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_54.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 = 54 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: 54 5400
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main_MD> Size of nv and nvoiz: 54 5400
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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 = 54
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main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
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main_MD> collvar_wanted = F
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main_MD> INPUT AND POTENTIAL FILE READING IS DONE
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main_MD> THERMALIZATION IS STARTING
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init> 1.5814175931913452E-002 -0.10912403917190971 -0.11662734588088940 initial drift of cluster / NP1 for coalescence
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init> 0.37507787303552143 0.36304172807151008 0.34043480945220900 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.9055392125450796E-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) 1.07302 -0.69572 0.72795
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force_rgl> df(natom) 1.19142 -0.72530 1.18855
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preparo> THERMALIZATION PROCESS AT 314.01313319332860
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -135.08659754873128 2.3129651872725132 -137.39956273600379 3.6491585687948815E-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= 340.00000000000000
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main_MD> interactions number 1 at Temperature= 340.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.71133 0.79178 -0.20722
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force_rgl> df(natom) -1.04437 -1.02455 -0.86096
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5.0000 -136.52667 -134.41249 2.11418 1.75174 -134.27356 334.60834
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10.0000 -136.32957 -133.17128 3.15829 1.78330 -133.82266 373.91537
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15.0000 -136.90057 -134.22285 2.67771 1.80031 -133.57963 379.48435
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20.0000 -136.65567 -134.39099 2.26468 1.75450 -134.23418 333.41644
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25.0000 -136.60863 -134.37546 2.23317 1.73886 -134.45763 319.02617
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30.0000 -136.53541 -134.52528 2.01013 1.74270 -134.40276 320.49162
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35.0000 -136.61685 -134.32758 2.28927 1.74044 -134.43498 323.27502
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40.0000 -136.91609 -135.08400 1.83210 1.71336 -134.82196 293.26738
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45.0000 -136.47441 -134.26290 2.21151 1.72183 -134.70084 306.13548
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50.0000 -136.84259 -134.74247 2.10012 1.71695 -134.77059 299.47712
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55.0000 -136.13820 -134.21523 1.92297 1.72665 -134.63201 305.75019
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60.0000 -136.75825 -134.06701 2.69125 1.76943 -134.02079 344.09739
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65.0000 -136.64303 -134.42626 2.21677 1.77887 -133.88601 354.41267
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70.0000 -136.70083 -134.69762 2.00321 1.73019 -134.58149 312.25248
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75.0000 -136.70446 -134.57948 2.12499 1.74066 -134.43191 321.43633
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80.0000 -136.79922 -134.64159 2.15763 1.73356 -134.53325 309.19024
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85.0000 -136.64378 -134.43773 2.20605 1.74292 -134.39952 323.25795
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90.0000 -136.81813 -134.17812 2.64001 1.74022 -134.43819 321.58896
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95.0000 -136.31474 -134.05284 2.26191 1.75711 -134.19682 337.99819
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100.0000 -135.97441 -133.85210 2.12231 1.76869 -134.03141 340.57394
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105.0000 -136.19814 -134.01238 2.18576 1.78268 -133.83160 362.67565
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110.0000 -136.49225 -134.13048 2.36178 1.75481 -134.22978 329.25034
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115.0000 -136.43144 -133.86090 2.57053 1.77218 -133.98159 344.61037
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120.0000 -136.24655 -134.09259 2.15395 1.77755 -133.90478 347.73481
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125.0000 -136.44950 -134.18541 2.26409 1.75696 -134.19906 331.46925
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130.0000 -136.06401 -134.04260 2.02141 1.75924 -134.16636 339.41293
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135.0000 -136.03506 -133.71409 2.32096 1.79457 -133.66167 367.26002
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140.0000 -136.47313 -134.14237 2.33076 1.77394 -133.95638 351.99966
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145.0000 -136.92427 -134.31913 2.60514 1.75301 -134.25545 331.83211
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150.0000 -136.52725 -134.61854 1.90871 1.76139 -134.13576 338.41134
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155.0000 -136.63269 -134.39212 2.24058 1.75280 -134.25838 331.99353
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160.0000 -136.62737 -134.96742 1.65995 1.72621 -134.63835 305.00268
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165.0000 -136.65577 -134.51865 2.13712 1.72405 -134.66915 307.58327
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170.0000 -136.80597 -134.63273 2.17324 1.74621 -134.35263 332.70132
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175.0000 -137.13496 -134.46091 2.67405 1.75727 -134.19455 339.09848
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180.0000 -136.80798 -134.07624 2.73173 1.74165 -134.41775 324.49106
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185.0000 -136.71648 -134.19046 2.52602 1.78772 -133.75952 369.11976
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190.0000 -136.25843 -133.65956 2.59887 1.80211 -133.55392 385.09414
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195.0000 -135.91032 -133.90870 2.00162 1.77065 -134.00338 345.91440
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200.0000 -136.32292 -133.65510 2.66782 1.76855 -134.03335 348.01905
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205.0000 -135.70839 -133.13712 2.57127 1.81455 -133.37625 388.97620
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210.0000 -135.98151 -133.63862 2.34289 1.79602 -133.64098 370.81996
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215.0000 -136.16497 -133.81296 2.35201 1.78892 -133.74236 361.60984
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220.0000 -136.24678 -133.85418 2.39260 1.76702 -134.05523 334.16574
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225.0000 -136.39613 -133.79117 2.60496 1.78933 -133.73653 363.36802
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230.0000 -136.32089 -133.79114 2.52974 1.76958 -134.01872 350.78749
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235.0000 -136.71352 -134.13912 2.57439 1.76374 -134.10216 339.07599
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240.0000 -136.68193 -134.33185 2.35007 1.75949 -134.16283 339.87683
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245.0000 -136.56460 -134.11740 2.44721 1.74924 -134.30935 329.89047
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250.0000 -136.45402 -134.05343 2.40059 1.77817 -133.89596 354.71539
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MELTING PROCESS: loop number 2 T-loop= 365.00000000000000
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main_MD> interactions number 2 at Temperature= 365.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.66168 -0.21130 -0.55578
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force_rgl> df(natom) -0.37907 1.24245 0.43375
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255.0000 -136.04159 -133.71391 2.32767 1.78528 -133.79434 369.34641
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260.0000 -136.32549 -133.70641 2.61908 1.80225 -133.55193 384.55691
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265.0000 -136.51541 -133.93914 2.57626 1.78197 -133.84173 363.72022
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270.0000 -136.42613 -133.94430 2.48183 1.76128 -134.13733 344.44896
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275.0000 -136.09989 -134.04612 2.05377 1.77832 -133.89381 357.26922
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280.0000 -136.39872 -133.34607 3.05265 1.75867 -134.17452 344.48262
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285.0000 -136.75196 -134.36323 2.38873 1.78835 -133.75059 366.79877
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290.0000 -136.05174 -133.82388 2.22786 1.76611 -134.06824 345.71548
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295.0000 -136.26904 -133.83235 2.43669 1.77362 -133.96098 356.98817
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300.0000 -136.35713 -133.52338 2.83375 1.78167 -133.84595 362.81018
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305.0000 -136.17042 -133.70711 2.46331 1.81276 -133.40177 391.27823
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310.0000 -136.35642 -134.03200 2.32442 1.77745 -133.90627 351.53302
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315.0000 -136.15139 -133.64527 2.50612 1.80005 -133.58334 374.44543
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320.0000 -136.47343 -133.64658 2.82685 1.80297 -133.54166 381.09780
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325.0000 -136.36781 -133.68068 2.68712 1.77834 -133.89352 353.60087
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330.0000 -135.92824 -132.84187 3.08637 1.81601 -133.35539 382.79222
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335.0000 -136.24402 -133.40693 2.83708 1.83995 -133.01340 407.28504
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340.0000 -136.09814 -133.72679 2.37135 1.78179 -133.84427 354.51871
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345.0000 -136.23786 -134.01297 2.22489 1.77972 -133.87386 357.22471
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350.0000 -136.38140 -133.84191 2.53949 1.76053 -134.14797 340.50754
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355.0000 -136.35467 -134.00952 2.34515 1.76936 -134.02187 351.50584
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360.0000 -136.13997 -133.73186 2.40811 1.79620 -133.63837 374.17519
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365.0000 -136.65009 -134.03354 2.61655 1.77774 -133.90219 357.80965
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370.0000 -135.60983 -133.03979 2.57004 1.79646 -133.63466 371.22323
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375.0000 -136.40017 -134.05297 2.34720 1.80542 -133.50668 375.46943
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380.0000 -136.43688 -133.71630 2.72058 1.78815 -133.75344 361.29922
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385.0000 -136.69943 -133.81760 2.88183 1.79113 -133.71085 370.52723
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390.0000 -136.24739 -133.99390 2.25349 1.79674 -133.63063 373.43134
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395.0000 -136.05649 -133.42637 2.63013 1.78523 -133.79512 361.90587
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400.0000 -136.12614 -133.72889 2.39725 1.81721 -133.33827 391.01801
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405.0000 -136.51126 -134.19341 2.31784 1.77596 -133.92759 351.65253
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410.0000 -136.48091 -133.82273 2.65819 1.75505 -134.22633 333.84362
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415.0000 -136.35984 -133.49666 2.86318 1.78665 -133.77479 360.04798
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420.0000 -135.86198 -133.75637 2.10561 1.79184 -133.70062 366.80493
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425.0000 -136.42760 -133.92041 2.50720 1.79141 -133.70681 370.00522
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430.0000 -136.17875 -133.66926 2.50949 1.78139 -133.84999 356.79546
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435.0000 -135.90671 -133.55442 2.35229 1.79998 -133.58437 371.99503
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440.0000 -135.97140 -133.43645 2.53495 1.82147 -133.27735 401.24425
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445.0000 -135.94774 -133.36267 2.58507 1.80524 -133.50917 380.47839
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450.0000 -135.86278 -132.88171 2.98107 1.83247 -133.12021 411.13152
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455.0000 -136.63773 -133.80490 2.83283 1.80811 -133.46817 378.61038
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460.0000 -135.62188 -132.82952 2.79236 1.81830 -133.32265 395.54035
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465.0000 -135.57126 -132.95242 2.61884 1.82466 -133.23181 402.35672
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470.0000 -136.40043 -134.24953 2.15090 1.78563 -133.78940 356.18590
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475.0000 -136.34992 -133.64576 2.70416 1.76121 -134.13834 340.41306
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480.0000 -136.27742 -133.66160 2.61581 1.78414 -133.81069 356.64193
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485.0000 -136.32294 -133.67928 2.64367 1.81949 -133.30566 390.80219
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490.0000 -135.88425 -133.74963 2.13463 1.78693 -133.77079 356.88197
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495.0000 -136.04755 -133.30728 2.74027 1.80103 -133.56943 375.07409
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500.0000 -136.08510 -133.28998 2.79512 1.81870 -133.31696 390.81214
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MELTING PROCESS: loop number 3 T-loop= 390.00000000000000
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main_MD> interactions number 3 at Temperature= 390.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.21494 -1.08161 0.92237
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force_rgl> df(natom) -0.86317 -0.84997 0.84221
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505.0000 -136.24372 -133.17588 3.06784 1.80965 -133.44619 384.70273
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510.0000 -136.01829 -133.76858 2.24971 1.80340 -133.53557 379.88899
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515.0000 -136.02875 -132.85546 3.17329 1.82259 -133.26132 395.03422
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520.0000 -136.30889 -133.58758 2.72131 1.83375 -133.10193 416.27487
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525.0000 -135.93633 -132.93958 2.99674 1.80187 -133.55732 374.45814
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530.0000 -135.49712 -132.12699 3.37013 1.88322 -132.39510 452.37263
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535.0000 -136.29176 -133.12772 3.16404 1.84358 -132.96149 416.11579
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540.0000 -136.22460 -133.97590 2.24869 1.80313 -133.53941 375.68041
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545.0000 -136.28057 -134.09704 2.18353 1.76804 -134.04075 343.90848
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550.0000 -135.85231 -132.87139 2.98093 1.81345 -133.39191 385.12083
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555.0000 -135.64316 -133.32751 2.31565 1.80883 -133.45789 385.83730
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560.0000 -136.21280 -133.40203 2.81077 1.79661 -133.63247 370.23209
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565.0000 -136.36916 -133.31394 3.05522 1.83921 -133.02392 409.21966
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570.0000 -135.82318 -132.81249 3.01069 1.82232 -133.26528 392.77279
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575.0000 -136.39393 -133.95841 2.43552 1.81058 -133.43301 383.28768
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580.0000 -135.70584 -132.76468 2.94116 1.79763 -133.61793 368.35343
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585.0000 -135.72581 -132.33989 3.38592 1.86915 -132.59618 436.52142
