -38.11921 936.75833
|
|
6525.0000 -39.30387 -37.49754 1.80633 2.29289 -37.35178 1043.09284
|
|
6530.0000 -39.59176 -37.11950 2.47226 2.25645 -37.60209 1047.82191
|
|
6535.0000 -39.52515 -36.93032 2.59482 2.34459 -36.99666 1223.55979
|
|
6540.0000 -39.27092 -36.65912 2.61180 2.37217 -36.80723 1106.21438
|
|
6545.0000 -40.40746 -38.84375 1.56371 2.20806 -37.93442 949.67217
|
|
6550.0000 -40.38299 -37.86952 2.51347 2.13461 -38.43889 992.24951
|
|
6555.0000 -41.09846 -38.66606 2.43240 2.11602 -38.56660 897.70006
|
|
6560.0000 -40.09146 -38.19741 1.89405 2.07764 -38.83019 817.23358
|
|
6565.0000 -40.49948 -38.25565 2.24382 2.13621 -38.42787 906.79669
|
|
6570.0000 -40.01907 -38.20035 1.81872 2.15824 -38.27657 873.51633
|
|
6575.0000 -39.75208 -37.23070 2.52138 2.24726 -37.66516 984.99350
|
|
6580.0000 -38.07338 -35.62568 2.44770 2.41282 -36.52804 1121.45153
|
|
6585.0000 -40.50123 -37.50573 2.99550 2.38806 -36.69813 1170.22407
|
|
6590.0000 -40.38368 -38.70328 1.68041 2.19632 -38.01502 952.07449
|
|
6595.0000 -40.20554 -38.10691 2.09863 2.12027 -38.53736 885.91371
|
|
6600.0000 -39.48419 -37.15218 2.33201 2.23877 -37.72348 1024.70170
|
|
6605.0000 -39.94553 -37.76754 2.17799 2.29878 -37.31135 1072.82297
|
|
6610.0000 -41.41346 -39.19145 2.22201 2.12026 -38.53742 905.71851
|
|
6615.0000 -39.84115 -38.51275 1.32841 2.09813 -38.68941 826.87920
|
|
6620.0000 -40.27942 -38.45376 1.82566 2.08467 -38.78190 801.94349
|
|
6625.0000 -40.01038 -37.71507 2.29531 2.20431 -37.96016 918.00521
|
|
6630.0000 -39.98726 -38.06974 1.91752 2.19511 -38.02333 974.82887
|
|
6635.0000 -40.90550 -38.01043 2.89507 2.24081 -37.70951 1000.03929
|
|
6640.0000 -39.62494 -37.44225 2.18269 2.25528 -37.61010 966.29369
|
|
6645.0000 -39.83717 -36.54956 3.28761 2.30809 -37.24739 1098.90616
|
|
6650.0000 -38.79378 -36.53412 2.25966 2.45873 -36.21275 1181.30476
|
|
6655.0000 -39.73367 -37.69915 2.03452 2.26820 -37.52138 996.90631
|
|
6660.0000 -40.67760 -37.51037 3.16723 2.23119 -37.77554 994.22890
|
|
6665.0000 -40.71934 -38.10862 2.61071 2.22642 -37.80832 1055.46395
|
|
6670.0000 -40.34634 -37.53819 2.80816 2.23783 -37.72994 1054.20396
|
|
6675.0000 -39.87685 -37.79117 2.08568 2.26686 -37.53053 982.43642
|
|
6680.0000 -39.55476 -37.03800 2.51676 2.30041 -37.30014 1158.47533
|
|
6685.0000 -39.96458 -37.49628 2.46830 2.24398 -37.68770 1062.48088
|
|
6690.0000 -40.71906 -37.66468 3.05437 2.21515 -37.88575 998.94486
|
|
6695.0000 -40.55114 -39.17655 1.37458 2.17122 -38.18742 944.79985
|
|
6700.0000 -40.41247 -37.98268 2.42979 2.11669 -38.56196 867.96137
|
|
6705.0000 -40.16935 -37.23768 2.93167 2.24122 -37.70663 982.24918
|
|
6710.0000 -39.70963 -37.30027 2.40936 2.37017 -36.82099 1122.31110
|
|
6715.0000 -39.83247 -37.53526 2.29721 2.27459 -37.47749 1051.50018
|
|
6720.0000 -40.55803 -37.63290 2.92514 2.23384 -37.75732 1025.55037
|
|
6725.0000 -40.47040 -38.21276 2.25763 2.22701 -37.80429 1031.85954
|
|
6730.0000 -40.25188 -38.40355 1.84833 2.19730 -38.00832 948.93517
|
|
6735.0000 -40.12696 -38.70093 1.42604 2.10664 -38.63100 841.45318
|
|
6740.0000 -40.25538 -38.15180 2.10359 2.16485 -38.23117 817.35869
|
|
6745.0000 -39.80588 -37.57580 2.23008 2.21400 -37.89365 931.97286
|
|
6750.0000 -41.15556 -38.61634 2.53922 2.16466 -38.23250 925.74774
|
|
MELTING PROCESS: loop number 28 T-loop= 1005.0000000000000
|
|
main_MD> interactions number 28 at Temperature= 1005.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.56842 -0.39349 0.82501
|
|
force_rgl> df(natom) -1.24574 5.55188 -0.62687
|
|
6755.0000 -41.26286 -39.58614 1.67672 2.03028 -39.15546 763.26250
|
|
6760.0000 -39.53842 -37.34982 2.18859 2.12411 -38.51100 882.22636
|
|
6765.0000 -40.02011 -36.47753 3.54258 2.29737 -37.32100 1058.25809
|
|
6770.0000 -39.90084 -37.50464 2.39621 2.33142 -37.08714 1108.69128
|
|
6775.0000 -39.94578 -37.76262 2.18315 2.25086 -37.64047 975.71820
|
|
6780.0000 -39.45007 -37.29388 2.15619 2.22827 -37.79561 958.75081
|
|
6785.0000 -40.25155 -37.50031 2.75124 2.31119 -37.22609 1148.74292
|
|
6790.0000 -39.88718 -37.67956 2.20762 2.27511 -37.47391 1004.95358
|
|
6795.0000 -40.39252 -37.51363 2.87889 2.30129 -37.29407 1098.16999
|
|
6800.0000 -40.87692 -38.55697 2.31995 2.15771 -38.28020 864.64555