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590.0000 -135.75393 -132.48766 3.26627 1.89568 -132.21720 460.72371
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595.0000 -136.09531 -133.20428 2.89104 1.85671 -132.77385 423.56982
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600.0000 -136.26043 -133.80550 2.45493 1.80515 -133.51051 379.21418
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605.0000 -136.60331 -134.31407 2.28923 1.76518 -134.08151 338.66212
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610.0000 -135.94897 -133.17497 2.77399 1.79499 -133.65564 364.76208
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615.0000 -135.50184 -132.88505 2.61679 1.85431 -132.80819 420.42167
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620.0000 -135.34312 -132.46636 2.87676 1.88388 -132.38580 458.28861
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625.0000 -136.03908 -132.97600 3.06308 1.86798 -132.61287 432.18788
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630.0000 -136.20569 -133.27255 2.93314 1.82537 -133.22165 399.96929
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635.0000 -136.09743 -133.49730 2.60013 1.84433 -132.95078 420.19625
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640.0000 -135.73654 -133.04575 2.69079 1.82531 -133.22246 396.27483
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645.0000 -135.95298 -133.71846 2.23451 1.81935 -133.30760 384.93504
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650.0000 -135.91513 -133.45089 2.46424 1.80058 -133.57576 366.26177
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655.0000 -135.62011 -133.07567 2.54444 1.82899 -133.16995 398.30808
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660.0000 -135.61452 -133.08199 2.53253 1.85783 -132.75798 434.61703
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665.0000 -136.04411 -132.89267 3.15143 1.82402 -133.24097 396.53331
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670.0000 -135.69761 -132.48368 3.21393 1.85914 -132.73916 440.65433
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675.0000 -136.67914 -133.98152 2.69762 1.83035 -133.15048 407.83248
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680.0000 -136.23763 -134.01709 2.22054 1.78912 -133.73948 367.71001
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685.0000 -136.59360 -133.86493 2.72867 1.78904 -133.74075 367.62291
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690.0000 -136.38134 -133.48943 2.89191 1.78876 -133.74469 362.17486
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695.0000 -136.15143 -133.44943 2.70200 1.81198 -133.41292 379.84091
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700.0000 -136.79819 -134.07206 2.72613 1.80307 -133.54024 377.58792
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705.0000 -136.20461 -133.40307 2.80154 1.77365 -133.96055 342.62171
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710.0000 -136.24137 -132.84085 3.40051 1.84378 -132.95865 415.80069
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715.0000 -136.24021 -133.43724 2.80298 1.84450 -132.94840 413.98940
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720.0000 -136.29612 -134.11920 2.17692 1.78906 -133.74038 359.54850
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725.0000 -136.14559 -133.85397 2.29162 1.76437 -134.09309 348.81157
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730.0000 -135.85037 -133.36969 2.48068 1.79112 -133.71092 375.41250
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735.0000 -136.13024 -133.51355 2.61669 1.81676 -133.34473 392.50150
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740.0000 -136.04124 -133.47348 2.56777 1.80996 -133.44177 381.22929
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745.0000 -136.14357 -133.37192 2.77165 1.78719 -133.76707 363.00372
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750.0000 -135.47076 -133.11678 2.35398 1.80026 -133.58038 370.90780
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MELTING PROCESS: loop number 4 T-loop= 415.00000000000000
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main_MD> interactions number 4 at Temperature= 415.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.07793 -0.47995 1.41620
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force_rgl> df(natom) -1.61703 -1.97750 2.67906
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755.0000 -136.07387 -132.49567 3.57820 1.84716 -132.91032 419.71357
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760.0000 -135.85672 -133.23325 2.62347 1.85097 -132.85595 419.79851
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765.0000 -135.73835 -132.77599 2.96236 1.81666 -133.34605 387.69487
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770.0000 -135.74745 -133.10177 2.64568 1.84486 -132.94326 414.39848
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775.0000 -135.80429 -132.14095 3.66334 1.85059 -132.86130 424.60640
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780.0000 -135.56274 -132.71462 2.84811 1.86742 -132.62096 435.66698
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785.0000 -135.89749 -133.12708 2.77041 1.83914 -133.02490 409.76673
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790.0000 -135.56475 -133.06077 2.50397 1.83503 -133.08361 408.18172
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795.0000 -135.86524 -133.12970 2.73555 1.81807 -133.32600 394.71120
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800.0000 -136.05448 -133.29349 2.76099 1.83464 -133.08919 413.19588
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805.0000 -135.83130 -133.22725 2.60405 1.86110 -132.71122 428.36210
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810.0000 -135.99779 -133.01802 2.97977 1.85953 -132.73360 431.11583
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815.0000 -135.80617 -132.52010 3.28606 1.83913 -133.02501 408.63188
|
|
820.0000 -135.30482 -132.16186 3.14296 1.92141 -131.84954 481.77943
|
|
825.0000 -135.86451 -132.47319 3.39132 1.90594 -132.07062 469.64898
|
|
830.0000 -135.91015 -133.19416 2.71599 1.84400 -132.95552 415.38451
|
|
835.0000 -135.64871 -132.55655 3.09216 1.85456 -132.80466 423.89262
|
|
840.0000 -135.92883 -133.58755 2.34128 1.83933 -133.02220 412.09489
|
|
845.0000 -135.83119 -132.82824 3.00295 1.82552 -133.21948 394.79043
|
|
850.0000 -135.53230 -132.67317 2.85913 1.85511 -132.79672 427.43236
|
|
855.0000 -136.28456 -133.60151 2.68305 1.81770 -133.33121 391.65560
|
|
860.0000 -136.60083 -133.72660 2.87423 1.78996 -133.72753 360.89091
|
|
865.0000 -135.77783 -133.28696 2.49086 1.80696 -133.48468 382.04551
|
|
870.0000 -135.78478 -133.07923 2.70555 1.83507 -133.08314 403.33563
|
|
875.0000 -136.13504 -133.76619 2.36885 1.81278 -133.40153 378.38063
|
|
880.0000 -136.39570 -133.97006 2.42564 1.79127 -133.70876 363.89845
|
|
885.0000 -135.54222 -133.22960 2.31262 1.80598 -133.49870 373.54209
|
|
890.0000 -136.13356 -133.40481 2.72875 1.84385 -132.95761 418.44255
|
|
895.0000 -135.79725 -133.17702 2.62023 1.81750 -133.33413 390.66972
|
|
900.0000 -135.04968 -132.23713 2.81255 1.85704 -132.76919 432.85615
|
|
905.0000 -136.59027 -133.52112 3.06915 1.87133 -132.56509 462.84062
|
|
910.0000 -135.97544 -133.42963 2.54581 1.81481 -133.37252 424.71202
|
|
915.0000 -136.40037 -132.78424 3.61613 1.83630 -133.06546 441.40785
|
|
920.0000 -136.54983 -133.13392 3.41591 1.82998 -133.15575 441.40220
|
|
925.0000 -136.46965 -133.70591 2.76374 1.82628 -133.20871 429.95566
|
|
930.0000 -136.78357 -134.38634 2.39723 1.78918 -133.73870 402.04098
|
|
935.0000 -136.93976 -134.40848 2.53128 1.74468 -134.37440 362.38367
|
|
940.0000 -136.99618 -133.60951 3.38667 1.75935 -134.16483 380.63684
|
|
945.0000 -136.40782 -133.86216 2.54566 1.78612 -133.78238 396.62117
|
|
950.0000 -137.17023 -134.38235 2.78787 1.75633 -134.20796 368.29335
|
|
955.0000 -136.28785 -133.40664 2.88120 1.76812 -134.03961 386.49145
|
|
960.0000 -136.78156 -133.52786 3.25370 1.79976 -133.58753 414.60929
|
|
965.0000 -135.94323 -133.56801 2.37522 1.81452 -133.37661 430.46275
|
|
970.0000 -136.68989 -134.13868 2.55121 1.79072 -133.71662 408.27003
|
|
975.0000 -136.13008 -133.49168 2.63840 1.79755 -133.61905 407.61015
|
|
980.0000 -136.43378 -133.54670 2.88708 1.81826 -133.32319 429.76860
|
|
985.0000 -136.79624 -133.54713 3.24911 1.79952 -133.59092 414.61804
|
|
990.0000 -136.39822 -133.34494 3.05328 1.80196 -133.55612 417.48870
|
|
995.0000 -136.47871 -133.10694 3.37177 1.82315 -133.25341 435.28052
|
|
1000.0000 -135.60390 -132.88125 2.72265 1.83860 -133.03264 451.71610
|
|
MELTING PROCESS: loop number 5 T-loop= 440.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 440.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.25212 -3.41481 -0.01028
|
|
force_rgl> df(natom) 0.34755 -0.22329 0.16729
|
|
1005.0000 -136.58097 -133.87623 2.70473 1.82811 -133.18244 437.00062
|
|
1010.0000 -136.65696 -133.54607 3.11090 1.79922 -133.59518 418.50095
|
|
1015.0000 -136.87802 -133.33756 3.54045 1.80037 -133.57878 425.22189
|
|
1020.0000 -136.34596 -132.80681 3.53915 1.86193 -132.69939 473.16310
|
|
1025.0000 -136.08348 -133.09747 2.98601 1.84088 -133.00014 454.85534
|
|
1030.0000 -136.75503 -133.27980 3.47523 1.83191 -133.12826 438.24292
|
|
1035.0000 -136.34319 -133.97900 2.36419 1.81057 -133.43307 419.97996
|
|
1040.0000 -136.16454 -132.43964 3.72490 1.80209 -133.55421 413.83961
|
|
1045.0000 -136.06118 -132.65948 3.40170 1.86892 -132.59948 482.62750
|
|
1050.0000 -136.50118 -132.98357 3.51761 1.83533 -133.07931 446.39102
|
|
1055.0000 -136.05329 -133.06052 2.99277 1.87573 -132.50220 478.85311
|
|
1060.0000 -136.80899 -133.38400 3.42499 1.84315 -132.96759 449.50797
|
|
1065.0000 -135.86110 -133.42355 2.43755 1.82849 -133.17711 439.01551
|
|
1070.0000 -136.42518 -133.36367 3.06151 1.82008 -133.29724 432.29402
|
|
1075.0000 -136.20267 -133.32827 2.87440 1.81672 -133.34518 428.17214
|
|
1080.0000 -135.94271 -132.58555 3.35716 1.86860 -132.60402 477.13634
|
|
1085.0000 -136.01093 -132.12550 3.88543 1.86924 -132.59494 477.91772
|
|
1090.0000 -136.84527 -133.78468 3.06059 1.86112 -132.71094 464.66764
|
|
1095.0000 -136.44191 -133.25697 3.18494 1.83439 -133.09275 451.63241
|
|
1100.0000 -136.69811 -133.38147 3.31663 1.82167 -133.27455 438.95024
|
|
1105.0000 -135.94524 -133.56652 2.37872 1.82648 -133.20580 436.10577
|
|
1110.0000 -136.60395 -133.10121 3.50273 1.81441 -133.37827 424.10027
|
|
1115.0000 -136.88593 -134.10079 2.78514 1.81630 -133.35117 427.51654
|
|
1120.0000 -136.78022 -133.93153 2.84869 1.76941 -134.02112 386.72303
|
|
1125.0000 -136.51225 -133.61368 2.89857 1.80688 -133.48585 424.15958
|
|
1130.0000 -136.15783 -133.29162 2.86620 1.82635 -133.20766 437.11852
|
|
1135.0000 -135.99385 -132.76605 3.22780 1.82429 -133.23702 430.02680
|
|
1140.0000 -135.98559 -133.34256 2.64303 1.83706 -133.05467 441.11301
|
|
1145.0000 -136.16208 -133.54291 2.61917 1.81840 -133.32129 434.59598
|
|
1150.0000 -136.72069 -134.03908 2.68161 1.79430 -133.66556 405.32313
|
|
1155.0000 -136.44731 -133.37169 3.07561 1.80311 -133.53968 412.54017
|
|
1160.0000 -136.50224 -133.32640 3.17584 1.80413 -133.52516 418.20943
|
|
1165.0000 -136.12343 -132.94395 3.17948 1.82050 -133.29130 433.19688
|
|
1170.0000 -136.11649 -132.60723 3.50927 1.84416 -132.95316 453.93440
|
|
1175.0000 -136.50743 -133.49870 3.00873 1.81701 -133.34112 433.08691
|
|
1180.0000 -136.34789 -133.34389 3.00400 1.78889 -133.74288 401.66069
|
|
1185.0000 -136.33741 -133.19747 3.13994 1.81280 -133.40119 423.77588
|
|
1190.0000 -135.87608 -132.66879 3.20729 1.83786 -133.04318 444.85189
|
|
1195.0000 -135.74340 -132.87690 2.86650 1.81987 -133.30028 427.19538
|
|
1200.0000 -135.77071 -133.06595 2.70477 1.82637 -133.20737 437.48947
|
|
1205.0000 -136.41966 -133.31141 3.10825 1.82645 -133.20627 435.42905
|
|
1210.0000 -136.24853 -133.28859 2.95994 1.81201 -133.41252 426.26444
|
|
1215.0000 -136.08758 -133.22786 2.85972 1.82735 -133.19341 437.17644
|
|
1220.0000 -136.46090 -133.58225 2.87865 1.82280 -133.25840 435.07674
|
|
1225.0000 -136.76012 -133.48636 3.27375 1.81996 -133.29896 426.27946
|
|
1230.0000 -135.65080 -132.65789 2.99291 1.81200 -133.41260 420.64604
|
|
1235.0000 -136.15946 -132.85935 3.30011 1.88016 -132.43896 479.45390
|
|
1240.0000 -136.68885 -133.38117 3.30768 1.81393 -133.38516 424.59994
|
|
1245.0000 -136.36963 -132.98757 3.38205 1.80977 -133.44446 422.94506
|
|
1250.0000 -136.29861 -133.54449 2.75413 1.80192 -133.55672 413.37672
|
|
MELTING PROCESS: loop number 6 T-loop= 465.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 465.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.74069 -2.65117 1.39851
|
|
force_rgl> df(natom) -1.04032 0.77012 -0.40105
|
|
1255.0000 -135.85263 -132.26911 3.58352 1.83668 -133.06012 446.05115
|
|
1260.0000 -136.09740 -132.61128 3.48612 1.86363 -132.67500 474.59409
|
|
1265.0000 -135.98200 -133.11453 2.86747 1.82775 -133.18759 437.50240
|
|
1270.0000 -136.06235 -132.95714 3.10521 1.84415 -132.95340 451.55873
|
|
1275.0000 -136.14499 -133.22899 2.91600 1.83096 -133.14186 442.19679
|
|
1280.0000 -136.24987 -133.05567 3.19420 1.84355 -132.96199 457.53036
|
|
1285.0000 -136.49726 -133.13257 3.36469 1.82027 -133.29450 430.81555
|
|
1290.0000 -136.43103 -133.19207 3.23895 1.82889 -133.17136 438.88941
|
|
1295.0000 -136.19007 -132.87566 3.31442 1.86344 -132.67783 469.26104
|
|
1300.0000 -136.54690 -133.90340 2.64350 1.83062 -133.14665 443.13160
|
|
1305.0000 -136.53718 -133.33594 3.20124 1.80784 -133.47209 421.95833
|
|
1310.0000 -135.79305 -132.55268 3.24038 1.86014 -132.72486 469.42575
|
|
1315.0000 -136.45361 -132.95529 3.49832 1.85285 -132.82908 474.00581
|
|
1320.0000 -136.29437 -133.03180 3.26257 1.82873 -133.17370 435.82445
|
|
1325.0000 -136.04207 -132.93824 3.10383 1.83989 -133.01425 448.88246
|
|
1330.0000 -135.48597 -132.42577 3.06020 1.86863 -132.60357 472.68840
|
|
1335.0000 -136.44049 -133.15026 3.29023 1.85768 -132.76010 455.24462
|
|
1340.0000 -135.88802 -132.18857 3.69945 1.85139 -132.84996 457.59427
|
|
1345.0000 -135.64273 -132.33290 3.30984 1.90017 -132.15295 500.38574
|
|
1350.0000 -136.64589 -133.03607 3.60982 1.88375 -132.38753 491.46901
|
|
1355.0000 -136.44724 -133.63102 2.81623 1.81500 -133.36974 426.92453
|
|
1360.0000 -136.53923 -133.58990 2.94933 1.80693 -133.48503 417.07313
|
|
1365.0000 -136.74300 -133.41951 3.32349 1.78741 -133.76392 403.36396
|
|
1370.0000 -136.13249 -133.59896 2.53353 1.81075 -133.43054 421.48485
|
|
1375.0000 -136.46234 -133.41075 3.05159 1.80443 -133.52077 417.72573
|
|
1380.0000 -136.61510 -133.59150 3.02361 1.76859 -134.03278 383.37960
|
|
1385.0000 -136.40984 -133.38193 3.02791 1.82900 -133.16986 440.72758
|
|
1390.0000 -136.85364 -133.72037 3.13326 1.81527 -133.36588 427.37520
|
|
1395.0000 -137.09517 -133.62248 3.47268 1.79072 -133.71667 405.43310
|
|
1400.0000 -136.42417 -133.62815 2.79602 1.80323 -133.53790 422.04742
|
|
1405.0000 -137.13308 -133.89556 3.23752 1.76796 -134.04189 390.23918
|
|
1410.0000 -135.90909 -133.03225 2.87684 1.79605 -133.64048 409.57133
|
|
1415.0000 -135.84987 -132.58391 3.26596 1.84572 -132.93086 453.08669
|
|
1420.0000 -135.77089 -132.86274 2.90816 1.85958 -132.73291 475.76613
|
|
1425.0000 -136.58948 -133.94533 2.64415 1.81669 -133.34566 425.96753
|
|
1430.0000 -136.16012 -133.07637 3.08375 1.81271 -133.40250 427.99522
|
|
1435.0000 -136.21891 -132.67099 3.54793 1.86279 -132.68706 465.53983
|
|
1440.0000 -135.58937 -132.29292 3.29645 1.88022 -132.43796 485.76571
|
|
1445.0000 -135.42759 -132.28465 3.14294 1.89093 -132.28502 492.94630
|
|
1450.0000 -136.09592 -132.64755 3.44837 1.87082 -132.57235 478.45438
|
|
1455.0000 -135.99692 -132.57960 3.41732 1.88641 -132.34967 494.94909
|
|
1460.0000 -136.39883 -132.74348 3.65535 1.83448 -133.09153 442.10224
|
|
1465.0000 -136.31281 -133.19744 3.11538 1.83194 -133.12782 442.06657
|
|
1470.0000 -135.89592 -132.51434 3.38159 1.84835 -132.89341 459.60945
|
|
1475.0000 -135.38962 -132.65723 2.73238 1.85920 -132.73831 463.09026
|
|
1480.0000 -136.33587 -133.52616 2.80971 1.84602 -132.92668 458.45502
|
|
1485.0000 -136.81784 -134.07098 2.74686 1.80355 -133.53343 416.88094
|
|
1490.0000 -136.47892 -133.06081 3.41811 1.82723 -133.19511 441.27695
|
|
1495.0000 -136.40552 -132.89938 3.50614 1.82724 -133.19490 443.54498
|
|
1500.0000 -136.36408 -132.66381 3.70027 1.86497 -132.65586 474.20916
|
|
MELTING PROCESS: loop number 7 T-loop= 490.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 490.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 4.92317 1.99334 -1.29737
|
|
force_rgl> df(natom) 1.78324 -1.34485 1.26770
|
|
1505.0000 -136.03156 -132.11468 3.91688 1.88461 -132.37535 486.36874
|
|
1510.0000 -136.03054 -132.52934 3.50121 1.88857 -132.31872 496.10021
|
|
1515.0000 -136.03018 -132.14912 3.88106 1.90276 -132.11599 508.40025
|
|