|
|
6805.0000 -39.55489 -37.10927 2.44563 2.19616 -38.01612 983.50777
|
|
6810.0000 -39.63554 -37.58493 2.05061 2.28138 -37.43083 1072.61128
|
|
6815.0000 -40.53931 -37.67635 2.86296 2.19522 -38.02258 928.67208
|
|
6820.0000 -39.18631 -37.03386 2.15245 2.30852 -37.24446 1048.59503
|
|
6825.0000 -39.97554 -36.87957 3.09597 2.36260 -36.87298 1103.20994
|
|
6830.0000 -39.57882 -36.97808 2.60074 2.29072 -37.36669 996.30061
|
|
6835.0000 -40.62618 -38.08512 2.54106 2.23505 -37.74906 1008.26044
|
|
6840.0000 -39.46425 -37.48072 1.98353 2.26597 -37.53669 990.40196
|
|
6845.0000 -40.02708 -37.72668 2.30040 2.24692 -37.66751 939.55464
|
|
6850.0000 -40.18881 -37.75363 2.43519 2.21701 -37.87296 985.94173
|
|
6855.0000 -40.42763 -37.79942 2.62822 2.25313 -37.62483 991.70559
|
|
6860.0000 -40.08001 -37.85973 2.22028 2.25577 -37.60675 986.98418
|
|
6865.0000 -40.34113 -38.17955 2.16158 2.23969 -37.71717 980.29936
|
|
6870.0000 -39.74873 -37.83085 1.91788 2.20778 -37.93632 970.84102
|
|
6875.0000 -39.43044 -37.01807 2.41237 2.28717 -37.39109 1090.86691
|
|
6880.0000 -39.67602 -36.90483 2.77119 2.36926 -36.82726 1198.40326
|
|
6885.0000 -40.02729 -37.40615 2.62115 2.27366 -37.48384 1073.19647
|
|
6890.0000 -40.22567 -37.67106 2.55461 2.25498 -37.61217 1046.06905
|
|
6895.0000 -40.75596 -38.13503 2.62093 2.25645 -37.60206 963.32526
|
|
6900.0000 -39.61522 -37.60751 2.00771 2.22826 -37.79566 992.66316
|
|
6905.0000 -39.81498 -37.56983 2.24515 2.23019 -37.78241 989.57282
|
|
6910.0000 -40.66765 -37.64222 3.02542 2.28420 -37.41143 1197.59276
|
|
6915.0000 -40.68839 -38.17101 2.51738 2.21850 -37.86271 1100.15746
|
|
6920.0000 -40.21024 -38.48515 1.72509 2.03411 -39.12913 813.00226
|
|
6925.0000 -40.63735 -38.62028 2.01707 2.13342 -38.44703 898.28701
|
|
6930.0000 -40.63435 -39.14631 1.48804 2.06937 -38.88700 813.82310
|
|
6935.0000 -40.22572 -38.35887 1.86686 2.14399 -38.37449 880.37485
|
|
6940.0000 -39.94026 -37.84709 2.09317 2.19558 -38.02010 950.36879
|
|
6945.0000 -40.33298 -37.30605 3.02693 2.34600 -36.98703 1135.16437
|
|
6950.0000 -39.59522 -37.07963 2.51558 2.27489 -37.47542 1063.07970
|
|
6955.0000 -39.61989 -37.00903 2.61086 2.43706 -36.36158 1191.88840
|
|
6960.0000 -40.30623 -38.23582 2.07041 2.19482 -38.02533 972.98054
|
|
6965.0000 -39.59851 -37.88080 1.71771 2.14174 -38.38992 845.34093
|
|
6970.0000 -39.11374 -36.85057 2.26317 2.30500 -37.26859 1025.09134
|
|
6975.0000 -39.08822 -36.32965 2.75857 2.43169 -36.39846 1174.17923
|
|
6980.0000 -39.86587 -37.56259 2.30328 2.27245 -37.49220 979.47394
|
|
6985.0000 -39.74114 -36.87454 2.86660 2.36657 -36.84571 1000.00124
|
|
6990.0000 -39.83625 -37.13155 2.70470 2.36687 -36.84368 1111.06663
|
|
6995.0000 -40.34995 -37.61983 2.73012 2.29841 -37.31387 1019.45740
|
|
7000.0000 -40.00971 -38.05534 1.95437 2.23776 -37.73043 1037.48456
|
|
MELTING PROCESS: loop number 29 T-loop= 1030.0000000000000
|
|
main_MD> interactions number 29 at Temperature= 1030.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.93033 6.47841 -5.03510
|
|
force_rgl> df(natom) 0.52847 -4.03874 0.78468
|
|
7005.0000 -40.40095 -38.54724 1.85371 2.16855 -38.20579 915.90887
|
|
7010.0000 -40.97233 -38.33568 2.63665 2.16823 -38.20801 880.56470
|
|
7015.0000 -39.79363 -37.43940 2.35423 2.10946 -38.61165 895.12042
|
|
7020.0000 -39.58150 -37.24641 2.33509 2.31548 -37.19660 1123.05494
|
|
7025.0000 -41.00726 -38.84153 2.16573 2.24321 -37.69300 1005.67863
|
|
7030.0000 -40.81002 -39.02381 1.78621 2.07706 -38.83413 791.53014
|
|
7035.0000 -40.09652 -37.70858 2.38794 2.15101 -38.32628 926.42661
|
|
7040.0000 -39.94367 -37.59516 2.34851 2.15323 -38.31099 893.37061
|
|
7045.0000 -39.27102 -36.76656 2.50446 2.27959 -37.44310 990.07964
|
|
7050.0000 -39.69278 -36.81560 2.87718 2.35814 -36.90359 1111.40839
|
|
7055.0000 -40.80308 -38.47129 2.33178 2.27768 -37.45625 1127.41179
|
|
7060.0000 -40.49903 -37.56624 2.93279 2.23274 -37.76488 1011.73382
|
|
7065.0000 -40.77844 -38.97350 1.80494 2.13214 -38.45582 944.40784
|
|
7070.0000 -40.91875 -38.61010 2.30865 2.09521 -38.70953 793.91960
|
|
7075.0000 -40.78198 -38.10626 2.67573 2.19625 -38.01553 967.87663
|
|
7080.0000 -40.06084 -37.50823 2.55261 2.14835 -38.34452 930.87285
|
|
7085.0000 -39.78169 -37.43920 2.34249 2.28866 -37.38084 1014.63311
|
|
7090.0000 -40.89937 -38.46140 2.43797 2.23883 -37.72306 1004.86426
|
|
7095.0000 -40.40107 -37.96018 2.44089 2.15647 -38.28875 982.93113
|
|
7100.0000 -40.78232 -39.00598 1.77634 2.19018 -38.05720 978.69138
|
|
7105.0000 -39.82017 -37.95114 1.86903 2.13453 -38.43945 850.26792
|
|
7110.0000 -40.57597 -38.28393 2.29204 2.21319 -37.89918 995.31413
|
|
7115.0000 -41.39579 -39.24100 2.15479 2.09743 -38.69423 869.61230
|
|
7120.0000 -40.55559 -37.47922 3.07637 2.15028 -38.33126 907.81749
|
|
7125.0000 -40.02339 -38.17141 1.85199 2.24451 -37.68410 1010.17058
|
|
7130.0000 -40.42652 -38.05766 2.36885 2.26041 -37.57488 1040.72616
|
|
7135.0000 -40.15363 -38.31898 1.83464 2.11337 -38.58478 882.16428
|
|
7140.0000 -40.57347 -37.59301 2.98046 2.23455 -37.75248 980.13558
|
|
7145.0000 -39.85036 -37.73908 2.11128 2.24386 -37.68855 1029.15882
|
|
7150.0000 -38.85218 -35.81607 3.03612 2.36147 -36.88077 1035.21986
|
|
7155.0000 -37.72025 -35.36955 2.35070 2.60290 -35.22254 1304.40476
|
|
7160.0000 -39.20444 -35.88734 3.31711 2.61306 -35.15275 1367.23593
|
|
7165.0000 -40.11434 -37.56738 2.54696 2.33752 -37.04523 1097.01357
|
|
7170.0000 -39.85183 -37.71631 2.13552 2.22758 -37.80037 928.36916
|
|
7175.0000 -40.42683 -38.43146 1.99537 2.18873 -38.06720 908.89117
|
|
7180.0000 -39.85155 -37.46579 2.38576 2.25605 -37.60481 975.25309
|
|
7185.0000 -38.98759 -36.57810 2.40950 2.33631 -37.05356 1135.60296
|
|
7190.0000 -39.93982 -38.04594 1.89389 2.37966 -36.75581 1124.48556
|
|
7195.0000 -40.04284 -37.90890 2.13393 2.21782 -37.86740 965.91697
|
|
7200.0000 -40.29077 -38.33633 1.95444 2.14849 -38.34359 900.24583
|
|
7205.0000 -40.70952 -38.06933 2.64018 2.13097 -38.46388 919.62847
|
|
7210.0000 -40.53928 -38.37420 2.16507 2.17488 -38.16228 977.29208
|
|
7215.0000 -39.58673 -36.57017 3.01655 2.24031 -37.71288 1044.47519
|
|
7220.0000 -38.99071 -37.18409 1.80662 2.35494 -36.92557 1136.93315
|
|
7225.0000 -39.68782 -37.07750 2.61032 2.30947 -37.23793 1089.56055
|
|
7230.0000 -40.53994 -37.87589 2.66405 2.35213 -36.94490 1164.59189
|
|
7235.0000 -39.72316 -37.83713 1.88603 2.22911 -37.78984 959.36399
|
|
7240.0000 -40.26632 -37.99615 2.27017 2.28032 -37.43808 1037.37709
|
|
7245.0000 -39.63736 -37.18262 2.45474 2.23311 -37.76236 1046.67053
|
|
7250.0000 -39.98172 -38.00683 1.97489 2.28089 -37.43421 970.44121
|
|
MELTING PROCESS: loop number 30 T-loop= 1055.0000000000000
|
|
main_MD> interactions number 30 at Temperature= 1055.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.04671 -3.57800 1.02818
|
|
force_rgl> df(natom) 0.64660 1.03816 1.17358
|
|
7255.0000 -39.87949 -37.34677 2.53272 2.30336 -37.27989 1085.44657
|
|
7260.0000 -39.76062 -37.05035 2.71027 2.35837 -36.90207 1127.18975
|
|
7265.0000 -40.72329 -38.00509 2.71821 2.28862 -37.38112 1071.55709
|
|
7270.0000 -40.65281 -38.26755 2.38526 2.18730 -38.07699 909.06279
|
|
7275.0000 -39.86450 -37.35001 2.51449 2.25355 -37.62198 995.63962
|
|
7280.0000 -39.90148 -37.97513 1.92635 2.28040 -37.43754 1017.23195
|
|
7285.0000 -40.27729 -36.89524 3.38205 2.24991 -37.64695 1004.79596
|
|
7290.0000 -39.89360 -37.97845 1.91515 2.25594 -37.60554 1047.04074
|
|
7295.0000 -39.07598 -37.29556 1.78042 2.32348 -37.14167 1126.56494
|
|
7300.0000 -38.59561 -36.00229 2.59332 2.41155 -36.53679 1098.98751
|
|
7305.0000 -40.00056 -38.08200 1.91856 2.30031 -37.30078 1015.02529
|
|
7310.0000 -39.66730 -37.76435 1.90296 2.22801 -37.79740 1022.92231
|
|
7315.0000 -40.57909 -38.20838 2.37071 2.25679 -37.59971 986.88359
|
|
7320.0000 -39.21618 -37.46737 1.74881 2.23529 -37.74741 997.00150
|
|
7325.0000 -39.64451 -35.68980 3.95471 2.38899 -36.69172 1167.03392
|
|
7330.0000 -39.44257 -37.26079 2.18178 2.45258 -36.25497 1274.47233
|
|
7335.0000 -38.73210 -36.52737 2.20473 2.29143 -37.36178 964.17270
|
|
7340.0000 -39.26362 -37.11592 2.14771 2.40419 -36.58734 1168.67601
|
|
7345.0000 -40.17312 -37.93802 2.23510 2.23691 -37.73625 974.14973
|
|
7350.0000 -40.17972 -37.86835 2.31137 2.24964 -37.64883 1017.91086
|
|
7355.0000 -39.47914 -37.31064 2.16851 2.16847 -38.20632 984.99081
|
|
7360.0000 -40.02656 -37.19129 2.83527 2.26310 -37.55637 1068.96041
|
|