1520.0000 -135.83314 -132.12174 3.71140 1.87597 -132.49868 491.64294
|
|
1525.0000 -135.14380 -131.23411 3.90969 1.89738 -132.19286 502.85890
|
|
1530.0000 -135.18114 -131.79820 3.38294 1.96274 -131.25907 563.56969
|
|
1535.0000 -135.80003 -132.84186 2.95817 1.91378 -131.95864 512.86234
|
|
1540.0000 -135.90997 -132.32113 3.58884 1.86678 -132.63001 472.20286
|
|
1545.0000 -135.75348 -132.78487 2.96861 1.86605 -132.64041 479.34207
|
|
1550.0000 -136.26710 -132.62537 3.64173 1.85980 -132.72980 476.62066
|
|
1555.0000 -135.34150 -131.86239 3.47912 1.85781 -132.75826 468.20812
|
|
1560.0000 -135.85162 -132.29318 3.55844 1.91526 -131.93746 521.14182
|
|
1565.0000 -136.06569 -133.40238 2.66330 1.82436 -133.23610 434.43194
|
|
1570.0000 -136.11324 -133.26694 2.84630 1.83401 -133.09820 446.10950
|
|
1575.0000 -135.91433 -132.26405 3.65028 1.86071 -132.71681 467.11837
|
|
1580.0000 -135.66907 -132.12668 3.54240 1.90453 -132.09079 515.78554
|
|
1585.0000 -135.59091 -132.68519 2.90572 1.88548 -132.36284 500.70264
|
|
1590.0000 -135.89920 -131.82748 4.07171 1.89971 -132.15957 502.80162
|
|
1595.0000 -135.53914 -132.43909 3.10005 1.89548 -132.21997 498.57344
|
|
1600.0000 -136.07118 -133.03224 3.03893 1.85541 -132.79251 459.55421
|
|
1605.0000 -135.68089 -131.98182 3.69907 1.84742 -132.90666 455.27750
|
|
1610.0000 -136.36138 -132.75714 3.60424 1.89418 -132.23863 506.18361
|
|
1615.0000 -135.68711 -131.91034 3.77677 1.89533 -132.22210 502.81568
|
|
1620.0000 -135.89932 -132.40561 3.49371 1.89947 -132.16295 500.03436
|
|
1625.0000 -135.98338 -132.42337 3.56001 1.87782 -132.47237 480.38813
|
|
1630.0000 -135.07613 -131.83593 3.24020 1.89186 -132.27175 497.05418
|
|
1635.0000 -135.60790 -132.26311 3.34479 1.90749 -132.04838 511.57284
|
|
1640.0000 -135.33714 -131.92314 3.41400 1.87622 -132.49513 481.97381
|
|
1645.0000 -135.36386 -132.17063 3.19323 1.88042 -132.43521 481.47885
|
|
1650.0000 -135.10470 -131.18214 3.92256 1.90877 -132.03016 516.17737
|
|
1655.0000 -134.91004 -130.44514 4.46491 2.00087 -130.71428 591.89005
|
|
1660.0000 -135.27873 -131.89950 3.37923 1.95487 -131.37161 556.90104
|
|
1665.0000 -136.08923 -132.91611 3.17312 1.90136 -132.13607 504.76904
|
|
1670.0000 -135.69401 -131.89811 3.79589 1.85406 -132.81182 463.81648
|
|
1675.0000 -135.85755 -133.13308 2.72447 1.90656 -132.06178 503.63116
|
|
1680.0000 -136.07455 -132.44837 3.62618 1.83222 -133.12375 443.68406
|
|
1685.0000 -136.22852 -132.80744 3.42108 1.85249 -132.83417 458.80982
|
|
1690.0000 -135.52628 -132.33009 3.19619 1.85641 -132.77822 475.47628
|
|
1695.0000 -136.42959 -133.48569 2.94390 1.84367 -132.96014 462.31648
|
|
1700.0000 -135.59966 -132.55189 3.04777 1.84627 -132.92313 457.67204
|
|
1705.0000 -135.55741 -132.04882 3.50860 1.89496 -132.22742 498.69829
|
|
1710.0000 -136.05330 -132.98660 3.06670 1.89622 -132.20940 506.53975
|
|
1715.0000 -135.10733 -131.52079 3.58654 1.90086 -132.14318 508.65397
|
|
1720.0000 -136.06369 -132.32618 3.73751 1.91720 -131.90971 529.02445
|
|
1725.0000 -135.55266 -132.11970 3.43297 1.89698 -132.19854 507.72805
|
|
1730.0000 -135.19997 -132.24738 2.95260 1.87096 -132.57027 475.65739
|
|
1735.0000 -135.92912 -131.71717 4.21195 1.88480 -132.37255 494.60889
|
|
1740.0000 -135.73583 -132.44153 3.29430 1.88630 -132.35123 500.83987
|
|
1745.0000 -135.88558 -132.23644 3.64914 1.86043 -132.72077 472.19033
|
|
1750.0000 -135.41440 -132.44699 2.96741 1.87460 -132.51831 473.94145
|
|
MELTING PROCESS: loop number 8 T-loop= 515.00000000000000
|
|
main_MD> interactions number 8 at Temperature= 515.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.81919 3.13267 -2.66310
|
|
force_rgl> df(natom) -1.14630 1.83230 0.18470
|
|
1755.0000 -135.45811 -131.54625 3.91186 1.91566 -131.93168 515.26284
|
|
1760.0000 -136.16286 -132.53778 3.62508 1.88834 -132.32204 495.80087
|
|
1765.0000 -135.40937 -132.15072 3.25865 1.91406 -131.95452 518.48599
|
|
1770.0000 -136.02252 -131.89712 4.12540 1.90621 -132.06679 508.15774
|
|
1775.0000 -136.29510 -132.49995 3.79515 1.88643 -132.34927 489.02857
|
|
1780.0000 -136.10027 -132.30565 3.79462 1.90124 -132.13780 506.44090
|
|
1785.0000 -135.39206 -132.07031 3.32175 1.87447 -132.52023 486.60396
|
|
1790.0000 -135.66826 -131.75440 3.91386 1.91398 -131.95569 515.13180
|
|
1795.0000 -134.65584 -131.57793 3.07791 1.94426 -131.52306 542.63325
|
|
1800.0000 -135.47142 -131.97321 3.49821 1.97180 -131.12969 566.32450
|
|
1805.0000 -136.51771 -132.88700 3.63071 1.87815 -132.46759 488.05397
|
|
1810.0000 -136.11870 -132.82075 3.29795 1.83662 -133.06096 443.89872
|
|
1815.0000 -135.54338 -131.97826 3.56512 1.86190 -132.69979 467.93449
|
|
1820.0000 -135.25229 -131.43891 3.81339 1.94600 -131.49832 535.27180
|
|
1825.0000 -135.01463 -131.57560 3.43902 1.91792 -131.89938 523.66230
|
|
1830.0000 -135.78298 -131.92028 3.86270 1.94799 -131.46987 561.05353
|
|
1835.0000 -135.88654 -132.91940 2.96713 1.86648 -132.63433 474.04211
|
|
1840.0000 -135.03626 -131.56294 3.47331 1.93712 -131.62515 547.61035
|
|
1845.0000 -134.98852 -131.28709 3.70142 1.95205 -131.41186 548.55296
|
|
1850.0000 -135.94672 -132.67178 3.27494 1.92727 -131.76582 528.71736
|
|
1855.0000 -135.75475 -132.10269 3.65205 1.89098 -132.28433 498.07762
|
|
1860.0000 -135.79247 -131.39741 4.39506 1.91792 -131.89937 519.82123
|
|
1865.0000 -135.90613 -132.42980 3.47633 1.89790 -132.18547 508.00939
|
|
1870.0000 -135.01916 -131.19854 3.82061 1.93293 -131.68502 540.36327
|
|
1875.0000 -135.86821 -132.55858 3.30963 1.89960 -132.16113 503.33049
|
|
1880.0000 -135.63054 -131.52641 4.10413 1.91103 -131.99791 518.97295
|
|
1885.0000 -135.81405 -131.76840 4.04566 1.92653 -131.77642 530.91790
|
|
1890.0000 -135.34447 -132.24878 3.09569 1.90945 -132.02045 516.75376
|
|
1895.0000 -135.97423 -132.71344 3.26078 1.86386 -132.67183 470.18431
|
|
1900.0000 -135.33078 -131.36711 3.96367 1.90450 -132.09113 510.40965
|
|
1905.0000 -135.39517 -132.13645 3.25872 1.92639 -131.77846 524.96944
|
|
1910.0000 -135.82782 -131.55230 4.27552 1.90548 -132.07713 514.75047
|
|
1915.0000 -135.59433 -132.14947 3.44485 1.89506 -132.22598 497.51825
|
|
1920.0000 -135.61603 -132.22686 3.38917 1.92290 -131.82825 532.54036
|
|
1925.0000 -135.96824 -132.70056 3.26768 1.89341 -132.24957 496.48353
|
|
1930.0000 -135.85226 -132.23110 3.62116 1.87768 -132.47434 481.14514
|
|
1935.0000 -135.25150 -131.60701 3.64450 1.90708 -132.05426 511.36364
|
|
1940.0000 -136.67185 -133.26249 3.40937 1.90923 -132.02351 509.65710
|
|
1945.0000 -136.46070 -132.27807 4.18262 1.89711 -132.19676 505.96347
|
|
1950.0000 -135.01824 -130.83677 4.18147 1.91480 -131.94407 515.15134
|
|
1955.0000 -135.31103 -132.09118 3.21985 1.95519 -131.36697 542.07163
|
|
1960.0000 -135.63375 -132.25390 3.37985 1.88279 -132.40135 490.24480
|
|
1965.0000 -136.08063 -132.34528 3.73535 1.89263 -132.26068 491.79340
|
|
1970.0000 -135.52239 -132.18792 3.33447 1.87285 -132.54337 485.88130
|
|
1975.0000 -135.68917 -132.19617 3.49300 1.90683 -132.05792 509.97844
|
|
1980.0000 -136.46107 -131.77880 4.68228 1.93592 -131.64229 541.83579
|
|
1985.0000 -135.79891 -132.49670 3.30220 1.88563 -132.36074 493.46543
|
|
1990.0000 -135.86388 -132.70804 3.15584 1.87580 -132.50113 482.58127
|
|
1995.0000 -135.28419 -131.89441 3.38978 1.89293 -132.25648 493.71577
|
|
2000.0000 -135.04042 -131.21976 3.82066 1.95271 -131.40239 553.63639
|
|
MELTING PROCESS: loop number 9 T-loop= 540.00000000000000
|
|
main_MD> interactions number 9 at Temperature= 540.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.10226 3.18359 -5.75711
|
|
force_rgl> df(natom) 0.76970 0.19700 -2.40458
|
|
2005.0000 -135.32949 -131.85480 3.47470 1.94175 -131.55894 540.60562
|
|
2010.0000 -136.11084 -132.15351 3.95733 1.90935 -132.02183 519.26917
|
|
2015.0000 -134.86407 -131.90230 2.96178 1.95813 -131.32496 546.56578
|
|
2020.0000 -135.58904 -131.98268 3.60636 1.91294 -131.97061 517.71074
|
|
2025.0000 -136.00342 -131.95973 4.04369 1.92169 -131.84561 533.07137
|
|
2030.0000 -134.71539 -131.15618 3.55920 1.93488 -131.65706 518.46829
|
|
2035.0000 -134.75216 -130.96335 3.78881 1.98487 -130.94291 578.28045
|
|
2040.0000 -135.23951 -131.31835 3.92117 1.91953 -131.87649 518.58129
|
|
2045.0000 -134.63246 -131.39797 3.23449 1.95485 -131.37178 543.17540
|
|
2050.0000 -135.59876 -131.84513 3.75363 1.94574 -131.50195 540.84916
|
|
2055.0000 -134.99668 -130.82157 4.17512 1.92917 -131.73868 538.80968
|
|
2060.0000 -135.76171 -131.85560 3.90611 1.97447 -131.09151 569.73677
|
|
2065.0000 -134.60032 -130.87794 3.72238 1.95559 -131.36130 555.27396
|
|
2070.0000 -135.45216 -132.36903 3.08313 1.93266 -131.68882 531.10917
|
|
2075.0000 -135.17315 -131.17262 4.00053 1.92733 -131.76505 520.07272
|
|
2080.0000 -133.99603 -130.28868 3.70736 2.02112 -130.42500 604.30957
|
|
2085.0000 -135.67984 -131.62013 4.05971 1.98903 -130.88353 578.49091
|
|
2090.0000 -134.65558 -131.44314 3.21244 1.95299 -131.39836 550.58063
|
|
2095.0000 -135.57516 -131.68567 3.88949 1.95839 -131.32124 556.35286
|
|
2100.0000 -134.88722 -130.83914 4.04808 1.94650 -131.49105 547.44308
|
|
2105.0000 -134.48175 -130.74361 3.73814 1.99444 -130.80615 590.28242
|
|
2110.0000 -135.49086 -131.22201 4.26886 1.98117 -130.99581 575.29474
|
|
2115.0000 -135.52429 -131.51926 4.00503 1.98394 -130.95618 580.56440
|
|
2120.0000 -134.87180 -131.55046 3.32133 1.93132 -131.70795 532.34902
|
|
2125.0000 -135.69525 -132.21823 3.47702 1.92396 -131.81309 540.74999
|
|
2130.0000 -135.82429 -131.72331 4.10098 1.97762 -131.04653 567.71904
|
|
2135.0000 -134.58303 -130.82974 3.75329 1.94806 -131.46878 550.95250
|
|
2140.0000 -134.74818 -131.66827 3.07991 1.95511 -131.36816 553.35959
|
|
2145.0000 -134.92993 -130.52254 4.40739 1.95655 -131.34760 551.21547
|
|
2150.0000 -135.66477 -131.79662 3.86814 1.96644 -131.20617 560.94393
|
|
2155.0000 -135.48198 -131.46458 4.01740 1.94929 -131.45127 551.95684
|
|
2160.0000 -135.48926 -131.98358 3.50568 1.93241 -131.69243 527.86139
|
|
2165.0000 -135.79110 -131.85920 3.93189 1.92346 -131.82032 524.62125
|
|
2170.0000 -135.24783 -131.63765 3.61019 1.94995 -131.44176 557.21108
|
|
2175.0000 -135.31995 -131.85125 3.46870 1.92955 -131.73321 526.77430
|
|
2180.0000 -134.75168 -131.07428 3.67740 1.94893 -131.45639 546.68163
|
|
2185.0000 -135.13695 -131.84433 3.29262 1.94593 -131.49926 542.56198
|
|
2190.0000 -135.59448 -131.96355 3.63094 1.89108 -132.28289 492.72056
|
|
2195.0000 -135.62436 -132.88984 2.73452 1.89779 -132.18698 496.85267
|
|
2200.0000 -134.99057 -131.45039 3.54018 1.90348 -132.10578 507.40026
|
|
2205.0000 -135.59717 -131.24035 4.35682 1.94071 -131.57383 536.70948
|
|
2210.0000 -135.63784 -131.67837 3.95947 1.95025 -131.43753 547.89380
|
|
2215.0000 -135.47585 -131.42310 4.05275 1.92884 -131.74346 530.53954
|
|
2220.0000 -134.88300 -131.20831 3.67469 1.97204 -131.12619 570.64788
|
|
2225.0000 -135.42557 -131.25798 4.16759 1.99103 -130.85499 581.02416
|
|
2230.0000 -134.29919 -130.57831 3.72088 1.98275 -130.97318 579.41159
|
|
2235.0000 -135.41521 -131.50247 3.91275 1.98233 -130.97917 574.83603
|
|
2240.0000 -135.26343 -132.02190 3.24153 1.91620 -131.92398 515.50283
|
|
2245.0000 -136.14446 -132.19742 3.94703 1.90213 -132.12496 504.84593
|
|
2250.0000 -135.14276 -131.36566 3.77710 1.94875 -131.45900 553.35670
|
|
MELTING PROCESS: loop number 10 T-loop= 565.00000000000000
|
|
main_MD> interactions number 10 at Temperature= 565.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.86582 0.36627 -0.89044
|
|
force_rgl> df(natom) 0.44343 2.86269 0.29567
|
|
2255.0000 -135.46312 -131.50785 3.95527 1.94521 -131.50954 546.16610
|
|
2260.0000 -135.42928 -132.37262 3.05666 1.93429 -131.66558 527.39346
|
|
2265.0000 -136.00330 -132.44178 3.56152 1.88308 -132.39720 487.50660
|
|
2270.0000 -135.19092 -131.27856 3.91237 1.93580 -131.64395 530.29559
|
|
2275.0000 -136.20505 -132.08836 4.11669 1.93835 -131.60752 541.49673
|
|
2280.0000 -135.73843 -131.54754 4.19090 1.94136 -131.56456 534.81409
|
|
2285.0000 -134.35061 -130.74853 3.60209 1.98230 -130.97964 571.46890
|
|
2290.0000 -134.35061 -130.03599 4.31462 2.02358 -130.38996 573.01331
|
|
2295.0000 -134.90530 -131.08224 3.82306 2.00364 -130.67476 554.47799
|
|
2300.0000 -134.02660 -131.15096 2.87564 2.01675 -130.48745 564.20860
|
|
2305.0000 -135.31389 -131.27534 4.03854 1.96882 -131.17217 529.51952
|
|
2310.0000 -134.53285 -130.97606 3.55680 1.98502 -130.94078 542.46393
|
|
2315.0000 -134.29758 -130.65057 3.64700 1.98879 -130.88696 541.79088
|
|
2320.0000 -135.46309 -131.09778 4.36531 1.98666 -130.91735 527.11708
|
|
2325.0000 -134.62997 -130.87725 3.75272 1.98485 -130.94317 545.07403
|
|
2330.0000 -134.54242 -130.73549 3.80693 2.00378 -130.67278 549.88483
|
|
2335.0000 -134.15452 -130.17331 3.98122 2.02355 -130.39035 575.54721
|
|
2340.0000 -134.05102 -130.45306 3.59796 2.05315 -129.96740 600.27402
|
|
2345.0000 -134.44010 -130.80773 3.63237 2.01315 -130.53891 569.60181
|
|
2350.0000 -133.53866 -129.23644 4.30223 2.05032 -130.00792 588.45921
|
|
2355.0000 -134.83378 -131.00039 3.83339 2.03237 -130.26425 568.64040
|
|
2360.0000 -134.62854 -131.42570 3.20284 1.94625 -131.49462 505.05665
|
|
2365.0000 -134.80081 -131.11616 3.68465 1.94799 -131.46984 505.63169
|
|
2370.0000 -133.22097 -129.62006 3.60092 2.01668 -130.48846 538.35033
|
|
2375.0000 -132.97465 -129.13304 3.84161 2.09153 -129.41913 558.31529
|
|
2380.0000 -133.71780 -129.83926 3.87854 2.08263 -129.54622 551.16470
|
|
2385.0000 -133.94614 -130.35117 3.59497 2.02630 -130.35108 500.14228
|
|
2390.0000 -133.19721 -129.88293 3.31428 2.07216 -129.69591 543.68473
|
|
2395.0000 -133.45628 -128.94735 4.50893 2.06170 -129.84534 527.75615
|
|
2400.0000 -133.55286 -129.65767 3.89519 2.10664 -129.20325 569.71608
|
|
2405.0000 -133.35636 -128.98298 4.37338 2.05492 -129.94217 557.83847
|
|
2410.0000 -133.43858 -129.24932 4.18926 2.08965 -129.44603 572.88616
|
|
2415.0000 -132.54452 -128.66139 3.88313 2.09696 -129.34149 575.42042
|
|
2420.0000 -133.27017 -129.48069 3.78949 2.08801 -129.46935 567.36564
|
|
2425.0000 -133.69993 -129.43921 4.26072 2.09033 -129.43623 556.01594
|
|
2430.0000 -134.07377 -129.89250 4.18127 2.10528 -129.22274 558.33291
|
|
2435.0000 -133.42382 -129.07901 4.34482 2.07251 -129.69089 524.50707
|
|
2440.0000 -133.26691 -129.71361 3.55330 2.10199 -129.26965 570.02383
|
|
2445.0000 -133.56767 -128.62798 4.93969 2.10447 -129.23427 572.43656
|
|
2450.0000 -133.13166 -128.46968 4.66198 2.11673 -129.05907 586.93431
|
|
2455.0000 -132.47494 -128.78613 3.68881 2.13260 -128.83235 596.82504
|
|
2460.0000 -133.57673 -129.39015 4.18658 2.13256 -128.83298 604.32674
|
|
2465.0000 -133.85021 -129.65248 4.19773 2.10876 -129.17299 595.26017
|
|
2470.0000 -133.23700 -129.48698 3.75002 2.04656 -130.06165 531.12571
|
|
2475.0000 -133.38620 -128.77385 4.61234 2.07588 -129.64277 538.84691
|
|
2480.0000 -131.74804 -128.12056 3.62748 2.15983 -128.44340 636.35057
|
|
2485.0000 -131.79434 -128.09530 3.69903 2.19795 -127.89868 645.29398
|
|
2490.0000 -133.21335 -129.19535 4.01800 2.13973 -128.73053 579.39619
|
|
2495.0000 -132.20790 -128.97063 3.23727 2.12228 -128.97976 569.59096
|
|
2500.0000 -133.07368 -129.58858 3.48510 2.11696 -129.05587 569.62318
|
|
MELTING PROCESS: loop number 11 T-loop= 590.00000000000000
|
|
main_MD> interactions number 11 at Temperature= 590.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.67622 0.51463 0.62368
|
|
force_rgl> df(natom) -0.16661 1.45605 2.22411
|
|
2505.0000 -132.60383 -129.07350 3.53033 2.09520 -129.36664 554.66960
|
|
2510.0000 -132.15003 -128.39205 3.75798 2.15446 -128.52001 606.10686
|
|
2515.0000 -133.78366 -129.78649 3.99717 2.08224 -129.55186 540.92936
|
|
2520.0000 -132.30853 -128.74803 3.56050 2.09890 -129.31385 549.10093
|
|
2525.0000 -134.07664 -130.24148 3.83516 2.10262 -129.26073 545.41630
|
|
2530.0000 -134.43740 -130.74048 3.69692 2.03146 -130.27738 521.53460
|
|
2535.0000 -134.05208 -128.94721 5.10487 2.07665 -129.63172 567.04511
|
|
2540.0000 -133.48234 -129.91161 3.57072 2.06830 -129.75096 541.78384
|
|
2545.0000 -132.52265 -129.24723 3.27542 2.12279 -128.97250 579.27812
|
|
2550.0000 -132.93323 -128.32911 4.60413 2.11957 -129.01854 594.38210
|
|
2555.0000 -132.46640 -127.97820 4.48820 2.16602 -128.35486 615.01608
|
|
2560.0000 -133.19786 -129.44371 3.75414 2.14656 -128.63297 622.76127
|
|
2565.0000 -133.55122 -130.00276 3.54847 2.08101 -129.56938 564.98939
|
|
2570.0000 -133.25848 -129.27983 3.97866 2.07993 -129.58484 545.66179
|
|
2575.0000 -132.69603 -128.86214 3.83389 2.11617 -129.06706 571.83261
|
|
2580.0000 -132.49847 -127.77929 4.71918 2.19294 -127.97029 605.39867
|
|
2585.0000 -132.31335 -127.68310 4.63025 2.20711 -127.76786 637.23093
|
|
2590.0000 -132.96225 -128.95241 4.00984 2.12562 -128.93213 567.66839
|
|
2595.0000 -133.27876 -129.49196 3.78680 2.11660 -129.06103 548.79156
|
|
2600.0000 -132.59662 -128.55627 4.04035 2.14966 -128.58865 602.56956
|
|