7365.0000 -39.79616 -36.79743 2.99873 2.36187 -36.87798 1193.43584
|
|
7370.0000 -39.56708 -37.41647 2.15061 2.31472 -37.20185 1059.90127
|
|
7375.0000 -39.62586 -37.65924 1.96662 2.25103 -37.63931 933.97921
|
|
7380.0000 -39.37847 -37.75575 1.62272 2.22821 -37.79600 970.72303
|
|
7385.0000 -40.65658 -38.70411 1.95248 2.18004 -38.12689 919.91341
|
|
7390.0000 -40.63713 -38.78101 1.85613 2.01721 -39.24520 767.37654
|
|
7395.0000 -40.36107 -37.46541 2.89566 2.28799 -37.38541 1101.04272
|
|
7400.0000 -40.52824 -37.72817 2.80007 2.24840 -37.65733 1067.01122
|
|
7405.0000 -40.09027 -38.17358 1.91669 2.18253 -38.10978 969.78108
|
|
7410.0000 -39.81319 -37.78468 2.02851 2.22213 -37.83775 949.36960
|
|
7415.0000 -40.32268 -37.69112 2.63156 2.23877 -37.72348 936.20235
|
|
7420.0000 -39.59251 -37.16083 2.43168 2.29507 -37.33681 1023.81322
|
|
7425.0000 -40.75262 -38.34653 2.40609 2.22308 -37.83128 1006.96146
|
|
7430.0000 -40.86990 -39.45404 1.41585 2.03190 -39.14435 739.20476
|
|
7435.0000 -39.52390 -37.45956 2.06435 2.07931 -38.81869 794.84729
|
|
7440.0000 -40.72765 -38.06266 2.66499 2.29932 -37.30765 1041.87809
|
|
7445.0000 -39.77732 -36.43752 3.33980 2.30107 -37.29561 1066.87160
|
|
7450.0000 -39.19253 -36.51970 2.67283 2.41118 -36.53933 1257.20195
|
|
7455.0000 -38.91229 -36.52394 2.38834 2.41201 -36.53365 1172.00319
|
|
7460.0000 -39.88319 -37.31403 2.56916 2.38225 -36.73803 1168.29325
|
|
7465.0000 -39.49374 -37.21039 2.28335 2.31749 -37.18281 1090.66140
|
|
7470.0000 -39.84315 -37.73455 2.10860 2.32221 -37.15038 1166.21358
|
|
7475.0000 -40.25211 -38.06217 2.18994 2.20754 -37.93796 984.19022
|
|
7480.0000 -39.89094 -37.84398 2.04696 2.24199 -37.70141 1058.20974
|
|
7485.0000 -41.04553 -38.61671 2.42882 2.10273 -38.65784 858.92376
|
|
7490.0000 -39.58833 -37.11048 2.47785 2.23964 -37.71750 965.34836
|
|
7495.0000 -39.42908 -36.72302 2.70606 2.35846 -36.90140 1096.93390
|
|
7500.0000 -39.64556 -37.28697 2.35858 2.39886 -36.62393 1046.02677
|
|
MELTING PROCESS: loop number 31 T-loop= 1080.0000000000000
|
|
main_MD> interactions number 31 at Temperature= 1080.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.79275 1.18021 -3.18079
|
|
force_rgl> df(natom) -0.61507 3.54147 1.74337
|
|
7505.0000 -39.22393 -36.67929 2.54464 2.39754 -36.63301 1092.70719
|
|
7510.0000 -40.37662 -37.73212 2.64450 2.31265 -37.21608 1135.84505
|
|
7515.0000 -40.06665 -37.07088 2.99577 2.31244 -37.21752 1084.60967
|
|
7520.0000 -39.09004 -36.41332 2.67672 2.41537 -36.51058 1194.92160
|
|
7525.0000 -39.91429 -38.05458 1.85971 2.30582 -37.26294 1031.88451
|
|
7530.0000 -38.97553 -35.02310 3.95243 2.34944 -36.96335 1055.88857
|
|
7535.0000 -39.27660 -36.12093 3.15567 2.53334 -35.70032 1373.96648
|
|
7540.0000 -39.11495 -36.53976 2.57519 2.39416 -36.65621 1144.64488
|
|
7545.0000 -39.91856 -37.77859 2.13997 2.34275 -37.00930 1116.45790
|
|
7550.0000 -39.58174 -37.60502 1.97672 2.24156 -37.70431 1036.15108
|
|
7555.0000 -38.76827 -35.93582 2.83245 2.34373 -37.00259 1061.21943
|
|
7560.0000 -39.05319 -35.88951 3.16369 2.51887 -35.79971 1288.91051
|
|
7565.0000 -39.62311 -37.27644 2.34667 2.30998 -37.23441 1108.56086
|
|
7570.0000 -40.80917 -38.39346 2.41571 2.23526 -37.74763 1027.93314
|
|
7575.0000 -41.02135 -38.02882 2.99254 2.21240 -37.90463 959.12588
|
|
7580.0000 -40.30416 -37.79472 2.50943 2.21182 -37.90860 1017.17384
|
|
7585.0000 -39.61229 -37.08905 2.52324 2.25101 -37.63943 1019.39043
|
|
7590.0000 -40.12128 -37.74447 2.37681 2.35595 -36.91863 1084.22373
|
|
7595.0000 -39.03267 -36.42230 2.61037 2.34416 -36.99967 1119.69205
|
|
7600.0000 -39.98732 -36.80234 3.18498 2.35831 -36.90243 1155.52920
|
|
7605.0000 -39.99512 -37.55797 2.43714 2.25000 -37.64638 1035.63705
|
|
7610.0000 -38.92173 -36.50522 2.41652 2.32636 -37.12193 1116.80656
|
|
7615.0000 -38.90689 -35.98892 2.91797 2.53351 -35.69914 1337.94715
|
|
7620.0000 -38.67054 -35.69159 2.97895 2.56472 -35.48477 1318.54745
|
|
7625.0000 -39.56242 -37.56927 1.99315 2.34979 -36.96097 1135.39542
|
|
7630.0000 -38.37696 -35.21773 3.15922 2.45111 -36.26510 1218.14086
|
|
7635.0000 -39.21922 -36.00538 3.21384 2.45357 -36.24816 1120.69133
|
|
7640.0000 -38.21964 -35.53875 2.68089 2.44856 -36.28262 1300.03174
|
|