2605.0000 -132.93601 -128.60536 4.33065 2.13008 -128.86843 607.94124
|
|
2610.0000 -133.44255 -129.68479 3.75776 2.12331 -128.96511 590.81372
|
|
2615.0000 -133.03945 -129.18599 3.85346 2.10355 -129.24745 579.31469
|
|
2620.0000 -133.52898 -129.02331 4.50567 2.13025 -128.86600 602.92454
|
|
2625.0000 -133.87830 -129.59359 4.28471 2.07348 -129.67700 545.48676
|
|
2630.0000 -133.18265 -129.91321 3.26943 2.07174 -129.70189 536.02259
|
|
2635.0000 -132.95717 -129.60173 3.35544 2.07989 -129.58535 550.29033
|
|
2640.0000 -132.08903 -127.66434 4.42469 2.12894 -128.88473 593.80016
|
|
2645.0000 -132.40410 -128.58079 3.82331 2.18827 -128.03704 608.43231
|
|
2650.0000 -133.17636 -128.24312 4.93325 2.13313 -128.82486 590.24238
|
|
2655.0000 -133.21000 -128.13048 5.07951 2.17136 -128.27857 621.06320
|
|
2660.0000 -132.27592 -127.00895 5.26696 2.23338 -127.39256 653.54976
|
|
2665.0000 -132.55371 -128.67393 3.87977 2.15111 -128.56799 593.14537
|
|
2670.0000 -133.23289 -128.91837 4.31452 2.11454 -129.09037 579.91403
|
|
2675.0000 -132.24812 -128.16097 4.08716 2.14960 -128.58949 587.89825
|
|
2680.0000 -132.71469 -128.27658 4.43812 2.13632 -128.77920 591.38179
|
|
2685.0000 -132.42501 -128.72985 3.69516 2.16482 -128.37211 593.40246
|
|
2690.0000 -132.91028 -128.31408 4.59620 2.16161 -128.41797 564.90017
|
|
2695.0000 -133.58349 -128.75241 4.83107 2.17583 -128.21481 607.98182
|
|
2700.0000 -133.02793 -128.54022 4.48771 2.18082 -128.14347 609.87681
|
|
2705.0000 -132.95635 -128.09860 4.85775 2.14374 -128.67324 586.07864
|
|
2710.0000 -132.60853 -128.65708 3.95146 2.14883 -128.60049 593.08856
|
|
2715.0000 -132.89923 -127.58528 5.31395 2.18068 -128.14548 619.21980
|
|
2720.0000 -132.31629 -128.16544 4.15085 2.17836 -128.17861 625.16429
|
|
2725.0000 -133.19198 -129.93479 3.25719 2.13475 -128.80169 599.14189
|
|
2730.0000 -133.84456 -129.72522 4.11934 2.07746 -129.62016 533.06836
|
|
2735.0000 -132.76801 -128.36938 4.39863 2.09786 -129.32871 547.26127
|
|
2740.0000 -132.65809 -128.32088 4.33722 2.16775 -128.33024 611.42741
|
|
2745.0000 -131.79874 -126.87125 4.92749 2.18693 -128.05612 614.31341
|
|
2750.0000 -132.79836 -127.98531 4.81304 2.23811 -127.32501 636.72883
|
|
MELTING PROCESS: loop number 12 T-loop= 615.00000000000000
|
|
main_MD> interactions number 12 at Temperature= 615.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.49331 3.29845 2.65527
|
|
force_rgl> df(natom) 2.90034 -1.57714 3.42938
|
|
2755.0000 -131.77918 -127.40935 4.36983 2.22867 -127.45979 624.81067
|
|
2760.0000 -132.70441 -128.67894 4.02547 2.18333 -128.10758 608.10688
|
|
2765.0000 -133.21880 -128.32220 4.89661 2.15122 -128.56636 602.74273
|
|
2770.0000 -133.14860 -129.15451 3.99410 2.09909 -129.31111 584.93074
|
|
2775.0000 -132.24148 -127.43907 4.80241 2.17913 -128.16756 633.44589
|
|
2780.0000 -132.04386 -127.75526 4.28860 2.19817 -127.89560 638.07647
|
|
2785.0000 -132.35428 -126.96973 5.38455 2.20314 -127.82459 646.23888
|
|
2790.0000 -131.00861 -126.56093 4.44767 2.26403 -126.95476 673.31274
|
|
2795.0000 -131.78254 -126.12950 5.65304 2.27509 -126.79662 676.43283
|
|
2800.0000 -131.55754 -127.26298 4.29456 2.28562 -126.64623 703.51031
|
|
2805.0000 -132.49526 -127.91678 4.57848 2.21160 -127.70374 649.77605
|
|
2810.0000 -134.06662 -129.12102 4.94560 2.20094 -127.85607 649.26986
|
|
2815.0000 -132.53337 -128.50196 4.03140 2.14337 -128.67849 583.84760
|
|
2820.0000 -132.64327 -127.73023 4.91304 2.17761 -128.18930 620.18649
|
|
2825.0000 -132.30199 -127.55339 4.74860 2.21064 -127.71743 645.28729
|
|
2830.0000 -132.47714 -127.50833 4.96881 2.21013 -127.72474 648.72813
|
|
2835.0000 -132.57101 -128.77616 3.79485 2.20186 -127.84282 644.87153
|
|
2840.0000 -132.84740 -128.53689 4.31051 2.11881 -129.02943 549.53673
|
|
2845.0000 -132.15333 -128.62716 3.52617 2.17069 -128.28819 614.24689
|
|
2850.0000 -133.13209 -128.01581 5.11628 2.18244 -128.12030 611.49822
|
|
2855.0000 -132.96759 -128.81114 4.15645 2.12487 -128.94279 572.27158
|
|
2860.0000 -132.77497 -128.67758 4.09739 2.17520 -128.22377 634.06242
|
|
2865.0000 -131.93200 -127.92165 4.01035 2.18796 -128.04149 628.46472
|
|
2870.0000 -132.79196 -128.14941 4.64255 2.20830 -127.75093 638.16064
|
|
2875.0000 -132.88733 -128.26329 4.62403 2.17028 -128.29408 606.41595
|
|
2880.0000 -133.01221 -129.10292 3.90929 2.11783 -129.04339 581.78877
|
|
2885.0000 -132.79254 -128.97585 3.81669 2.10477 -129.23003 568.53339
|
|
2890.0000 -132.52346 -128.21774 4.30572 2.16972 -128.30200 628.44976
|
|
2895.0000 -131.62412 -127.73731 3.88681 2.17798 -128.18411 619.33702
|
|
2900.0000 -132.52458 -127.92191 4.60268 2.19345 -127.96298 645.22372
|
|
2905.0000 -132.95864 -128.23683 4.72180 2.16475 -128.37300 598.85095
|
|
2910.0000 -131.17387 -127.24896 3.92491 2.23630 -127.35086 656.24226
|
|
2915.0000 -132.03531 -128.66130 3.37402 2.21397 -127.66990 651.01739
|
|
2920.0000 -133.29561 -128.73100 4.56460 2.13896 -128.74148 598.04375
|
|
2925.0000 -132.92112 -129.08971 3.83141 2.11724 -129.05186 597.95696
|
|
2930.0000 -132.89102 -128.19030 4.70072 2.14056 -128.71866 595.14684
|
|
2935.0000 -132.59846 -128.83025 3.76821 2.14060 -128.71812 588.11696
|
|
2940.0000 -133.55891 -129.51975 4.03916 2.09764 -129.33190 575.83112
|
|
2945.0000 -132.09422 -127.87489 4.21933 2.15399 -128.52675 589.00924
|
|
2950.0000 -133.44271 -129.29110 4.15161 2.15797 -128.46990 609.70560
|
|
2955.0000 -133.37258 -129.53622 3.83636 2.08292 -129.54211 535.30221
|
|
2960.0000 -131.43836 -127.58408 3.85429 2.14559 -128.64683 603.65846
|
|
2965.0000 -133.14643 -128.01305 5.13337 2.20610 -127.78231 676.54328
|
|
2970.0000 -132.52809 -128.88717 3.64091 2.15756 -128.47571 608.05578
|
|
2975.0000 -132.34917 -128.39555 3.95361 2.16591 -128.35650 587.40800
|
|
2980.0000 -132.63075 -128.67489 3.95586 2.16538 -128.36409 618.42004
|
|
2985.0000 -133.44752 -128.33551 5.11201 2.18125 -128.13731 660.93386
|
|
2990.0000 -133.00910 -127.91654 5.09256 2.20486 -127.80006 654.21764
|
|
2995.0000 -132.97380 -128.38233 4.59148 2.17593 -128.21327 631.95611
|
|
3000.0000 -132.77008 -128.43262 4.33746 2.13819 -128.75245 617.48043
|
|
MELTING PROCESS: loop number 13 T-loop= 640.00000000000000
|
|
main_MD> interactions number 13 at Temperature= 640.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 4.05529 1.33445 -4.01753
|
|
force_rgl> df(natom) -6.04830 1.67416 -0.39267
|
|
3005.0000 -133.14426 -128.70849 4.43576 2.15832 -128.46486 630.61071
|
|
3010.0000 -133.43895 -129.11809 4.32085 2.13863 -128.74623 599.96103
|
|
3015.0000 -132.94852 -128.08903 4.85948 2.19994 -127.87033 655.82587
|
|
3020.0000 -132.89042 -128.36122 4.52921 2.19227 -127.97986 662.43612
|
|
3025.0000 -133.06329 -128.85826 4.20503 2.13634 -128.77888 605.02041
|
|
3030.0000 -132.95074 -128.83617 4.11458 2.12454 -128.94750 575.29025
|
|
3035.0000 -133.56810 -129.70712 3.86098 2.14203 -128.69758 603.66576
|
|
3040.0000 -133.21868 -129.77567 3.44300 2.01556 -130.50454 508.25203
|
|
3045.0000 -132.96882 -128.74896 4.21986 2.06462 -129.80353 517.00481
|
|
3050.0000 -132.60537 -127.97088 4.63449 2.18095 -128.14162 633.57274
|
|
3055.0000 -133.31974 -129.38772 3.93202 2.14163 -128.70344 614.77145
|
|
3060.0000 -132.90756 -128.87069 4.03686 2.07695 -129.62740 568.45187
|
|
3065.0000 -132.07355 -128.59769 3.47586 2.15012 -128.58212 608.94334
|
|
3070.0000 -131.49651 -126.84547 4.65104 2.18371 -128.10212 640.88912
|
|
3075.0000 -132.38544 -127.05343 5.33201 2.25052 -127.14769 691.97120
|
|
3080.0000 -132.90116 -128.14509 4.75607 2.24675 -127.20158 690.57255
|
|
3085.0000 -132.59030 -127.24636 5.34394 2.21430 -127.66511 647.73241
|
|
3090.0000 -133.35178 -128.69800 4.65378 2.22068 -127.57403 651.85795
|
|
3095.0000 -133.25143 -128.51904 4.73239 2.16063 -128.43199 619.28886
|
|
3100.0000 -132.79329 -128.40777 4.38552 2.14686 -128.62865 599.66612
|
|
3105.0000 -133.34375 -128.64626 4.69749 2.13598 -128.78410 624.97052
|
|
3110.0000 -133.01326 -128.31178 4.70148 2.16318 -128.39552 621.88861
|
|
3115.0000 -133.72073 -129.59989 4.12084 2.08782 -129.47206 557.60694
|
|
3120.0000 -133.70017 -129.63817 4.06201 2.11500 -129.08378 626.37072
|
|
3125.0000 -133.37299 -129.32170 4.05130 2.04146 -130.13449 584.89108
|
|
3130.0000 -132.56896 -127.22709 5.34187 2.19337 -127.96421 747.06850
|
|
3135.0000 -132.16698 -126.79695 5.37004 2.26820 -126.89506 733.33757
|
|
3140.0000 -131.65164 -126.93638 4.71526 2.28458 -126.66113 717.32518
|
|
3145.0000 -132.23529 -128.21792 4.01736 2.22386 -127.52864 635.57826
|
|
3150.0000 -132.43411 -127.91987 4.51424 2.21358 -127.67549 648.67655
|
|
3155.0000 -130.94561 -127.38754 3.55807 2.24249 -127.26241 626.28725
|
|
3160.0000 -132.26861 -127.36173 4.90688 2.27595 -126.78437 684.09471
|
|
3165.0000 -131.16150 -126.60931 4.55219 2.25171 -127.13068 672.01654
|
|
3170.0000 -132.83486 -127.42763 5.40723 2.27182 -126.84341 695.53136
|
|
3175.0000 -132.03072 -127.53102 4.49970 2.24923 -127.16620 679.87073
|
|
3180.0000 -132.45817 -127.25602 5.20214 2.23586 -127.35714 651.34781
|
|
3185.0000 -133.07539 -128.76678 4.30861 2.20005 -127.86873 636.85078
|
|
3190.0000 -133.40065 -128.48784 4.91281 2.12651 -128.91932 591.76036
|
|
3195.0000 -131.98206 -127.52415 4.45791 2.19835 -127.89307 624.21084
|
|
3200.0000 -131.87979 -127.72415 4.15564 2.21679 -127.62956 648.94930
|
|
3205.0000 -132.42316 -126.96016 5.46300 2.20026 -127.86575 638.48810
|
|
3210.0000 -132.38443 -127.32330 5.06113 2.23044 -127.43463 674.81948
|
|
3215.0000 -132.23699 -127.14485 5.09214 2.26706 -126.91135 711.31797
|
|
3220.0000 -131.93812 -127.26790 4.67022 2.21905 -127.59730 668.75550
|
|
3225.0000 -133.37850 -128.85116 4.52733 2.15015 -128.58167 616.22660
|
|
3230.0000 -133.12260 -128.65919 4.46341 2.11891 -129.02801 605.12438
|
|
3235.0000 -132.68802 -128.73454 3.95348 2.12149 -128.99116 611.29461
|
|
3240.0000 -131.77119 -127.67163 4.09956 2.14764 -128.61747 615.80658
|
|
3245.0000 -133.61945 -128.68092 4.93853 2.15597 -128.49850 630.60850
|
|
3250.0000 -133.22949 -128.98524 4.24426 2.12645 -128.92026 621.92144
|
|
MELTING PROCESS: loop number 14 T-loop= 665.00000000000000
|
|
main_MD> interactions number 14 at Temperature= 665.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.41694 1.23261 -1.92924
|
|
force_rgl> df(natom) -3.70406 3.07782 0.68762
|
|
3255.0000 -133.36041 -129.04870 4.31171 2.11375 -129.10175 627.03502
|
|
3260.0000 -133.98640 -128.70160 5.28479 2.16179 -128.41534 698.12946
|
|
3265.0000 -134.00538 -129.70287 4.30251 2.09328 -129.39409 628.61834
|
|
3270.0000 -133.73363 -129.96527 3.76836 2.08083 -129.57204 623.47172
|
|
3275.0000 -133.27491 -128.10120 5.17370 2.08135 -129.56455 626.42399
|
|
3280.0000 -134.20680 -129.33650 4.87029 2.17984 -128.15753 671.80996
|
|
3285.0000 -133.71652 -128.92780 4.78871 2.11290 -129.11383 620.00870
|
|
3290.0000 -134.69633 -130.73736 3.95897 2.08347 -129.53422 660.18932
|
|
3295.0000 -134.03133 -129.30959 4.72174 2.05736 -129.90728 643.52264
|
|
3300.0000 -134.98369 -130.24584 4.73785 2.06809 -129.75395 647.30697
|
|
3305.0000 -135.45297 -130.01112 5.44185 2.00306 -130.68312 605.91753
|
|
3310.0000 -133.46886 -128.41240 5.05647 2.11219 -129.12394 684.27025
|
|
3315.0000 -133.81499 -128.87714 4.93785 2.11782 -129.04349 698.05695
|
|
3320.0000 -133.35971 -129.16921 4.19050 2.13049 -128.86253 636.71587
|
|
3325.0000 -134.38347 -128.57255 5.81092 2.12676 -128.91578 620.82062
|
|
3330.0000 -133.89751 -129.10179 4.79571 2.13539 -128.79257 656.29895
|
|
3335.0000 -132.51452 -128.22344 4.29108 2.18159 -128.13245 666.21494
|
|
3340.0000 -133.62740 -128.80315 4.82425 2.14657 -128.63272 631.63908
|
|
3345.0000 -133.12657 -128.77980 4.34678 2.12851 -128.89085 579.16749
|
|
3350.0000 -133.24846 -129.68756 3.56090 2.09802 -129.32647 574.14013
|
|
3355.0000 -132.69922 -128.05828 4.64094 2.11515 -129.08165 592.54846
|
|
3360.0000 -132.54415 -128.34847 4.19568 2.14117 -128.70988 607.82492
|
|
3365.0000 -131.53999 -126.27783 5.26215 2.20877 -127.74422 662.27950
|
|
3370.0000 -133.17092 -129.57694 3.59398 2.23432 -127.37910 681.59488
|
|
3375.0000 -133.35407 -129.12007 4.23400 2.08974 -129.44473 551.50786
|
|
3380.0000 -132.38236 -127.75281 4.62955 2.18059 -128.14682 636.71649
|
|
3385.0000 -132.24987 -127.80336 4.44652 2.17806 -128.18292 629.55838
|
|
3390.0000 -131.44090 -127.04603 4.39487 2.19326 -127.96568 632.64795
|
|
3395.0000 -131.27501 -126.49439 4.78062 2.28555 -126.64724 699.38501
|
|
3400.0000 -130.31665 -125.68687 4.62978 2.32220 -126.12364 734.29822
|
|
3405.0000 -131.00485 -126.27024 4.73461 2.34094 -125.85595 724.22323
|
|
3410.0000 -131.80120 -126.93510 4.86610 2.25242 -127.12055 670.53770
|
|
3415.0000 -132.51611 -128.47532 4.04078 2.21211 -127.69642 653.85930
|
|
3420.0000 -133.62464 -128.88786 4.73677 2.14571 -128.64510 600.86562
|
|
3425.0000 -133.51436 -128.91162 4.60274 2.10972 -129.15926 588.82513
|
|
3430.0000 -132.52719 -128.25929 4.26790 2.17727 -128.19420 646.02240
|
|
3435.0000 -132.54227 -127.98703 4.55524 2.19186 -127.98577 636.39528
|
|
3440.0000 -132.54198 -128.54847 3.99351 2.13319 -128.82394 551.70492
|
|
3445.0000 -133.10442 -128.64990 4.45452 2.15411 -128.52513 601.72730
|
|
3450.0000 -131.58881 -126.49999 5.08881 2.19737 -127.90705 620.79955
|
|
3455.0000 -130.41113 -125.56647 4.84466 2.37553 -125.36170 754.85747
|
|
3460.0000 -131.44680 -126.00987 5.43693 2.37515 -125.36718 771.56331
|
|
3465.0000 -132.25509 -125.49745 6.75764 2.31117 -126.28115 737.46564
|
|
3470.0000 -131.00841 -125.96498 5.04343 2.34947 -125.73409 742.30716
|
|
3475.0000 -131.82105 -127.53839 4.28266 2.28780 -126.61516 687.15720
|
|
3480.0000 -131.95117 -127.54340 4.40777 2.23440 -127.37799 658.52604
|
|
3485.0000 -133.09228 -127.57362 5.51866 2.23374 -127.38744 675.69175
|
|
3490.0000 -131.60930 -127.25985 4.34945 2.25894 -127.02736 694.50485
|
|
3495.0000 -132.52272 -128.91639 3.60633 2.17096 -128.28427 646.28493
|
|
3500.0000 -133.13885 -129.28274 3.85611 2.14820 -128.60945 600.62752
|
|
MELTING PROCESS: loop number 15 T-loop= 690.00000000000000
|
|
main_MD> interactions number 15 at Temperature= 690.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.05647 -1.24288 0.11822
|
|
force_rgl> df(natom) 0.99159 -2.92694 -0.31041
|
|
3505.0000 -131.88360 -127.28434 4.59927 2.17223 -128.26623 627.63950
|
|
3510.0000 -131.89794 -128.07007 3.82787 2.20266 -127.83150 635.28097
|
|
3515.0000 -130.86029 -126.41163 4.44866 2.25589 -127.07095 678.54228
|
|
3520.0000 -131.57197 -127.27786 4.29411 2.26625 -126.92304 708.54476
|
|
3525.0000 -131.98497 -127.46280 4.52217 2.24788 -127.18538 645.94613
|
|
3530.0000 -132.05940 -126.66170 5.39770 2.26000 -127.01229 650.12474
|
|
3535.0000 -131.58900 -127.64446 3.94454 2.21733 -127.62188 642.98625
|
|
3540.0000 -132.55423 -127.83876 4.71546 2.20686 -127.77147 648.34439
|
|
3545.0000 -132.05194 -126.70686 5.34508 2.26235 -126.97870 681.09230
|
|
3550.0000 -131.52461 -126.86287 4.66174 2.28800 -126.61224 693.27310
|
|
3555.0000 -130.98225 -126.46862 4.51363 2.28623 -126.63752 692.26054
|
|
3560.0000 -131.76450 -126.71348 5.05102 2.26692 -126.91334 708.37865
|
|
3565.0000 -131.73085 -126.84752 4.88333 2.25042 -127.14915 660.88999
|
|
3570.0000 -132.10437 -128.10390 4.00047 2.26024 -127.00889 700.36249
|
|
3575.0000 -132.23409 -127.86867 4.36542 2.21012 -127.72481 665.42395
|
|
3580.0000 -132.54755 -127.36395 5.18360 2.21901 -127.59790 644.80567
|
|
3585.0000 -131.76886 -126.51100 5.25786 2.20506 -127.79721 637.50431
|
|
3590.0000 -130.26828 -125.89104 4.37724 2.29739 -126.47805 705.62171
|
|
3595.0000 -132.37228 -126.64302 5.72926 2.31142 -126.27767 737.98156
|
|
3600.0000 -131.33434 -126.86642 4.46791 2.31162 -126.27474 749.68936
|
|
3605.0000 -130.84272 -125.68268 5.16004 2.31531 -126.22201 729.11208
|
|
3610.0000 -131.14046 -126.49147 4.64899 2.32835 -126.03571 725.77589
|
|
3615.0000 -131.03535 -126.39613 4.63921 2.29997 -126.44116 721.46323
|
|
3620.0000 -132.73022 -127.34250 5.38772 2.20760 -127.76086 637.72149
|
|
3625.0000 -132.09680 -127.44988 4.64693 2.22974 -127.44451 679.62940
|
|
3630.0000 -130.82660 -126.33866 4.48794 2.26965 -126.87435 704.19604
|
|
3635.0000 -130.89702 -125.90866 4.98836 2.36158 -125.56108 789.16027
|
|
3640.0000 -131.23828 -126.20784 5.03044 2.30728 -126.33675 710.96615
|
|
3645.0000 -131.77391 -126.43025 5.34366 2.29112 -126.56772 716.71279
|
|
3650.0000 -131.44745 -126.98228 4.46517 2.26992 -126.87060 700.51399
|
|
3655.0000 -130.90617 -126.05499 4.85117 2.28338 -126.67831 710.98101
|
|
3660.0000 -131.61582 -125.97730 5.63853 2.34588 -125.78537 750.23010
|
|
3665.0000 -131.55161 -126.54283 5.00878 2.34707 -125.76829 731.66470
|
|
3670.0000 -131.63074 -127.45341 4.17733 2.24085 -127.28579 667.72838
|
|
3675.0000 -131.60593 -126.61044 4.99549 2.22374 -127.53033 651.52322
|
|
3680.0000 -131.18851 -125.28004 5.90847 2.32026 -126.15140 729.43388
|
|
3685.0000 -130.72685 -125.70649 5.02036 2.35705 -125.62575 769.04566
|
|
3690.0000 -129.22051 -124.34128 4.87923 2.45915 -124.16709 828.67137
|
|
3695.0000 -129.28086 -124.23920 5.04166 2.45729 -124.19370 815.43105
|
|
3700.0000 -131.02145 -125.06275 5.95870 2.40008 -125.01104 778.46378
|
|
3705.0000 -131.22212 -126.08592 5.13620 2.38403 -125.24036 772.46606
|
|
3710.0000 -131.63536 -125.83905 5.79631 2.36637 -125.49265 771.86049
|
|
3715.0000 -130.89301 -125.82930 5.06371 2.39706 -125.05413 795.63186
|
|
3720.0000 -130.98061 -126.36294 4.61767 2.31854 -126.17589 672.05593
|
|
3725.0000 -131.80258 -127.28559 4.51699 2.27253 -126.83329 685.88557
|
|
3730.0000 -131.52257 -126.84775 4.67482 2.24810 -127.18226 661.57442
|
|
3735.0000 -131.26693 -125.52699 5.73994 2.30294 -126.39875 707.42064
|
|
3740.0000 -132.41750 -127.11963 5.29786 2.31804 -126.18307 723.68607
|
|
3745.0000 -131.65716 -126.65432 5.00284 2.30509 -126.36808 720.95041
|
|
3750.0000 -131.71216 -127.07278 4.63938 2.27282 -126.82914 700.23784
|
|
MELTING PROCESS: loop number 16 T-loop= 715.00000000000000
|
|
main_MD> interactions number 16 at Temperature= 715.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.68968 1.83547 4.84678
|
|
force_rgl> df(natom) -1.46076 0.31826 0.43018
|
|
3755.0000 -131.69973 -126.85821 4.84152 2.26798 -126.89818 676.93390
|
|
3760.0000 -130.66527 -126.08096 4.58431 2.31176 -126.27283 713.35084
|
|
3765.0000 -130.91476 -126.11996 4.79480 2.35216 -125.69554 788.23315
|
|
3770.0000 -133.19446 -126.70418 6.49028 2.26104 -126.99734 710.16636
|
|
3775.0000 -132.94118 -127.83489 5.10629 2.24868 -127.17394 707.35631
|
|
3780.0000 -133.62164 -127.82044 5.80120 2.25798 -127.04119 810.68056
|
|
3785.0000 -133.61888 -127.77429 5.84459 2.25085 -127.14300 791.99227
|
|
3790.0000 -133.17449 -127.77513 5.39937 2.17546 -128.22009 698.24011
|
|
3795.0000 -132.69538 -128.47684 4.21854 2.18883 -128.02899 697.72659
|
|
3800.0000 -133.81993 -129.45392 4.36601 2.10652 -129.20495 629.74959
|
|
3805.0000 -133.65230 -129.13096 4.52134 2.13977 -128.73001 681.77341
|
|
3810.0000 -132.62721 -128.13711 4.49010 2.16646 -128.34866 665.92780
|
|
3815.0000 -133.10292 -128.66565 4.43727 2.19059 -128.00392 653.80764
|
|
3820.0000 -131.52771 -127.37504 4.15267 2.20099 -127.85525 652.67033
|
|
3825.0000 -132.61136 -127.43074 5.18062 2.21540 -127.64939 673.21518
|
|
3830.0000 -132.36829 -127.95904 4.40926 2.24371 -127.24501 671.37750
|
|
3835.0000 -133.46183 -128.78594 4.67589 2.22312 -127.53920 654.18435
|
|
3840.0000 -131.66884 -127.23513 4.43371 2.15873 -128.45908 592.85682
|
|
3845.0000 -130.71695 -126.01717 4.69978 2.27402 -126.81202 691.25502
|
|
3850.0000 -130.93505 -126.17375 4.76130 2.30466 -126.37429 715.27344
|
|
3855.0000 -130.82089 -126.28874 4.53215 2.29621 -126.49501 695.40446
|
|
3860.0000 -132.26374 -127.45212 4.81161 2.30722 -126.33770 730.40807
|
|
3865.0000 -131.73162 -126.49638 5.23525 2.28272 -126.68773 687.81336
|
|
3870.0000 -131.56545 -126.90271 4.66274 2.29164 -126.56017 718.87739
|
|
3875.0000 -131.86419 -126.62947 5.23472 2.28377 -126.67273 712.65400
|
|
3880.0000 -131.26222 -125.62033 5.64189 2.31165 -126.27430 733.08382
|
|
3885.0000 -131.03056 -124.76020 6.27037 2.39111 -125.13915 774.37527
|
|
3890.0000 -131.10612 -126.91779 4.18834 2.31595 -126.21294 725.59609
|
|
3895.0000 -130.71694 -126.32254 4.39440 2.31194 -126.27025 723.19317
|
|
3900.0000 -131.78831 -126.69304 5.09528 2.29103 -126.56896 686.71681
|
|
3905.0000 -129.96155 -124.88553 5.07602 2.31908 -126.16821 739.35592
|
|
3910.0000 -131.13514 -125.57753 5.55760 2.36322 -125.53765 766.95628
|
|
3915.0000 -132.01515 -126.71552 5.29963 2.30611 -126.35357 725.12980
|
|
3920.0000 -131.45302 -126.75696 4.69606 2.30833 -126.32175 728.89955
|
|
3925.0000 -131.19192 -126.56184 4.63008 2.26309 -126.96815 696.45505
|
|
3930.0000 -130.29697 -125.88659 4.41038 2.31619 -126.20948 740.24593
|
|
3935.0000 -130.85129 -125.16311 5.68817 2.34903 -125.74038 723.69100
|
|
3940.0000 -130.62399 -126.54867 4.07532 2.34202 -125.84043 719.87325
|
|
3945.0000 -131.28936 -126.08683 5.20253 2.34558 -125.78969 733.58409
|
|
3950.0000 -131.48334 -126.36437 5.11898 2.32123 -126.13744 747.77400
|
|
3955.0000 -133.06057 -128.16507 4.89550 2.25794 -127.04173 701.55331
|
|
3960.0000 -131.59100 -127.02435 4.56665 2.23878 -127.31539 666.65567
|
|
3965.0000 -130.45957 -126.73434 3.72524 2.31598 -126.21252 712.69227
|
|
3970.0000 -130.47710 -125.54131 4.93579 2.33891 -125.88490 749.63953
|
|
3975.0000 -130.17875 -124.95715 5.22159 2.37169 -125.41658 792.51284
|
|
3980.0000 -130.79593 -126.24845 4.54748 2.33475 -125.94435 743.84055
|
|
3985.0000 -130.82224 -125.17485 5.64740 2.32587 -126.07125 741.94247
|
|
3990.0000 -131.17336 -125.51215 5.66121 2.36348 -125.53395 746.81435
|
|
3995.0000 -130.10698 -125.88965 4.21734 2.35878 -125.60098 728.70037
|
|
4000.0000 -131.97450 -126.62320 5.35129 2.32356 -126.10417 735.33724
|
|
MELTING PROCESS: loop number 17 T-loop= 740.00000000000000
|
|
main_MD> interactions number 17 at Temperature= 740.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.62414 3.55218 -2.14241
|
|
force_rgl> df(natom) 8.57795 6.66256 7.14086
|
|
4005.0000 -131.18665 -126.21503 4.97163 2.31828 -126.17963 743.20065
|
|
4010.0000 -130.78001 -125.64862 5.13140 2.32008 -126.15396 697.30500
|
|
4015.0000 -129.59604 -124.59531 5.00074 2.38229 -125.26512 748.00097
|
|
4020.0000 -130.49901 -124.35997 6.13904 2.47016 -124.00985 835.22398
|
|
4025.0000 -130.75727 -125.42478 5.33249 2.40581 -124.92906 777.08893
|
|
4030.0000 -131.22836 -125.46403 5.76433 2.36558 -125.50390 749.52804
|
|
4035.0000 -130.75930 -125.39370 5.36560 2.35844 -125.60595 765.04163
|
|
4040.0000 -131.77557 -126.05181 5.72375 2.33606 -125.92564 726.38314
|
|
4045.0000 -129.99471 -125.70735 4.28736 2.31485 -126.22859 724.29252
|
|
4050.0000 -131.62148 -126.05184 5.56965 2.32542 -126.07758 740.86449
|
|
4055.0000 -131.33640 -126.62918 4.70722 2.30510 -126.36796 742.47632
|
|
4060.0000 -132.30462 -127.22917 5.07545 2.26390 -126.95651 694.82937
|
|
4065.0000 -131.14264 -125.98255 5.16010 2.31908 -126.16820 760.66440
|
|
4070.0000 -130.06062 -124.94957 5.11104 2.39714 -125.05293 765.45870
|
|
4075.0000 -131.42076 -126.26149 5.15927 2.33623 -125.92315 749.26655
|
|
4080.0000 -131.79820 -127.94582 3.85238 2.23186 -127.41434 653.57361
|
|
4085.0000 -132.73779 -128.37228 4.36551 2.16898 -128.31266 616.39611
|
|
4090.0000 -132.55326 -127.50465 5.04861 2.19431 -127.95069 655.38831
|
|
4095.0000 -130.95662 -126.02795 4.92866 2.27917 -126.73841 709.82974
|
|
4100.0000 -130.79332 -125.40080 5.39253 2.32484 -126.08593 709.23105
|
|
4105.0000 -131.08971 -126.85681 4.23290 2.34106 -125.85422 761.04600
|
|
4110.0000 -130.17722 -124.95803 5.21919 2.34461 -125.80353 749.53681
|
|
4115.0000 -131.39914 -125.67869 5.72045 2.36743 -125.47745 776.90105
|
|
4120.0000 -131.29854 -126.89054 4.40800 2.31584 -126.21443 734.53581
|
|
4125.0000 -131.21103 -125.87503 5.33600 2.29344 -126.53449 694.61776
|
|
4130.0000 -131.46758 -126.13664 5.33095 2.31144 -126.27734 723.83779
|
|
4135.0000 -131.18315 -125.93044 5.25272 2.32953 -126.01892 746.98311
|
|
4140.0000 -129.91570 -125.54267 4.37303 2.33644 -125.92018 726.06989
|
|
4145.0000 -131.12100 -125.71405 5.40695 2.37676 -125.34420 774.49826
|
|
4150.0000 -130.05737 -125.06013 4.99725 2.31878 -126.17255 730.40214
|
|
4155.0000 -129.62336 -124.91960 4.70377 2.42620 -124.63786 752.20427
|
|
4160.0000 -130.83683 -125.05595 5.78088 2.44260 -124.40356 809.85264
|
|
4165.0000 -131.33555 -125.35568 5.97987 2.39806 -125.03988 764.01551
|
|
4170.0000 -131.01247 -125.98508 5.02740 2.37695 -125.34143 771.52457
|
|
4175.0000 -131.89638 -126.59064 5.30574 2.31942 -126.16336 724.38102
|
|
4180.0000 -130.88157 -125.72454 5.15703 2.27677 -126.77271 692.09200
|
|
4185.0000 -130.55711 -126.14436 4.41275 2.34943 -125.73465 728.66186
|
|
4190.0000 -130.65238 -125.22761 5.42477 2.40037 -125.00689 802.32012
|
|
4195.0000 -130.38351 -125.52694 4.85657 2.36236 -125.54982 760.28508
|
|
4200.0000 -131.78657 -126.39876 5.38781 2.35597 -125.64115 735.14157
|
|
4205.0000 -130.84414 -125.89200 4.95214 2.28449 -126.66233 678.32820
|
|
4210.0000 -131.52191 -125.11650 6.40541 2.33032 -126.00766 735.94588
|
|
4215.0000 -130.67991 -125.47338 5.20653 2.35736 -125.62135 755.60735
|
|
4220.0000 -130.64897 -125.78518 4.86379 2.36102 -125.56898 749.22036
|
|
4225.0000 -130.88711 -125.67042 5.21669 2.33259 -125.97519 756.89899
|
|
4230.0000 -130.33927 -124.58483 5.75444 2.42030 -124.72214 779.95397
|
|
4235.0000 -129.84268 -124.81573 5.02695 2.41516 -124.79552 800.27619
|
|
4240.0000 -131.13054 -125.72813 5.40241 2.39207 -125.12548 786.05192
|
|
4245.0000 -131.04285 -126.56847 4.47438 2.31824 -126.18028 702.45604
|
|
4250.0000 -130.79667 -125.21239 5.58428 2.36973 -125.44465 776.63672
|
|
MELTING PROCESS: loop number 18 T-loop= 765.00000000000000
|
|
main_MD> interactions number 18 at Temperature= 765.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.43400 -1.51162 3.95895
|
|
force_rgl> df(natom) 1.64949 0.30589 4.86457
|
|
4255.0000 -129.32158 -124.42924 4.89233 2.39796 -125.04124 768.73661
|
|
4260.0000 -131.34244 -125.73249 5.60995 2.34009 -125.86805 739.34670
|
|
4265.0000 -131.40013 -124.71355 6.68658 2.41727 -124.76534 790.88057
|
|
4270.0000 -130.76409 -125.12910 5.63499 2.43220 -124.55204 812.42580
|
|
4275.0000 -130.79838 -125.13304 5.66534 2.37741 -125.33486 777.59544
|
|
4280.0000 -130.36992 -124.93905 5.43087 2.39247 -125.11967 788.28615
|
|
4285.0000 -130.91877 -124.99862 5.92015 2.38040 -125.29219 794.47036
|
|
4290.0000 -130.98082 -126.28993 4.69089 2.35487 -125.65692 767.44620
|
|
4295.0000 -130.10979 -125.86749 4.24230 2.30640 -126.34933 711.18170
|
|
4300.0000 -130.43594 -125.00715 5.42879 2.33960 -125.87511 691.12163
|
|
4305.0000 -130.99738 -125.47177 5.52561 2.38840 -125.17787 767.81169
|
|
4310.0000 -128.22594 -122.70226 5.52368 2.44500 -124.36928 816.37586
|
|
4315.0000 -128.69340 -123.07542 5.61799 2.54229 -122.97924 861.41430
|
|
4320.0000 -130.33691 -125.13270 5.20422 2.47580 -123.92925 826.23050
|
|
4325.0000 -131.14091 -125.88373 5.25718 2.32194 -126.12738 731.41927
|
|
4330.0000 -131.53331 -126.59485 4.93847 2.35827 -125.60828 768.47842
|
|
4335.0000 -131.71077 -126.98902 4.72175 2.27759 -126.76099 697.22458
|
|
4340.0000 -131.11054 -125.80610 5.30444 2.29886 -126.45705 731.31010
|
|
4345.0000 -130.32930 -124.56603 5.76327 2.39337 -125.10685 781.64988
|
|
4350.0000 -130.12480 -124.86036 5.26444 2.40287 -124.97118 780.69407
|
|
4355.0000 -129.75884 -124.31203 5.44681 2.42518 -124.65239 810.24386
|
|
4360.0000 -130.92000 -124.90609 6.01391 2.44810 -124.32498 826.99428
|
|
4365.0000 -130.37880 -125.44030 4.93851 2.39661 -125.06052 787.37539
|
|
4370.0000 -131.47716 -126.30276 5.17440 2.36743 -125.47742 754.64139
|
|
4375.0000 -130.07800 -123.69521 6.38279 2.39261 -125.11773 803.31442
|
|
4380.0000 -129.79276 -124.99813 4.79463 2.43705 -124.48276 848.38294
|
|
4385.0000 -132.09825 -126.84834 5.24991 2.33983 -125.87178 774.51673
|
|
4390.0000 -131.47182 -126.58438 4.88743 2.29579 -126.50092 733.82158
|
|
4395.0000 -130.36932 -125.17442 5.19490 2.34800 -125.75505 763.99680
|
|
4400.0000 -131.68495 -125.85587 5.82908 2.39086 -125.14266 793.20504
|
|
4405.0000 -129.58527 -124.35434 5.23093 2.39437 -125.09252 775.41553
|
|
4410.0000 -131.40682 -125.39328 6.01355 2.39653 -125.06165 794.75873
|
|
4415.0000 -131.46390 -126.64446 4.81944 2.29191 -126.55631 712.14662
|
|
4420.0000 -130.18073 -123.95094 6.22978 2.34120 -125.85224 766.32740
|
|
4425.0000 -130.84926 -125.43827 5.41099 2.33054 -126.00453 745.81757
|
|
4430.0000 -130.43645 -125.43682 4.99963 2.33253 -125.97602 731.30632
|
|
4435.0000 -132.27731 -127.32043 4.95687 2.30563 -126.36030 724.30196
|
|
4440.0000 -131.53317 -126.24446 5.28870 2.27428 -126.80830 707.49051
|
|
4445.0000 -131.98688 -127.02409 4.96279 2.25240 -127.12083 672.89235
|
|
4450.0000 -131.34404 -125.35735 5.98669 2.33897 -125.88399 762.72241
|
|
4455.0000 -130.74053 -124.92482 5.81570 2.37131 -125.42204 775.71882
|
|
4460.0000 -129.67543 -124.32611 5.34932 2.42749 -124.61942 764.61227
|
|
4465.0000 -129.83989 -124.16447 5.67542 2.45650 -124.20498 832.80675
|
|
4470.0000 -129.89485 -124.24024 5.65461 2.44261 -124.40333 810.45858
|
|
4475.0000 -129.94299 -123.84049 6.10250 2.46892 -124.02749 837.09633
|
|
4480.0000 -130.03655 -124.78351 5.25304 2.47446 -123.94837 829.33527
|
|
4485.0000 -131.01411 -125.08652 5.92759 2.41204 -124.84017 802.36940
|
|
4490.0000 -130.49204 -125.47834 5.01370 2.40455 -124.94714 761.66365
|
|
4495.0000 -131.16349 -126.98866 4.17483 2.33274 -125.97301 733.23567
|
|
4500.0000 -130.88818 -126.19938 4.68880 2.33562 -125.93194 735.33062
|
|
MELTING PROCESS: loop number 19 T-loop= 790.00000000000000
|
|
main_MD> interactions number 19 at Temperature= 790.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.27284 0.39360 -2.75319
|
|
force_rgl> df(natom) -0.14420 2.22845 1.76999
|
|
4505.0000 -129.27212 -124.34732 4.92480 2.39989 -125.01365 747.59509
|
|
4510.0000 -130.12695 -124.00115 6.12580 2.44400 -124.38346 821.34685
|
|
4515.0000 -129.88826 -124.39826 5.49000 2.46627 -124.06543 822.84285
|
|
4520.0000 -130.61502 -123.79189 6.82313 2.44261 -124.40343 826.39345
|
|
4525.0000 -130.47842 -124.45646 6.02196 2.48679 -123.77224 871.60006
|
|
4530.0000 -131.03654 -125.00612 6.03042 2.47852 -123.89040 847.58452
|
|
4535.0000 -130.75352 -124.71822 6.03529 2.37965 -125.30284 774.31459
|
|
4540.0000 -130.44768 -124.60196 5.84572 2.41715 -124.76708 797.59695
|
|
4545.0000 -131.86894 -126.76238 5.10656 2.36568 -125.50251 763.33889
|
|
4550.0000 -131.75957 -126.16755 5.59202 2.30552 -126.36200 744.29359
|
|
4555.0000 -130.95763 -126.08469 4.87295 2.32256 -126.11855 711.55225
|
|
4560.0000 -130.07806 -123.64680 6.43126 2.36717 -125.48124 768.56561
|
|
4565.0000 -130.25980 -124.79761 5.46220 2.41439 -124.80658 793.77891
|
|
4570.0000 -132.83661 -127.00670 5.82992 2.33679 -125.91521 775.22321
|
|
4575.0000 -130.79805 -126.31448 4.48357 2.30116 -126.42429 713.21339
|
|
4580.0000 -130.97625 -124.77341 6.20284 2.32896 -126.02712 739.93958
|
|
4585.0000 -130.60263 -124.17434 6.42829 2.40962 -124.87474 793.42684
|
|
4590.0000 -130.30835 -124.50785 5.80051 2.44036 -124.43550 811.41278
|
|
4595.0000 -129.34602 -124.54183 4.80419 2.45630 -124.20781 849.60870
|
|
4600.0000 -131.62394 -126.57860 5.04533 2.35304 -125.68300 762.33647
|
|
4605.0000 -130.38551 -124.96792 5.41759 2.33893 -125.88462 742.21963
|
|
4610.0000 -130.47441 -124.53743 5.93698 2.40462 -124.94607 769.38866
|
|
4615.0000 -130.96425 -125.15001 5.81425 2.43586 -124.49979 844.20001
|
|
4620.0000 -130.67128 -125.35674 5.31454 2.35617 -125.63831 754.47926
|
|
4625.0000 -130.69954 -125.13393 5.56561 2.42589 -124.64230 767.89561
|
|
4630.0000 -130.20942 -123.95487 6.25455 2.45321 -124.25193 838.02609
|
|
4635.0000 -130.53271 -124.87125 5.66146 2.41140 -124.84929 817.85670
|
|
4640.0000 -129.63430 -124.04542 5.58888 2.42865 -124.60286 815.99795
|
|
4645.0000 -130.18272 -125.03826 5.14446 2.41089 -124.85651 801.77835
|
|
4650.0000 -131.72387 -126.34387 5.38000 2.34816 -125.75279 752.05953
|
|
4655.0000 -131.62966 -127.36682 4.26283 2.27379 -126.81528 714.05583
|
|
4660.0000 -130.91512 -125.43932 5.47581 2.28935 -126.59300 714.94021
|
|
4665.0000 -129.70656 -124.23851 5.46805 2.40892 -124.88468 797.30880
|
|
4670.0000 -130.50847 -124.23278 6.27569 2.42983 -124.58595 800.12801
|
|
4675.0000 -130.99052 -125.33171 5.65881 2.42361 -124.67487 785.24249
|
|
4680.0000 -130.73882 -125.55459 5.18423 2.36924 -125.45162 761.53992
|
|
4685.0000 -130.54127 -125.13604 5.40523 2.37594 -125.35584 762.87496
|
|
4690.0000 -131.45582 -126.48571 4.97010 2.33147 -125.99113 748.28085
|
|
4695.0000 -130.89508 -126.16207 4.73301 2.36638 -125.49250 781.68653
|
|
4700.0000 -131.11438 -126.14297 4.97141 2.33806 -125.89701 756.60310
|
|
4705.0000 -130.56611 -124.61616 5.94996 2.35215 -125.69570 745.93150
|
|
4710.0000 -129.13462 -123.26367 5.87095 2.44368 -124.38803 816.14525
|
|
4715.0000 -129.79482 -123.62544 6.16938 2.51035 -123.43558 879.20752
|
|
4720.0000 -130.50443 -124.94103 5.56340 2.43652 -124.49045 816.05241
|
|
4725.0000 -130.30284 -124.91804 5.38480 2.39465 -125.08854 795.64240
|
|
4730.0000 -129.44532 -124.11589 5.32943 2.44742 -124.33468 818.97639
|
|
4735.0000 -130.77449 -124.29395 6.48054 2.47977 -123.87255 858.92986
|
|
4740.0000 -130.41000 -125.77631 4.63368 2.37523 -125.36600 757.27494
|
|
4745.0000 -130.43040 -125.13529 5.29511 2.37560 -125.36073 771.12830
|
|
4750.0000 -130.80891 -125.16450 5.64440 2.43432 -124.52178 830.38836
|
|
MELTING PROCESS: loop number 20 T-loop= 815.00000000000000
|
|
main_MD> interactions number 20 at Temperature= 815.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.90793 -0.08383 -0.62712
|
|
force_rgl> df(natom) -1.17232 -4.92987 -0.23512
|
|
4755.0000 -130.05004 -125.25588 4.79416 2.37989 -125.29939 771.96883
|
|