7645.0000 -39.99485 -36.60201 3.39284 2.46866 -36.14453 1284.71086
|
|
7650.0000 -40.22943 -37.30730 2.92213 2.38531 -36.71703 1169.51407
|
|
7655.0000 -40.56884 -37.86372 2.70512 2.30073 -37.29796 1060.66776
|
|
7660.0000 -40.32664 -37.81900 2.50765 2.32113 -37.15779 1080.02889
|
|
7665.0000 -39.92336 -36.77902 3.14433 2.26393 -37.55071 998.10101
|
|
7670.0000 -40.42699 -36.16843 4.25856 2.43717 -36.36080 1261.35862
|
|
7675.0000 -39.73427 -36.61697 3.11730 2.44302 -36.32066 1242.18749
|
|
7680.0000 -39.45776 -37.03176 2.42600 2.38720 -36.70404 1152.09552
|
|
7685.0000 -40.24845 -36.72135 3.52709 2.39485 -36.65146 1208.16900
|
|
7690.0000 -39.48418 -36.41697 3.06721 2.35663 -36.91402 1196.40072
|
|
7695.0000 -40.15534 -37.76418 2.39116 2.31394 -37.20718 1138.38814
|
|
7700.0000 -40.75760 -38.60832 2.14929 2.17243 -38.17915 966.51789
|
|
7705.0000 -41.10182 -39.29246 1.80935 2.07242 -38.86600 841.26857
|
|
7710.0000 -41.88158 -40.12937 1.75221 2.00027 -39.36159 730.00714
|
|
7715.0000 -39.21523 -36.99223 2.22300 2.06777 -38.89794 827.64600
|
|
7720.0000 -39.31459 -35.61700 3.69759 2.40472 -36.58367 1145.53801
|
|
7725.0000 -40.23273 -38.02066 2.21206 2.33237 -37.08061 1075.32051
|
|
7730.0000 -40.62045 -38.63076 1.98968 2.20246 -37.97288 924.51606
|
|
7735.0000 -39.58150 -36.94162 2.63988 2.15827 -38.27637 907.59237
|
|
7740.0000 -38.91776 -35.57403 3.34373 2.48141 -36.05699 1369.21984
|
|
7745.0000 -39.35372 -36.68798 2.66574 2.51542 -35.82341 1262.04744
|
|
7750.0000 -40.75067 -38.62141 2.12926 2.31296 -37.21392 1016.12192
|
|
MELTING PROCESS: loop number 32 T-loop= 1105.0000000000000
|
|
main_MD> interactions number 32 at Temperature= 1105.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.33239 0.27017 -0.61304
|
|
force_rgl> df(natom) 0.24249 0.58607 -4.48525
|
|
7755.0000 -40.69211 -38.68826 2.00385 2.15908 -38.27079 947.67684
|
|
7760.0000 -40.55762 -38.69635 1.86127 2.16854 -38.20584 903.69058
|
|
7765.0000 -40.25038 -37.16056 3.08982 2.22742 -37.80147 1050.15456
|
|
7770.0000 -39.84127 -38.15190 1.68937 2.24202 -37.70120 1069.99053
|
|
7775.0000 -39.62653 -37.02762 2.59891 2.32513 -37.13034 1090.75351
|
|
7780.0000 -38.85372 -36.36407 2.48965 2.39992 -36.61664 1124.19172
|
|
7785.0000 -39.27720 -36.58752 2.68968 2.44275 -36.32252 1205.66214
|
|
7790.0000 -39.02275 -36.07056 2.95219 2.37901 -36.76030 1191.19334
|
|
7795.0000 -39.77790 -37.29330 2.48460 2.34126 -37.01958 1121.54597
|
|
7800.0000 -40.13323 -37.26197 2.87126 2.31304 -37.21335 1100.11686
|
|
7805.0000 -38.09937 -36.00522 2.09415 2.43286 -36.39042 1173.87705
|
|
7810.0000 -38.33873 -36.00118 2.33755 2.46702 -36.15578 1232.68649
|
|
7815.0000 -38.89380 -36.48813 2.40567 2.42562 -36.44012 1085.05282
|
|
7820.0000 -38.98865 -37.62094 1.36771 2.32964 -37.09935 1017.08132
|
|
7825.0000 -40.02428 -37.30270 2.72158 2.27219 -37.49393 1099.98000
|
|
7830.0000 -39.55596 -36.84794 2.70802 2.28699 -37.39229 1072.53131
|
|
7835.0000 -40.42213 -37.74223 2.67990 2.35918 -36.89645 1103.13441
|
|
7840.0000 -40.15357 -37.91366 2.23991 2.21816 -37.86506 936.68341
|
|
7845.0000 -39.31337 -36.64286 2.67051 2.26014 -37.57669 1071.43940
|
|
7850.0000 -39.62264 -36.95860 2.66404 2.36029 -36.88885 1165.72909
|
|
7855.0000 -39.41147 -35.92621 3.48526 2.42675 -36.43237 1189.70074
|
|
7860.0000 -38.17236 -35.54798 2.62438 2.49912 -35.93531 1246.25566
|
|
7865.0000 -37.82892 -35.24457 2.58434 2.58797 -35.32508 1425.51170
|
|
7870.0000 -39.26382 -35.63728 3.62654 2.55937 -35.52153 1371.45709
|
|
7875.0000 -38.64067 -35.42277 3.21790 2.55246 -35.56897 1363.55172
|
|
7880.0000 -39.49869 -37.29773 2.20096 2.45609 -36.23087 1233.72745
|
|
7885.0000 -40.37517 -38.73803 1.63714 2.19073 -38.05346 910.89133
|
|
7890.0000 -40.05102 -37.73109 2.31993 2.17443 -38.16537 969.66117
|
|
7895.0000 -39.28554 -37.03874 2.24680 2.23410 -37.75555 1019.72431
|
|
7900.0000 -40.31014 -37.20060 3.10954 2.35248 -36.94250 1081.44080
|
|
7905.0000 -39.45024 -36.81839 2.63185 2.36912 -36.82823 1140.83814
|
|
7910.0000 -38.72849 -37.26437 1.46411 2.35147 -36.94945 1127.51349
|
|
7915.0000 -39.88812 -36.21942 3.66869 2.42369 -36.45343 1209.05170
|
|
7920.0000 -39.56390 -36.86778 2.69611 2.42932 -36.41473 1243.58224
|
|