4760.0000 -129.52138 -124.57794 4.94344 2.41949 -124.73369 792.43861
|
|
4765.0000 -130.66412 -125.81706 4.84706 2.39131 -125.13623 754.86131
|
|
4770.0000 -130.69685 -124.85194 5.84490 2.37687 -125.34252 770.96673
|
|
4775.0000 -129.08100 -124.66264 4.41835 2.46230 -124.12207 819.31363
|
|
4780.0000 -131.76944 -126.43482 5.33462 2.38359 -125.24659 790.90588
|
|
4785.0000 -131.20587 -125.71132 5.49455 2.34599 -125.78370 779.96905
|
|
4790.0000 -131.35227 -125.35937 5.99290 2.34379 -125.81517 745.47663
|
|
4795.0000 -129.90311 -124.48801 5.41510 2.42140 -124.70639 790.31387
|
|
4800.0000 -130.32219 -123.40758 6.91461 2.44909 -124.31081 820.22581
|
|
4805.0000 -129.01903 -123.21855 5.80048 2.51002 -123.44027 850.07692
|
|
4810.0000 -129.95480 -123.35509 6.59972 2.52742 -123.19173 885.09013
|
|
4815.0000 -129.11873 -123.77129 5.34744 2.52943 -123.16300 886.96513
|
|
4820.0000 -129.79259 -123.47611 6.31648 2.53416 -123.09545 845.05683
|
|
4825.0000 -130.26402 -124.39222 5.87180 2.48505 -123.79701 835.00015
|
|
4830.0000 -130.69030 -125.66388 5.02642 2.37924 -125.30867 771.64141
|
|
4835.0000 -130.63346 -124.89730 5.73616 2.39504 -125.08302 794.45507
|
|
4840.0000 -131.53610 -125.94053 5.59556 2.36132 -125.56480 775.71537
|
|
4845.0000 -131.30783 -125.96651 5.34132 2.35019 -125.72370 728.39987
|
|
4850.0000 -130.02077 -124.53577 5.48500 2.40879 -124.88661 784.59944
|
|
4855.0000 -129.78349 -123.57625 6.20724 2.47106 -123.99690 817.94865
|
|
4860.0000 -130.93222 -124.39153 6.54069 2.47885 -123.88566 844.87896
|
|
4865.0000 -132.07960 -125.34340 6.73619 2.37582 -125.35760 787.00786
|
|
4870.0000 -131.06551 -126.19397 4.87154 2.32828 -126.03673 729.68924
|
|
4875.0000 -130.74273 -125.31473 5.42801 2.38457 -125.23254 776.64433
|
|
4880.0000 -130.80791 -125.07616 5.73176 2.37929 -125.30794 822.14815
|
|
4885.0000 -129.78454 -124.17958 5.60496 2.39777 -125.04400 790.55297
|
|
4890.0000 -128.60298 -123.90223 4.70075 2.41933 -124.73603 793.69428
|
|
4895.0000 -129.02387 -123.95175 5.07211 2.44880 -124.31500 815.30806
|
|
4900.0000 -130.70273 -124.59427 6.10846 2.45356 -124.24688 804.15336
|
|
4905.0000 -131.16295 -124.82674 6.33621 2.47296 -123.96979 834.41307
|
|
4910.0000 -130.04333 -123.77889 6.26444 2.42164 -124.70298 791.17809
|
|
4915.0000 -130.37716 -124.89570 5.48147 2.41002 -124.86892 773.29019
|
|
4920.0000 -129.56361 -123.52091 6.04270 2.48678 -123.77228 840.18954
|
|
4925.0000 -129.76060 -124.12534 5.63525 2.48702 -123.76890 859.74404
|
|
4930.0000 -130.12738 -124.26590 5.86147 2.49502 -123.65456 839.71197
|
|
4935.0000 -129.37987 -124.13724 5.24263 2.47938 -123.87806 844.39730
|
|
4940.0000 -130.37287 -124.02365 6.34921 2.45499 -124.22658 822.17900
|
|
4945.0000 -128.71237 -123.06371 5.64866 2.54281 -122.97187 884.24580
|
|
4950.0000 -129.66558 -124.38790 5.27768 2.53473 -123.08732 874.16492
|
|
4955.0000 -130.50965 -124.01277 6.49688 2.45827 -124.17972 807.51324
|
|
4960.0000 -129.94694 -124.35603 5.59091 2.46180 -124.12926 789.59311
|
|
4965.0000 -131.16563 -123.98617 7.17946 2.44505 -124.36849 824.69586
|
|
4970.0000 -128.23670 -122.93999 5.29670 2.51941 -123.30621 868.95931
|
|
4975.0000 -129.86114 -122.64557 7.21557 2.58984 -122.30002 908.68535
|
|
4980.0000 -130.07920 -124.68026 5.39894 2.52283 -123.25734 863.95721
|
|
4985.0000 -129.62326 -124.01710 5.60616 2.45720 -124.19497 837.68960
|
|
4990.0000 -129.92579 -124.45030 5.47549 2.45839 -124.17797 822.20660
|
|
4995.0000 -129.26146 -124.12014 5.14131 2.45349 -124.24800 821.97053
|
|
5000.0000 -128.95898 -122.83892 6.12006 2.50281 -123.54339 871.10520
|
|
MELTING PROCESS: loop number 21 T-loop= 840.00000000000000
|
|
main_MD> interactions number 21 at Temperature= 840.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.67988 1.05941 -0.27033
|
|
force_rgl> df(natom) -3.29992 -2.69077 -2.66943
|
|
5005.0000 -128.55986 -122.11929 6.44057 2.60872 -122.03020 929.32646
|
|
5010.0000 -127.54932 -121.61871 5.93061 2.59088 -122.28512 915.31540
|
|
5015.0000 -129.67622 -123.37750 6.29872 2.55144 -122.84857 867.45721
|
|
5020.0000 -130.16095 -124.34133 5.81962 2.45313 -124.25304 828.24482
|
|
5025.0000 -128.75450 -123.72752 5.02698 2.45095 -124.28429 848.57925
|
|
5030.0000 -129.06564 -122.84910 6.21654 2.50458 -123.51807 895.16453
|
|
5035.0000 -130.38514 -124.80706 5.57808 2.49041 -123.72050 857.76946
|
|
5040.0000 -130.49627 -124.10159 6.39468 2.44003 -124.44026 803.22461
|
|
5045.0000 -128.90755 -123.73308 5.17447 2.47874 -123.88724 842.64106
|
|
5050.0000 -128.23851 -122.16753 6.07098 2.52428 -123.23663 879.98907
|
|
5055.0000 -129.19756 -122.99988 6.19768 2.55179 -122.84360 896.26857
|
|
5060.0000 -129.26386 -123.58090 5.68297 2.54303 -122.96872 885.29609
|
|
5065.0000 -127.46228 -121.62825 5.83403 2.59325 -122.25118 927.83485
|
|
5070.0000 -128.57380 -124.13188 4.44191 2.54856 -122.88972 862.46855
|
|
5075.0000 -130.52568 -124.49509 6.03059 2.46871 -124.03058 817.53148
|
|
5080.0000 -130.01190 -125.35949 4.65242 2.41718 -124.76667 758.93346
|
|
5085.0000 -131.59635 -125.09963 6.49672 2.37740 -125.33495 752.62777
|
|
5090.0000 -129.48315 -124.79923 4.68392 2.39088 -125.14244 781.71189
|
|
5095.0000 -130.60745 -125.44916 5.15829 2.37985 -125.30008 748.93351
|
|
5100.0000 -130.53467 -124.21520 6.31947 2.40949 -124.87662 802.83104
|
|
5105.0000 -131.33754 -125.35093 5.98661 2.42486 -124.65697 822.88669
|
|
5110.0000 -128.80509 -123.10451 5.70059 2.50469 -123.51645 848.05250
|
|
5115.0000 -129.87231 -124.68697 5.18534 2.44343 -124.39171 809.84571
|
|
5120.0000 -129.49001 -124.31006 5.17996 2.45490 -124.22783 840.67820
|
|
5125.0000 -129.04729 -123.52063 5.52667 2.45945 -124.16274 848.67281
|
|
5130.0000 -130.10447 -124.23763 5.86684 2.49198 -123.69801 841.33386
|
|
5135.0000 -130.15890 -124.62036 5.53854 2.42336 -124.67835 790.73253
|
|
5140.0000 -130.92747 -124.92557 6.00190 2.40609 -124.92518 783.30774
|
|
5145.0000 -129.77176 -124.31297 5.45879 2.40058 -125.00388 792.44830
|
|
5150.0000 -130.94173 -125.10472 5.83700 2.41540 -124.79206 801.05455
|
|
5155.0000 -128.86215 -123.49113 5.37102 2.43661 -124.48904 786.97782
|
|
5160.0000 -129.73842 -123.23365 6.50477 2.54399 -122.95506 868.31058
|
|
5165.0000 -130.39766 -124.28566 6.11199 2.43686 -124.48550 795.93866
|
|
5170.0000 -129.80063 -124.21928 5.58135 2.38476 -125.22993 778.62454
|
|
5175.0000 -129.33017 -124.32131 5.00885 2.48811 -123.75340 824.46221
|
|
5180.0000 -130.29542 -125.29731 4.99812 2.44516 -124.36689 830.64208
|
|
5185.0000 -129.59685 -124.81439 4.78246 2.37940 -125.30641 767.10777
|
|
5190.0000 -130.02112 -125.54724 4.47388 2.40238 -124.97810 797.94027
|
|
5195.0000 -130.69562 -124.67700 6.01862 2.36452 -125.51899 752.04689
|
|
5200.0000 -131.01314 -124.15766 6.85548 2.43762 -124.47470 805.25860
|
|
5205.0000 -129.76238 -123.93397 5.82840 2.41930 -124.73637 812.70582
|
|
5210.0000 -128.90544 -122.12387 6.78157 2.52140 -123.27777 888.91058
|
|
5215.0000 -129.32424 -123.13459 6.18965 2.54392 -122.95602 896.95153
|
|
5220.0000 -130.18131 -124.56907 5.61224 2.52275 -123.25844 867.99083
|
|
5225.0000 -131.14891 -125.91681 5.23210 2.37685 -125.34289 794.06817
|
|
5230.0000 -130.36696 -125.47984 4.88713 2.39489 -125.08510 809.53662
|
|
5235.0000 -131.53476 -126.32645 5.20831 2.32234 -126.12166 717.35219
|
|
5240.0000 -130.11776 -124.61360 5.50416 2.39963 -125.01746 781.39149
|
|
5245.0000 -129.83072 -124.27843 5.55229 2.44941 -124.30621 824.28960
|
|
5250.0000 -130.17134 -124.54180 5.62953 2.48126 -123.85116 868.61178
|
|
MELTING PROCESS: loop number 22 T-loop= 865.00000000000000
|
|
main_MD> interactions number 22 at Temperature= 865.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.10634 0.93177 -5.31546
|
|
force_rgl> df(natom) -2.68374 0.58437 0.68903
|
|
5255.0000 -130.08854 -123.91019 6.17835 2.44261 -124.40341 823.14655
|
|
5260.0000 -129.08565 -122.89365 6.19200 2.50520 -123.50926 875.72513
|
|
5265.0000 -129.03784 -123.60065 5.43720 2.55679 -122.77213 884.34353
|
|
5270.0000 -128.92134 -123.05517 5.86617 2.56130 -122.70771 883.53314
|
|
5275.0000 -130.30639 -123.36838 6.93801 2.54164 -122.98858 895.88547
|
|
5280.0000 -129.59867 -123.17520 6.42348 2.52481 -123.22897 895.30447
|
|
5285.0000 -130.14994 -123.64454 6.50540 2.49602 -123.64031 849.04510
|
|
5290.0000 -129.16520 -122.65414 6.51106 2.51420 -123.38055 877.24399
|
|
5295.0000 -129.31184 -124.46764 4.84420 2.48628 -123.77951 853.60397
|
|
5300.0000 -129.84283 -124.38152 5.46131 2.42812 -124.61040 806.16806
|
|
5305.0000 -129.92756 -123.63800 6.28956 2.42754 -124.61870 793.31099
|
|
5310.0000 -130.87003 -123.78923 7.08080 2.48906 -123.73972 855.84603
|
|
5315.0000 -130.67132 -125.55908 5.11223 2.41624 -124.78017 801.20194
|
|
5320.0000 -130.22268 -124.57366 5.64902 2.41926 -124.73693 777.80857
|
|
5325.0000 -128.80884 -123.40869 5.40015 2.51609 -123.35366 871.24731
|
|
5330.0000 -129.21632 -122.21370 7.00263 2.51414 -123.38148 844.11213
|
|
5335.0000 -130.14287 -123.84199 6.30087 2.53778 -123.04378 885.51699
|
|
5340.0000 -128.68098 -123.03100 5.64998 2.56628 -122.63656 946.85883
|
|
5345.0000 -129.32423 -122.75637 6.56786 2.54887 -122.88534 912.51102
|
|
5350.0000 -128.34383 -122.70269 5.64115 2.54560 -122.93201 891.49858
|
|
5355.0000 -128.51139 -122.43463 6.07677 2.58008 -122.43943 909.06349
|
|
5360.0000 -128.81922 -123.23805 5.58117 2.53083 -123.14295 893.82778
|
|
5365.0000 -129.52299 -123.47784 6.04514 2.48210 -123.83927 837.58182
|
|
5370.0000 -130.26750 -123.00222 7.26528 2.55518 -122.79508 905.97242
|
|
5375.0000 -127.66006 -122.00058 5.65949 2.57191 -122.55612 906.24993
|
|
5380.0000 -128.61655 -122.22902 6.38753 2.60968 -122.01649 925.96334
|
|
5385.0000 -128.28223 -122.77820 5.50403 2.56047 -122.71954 888.83826
|
|
5390.0000 -129.16557 -122.46858 6.69699 2.54009 -123.01075 887.38548
|
|
5395.0000 -129.26943 -122.44456 6.82487 2.62023 -121.86577 973.19635
|
|
5400.0000 -130.29865 -124.60678 5.69187 2.53418 -123.09517 884.88459
|
|
5405.0000 -129.06819 -123.32861 5.73958 2.48434 -123.80718 861.84552
|
|
5410.0000 -130.30578 -124.10524 6.20054 2.50861 -123.46049 882.04102
|
|
5415.0000 -129.56456 -124.06341 5.50114 2.51255 -123.40412 886.66503
|
|
5420.0000 -129.66322 -123.87515 5.78807 2.47834 -123.89297 837.39765
|
|
5425.0000 -128.36188 -123.00576 5.35612 2.54590 -122.92770 885.28020
|
|
5430.0000 -128.18380 -122.22650 5.95731 2.57396 -122.52688 881.64228
|
|
5435.0000 -129.79758 -123.31448 6.48310 2.57606 -122.49687 923.67176
|
|
5440.0000 -128.91830 -122.31324 6.60505 2.52864 -123.17431 884.77379
|
|
5445.0000 -128.79269 -122.29478 6.49791 2.59676 -122.20114 918.01667
|
|
5450.0000 -130.13845 -123.39365 6.74479 2.50637 -123.49246 896.52531
|
|
5455.0000 -129.31231 -123.86977 5.44254 2.51938 -123.30662 883.91537
|
|
5460.0000 -128.56848 -123.48226 5.08622 2.52421 -123.23754 848.13668
|
|
5465.0000 -128.59704 -122.14791 6.44913 2.55262 -122.83169 862.36382
|
|
5470.0000 -127.91142 -122.49272 5.41870 2.59855 -122.17556 927.27775
|
|
5475.0000 -130.69115 -125.22213 5.46901 2.46981 -124.01477 790.48032
|
|
5480.0000 -129.86870 -123.87652 5.99218 2.40459 -124.94652 782.83546
|
|
5485.0000 -128.92900 -124.12309 4.80591 2.47207 -123.98252 826.14812
|
|
5490.0000 -130.07417 -124.39705 5.67711 2.44184 -124.41440 812.78083
|
|
5495.0000 -131.21412 -126.35330 4.86082 2.40061 -125.00348 788.39838
|
|
5500.0000 -131.35837 -125.32772 6.03065 2.35970 -125.58784 783.36158
|
|
MELTING PROCESS: loop number 23 T-loop= 890.00000000000000
|
|
main_MD> interactions number 23 at Temperature= 890.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.87391 -1.69025 -0.10212
|
|
force_rgl> df(natom) 1.87072 -1.82759 1.01396
|
|
5505.0000 -129.87158 -123.80728 6.06429 2.40926 -124.87989 801.25269
|
|
5510.0000 -129.61928 -122.91968 6.69960 2.52201 -123.26908 882.42199
|
|
5515.0000 -130.41617 -123.51491 6.90127 2.53709 -123.05361 904.46775
|
|
5520.0000 -127.79607 -121.31588 6.48018 2.59985 -122.15699 938.50795
|
|
5525.0000 -127.63361 -121.10277 6.53084 2.64322 -121.53733 972.91007
|
|
5530.0000 -128.60145 -122.21499 6.38646 2.62397 -121.81240 949.63692
|
|
5535.0000 -129.17839 -122.60660 6.57180 2.56255 -122.68980 927.18950
|
|
5540.0000 -129.84445 -123.87443 5.97002 2.53825 -123.03703 905.46869
|
|
5545.0000 -129.18974 -124.32371 4.86603 2.48844 -123.74856 830.10460
|
|
5550.0000 -129.11105 -122.47240 6.63865 2.51249 -123.40500 880.42525
|
|
5555.0000 -127.51826 -122.24479 5.27347 2.56349 -122.67644 884.44677
|
|
5560.0000 -129.03297 -122.20553 6.82744 2.57083 -122.57157 915.09870
|
|
5565.0000 -129.69162 -123.03395 6.65767 2.53441 -123.09190 880.94285
|
|
5570.0000 -128.71192 -122.02115 6.69077 2.55887 -122.74243 909.42029
|
|
5575.0000 -129.06411 -122.90387 6.16024 2.61462 -121.94592 954.95840
|
|
5580.0000 -129.48934 -122.22735 7.26199 2.59819 -122.18073 957.84863
|
|
5585.0000 -128.80320 -122.00231 6.80089 2.61482 -121.94315 943.23628
|
|
5590.0000 -128.15474 -123.10384 5.05090 2.61366 -121.95959 938.68080
|
|
5595.0000 -129.95071 -121.75399 8.19672 2.60260 -122.11766 932.88451
|
|
5600.0000 -128.94225 -123.32916 5.61309 2.57242 -122.54888 897.76577
|
|
5605.0000 -129.47563 -122.56216 6.91347 2.54344 -122.96283 895.86439
|
|
5610.0000 -129.04787 -122.61198 6.43590 2.60290 -122.11335 921.09583
|
|
5615.0000 -128.92963 -121.79409 7.13554 2.56583 -122.64303 915.65693
|
|
5620.0000 -128.56526 -121.92490 6.64037 2.63136 -121.70672 971.71236
|
|
5625.0000 -129.36934 -121.95041 7.41894 2.67764 -121.04555 993.49173
|
|
5630.0000 -128.96855 -122.49635 6.47220 2.62956 -121.73254 936.15384
|
|
5635.0000 -128.92575 -122.07175 6.85401 2.59250 -122.26194 920.70536
|
|
5640.0000 -128.39064 -121.47013 6.92051 2.66303 -121.25438 980.05017
|
|
5645.0000 -129.43287 -123.90451 5.52837 2.54292 -122.97034 880.58529
|
|
5650.0000 -130.21871 -123.70864 6.51006 2.51195 -123.41277 875.29324
|
|
5655.0000 -129.26889 -123.65471 5.61418 2.45737 -124.19252 815.55952
|
|
5660.0000 -129.63942 -123.85978 5.77964 2.53712 -123.05319 900.46907
|
|
5665.0000 -130.01660 -123.98614 6.03047 2.52958 -123.16083 877.76441
|
|
5670.0000 -129.63721 -123.90486 5.73235 2.45629 -124.20800 831.26991
|
|
5675.0000 -129.46166 -123.46221 5.99945 2.47898 -123.88381 865.04877
|
|
5680.0000 -129.52256 -124.45954 5.06302 2.48195 -123.84141 862.59647
|
|
5685.0000 -130.76316 -125.08242 5.68074 2.43295 -124.54134 827.99757
|
|
5690.0000 -128.66523 -121.44546 7.21977 2.56619 -122.63779 886.08298
|
|
5695.0000 -128.91201 -123.66134 5.25067 2.54802 -122.89736 912.06584
|
|
5700.0000 -129.61003 -122.86977 6.74026 2.47874 -123.88718 842.06373
|
|
5705.0000 -130.12756 -123.65959 6.46797 2.49470 -123.65925 853.66774
|
|
5710.0000 -130.42302 -123.82454 6.59847 2.49702 -123.62611 856.77295
|
|
5715.0000 -129.07686 -122.78226 6.29460 2.52859 -123.17509 849.49298
|
|
5720.0000 -129.89944 -123.45072 6.44872 2.50564 -123.50286 857.10096
|
|
5725.0000 -130.14056 -122.97137 7.16919 2.54950 -122.87623 938.91324
|
|
5730.0000 -128.46334 -123.54370 4.91964 2.51918 -123.30948 863.78853
|
|
5735.0000 -127.90541 -122.07667 5.82875 2.63297 -121.68375 944.36458
|
|
5740.0000 -129.30160 -121.81156 7.49004 2.63497 -121.65517 952.22257
|
|
5745.0000 -130.58035 -123.82498 6.75537 2.46952 -124.01897 878.28058
|
|
5750.0000 -129.29379 -121.83655 7.45724 2.51050 -123.43354 890.88794
|
|
MELTING PROCESS: loop number 24 T-loop= 915.00000000000000
|
|
main_MD> interactions number 24 at Temperature= 915.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.88150 -0.14509 -1.87429
|
|
force_rgl> df(natom) -0.98124 -0.41714 3.82717
|
|
5755.0000 -129.13378 -122.79554 6.33824 2.61310 -121.96768 935.72772
|
|
5760.0000 -129.88176 -123.76104 6.12072 2.51525 -123.36561 874.85929
|
|
5765.0000 -128.76009 -122.66194 6.09815 2.56643 -122.63448 890.48567
|
|
5770.0000 -128.15018 -122.77499 5.37519 2.54843 -122.89154 853.51233
|
|
5775.0000 -128.58813 -122.78931 5.79882 2.58230 -122.40776 914.40273
|
|
5780.0000 -129.07997 -122.92190 6.15807 2.55214 -122.83854 886.32309
|
|
5785.0000 -129.63218 -123.23133 6.40084 2.53881 -123.02899 885.65270
|
|
5790.0000 -130.20091 -123.07547 7.12544 2.54423 -122.95151 917.14154
|
|
5795.0000 -129.26295 -122.71493 6.54802 2.46897 -124.02685 860.69369
|
|
5800.0000 -129.96467 -121.71009 8.25458 2.65514 -121.36705 969.21687
|
|
5805.0000 -129.37114 -123.28201 6.08913 2.61839 -121.89207 954.09996
|
|
5810.0000 -126.96955 -120.01253 6.95702 2.66547 -121.21949 967.70704
|
|
5815.0000 -129.08855 -121.82197 7.26659 2.66987 -121.15666 991.55526
|
|
5820.0000 -127.08397 -121.35776 5.72621 2.64827 -121.46519 947.19692
|
|
5825.0000 -130.36512 -123.90410 6.46102 2.62627 -121.77948 934.90745
|
|
5830.0000 -129.17379 -123.32807 5.84572 2.50592 -123.49897 874.00769
|
|
5835.0000 -129.77078 -124.50183 5.26895 2.50369 -123.53081 846.12064
|
|
5840.0000 -128.26280 -122.86890 5.39389 2.49582 -123.64314 805.88108
|
|