7925.0000 -38.95087 -37.11611 1.83476 2.35980 -36.89223 1214.84979
|
|
7930.0000 -39.03175 -35.94890 3.08284 2.37312 -36.80073 1124.76984
|
|
7935.0000 -38.82640 -36.24139 2.58501 2.47306 -36.11430 1265.15908
|
|
7940.0000 -39.01137 -36.35732 2.65405 2.38566 -36.71459 1130.43490
|
|
7945.0000 -40.06384 -37.21890 2.84494 2.37826 -36.76541 1169.10658
|
|
7950.0000 -38.97650 -36.62062 2.35588 2.32743 -37.11454 1103.12170
|
|
7955.0000 -39.88281 -36.46217 3.42064 2.39053 -36.68115 1166.96620
|
|
7960.0000 -38.29792 -35.09245 3.20547 2.60658 -35.19725 1408.10534
|
|
7965.0000 -40.31913 -37.97573 2.34340 2.38375 -36.72774 1137.60591
|
|
7970.0000 -40.66463 -38.81318 1.85145 2.18500 -38.09278 926.77066
|
|
7975.0000 -40.52510 -37.26927 3.25583 2.17342 -38.17232 910.98453
|
|
7980.0000 -39.58996 -38.06381 1.52616 2.20841 -37.93198 908.21591
|
|
7985.0000 -39.97046 -37.32281 2.64764 2.19439 -38.02830 943.31985
|
|
7990.0000 -40.16726 -37.22121 2.94605 2.22233 -37.83638 1004.15258
|
|
7995.0000 -39.79518 -36.80669 2.98849 2.30930 -37.23904 1035.51278
|
|
8000.0000 -38.77178 -36.05840 2.71338 2.37229 -36.80646 1147.01315
|
|
MELTING PROCESS: loop number 33 T-loop= 1130.0000000000000
|
|
main_MD> interactions number 33 at Temperature= 1130.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.95248 2.66503 -2.83663
|
|
force_rgl> df(natom) 1.88805 -5.60833 0.60877
|
|
8005.0000 -39.19418 -35.70652 3.48765 2.43350 -36.38600 1217.52705
|
|
8010.0000 -39.58045 -36.98934 2.59110 2.45682 -36.22583 1196.39829
|
|
8015.0000 -39.14677 -36.15676 2.99002 2.40857 -36.55722 1205.31538
|
|
8020.0000 -40.10937 -37.77561 2.33376 2.33965 -37.03061 1103.12386
|
|
8025.0000 -39.57528 -36.92221 2.65308 2.25980 -37.57907 1065.57756
|
|
8030.0000 -39.66301 -37.41283 2.25018 2.32420 -37.13674 1064.28532
|
|
8035.0000 -39.78997 -36.97190 2.81807 2.24575 -37.67557 1057.27621
|
|
8040.0000 -39.28814 -36.26848 3.01966 2.46328 -36.18152 1299.96283
|
|
8045.0000 -40.53845 -38.24007 2.29837 2.25842 -37.58855 1023.24670
|
|
8050.0000 -40.39271 -37.48288 2.90984 2.29590 -37.33109 1032.07397
|
|
8055.0000 -38.90404 -36.41655 2.48750 2.36345 -36.86716 1128.47197
|
|
8060.0000 -39.29822 -36.52634 2.77188 2.47235 -36.11922 1202.43806
|
|
8065.0000 -39.98087 -36.93828 3.04260 2.30702 -37.25473 1035.84958
|
|
8070.0000 -39.05122 -36.51000 2.54122 2.40660 -36.57078 1177.73816
|
|
8075.0000 -39.43301 -37.34218 2.09083 2.29824 -37.31503 1028.86808
|
|
8080.0000 -39.24953 -36.11449 3.13504 2.30789 -37.24873 1029.06993
|
|
8085.0000 -39.98695 -36.59273 3.39423 2.42744 -36.42765 1209.16165
|
|
8090.0000 -39.10663 -36.10706 2.99957 2.44807 -36.28597 1287.84435
|
|
8095.0000 -39.41144 -36.85721 2.55422 2.33281 -37.07762 1124.94900
|
|
8100.0000 -38.82644 -35.96722 2.85922 2.45230 -36.25691 1219.05993
|
|
8105.0000 -38.71880 -36.41334 2.30545 2.45879 -36.21231 1287.67172
|
|
8110.0000 -38.41482 -36.78004 1.63478 2.49177 -35.98580 1169.74054
|
|
8115.0000 -39.77746 -36.93381 2.84366 2.32120 -37.15735 1032.64113
|
|
8120.0000 -39.98554 -38.09131 1.89422 2.22985 -37.78475 1043.97577
|
|
8125.0000 -40.06622 -37.76824 2.29798 2.27923 -37.44557 1104.52590
|
|
8130.0000 -39.51758 -38.04903 1.46855 2.20797 -37.93503 912.43069
|
|
8135.0000 -39.89628 -37.57433 2.32195 2.18041 -38.12433 932.11312
|
|
8140.0000 -40.44355 -37.51062 2.93293 2.32483 -37.13240 1070.58673
|
|
8145.0000 -38.48097 -36.16392 2.31705 2.37324 -36.79992 1155.42889
|
|
8150.0000 -39.99390 -37.09006 2.90384 2.40657 -36.57098 1147.55796
|
|
8155.0000 -39.99452 -37.48168 2.51284 2.36470 -36.85857 1076.28922
|
|
8160.0000 -39.75704 -36.62917 3.12787 2.37370 -36.79673 1099.45789
|
|
8165.0000 -39.80713 -38.13552 1.67162 2.32176 -37.15352 1076.98659
|
|
8170.0000 -40.01306 -37.40853 2.60453 2.22873 -37.79242 1028.08776
|
|
8175.0000 -40.80396 -38.25462 2.54934 2.26701 -37.52951 1056.24087
|
|
8180.0000 -39.95278 -37.68210 2.27068 2.17321 -38.17376 942.12391
|
|
8185.0000 -39.39972 -36.63645 2.76327 2.35225 -36.94411 1128.47766
|
|
8190.0000 -39.96434 -36.22592 3.73842 2.39424 -36.65568 1208.04220
|
|
8195.0000 -39.17131 -37.49884 1.67247 2.36349 -36.86685 1142.69822
|
|
8200.0000 -39.64596 -37.78563 1.86033 2.21873 -37.86110 956.00742
|
|
8205.0000 -38.49617 -36.35115 2.14502 2.32691 -37.11811 1111.05109
|
|
8210.0000 -39.89213 -35.60831 4.28382 2.54690 -35.60713 1251.49310
|
|
8215.0000 -40.23159 -38.02250 2.20909 2.38143 -36.74363 1114.70707
|
|
8220.0000 -39.15151 -35.91509 3.23641 2.39952 -36.61939 1201.16080
|
|
8225.0000 -38.40521 -35.35972 3.04550 2.54223 -35.63923 1352.36581
|
|
8230.0000 -38.45382 -36.17296 2.28086 2.44957 -36.27563 1192.62710
|
|
8235.0000 -39.40815 -36.17879 3.22936 2.45214 -36.25799 1219.72529
|
|
8240.0000 -40.20344 -37.33954 2.86391 2.39447 -36.65411 1143.26492
|
|
8245.0000 -40.51915 -37.98367 2.53548 2.26937 -37.51332 1085.73953
|
|
8250.0000 -40.38543 -37.67799 2.70744 2.25227 -37.63078 989.72942
|
|
MELTING PROCESS: loop number 34 T-loop= 1155.0000000000000
|
|
main_MD> interactions number 34 at Temperature= 1155.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.65608 3.12032 0.68765
|
|
force_rgl> df(natom) -1.28906 -0.40804 -1.34596
|
|
8255.0000 -39.48844 -35.83156 3.65688 2.35385 -36.93312 1192.55508
|
|
8260.0000 -39.14229 -36.39868 2.74361 2.54038 -35.65197 1335.91629
|
|
8265.0000 -39.00887 -35.96559 3.04328 2.43923 -36.34668 1192.67589
|
|
8270.0000 -40.26347 -36.97565 3.28782 2.36209 -36.87646 1109.44312
|
|
8275.0000 -39.47605 -38.07602 1.40004 2.33730 -37.04675 1147.95729
|
|
8280.0000 -39.68765 -37.48011 2.20754 2.21809 -37.86549 950.68480
|
|
8285.0000 -38.93721 -36.17814 2.75908 2.38932 -36.68947 1169.89382
|
|
8290.0000 -39.15897 -36.26662 2.89235 2.41052 -36.54386 1187.87070
|
|
8295.0000 -39.05867 -36.40449 2.65418 2.40169 -36.60451 1196.78801
|
|
8300.0000 -38.94155 -36.36775 2.57380 2.44836 -36.28398 1167.06484
|
|
8305.0000 -39.23516 -36.85777 2.37739 2.39509 -36.64981 1123.76502
|
|
8310.0000 -40.12505 -37.26123 2.86382 2.32810 -37.10992 1096.93958
|
|
8315.0000 -39.70144 -36.16934 3.53211 2.34461 -36.99654 1141.74253
|
|
8320.0000 -39.70946 -36.90059 2.80887 2.46169 -36.19243 1265.96128
|
|
8325.0000 -39.47915 -37.36508 2.11407 2.35705 -36.91109 1137.37213
|
|
8330.0000 -40.28139 -38.04831 2.23308 2.20030 -37.98774 907.25181
|
|
8335.0000 -39.97094 -37.34152 2.62942 2.23373 -37.75810 983.22073
|
|
8340.0000 -40.13421 -36.97063 3.16358 2.36445 -36.86026 1129.17419
|
|
8345.0000 -39.12758 -36.43198 2.69560 2.42768 -36.42598 1188.16754
|
|
8350.0000 -38.70651 -36.49601 2.21050 2.43233 -36.39408 1199.13708
|
|
8355.0000 -38.98128 -35.86844 3.11285 2.52345 -35.76824 1283.76399
|
|
8360.0000 -38.86695 -36.16914 2.69782 2.43631 -36.36670 1189.44468
|
|
8365.0000 -37.55641 -35.28256 2.27385 2.47994 -36.06707 1190.12464
|
|
8370.0000 -38.76368 -35.69335 3.07033 2.54110 -35.64701 1342.34991
|
|
8375.0000 -39.50134 -36.02905 3.47229 2.43739 -36.35931 1172.27113
|
|
8380.0000 -39.47274 -35.79574 3.67700 2.45914 -36.20993 1302.86788
|
|
8385.0000 -39.66146 -36.80212 2.85934 2.39016 -36.68372 1182.11277
|
|
8390.0000 -39.21855 -36.09366 3.12489 2.39986 -36.61710 1246.25529
|
|
8395.0000 -38.88004 -36.02331 2.85672 2.40112 -36.60839 1178.55852
|
|
8400.0000 -39.10885 -36.17950 2.92934 2.53225 -35.70776 1352.61308
|
|
8405.0000 -39.23325 -36.74505 2.48819 2.43375 -36.38433 1165.60523
|
|
8410.0000 -37.85603 -34.05969 3.79634 2.62061 -35.10092 1414.45615
|
|
8415.0000 -37.98770 -35.33551 2.65218 2.66314 -34.80880 1510.32701
|
|
8420.0000 -39.58330 -37.13822 2.44508 2.51556 -35.82242 1339.78771
|
|
8425.0000 -39.57169 -36.25871 3.31299 2.42419 -36.44998 1202.45305
|
|
8430.0000 -37.85436 -35.75462 2.09974 2.51263 -35.84257 1294.58007
|
|
8435.0000 -39.09601 -35.63004 3.46597 2.51928 -35.79685 1249.32426
|
|
8440.0000 -39.23095 -35.97779 3.25316 2.52130 -35.78297 1365.43913
|
|
8445.0000 -38.94089 -36.00609 2.93480 2.40799 -36.56121 1207.47059
|
|
8450.0000 -39.11326 -36.36416 2.74910 2.39773 -36.63171 1172.90099
|
|
8455.0000 -38.61485 -36.29132 2.32353 2.41295 -36.52720 1123.40390
|
|
8460.0000 -37.80315 -35.05355 2.74961 2.54040 -35.65178 1208.94583
|
|
8465.0000 -39.39528 -37.11241 2.28287 2.48484 -36.03338 1184.52683
|
|
8470.0000 -39.30139 -37.38301 1.91838 2.29898 -37.30997 1045.82585
|
|
8475.0000 -39.56527 -36.58874 2.97653 2.31578 -37.19459 1114.57322
|
|
8480.0000 -39.54284 -37.88793 1.65491 2.31769 -37.18146 1143.12834