5845.0000 -129.26434 -123.53493 5.72941 2.60166 -122.13105 946.02177
|
|
5850.0000 -128.65812 -122.82343 5.83469 2.51816 -123.32407 877.11948
|
|
5855.0000 -130.93373 -123.81988 7.11385 2.54444 -122.94854 903.27547
|
|
5860.0000 -129.09574 -122.33032 6.76543 2.51686 -123.34256 903.26386
|
|
5865.0000 -128.55403 -122.84071 5.71333 2.54599 -122.92646 907.04600
|
|
5870.0000 -129.92567 -123.45838 6.46729 2.53739 -123.04924 858.57931
|
|
5875.0000 -129.62342 -121.98690 7.63651 2.59116 -122.28117 921.25659
|
|
5880.0000 -128.83486 -123.19839 5.63648 2.57981 -122.44320 946.60381
|
|
5885.0000 -127.42081 -122.62909 4.79172 2.54616 -122.92398 935.41001
|
|
5890.0000 -128.33760 -120.96218 7.37542 2.64720 -121.48051 982.05712
|
|
5895.0000 -129.05474 -121.40813 7.64661 2.70097 -120.71224 1011.72341
|
|
5900.0000 -128.72474 -121.37864 7.34611 2.62206 -121.83965 970.68785
|
|
5905.0000 -127.53536 -122.40039 5.13497 2.59512 -122.22454 921.77523
|
|
5910.0000 -129.38735 -122.35834 7.02901 2.57611 -122.49617 874.04754
|
|
5915.0000 -128.93679 -122.45835 6.47843 2.62093 -121.85581 937.40697
|
|
5920.0000 -127.99341 -121.26075 6.73267 2.62797 -121.75525 950.64431
|
|
5925.0000 -127.83080 -121.20534 6.62546 2.63647 -121.63380 950.02342
|
|
5930.0000 -128.45557 -122.33152 6.12405 2.60834 -122.03569 947.30242
|
|
5935.0000 -128.98406 -122.78438 6.19968 2.59096 -122.28403 882.26475
|
|
5940.0000 -129.15225 -121.04045 8.11180 2.62600 -121.78343 948.33338
|
|
5945.0000 -128.84757 -122.19388 6.65368 2.61252 -121.97602 924.04612
|
|
5950.0000 -128.86478 -121.40324 7.46154 2.58787 -122.32808 922.63857
|
|
5955.0000 -130.40715 -123.32273 7.08442 2.57899 -122.45500 957.58413
|
|
5960.0000 -128.68691 -121.78309 6.90383 2.57547 -122.50523 908.38253
|
|
5965.0000 -129.32163 -122.26526 7.05638 2.57407 -122.52520 911.06471
|
|
5970.0000 -128.11739 -122.17279 5.94460 2.57893 -122.45586 917.71770
|
|
5975.0000 -129.30633 -123.96409 5.34224 2.53943 -123.02015 896.68332
|
|
5980.0000 -128.27161 -122.95310 5.31851 2.51563 -123.36018 874.96437
|
|
5985.0000 -127.86966 -122.66058 5.20908 2.53923 -123.02300 893.52849
|
|
5990.0000 -129.39636 -122.65773 6.73863 2.50731 -123.47905 866.02114
|
|
5995.0000 -129.89914 -123.03688 6.86226 2.55910 -122.73913 892.85729
|
|
6000.0000 -128.58058 -123.47868 5.10190 2.52223 -123.26587 858.26502
|
|
MELTING PROCESS: loop number 25 T-loop= 940.00000000000000
|
|
main_MD> interactions number 25 at Temperature= 940.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.28069 -0.50542 -0.89314
|
|
force_rgl> df(natom) 2.96826 -3.57675 -1.33164
|
|
6005.0000 -128.95211 -122.54549 6.40662 2.50990 -123.44206 863.12083
|
|
6010.0000 -130.04872 -123.69267 6.35606 2.51215 -123.40986 877.85019
|
|
6015.0000 -128.00614 -122.07334 5.93280 2.54961 -122.87465 894.25322
|
|
6020.0000 -127.51145 -122.00911 5.50235 2.58847 -122.31958 944.85241
|
|
6025.0000 -128.40984 -123.00753 5.40231 2.55960 -122.73197 898.74754
|
|
6030.0000 -129.17006 -123.99795 5.17211 2.52606 -123.21116 857.62048
|
|
6035.0000 -126.73564 -121.56711 5.16853 2.54928 -122.87946 910.74376
|
|
6040.0000 -127.93562 -119.54887 8.38675 2.79006 -119.43943 1048.81033
|
|
6045.0000 -127.62744 -120.36606 7.26139 2.74745 -120.04829 1044.66914
|
|
6050.0000 -128.64459 -122.31924 6.32535 2.65557 -121.36088 963.78924
|
|
6055.0000 -129.23329 -122.41200 6.82129 2.60110 -122.13904 929.80430
|
|
6060.0000 -128.46131 -121.27456 7.18675 2.61775 -121.90116 938.36182
|
|
6065.0000 -127.15964 -121.00316 6.15649 2.70492 -120.65585 985.13651
|
|
6070.0000 -129.29104 -122.13647 7.15457 2.64713 -121.48144 949.93126
|
|
6075.0000 -127.99548 -120.61144 7.38404 2.70705 -120.62549 1003.10677
|
|
6080.0000 -129.43002 -122.80435 6.62568 2.60015 -122.15263 916.31635
|
|
6085.0000 -127.91585 -122.17069 5.74516 2.54545 -122.93411 926.29249
|
|
6090.0000 -127.33497 -119.76178 7.57319 2.62361 -121.81756 964.87221
|
|
6095.0000 -126.52553 -120.00973 6.51580 2.71666 -120.48816 1024.98986
|
|
6100.0000 -125.49542 -118.51579 6.97963 2.76420 -119.80897 994.68357
|
|
6105.0000 -127.84988 -121.17262 6.67726 2.75225 -119.97964 1008.30226
|
|
6110.0000 -129.79051 -123.69816 6.09235 2.59473 -122.23014 934.45358
|
|
6115.0000 -127.97322 -122.44954 5.52367 2.49516 -123.65257 852.56686
|
|
6120.0000 -128.60140 -122.57481 6.02659 2.62285 -121.82833 930.27064
|
|
6125.0000 -129.55394 -122.65713 6.89680 2.56543 -122.64871 903.99327
|
|
6130.0000 -129.59611 -122.92661 6.66950 2.56418 -122.66650 903.83280
|
|
6135.0000 -130.67009 -123.69389 6.97619 2.53355 -123.10422 910.46497
|
|
6140.0000 -129.95026 -123.94588 6.00437 2.51393 -123.38444 870.43695
|
|
6145.0000 -128.05147 -122.06199 5.98949 2.59920 -122.16625 935.25800
|
|
6150.0000 -128.02811 -119.57014 8.45798 2.65327 -121.39374 967.16238
|
|
6155.0000 -127.21646 -119.69086 7.52560 2.75987 -119.87077 1065.01632
|
|
6160.0000 -127.59205 -120.88644 6.70561 2.73929 -120.16481 1066.27559
|
|
6165.0000 -127.65130 -120.01722 7.63409 2.70103 -120.71148 1008.81738
|
|
6170.0000 -127.41815 -121.46603 5.95212 2.69372 -120.81589 990.42140
|
|
6175.0000 -128.48383 -121.93407 6.54976 2.65500 -121.36906 982.10365
|
|
6180.0000 -128.13960 -121.95402 6.18557 2.55625 -122.77991 921.13548
|
|
6185.0000 -127.79495 -121.94444 5.85051 2.55927 -122.73668 899.36181
|
|
6190.0000 -129.33724 -122.22028 7.11697 2.60213 -122.12445 930.12012
|
|
6195.0000 -129.27051 -123.07502 6.19549 2.63364 -121.67421 937.28935
|
|
6200.0000 -128.66911 -123.17042 5.49870 2.57875 -122.45836 950.22991
|
|
6205.0000 -128.74594 -123.21417 5.53177 2.49709 -123.62509 852.99120
|
|
6210.0000 -129.70332 -123.19978 6.50354 2.57019 -122.58065 910.33618
|
|
6215.0000 -127.82022 -121.58058 6.23964 2.55262 -122.83174 882.95010
|
|
6220.0000 -127.43549 -121.07457 6.36092 2.67566 -121.07391 985.81690
|
|
6225.0000 -129.66143 -122.93184 6.72959 2.61458 -121.94657 943.35914
|
|
6230.0000 -130.20819 -124.99183 5.21636 2.50764 -123.47428 860.22372
|
|
6235.0000 -129.55035 -122.81423 6.73612 2.47199 -123.98359 848.10101
|
|
6240.0000 -128.56480 -122.15893 6.40587 2.53774 -123.04434 883.46882
|
|
6245.0000 -128.73531 -122.51584 6.21947 2.62147 -121.84808 927.86865
|
|
6250.0000 -128.82139 -123.71919 5.10220 2.55436 -122.80691 849.53667
|
|
MELTING PROCESS: loop number 26 T-loop= 965.00000000000000
|
|
main_MD> interactions number 26 at Temperature= 965.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.38292 -3.73251 -0.63567
|
|
force_rgl> df(natom) -1.83158 -3.00191 -1.66214
|
|
6255.0000 -129.50139 -123.58150 5.91989 2.49039 -123.72082 828.85125
|
|
6260.0000 -129.25367 -122.15998 7.09370 2.55646 -122.77688 894.93170
|
|
6265.0000 -128.31025 -121.48353 6.82672 2.62364 -121.81711 959.96362
|
|
6270.0000 -126.84166 -120.81176 6.02990 2.64905 -121.45406 963.21388
|
|
6275.0000 -127.94919 -120.61441 7.33478 2.67025 -121.15114 973.35505
|
|
6280.0000 -127.03717 -119.90226 7.13491 2.72266 -120.40240 1007.91186
|
|
6285.0000 -126.81642 -119.30533 7.51109 2.71822 -120.46578 1012.70634
|
|
6290.0000 -127.15595 -119.51914 7.63681 2.74709 -120.05335 1054.09953
|
|
6295.0000 -125.17075 -118.65271 6.51804 2.80298 -119.25498 1074.60806
|
|
6300.0000 -126.74439 -119.58282 7.16157 2.79138 -119.42071 1032.14274
|
|
6305.0000 -126.67652 -119.81447 6.86205 2.75653 -119.91854 996.37986
|
|
6310.0000 -127.48350 -121.48238 6.00112 2.71165 -120.55978 1021.77974
|
|
6315.0000 -128.79542 -121.10129 7.69412 2.68257 -120.97515 993.37541
|
|
6320.0000 -129.24640 -122.38133 6.86507 2.56145 -122.70556 906.13938
|
|
6325.0000 -128.03698 -121.29286 6.74412 2.63520 -121.65188 924.96935
|
|
6330.0000 -129.29665 -121.85766 7.43900 2.62218 -121.83799 951.76127
|
|
6335.0000 -128.91010 -121.77450 7.13560 2.60830 -122.03622 921.06316
|
|
6340.0000 -126.16932 -119.32368 6.84564 2.70511 -120.65320 1016.88990
|
|
6345.0000 -127.74750 -122.29045 5.45705 2.68295 -120.96978 1011.23471
|
|
6350.0000 -129.12257 -122.20807 6.91450 2.59662 -122.20307 950.23000
|
|
6355.0000 -129.06018 -122.63414 6.42604 2.52021 -123.29476 926.82304
|
|
6360.0000 -128.44703 -121.54175 6.90528 2.58907 -122.31095 945.18505
|
|
6365.0000 -127.90950 -120.84345 7.06605 2.72885 -120.31394 1014.84796
|
|
6370.0000 -127.97527 -120.91640 7.05888 2.63550 -121.64762 965.24561
|
|
6375.0000 -128.40644 -121.97605 6.43039 2.69188 -120.84223 1049.47847
|
|
6380.0000 -127.52557 -120.21128 7.31428 2.70213 -120.69571 1045.07438
|
|
6385.0000 -128.64328 -121.82085 6.82243 2.66049 -121.29062 1003.34186
|
|
6390.0000 -128.13120 -121.11388 7.01732 2.58486 -122.37110 916.90692
|
|
6395.0000 -127.84503 -121.57998 6.26505 2.61082 -122.00025 943.61822
|
|
6400.0000 -128.14377 -121.92920 6.21457 2.58724 -122.33708 932.54316
|
|
6405.0000 -129.53661 -122.27431 7.26230 2.59375 -122.24417 948.94312
|
|
6410.0000 -128.24291 -122.34751 5.89540 2.54861 -122.88906 895.71810
|
|
6415.0000 -126.45110 -118.66080 7.79031 2.67975 -121.01546 979.70871
|
|
6420.0000 -129.13349 -122.36657 6.76692 2.74498 -120.08353 998.50263
|
|
6425.0000 -128.44294 -122.81772 5.62522 2.61538 -121.93515 953.87189
|
|
6430.0000 -128.12672 -121.94196 6.18475 2.59146 -122.27677 902.05106
|
|
6435.0000 -128.61626 -121.00316 7.61310 2.63687 -121.62800 977.09682
|
|
6440.0000 -129.09485 -120.91698 8.17787 2.68337 -120.96368 1005.24998
|
|
6445.0000 -128.03499 -122.47063 5.56437 2.68429 -120.95060 1011.88762
|
|
6450.0000 -127.54850 -121.81596 5.73255 2.57308 -122.53944 875.22196
|
|
6455.0000 -126.64801 -120.93423 5.71378 2.63138 -121.70653 935.95007
|
|
6460.0000 -128.50712 -122.66670 5.84042 2.68366 -120.95953 1010.19291
|
|
6465.0000 -129.58270 -121.97085 7.61185 2.60141 -122.13466 938.49573
|
|
6470.0000 -127.37521 -121.20372 6.17149 2.59333 -122.25011 955.20801
|
|
6475.0000 -127.97002 -120.81963 7.15039 2.67356 -121.10386 1013.25303
|
|
6480.0000 -127.59891 -120.25140 7.34752 2.69329 -120.82196 990.97906
|
|
6485.0000 -128.38773 -122.59826 5.78946 2.66720 -121.19477 981.23284
|
|
6490.0000 -129.07761 -123.29315 5.78445 2.57965 -122.44561 893.39025
|
|
6495.0000 -128.93613 -122.22767 6.70846 2.51675 -123.34414 873.04753
|
|
6500.0000 -128.80437 -122.32479 6.47958 2.63441 -121.66319 983.30315
|
|
MELTING PROCESS: loop number 27 T-loop= 990.00000000000000
|
|
main_MD> interactions number 27 at Temperature= 990.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.03949 0.76520 -1.88147
|
|
force_rgl> df(natom) 1.16824 1.17432 1.97137
|
|
6505.0000 -127.68081 -120.31038 7.37043 2.66197 -121.26944 959.43252
|
|
6510.0000 -128.86654 -120.84788 8.01866 2.65561 -121.36040 951.01429
|
|
6515.0000 -129.39700 -121.86449 7.53251 2.65072 -121.43025 961.24207
|
|
6520.0000 -127.29008 -119.64633 7.64374 2.68360 -120.96039 972.69564
|
|
6525.0000 -126.90857 -118.80933 8.09924 2.78031 -119.57877 1019.97530
|
|
6530.0000 -128.00798 -120.82243 7.18555 2.79502 -119.36861 1095.03604
|
|
6535.0000 -126.61443 -120.01289 6.60154 2.72101 -120.42592 1040.23302
|
|
6540.0000 -127.12541 -119.38054 7.74487 2.75655 -119.91819 1057.52264
|
|
6545.0000 -127.28022 -119.96584 7.31438 2.75195 -119.98395 1048.20926
|
|
6550.0000 -127.99677 -119.60047 8.39629 2.73358 -120.24648 976.97848
|
|
6555.0000 -127.06705 -119.49858 7.56847 2.78055 -119.57535 1047.03351
|
|
6560.0000 -128.13122 -119.95474 8.17647 2.78331 -119.53599 1087.28730
|
|
6565.0000 -127.51751 -121.58871 5.92881 2.70836 -120.60669 1019.24178
|
|
6570.0000 -127.70397 -121.60304 6.10093 2.69450 -120.80473 1000.74709
|
|
6575.0000 -127.03894 -119.82076 7.21818 2.63629 -121.63641 954.84061
|
|
6580.0000 -128.47033 -120.88288 7.58746 2.77488 -119.65633 1051.35280
|
|
6585.0000 -127.77195 -122.01750 5.75445 2.66268 -121.25927 1004.38789
|
|
6590.0000 -129.25983 -122.53305 6.72679 2.52269 -123.25937 903.96372
|
|
6595.0000 -128.40943 -120.73950 7.66993 2.63487 -121.65658 986.31460
|
|
6600.0000 -128.68421 -119.17408 9.51012 2.76892 -119.74157 1034.36533
|
|
6605.0000 -128.32755 -120.15144 8.17611 2.82879 -118.88619 1081.99859
|
|
6610.0000 -126.28353 -119.29984 6.98370 2.79523 -119.36563 1058.19118
|
|
6615.0000 -127.17414 -119.90283 7.27130 2.76877 -119.74361 1068.85920
|
|
6620.0000 -126.24388 -120.18352 6.06036 2.75407 -119.95363 1020.88188
|
|
6625.0000 -128.06043 -120.79097 7.26945 2.76191 -119.84172 1043.73292
|
|
6630.0000 -129.00611 -122.09320 6.91291 2.62328 -121.82219 943.24329
|
|
6635.0000 -126.87289 -119.70292 7.16998 2.69250 -120.83334 1002.29757
|
|
6640.0000 -125.45678 -118.78360 6.67318 2.81252 -119.11867 1071.42961
|
|
6645.0000 -128.38748 -120.45847 7.92901 2.76932 -119.73575 1078.02152
|
|
6650.0000 -127.79016 -120.95395 6.83621 2.70638 -120.63497 1021.92492
|
|
6655.0000 -129.09395 -122.23738 6.85656 2.62119 -121.85207 933.90942
|
|
6660.0000 -129.01318 -122.35753 6.65565 2.56573 -122.64440 920.78206
|
|
6665.0000 -128.41398 -121.62958 6.78440 2.58369 -122.38777 901.73005
|
|
6670.0000 -128.72378 -122.24677 6.47700 2.60210 -122.12485 888.98923
|
|
6675.0000 -128.71748 -121.98487 6.73260 2.57148 -122.56225 921.18352
|
|
6680.0000 -129.04150 -122.21688 6.82461 2.56191 -122.69894 878.55104
|
|
6685.0000 -126.98665 -120.44650 6.54015 2.66132 -121.27881 940.58579
|
|
6690.0000 -127.71785 -119.48122 8.23664 2.79061 -119.43164 1056.08942
|
|
6695.0000 -129.83335 -122.41817 7.41518 2.66411 -121.23885 996.98913
|
|
6700.0000 -128.00415 -121.93266 6.07148 2.55654 -122.77570 903.96069
|
|
6705.0000 -124.74365 -117.74295 7.00070 2.76720 -119.76605 1061.23788
|
|
6710.0000 -125.68475 -117.63614 8.04861 2.85511 -118.51009 1138.87244
|
|
6715.0000 -127.18650 -119.98928 7.19722 2.84344 -118.67690 1076.10061
|
|
6720.0000 -127.57985 -121.41375 6.16609 2.66696 -121.19824 960.50501
|
|
6725.0000 -127.58322 -121.95801 5.62520 2.61229 -121.97922 931.22310
|
|
6730.0000 -129.00897 -122.93536 6.07361 2.59261 -122.26035 927.69294
|
|
6735.0000 -128.72115 -121.60823 7.11291 2.58958 -122.30365 895.52982
|
|
6740.0000 -129.02299 -122.39408 6.62891 2.66629 -121.20771 1015.83705
|
|
6745.0000 -127.59246 -119.52849 8.06396 2.70125 -120.70837 1013.19905
|
|
6750.0000 -127.68100 -120.78365 6.89735 2.78943 -119.44851 1028.44401
|
|
MELTING PROCESS: loop number 28 T-loop= 1015.0000000000000
|
|
main_MD> interactions number 28 at Temperature= 1015.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.66878 -2.16380 -1.20833
|
|
force_rgl> df(natom) 3.80159 -2.63077 0.83001
|
|
6755.0000 -128.77931 -121.53369 7.24563 2.66324 -121.25140 949.86561
|
|
6760.0000 -127.02292 -121.12416 5.89876 2.67583 -121.07140 1006.39212
|
|
6765.0000 -128.33045 -121.85504 6.47541 2.63548 -121.64795 936.44602
|
|
6770.0000 -129.06112 -122.60030 6.46081 2.60865 -122.03118 950.92255
|
|
6775.0000 -128.77624 -122.00525 6.77099 2.55498 -122.79807 919.61036
|
|
6780.0000 -129.12948 -122.07934 7.05014 2.57074 -122.57288 900.94618
|
|
6785.0000 -128.32820 -120.26518 8.06302 2.68791 -120.89891 1006.02255
|
|
6790.0000 -129.24252 -121.59513 7.64739 2.69726 -120.76527 984.92072
|
|
6795.0000 -128.07727 -121.68609 6.39117 2.64464 -121.51711 946.24073
|
|
6800.0000 -128.57634 -120.99086 7.58549 2.67707 -121.05376 1024.24685
|
|
6805.0000 -127.44232 -120.55304 6.88929 2.68644 -120.91988 990.77992
|
|
6810.0000 -125.79278 -118.81541 6.97737 2.75890 -119.88472 1068.67799
|
|
6815.0000 -125.90951 -118.64404 7.26547 2.81848 -119.03347 1066.55459
|
|
6820.0000 -125.73374 -119.37892 6.35483 2.76955 -119.73256 1036.81450
|
|
6825.0000 -128.10290 -119.46306 8.63984 2.75591 -119.92738 1065.14603
|
|
6830.0000 -127.76543 -119.87559 7.88984 2.75482 -119.94300 1069.08582
|
|
6835.0000 -128.16142 -121.20710 6.95433 2.69204 -120.83984 1050.99280
|
|
6840.0000 -128.49941 -122.01626 6.48315 2.66722 -121.19450 994.69208
|
|
6845.0000 -126.63074 -120.37869 6.25205 2.73376 -120.24391 1025.45888
|
|
6850.0000 -128.97212 -120.22976 8.74237 2.71500 -120.51184 1036.11824
|
|
6855.0000 -129.18790 -122.90842 6.27948 2.65575 -121.35832 963.88818
|
|
6860.0000 -127.51128 -122.09940 5.41189 2.57804 -122.46853 894.22279
|
|
6865.0000 -128.01233 -120.82820 7.18413 2.66987 -121.15659 980.87194
|
|
6870.0000 -125.15974 -118.46442 6.69532 2.78104 -119.56832 1038.03024
|
|
6875.0000 -126.24210 -120.26427 5.97783 2.84490 -118.65596 1080.04476
|
|
6880.0000 -127.13097 -119.36980 7.76117 2.72655 -120.34691 1017.08068
|
|
6885.0000 -127.73620 -121.12112 6.61508 2.73791 -120.18459 1026.66500
|
|
6890.0000 -128.79250 -122.32294 6.46956 2.63405 -121.66838 968.57885
|
|
6895.0000 -127.03572 -120.42069 6.61503 2.66767 -121.18797 980.72926
|
|
6900.0000 -127.85264 -120.88587 6.96677 2.72807 -120.32519 1001.28209
|
|
6905.0000 -128.53666 -121.04603 7.49063 2.63614 -121.63851 981.28702
|
|
6910.0000 -126.94840 -119.47991 7.46849 2.74075 -120.14393 1007.67752
|
|
6915.0000 -126.90278 -120.12042 6.78236 2.80060 -119.28898 1085.03644
|
|
6920.0000 -128.27122 -120.46730 7.80392 2.70634 -120.63555 1039.51841
|
|
6925.0000 -126.25701 -118.21521 8.04180 2.82265 -118.97391 1058.03659