|
|
8485.0000 -37.88748 -35.03745 2.85002 2.40079 -36.61068 1164.91119
|
|
8490.0000 -39.15461 -36.89973 2.25488 2.55036 -35.58341 1350.40769
|
|
8495.0000 -40.06770 -37.16701 2.90069 2.40278 -36.59703 1121.53924
|
|
8500.0000 -39.83773 -36.82789 3.00984 2.36616 -36.84854 1203.96794
|
|
MELTING PROCESS: loop number 35 T-loop= 1180.0000000000000
|
|
main_MD> interactions number 35 at Temperature= 1180.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.51952 1.43283 2.12086
|
|
force_rgl> df(natom) 1.83323 1.55335 0.28884
|
|
8505.0000 -39.19529 -36.85289 2.34240 2.39370 -36.65939 1119.22162
|
|
8510.0000 -38.40206 -35.94871 2.45335 2.44253 -36.32403 1183.71089
|
|
8515.0000 -38.84554 -36.62682 2.21872 2.38552 -36.71556 1164.22226
|
|
8520.0000 -39.15523 -36.17338 2.98185 2.35820 -36.90319 1114.81789
|
|
8525.0000 -38.89121 -36.21095 2.68026 2.51726 -35.81074 1309.75928
|
|
8530.0000 -39.05321 -35.98795 3.06527 2.46854 -36.14536 1258.66469
|
|
8535.0000 -39.25323 -37.03901 2.21422 2.39808 -36.62928 1166.47574
|
|
8540.0000 -38.39538 -35.18515 3.21023 2.46697 -36.15614 1309.51798
|
|
8545.0000 -37.94580 -35.16188 2.78392 2.64816 -34.91167 1510.51690
|
|
8550.0000 -39.30405 -36.31696 2.98709 2.47472 -36.10288 1194.74223
|
|
8555.0000 -39.72378 -37.00546 2.71832 2.37775 -36.76896 1149.37855
|
|
8560.0000 -38.25067 -35.49349 2.75719 2.46879 -36.14367 1233.60309
|
|
8565.0000 -38.54188 -35.36641 3.17546 2.55509 -35.55091 1355.39141
|
|
8570.0000 -38.33913 -34.92623 3.41291 2.46916 -36.14107 1268.40797
|
|
8575.0000 -38.74264 -35.65373 3.08892 2.62691 -35.05765 1385.57053
|
|
8580.0000 -40.25961 -36.60145 3.65815 2.49625 -35.95505 1185.57914
|
|
8585.0000 -39.40595 -36.64087 2.76508 2.41123 -36.53900 1168.71026
|
|
8590.0000 -40.11948 -38.09322 2.02625 2.34279 -37.00903 1112.69199
|
|
8595.0000 -39.80237 -37.37728 2.42509 2.26124 -37.56915 990.78819
|
|
8600.0000 -40.55866 -36.98013 3.57853 2.31105 -37.22703 1075.92355
|
|
8605.0000 -39.80590 -36.92290 2.88299 2.32757 -37.11355 1115.95886
|
|
8610.0000 -39.40919 -36.01589 3.39330 2.47107 -36.12795 1318.28655
|
|
8615.0000 -40.19047 -36.88236 3.30811 2.35575 -36.92006 1180.46092
|
|
8620.0000 -39.50947 -36.55577 2.95370 2.33873 -37.03697 1121.32269
|
|
8625.0000 -39.53681 -36.95085 2.58595 2.43025 -36.40838 1314.29051
|
|
8630.0000 -39.63080 -35.92030 3.71050 2.49422 -35.96896 1271.52921
|
|
8635.0000 -37.98290 -35.38107 2.60184 2.54602 -35.61319 1377.47518
|
|
8640.0000 -38.46194 -35.55218 2.90976 2.60534 -35.20581 1415.45803
|
|
8645.0000 -38.16437 -35.37613 2.78825 2.60024 -35.24079 1337.69089
|
|
8650.0000 -38.97985 -36.10593 2.87392 2.43216 -36.39521 1151.26484
|
|
8655.0000 -40.70149 -38.36037 2.34113 2.33414 -37.06849 1025.17521
|
|
8660.0000 -38.77842 -36.64124 2.13719 2.26762 -37.52537 981.43971
|
|
8665.0000 -39.11876 -36.76403 2.35473 2.38103 -36.74643 1090.50001
|
|
8670.0000 -39.62516 -37.03148 2.59367 2.29391 -37.34474 1026.20261
|
|
8675.0000 -39.41711 -36.95590 2.46120 2.34692 -36.98066 1200.97882
|
|
8680.0000 -39.92709 -36.70994 3.21716 2.33976 -37.02984 1142.96536
|
|
8685.0000 -38.30083 -35.92582 2.37501 2.39652 -36.64005 1122.94897
|
|
8690.0000 -39.37982 -35.59089 3.78894 2.54314 -35.63296 1315.55016
|
|
8695.0000 -38.16666 -35.17699 2.98968 2.59018 -35.30991 1333.89842
|
|
8700.0000 -36.71514 -34.50449 2.21065 2.66970 -34.76375 1446.39405
|
|
8705.0000 -38.99821 -36.08789 2.91032 2.57976 -35.38146 1375.84398
|
|
8710.0000 -39.66689 -37.14637 2.52053 2.42802 -36.42370 1266.30465
|
|
8715.0000 -39.62351 -36.89919 2.72432 2.32673 -37.11934 1127.28847
|
|
8720.0000 -40.50355 -37.72055 2.78300 2.32542 -37.12835 1067.34734
|
|
8725.0000 -40.81018 -39.02628 1.78390 2.16311 -38.24312 975.83309
|
|
8730.0000 -39.87323 -37.56478 2.30845 2.18604 -38.08566 976.16572
|
|
8735.0000 -39.84262 -37.39508 2.44754 2.26767 -37.52502 1046.71492
|
|
8740.0000 -39.25640 -36.88186 2.37454 2.32737 -37.11493 1106.56073
|
|
8745.0000 -39.32039 -36.87483 2.44556 2.41363 -36.52251 1215.66221
|
|
8750.0000 -39.54947 -37.59221 1.95726 2.30422 -37.27397 1149.79366
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 32.1890550 [s].
|
|
main_MD> Deallocating global variables
|