|
|
6930.0000 -127.39179 -121.25552 6.13627 2.81433 -119.09281 1092.91143
|
|
6935.0000 -130.10739 -122.58467 7.52273 2.57545 -122.50551 904.56483
|
|
6940.0000 -128.51966 -120.93343 7.58623 2.72306 -120.39676 1028.42485
|
|
6945.0000 -126.22523 -118.77522 7.45002 2.74652 -120.06151 1047.60364
|
|
6950.0000 -126.89574 -119.92048 6.97526 2.73930 -120.16465 1027.16448
|
|
6955.0000 -125.50691 -117.62720 7.87970 2.86051 -118.43308 1141.59350
|
|
6960.0000 -127.91463 -121.23862 6.67600 2.74555 -120.07544 1008.67762
|
|
6965.0000 -127.51214 -121.29898 6.21316 2.67482 -121.08586 1018.87967
|
|
6970.0000 -128.36445 -121.14953 7.21492 2.66100 -121.28332 1009.85706
|
|
6975.0000 -126.58342 -118.77251 7.81091 2.76469 -119.80196 1082.30662
|
|
6980.0000 -126.53858 -118.63920 7.89938 2.87785 -118.18524 1158.52078
|
|
6985.0000 -126.55192 -119.67883 6.87310 2.73761 -120.18883 1017.23376
|
|
6990.0000 -126.56923 -119.24627 7.32296 2.77470 -119.65898 1048.05393
|
|
6995.0000 -127.32378 -118.94919 8.37459 2.81879 -119.02908 1085.32896
|
|
7000.0000 -127.46545 -120.75802 6.70744 2.75465 -119.94535 1054.50513
|
|
MELTING PROCESS: loop number 29 T-loop= 1040.0000000000000
|
|
main_MD> interactions number 29 at Temperature= 1040.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.03840 -4.56155 -6.81845
|
|
force_rgl> df(natom) 0.23725 -1.52096 0.41121
|
|
7005.0000 -127.03856 -120.14030 6.89826 2.75092 -119.99862 1018.94136
|
|
7010.0000 -126.68254 -119.46168 7.22086 2.70365 -120.67398 990.09806
|
|
7015.0000 -126.65631 -119.74284 6.91348 2.75618 -119.92348 1030.32908
|
|
7020.0000 -125.49109 -116.62263 8.86845 2.86725 -118.33678 1126.14677
|
|
7025.0000 -128.21447 -120.72733 7.48713 2.87101 -118.28304 1135.26971
|
|
7030.0000 -126.18889 -120.30289 5.88600 2.69499 -120.79776 998.03638
|
|
7035.0000 -126.61509 -117.82909 8.78599 2.84961 -118.58880 1111.20188
|
|
7040.0000 -126.56143 -118.59488 7.96655 2.93163 -117.41702 1166.14041
|
|
7045.0000 -124.45591 -117.53797 6.91794 2.87584 -118.21399 1120.63259
|
|
7050.0000 -127.73668 -120.00278 7.73390 2.88926 -118.02226 1119.18067
|
|
7055.0000 -127.19752 -118.10325 9.09427 2.87641 -118.20591 1117.77183
|
|
7060.0000 -127.16931 -120.15419 7.01512 2.88863 -118.03124 1167.65746
|
|
7065.0000 -128.32396 -121.54984 6.77412 2.67175 -121.12972 982.93733
|
|
7070.0000 -127.12846 -120.24667 6.88179 2.68005 -121.01112 1001.30180
|
|
7075.0000 -127.33830 -119.97692 7.36138 2.75314 -119.96702 1036.67022
|
|
7080.0000 -128.36830 -120.88617 7.48213 2.76851 -119.74735 1041.50784
|
|
7085.0000 -127.87868 -121.30834 6.57034 2.69354 -120.81843 1025.83067
|
|
7090.0000 -127.51143 -120.99557 6.51586 2.68330 -120.96479 1025.63084
|
|
7095.0000 -127.75603 -119.13803 8.61799 2.71255 -120.54689 1013.91670
|
|
7100.0000 -125.76941 -118.51896 7.25045 2.84774 -118.61543 1106.93663
|
|
7105.0000 -127.87782 -120.83986 7.03797 2.75519 -119.93762 1054.55108
|
|
7110.0000 -127.95750 -119.60255 8.35495 2.72939 -120.30630 1079.67042
|
|
7115.0000 -130.07349 -123.33273 6.74076 2.66395 -121.24124 989.80728
|
|
7120.0000 -129.12587 -123.04719 6.07867 2.53095 -123.14124 884.24409
|
|
7125.0000 -130.18776 -121.94575 8.24201 2.59439 -122.23500 916.82564
|
|
7130.0000 -127.21486 -118.59341 8.62145 2.74117 -120.13793 1069.41381
|
|
7135.0000 -127.04794 -119.58695 7.46099 2.79689 -119.34197 1060.94913
|
|
7140.0000 -127.20315 -119.70165 7.50150 2.81741 -119.04880 1082.96731
|
|
7145.0000 -126.78914 -119.42069 7.36844 2.85919 -118.45189 1159.37652
|
|
7150.0000 -127.29668 -119.70889 7.58779 2.73726 -120.19388 1031.19375
|
|
7155.0000 -126.18642 -119.38336 6.80306 2.73383 -120.24290 1020.16295
|
|
7160.0000 -126.22515 -120.38466 5.84050 2.76612 -119.78158 1050.58742
|
|
7165.0000 -128.08821 -120.71141 7.37681 2.71129 -120.56487 1004.01415
|
|
7170.0000 -128.66489 -120.91444 7.75045 2.68837 -120.89227 1023.36343
|
|
7175.0000 -127.85761 -120.53003 7.32758 2.68474 -120.94411 977.62097
|
|
7180.0000 -127.38256 -118.45449 8.92807 2.72827 -120.32229 1024.02268
|
|
7185.0000 -126.76811 -119.32590 7.44220 2.83642 -118.77724 1094.34109
|
|
7190.0000 -126.17613 -118.10360 8.07253 2.79746 -119.33381 1073.27425
|
|
7195.0000 -128.59331 -120.88242 7.71089 2.78421 -119.52306 1122.45799
|
|
7200.0000 -127.71419 -120.90554 6.80865 2.62141 -121.84896 937.41444
|
|
7205.0000 -126.97120 -119.63276 7.33844 2.73922 -120.16582 987.03390
|
|
7210.0000 -127.03405 -120.18166 6.85240 2.77885 -119.59971 1091.57059
|
|
7215.0000 -127.93600 -121.71222 6.22378 2.69940 -120.73479 993.44732
|
|
7220.0000 -128.69345 -121.26338 7.43007 2.66501 -121.22603 992.58554
|
|
7225.0000 -125.68012 -118.30257 7.37755 2.78785 -119.47109 1075.21225
|
|
7230.0000 -125.83756 -117.28899 8.54857 2.88562 -118.07431 1141.24235
|
|
7235.0000 -126.86428 -120.39744 6.46684 2.77679 -119.62909 1033.58736
|
|
7240.0000 -127.12635 -120.17147 6.95488 2.69646 -120.77668 991.63737
|
|
7245.0000 -127.82744 -120.42418 7.40326 2.75234 -119.97842 1035.30111
|
|
7250.0000 -128.82113 -120.99508 7.82605 2.68912 -120.88153 998.22406
|
|
MELTING PROCESS: loop number 30 T-loop= 1065.0000000000000
|
|
main_MD> interactions number 30 at Temperature= 1065.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.57325 -0.73443 -2.83923
|
|
force_rgl> df(natom) -0.35333 -0.66686 1.72284
|
|
7255.0000 -126.69086 -119.84765 6.84320 2.66159 -121.27497 1000.29065
|
|
7260.0000 -127.50354 -119.01233 8.49122 2.77606 -119.63949 1025.48236
|
|
7265.0000 -125.61596 -118.49228 7.12368 2.82779 -118.90045 1116.52164
|
|
7270.0000 -123.30867 -116.26261 7.04606 2.84751 -118.61880 1105.95365
|
|
7275.0000 -126.74525 -120.30227 6.44298 2.95682 -117.05705 1121.17643
|
|
7280.0000 -127.61465 -121.52948 6.08517 2.70492 -120.65583 1001.77292
|
|
7285.0000 -127.94068 -119.69788 8.24280 2.70661 -120.63174 1019.42395
|
|
7290.0000 -126.59481 -119.51307 7.08174 2.70493 -120.65566 1022.21983
|
|
7295.0000 -128.90287 -119.57424 9.32863 2.81921 -119.02301 1103.80550
|
|
7300.0000 -126.25353 -118.57516 7.67836 2.77726 -119.62237 1040.26084
|
|
7305.0000 -125.50206 -117.98515 7.51691 2.89021 -118.00864 1140.55051
|
|
7310.0000 -128.53851 -120.27134 8.26717 2.76354 -119.81844 1039.56906
|
|
7315.0000 -126.58174 -117.75092 8.83082 2.81092 -119.14150 1068.25122
|
|
7320.0000 -126.10337 -118.74747 7.35590 2.88895 -118.02673 1143.81671
|
|
7325.0000 -125.47656 -117.91745 7.55911 2.88959 -118.01762 1134.49130
|
|
7330.0000 -126.93930 -119.17216 7.76713 2.83671 -118.77310 1110.27651
|
|
7335.0000 -125.11535 -119.04353 6.07182 2.80180 -119.27179 1054.38909
|
|
7340.0000 -124.00358 -117.63139 6.37219 2.84612 -118.63858 1080.54290
|
|
7345.0000 -127.14918 -119.82442 7.32476 2.88148 -118.13339 1122.12416
|
|
7350.0000 -126.41928 -118.52582 7.89346 2.79067 -119.43075 1057.44420
|
|
7355.0000 -129.19519 -121.00070 8.19448 2.74209 -120.12483 1045.44675
|
|
7360.0000 -128.57454 -121.18808 7.38646 2.64657 -121.48955 970.08643
|
|
7365.0000 -127.84777 -121.01086 6.83691 2.67116 -121.13819 1011.57065
|
|
7370.0000 -126.24892 -119.50032 6.74860 2.68491 -120.94175 1010.58031
|
|
7375.0000 -128.17063 -122.42131 5.74932 2.74480 -120.08617 1020.89855
|
|
7380.0000 -128.40710 -122.43012 5.97698 2.59268 -122.25934 931.08318
|
|
7385.0000 -128.24606 -122.41261 5.83345 2.54645 -122.91993 857.09804
|
|
7390.0000 -128.90490 -120.90476 8.00013 2.61761 -121.90330 929.44163
|
|
7395.0000 -126.97030 -119.33322 7.63708 2.69164 -120.84559 992.59358
|
|
7400.0000 -126.48908 -118.38759 8.10149 2.84701 -118.62582 1138.13636
|
|
7405.0000 -127.85730 -120.72059 7.13671 2.80831 -119.17879 1091.37793
|
|
7410.0000 -128.83518 -122.10941 6.72577 2.67657 -121.06085 1032.37655
|
|
7415.0000 -127.35600 -121.35415 6.00185 2.65331 -121.39322 968.74630
|
|
7420.0000 -127.47902 -120.12585 7.35317 2.69010 -120.86765 1016.06142
|
|
7425.0000 -126.22949 -119.60605 6.62344 2.76606 -119.78245 1042.50500
|
|
7430.0000 -128.10332 -120.24778 7.85554 2.78663 -119.48847 1062.27877
|
|
7435.0000 -128.27477 -121.07223 7.20254 2.71183 -120.55719 1044.43988
|
|
7440.0000 -129.74816 -121.88683 7.86133 2.59652 -122.20448 944.56358
|
|
7445.0000 -128.42966 -121.74449 6.68517 2.62315 -121.82407 965.65641
|
|
7450.0000 -127.84203 -120.82837 7.01366 2.61614 -121.92416 983.75212
|
|
7455.0000 -128.01776 -120.46604 7.55172 2.77103 -119.71143 1054.72093
|
|
7460.0000 -127.45727 -119.56752 7.88975 2.77643 -119.63423 1069.64723
|
|
7465.0000 -127.72258 -120.64742 7.07516 2.74735 -120.04971 1075.49685
|
|
7470.0000 -127.26178 -119.94979 7.31199 2.71710 -120.48185 1045.93485
|
|
7475.0000 -126.12299 -119.59351 6.52948 2.78931 -119.45026 1040.13135
|
|
7480.0000 -126.89850 -120.48588 6.41262 2.80825 -119.17957 1050.29117
|
|
7485.0000 -126.90704 -120.02723 6.87982 2.69088 -120.85645 981.37766
|
|
7490.0000 -127.10565 -120.26898 6.83667 2.79160 -119.41748 1088.31389
|
|
7495.0000 -127.76088 -120.41246 7.34841 2.71379 -120.52920 1011.66804
|
|
7500.0000 -127.24996 -120.69380 6.55616 2.77961 -119.58883 1083.29127
|
|
MELTING PROCESS: loop number 31 T-loop= 1090.0000000000000
|
|
main_MD> interactions number 31 at Temperature= 1090.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.07129 2.00025 -0.62259
|
|
force_rgl> df(natom) 3.16058 -0.33540 3.39538
|
|
7505.0000 -127.18063 -121.04089 6.13974 2.69792 -120.75582 981.46121
|
|
7510.0000 -126.85026 -118.13053 8.71973 2.80293 -119.25570 1100.79857
|
|
7515.0000 -126.97038 -119.57166 7.39872 2.89014 -118.00972 1149.23606
|
|
7520.0000 -127.76800 -120.33835 7.42965 2.76531 -119.79309 1021.96920
|
|
7525.0000 -126.40902 -118.65169 7.75732 2.78928 -119.45062 1048.71716
|
|
7530.0000 -126.94268 -119.66498 7.27770 2.83148 -118.84780 1108.14819
|
|
7535.0000 -126.07334 -118.91383 7.15951 2.79994 -119.29831 1067.73366
|
|
7540.0000 -125.67842 -118.64425 7.03417 2.81269 -119.11616 1052.88343
|
|
7545.0000 -126.47809 -117.47517 9.00292 2.89436 -117.94942 1143.23793
|
|
7550.0000 -125.83225 -118.31264 7.51961 2.87064 -118.28822 1109.60042
|
|
7555.0000 -126.07247 -119.93943 6.13305 2.73714 -120.19559 1029.00570
|
|
7560.0000 -126.94711 -119.99895 6.94816 2.78487 -119.51369 1060.23712
|
|
7565.0000 -126.82244 -117.52827 9.29417 2.88186 -118.12803 1135.83738
|
|
7570.0000 -126.96474 -117.53607 9.42867 2.89410 -117.95315 1168.31368
|
|
7575.0000 -126.67152 -117.86039 8.81114 2.97549 -116.79039 1191.08167
|
|
7580.0000 -125.06459 -119.27714 5.78745 2.83898 -118.74066 1110.60675
|
|
7585.0000 -126.68742 -119.10849 7.57892 2.79643 -119.34846 1050.23630
|
|
7590.0000 -126.16001 -119.14415 7.01586 2.80161 -119.27453 1081.05302
|
|
7595.0000 -125.48441 -117.27200 8.21241 2.85657 -118.48925 1125.35949
|
|
7600.0000 -125.59014 -117.22008 8.37005 3.03356 -115.96067 1246.99385
|
|
7605.0000 -127.68885 -119.68435 8.00450 2.84109 -118.71049 1093.15291
|
|
7610.0000 -125.74492 -116.44331 9.30161 2.90137 -117.84933 1158.12459
|
|
7615.0000 -126.82525 -119.14948 7.67576 2.84677 -118.62933 1104.37826
|
|
7620.0000 -128.00762 -119.20852 8.79910 2.81944 -119.01976 1128.53751
|
|
7625.0000 -126.88342 -119.64938 7.23404 2.82247 -118.97649 1085.07716
|
|
7630.0000 -125.84144 -118.93202 6.90942 2.82911 -118.88157 1106.04236
|
|
7635.0000 -127.28519 -118.90282 8.38237 2.79320 -119.39461 1075.66402
|
|
7640.0000 -127.84537 -119.82993 8.01545 2.80906 -119.16813 1068.26585
|
|
7645.0000 -125.13719 -117.84179 7.29540 2.86362 -118.38858 1131.74059
|
|
7650.0000 -126.67997 -119.09316 7.58681 2.80808 -119.18207 1130.45107
|
|
7655.0000 -125.66002 -118.86508 6.79493 2.83322 -118.82285 1104.10683
|
|
7660.0000 -124.38420 -117.22365 7.16055 2.91826 -117.60793 1163.04431
|
|
7665.0000 -126.52022 -119.10225 7.41797 2.91572 -117.64423 1153.54407
|
|
7670.0000 -126.91043 -118.63996 8.27047 2.78930 -119.45041 1023.05170
|
|
7675.0000 -126.90376 -118.67609 8.22767 2.86566 -118.35948 1135.00913
|
|
7680.0000 -128.21103 -120.60513 7.60591 2.79206 -119.41096 1101.28765
|
|
7685.0000 -128.41734 -119.34233 9.07501 2.69429 -120.80777 1004.61923
|
|
7690.0000 -126.89403 -119.92427 6.96976 2.75683 -119.91427 1058.73507
|
|
7695.0000 -126.82052 -119.01196 7.80856 2.81322 -119.10860 1075.79685
|
|
7700.0000 -126.80207 -119.11554 7.68653 2.84772 -118.61569 1126.24471
|
|
7705.0000 -125.52584 -117.92367 7.60217 2.87209 -118.26756 1129.86715
|
|
7710.0000 -126.49913 -118.39823 8.10090 2.88401 -118.09722 1129.37158
|
|
7715.0000 -124.72485 -116.55232 8.17253 2.89380 -117.95748 1168.64912
|
|
7720.0000 -126.92464 -117.85477 9.06987 2.95220 -117.12305 1208.81317
|
|
7725.0000 -127.85845 -119.02173 8.83672 2.83895 -118.74104 1123.29171
|
|
7730.0000 -125.12874 -117.80993 7.31881 2.91986 -117.58509 1170.89084
|
|
7735.0000 -126.80508 -119.53818 7.26690 2.88055 -118.14671 1152.37970
|
|
7740.0000 -128.47060 -120.20680 8.26380 2.77876 -119.60098 1075.47561
|
|
7745.0000 -127.37172 -119.77655 7.59517 2.77139 -119.70617 1064.64409
|
|
7750.0000 -127.04415 -119.71689 7.32725 2.80295 -119.25539 1053.08230
|
|
MELTING PROCESS: loop number 32 T-loop= 1115.0000000000000
|
|
main_MD> interactions number 32 at Temperature= 1115.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 9.91763 -0.89191 -7.70475
|
|
force_rgl> df(natom) 2.42877 0.24494 -2.68848
|
|
7755.0000 -126.83484 -119.20522 7.62962 2.93202 -117.41142 1180.52725
|
|
7760.0000 -126.93458 -119.35604 7.57854 2.78707 -119.48226 1083.56310
|
|
7765.0000 -125.86647 -118.98143 6.88504 2.80314 -119.25267 1092.33097
|
|
7770.0000 -125.99290 -117.92358 8.06932 2.85178 -118.55772 1134.87271
|
|
7775.0000 -126.41137 -118.30362 8.10775 2.96261 -116.97429 1205.61730
|
|
7780.0000 -126.00146 -117.87074 8.13072 2.87332 -118.25005 1120.14209
|
|
7785.0000 -125.99615 -118.19218 7.80397 2.92303 -117.53987 1170.34923
|
|
7790.0000 -126.27870 -118.58656 7.69214 2.87097 -118.28351 1149.45349
|
|
7795.0000 -127.05139 -119.16200 7.88940 2.89385 -117.95668 1171.41718
|
|
7800.0000 -127.48511 -118.39237 9.09273 2.83337 -118.82069 1141.15664
|
|
7805.0000 -127.71305 -118.17438 9.53867 2.85633 -118.49275 1162.42505
|
|
7810.0000 -126.64234 -118.76056 7.88179 2.85883 -118.45703 1141.47071
|
|
7815.0000 -128.26400 -118.51242 9.75158 2.84471 -118.65867 1111.44587
|
|
7820.0000 -127.32114 -120.75411 6.56703 2.76774 -119.75838 1072.08465
|
|
7825.0000 -127.59671 -119.21005 8.38666 2.70637 -120.63517 1005.93838
|
|
7830.0000 -128.53669 -121.52488 7.01181 2.71881 -120.45746 1048.81315
|
|
7835.0000 -128.23291 -120.95937 7.27353 2.67962 -121.01725 984.92244
|
|
7840.0000 -127.57494 -120.48418 7.09076 2.69216 -120.83814 1022.52882
|
|
7845.0000 -127.90277 -118.45302 9.44976 2.80517 -119.22360 1070.30838
|
|
7850.0000 -127.61045 -120.61455 6.99589 2.78978 -119.44348 1106.95705
|
|
7855.0000 -128.54805 -122.65051 5.89754 2.63335 -121.67838 945.96791
|
|
7860.0000 -127.79895 -120.98813 6.81082 2.63340 -121.67761 964.74343
|
|
7865.0000 -128.53881 -122.08862 6.45019 2.63773 -121.61572 976.30954
|
|
7870.0000 -127.00916 -119.97561 7.03355 2.73427 -120.23657 1046.83909
|
|
7875.0000 -127.10687 -118.70719 8.39967 2.80933 -119.16416 1095.85427
|
|
7880.0000 -126.96739 -120.09623 6.87116 2.74459 -120.08914 1023.46423
|
|
7885.0000 -127.22906 -119.75031 7.47875 2.79700 -119.34033 1071.03593
|
|
7890.0000 -127.71528 -119.64453 8.07075 2.80244 -119.26262 1108.10468
|
|
7895.0000 -127.02440 -118.31290 8.71150 2.84259 -118.68905 1061.03733
|
|
7900.0000 -127.01025 -119.48548 7.52478 2.83509 -118.79621 1096.56080
|
|
7905.0000 -127.75567 -120.69102 7.06465 2.75293 -119.97003 1055.90397
|
|
7910.0000 -126.92513 -118.88029 8.04484 2.77668 -119.63068 1045.98925
|
|
7915.0000 -128.02167 -120.61192 7.40975 2.72766 -120.33092 995.59183
|
|
7920.0000 -128.02040 -120.18356 7.83684 2.83328 -118.82198 1136.04180
|
|
7925.0000 -126.00118 -119.37220 6.62898 2.82503 -118.93984 1063.48803
|
|
7930.0000 -128.24667 -119.97213 8.27454 2.76247 -119.83367 1033.04916
|
|
7935.0000 -127.29186 -119.95362 7.33824 2.73826 -120.17951 1039.70569
|
|
7940.0000 -126.72990 -119.15581 7.57409 2.78191 -119.55599 1040.54150
|
|
7945.0000 -127.33201 -120.17106 7.16095 2.79246 -119.40514 1066.85256
|
|
7950.0000 -127.21469 -118.87301 8.34168 2.80569 -119.21623 1085.25012
|
|
7955.0000 -126.33949 -118.74228 7.59720 2.83541 -118.79158 1126.20759
|
|
7960.0000 -127.02215 -119.40682 7.61533 2.92598 -117.49763 1210.24625
|
|
7965.0000 -128.69050 -120.11290 8.57759 2.71812 -120.46727 1026.30767
|
|
7970.0000 -125.14505 -116.93754 8.20751 2.90102 -117.85432 1160.39650
|
|
7975.0000 -125.63456 -117.56513 8.06944 2.90306 -117.82513 1135.82137
|
|
7980.0000 -125.76189 -116.42137 9.34052 2.95684 -117.05683 1233.14430
|
|
7985.0000 -124.23422 -116.07622 8.15800 3.00388 -116.38479 1207.42273
|
|
7990.0000 -126.79261 -118.63965 8.15297 2.89290 -117.97024 1128.57012
|
|
7995.0000 -124.43610 -117.24787 7.18824 2.87696 -118.19794 1117.89002
|
|
8000.0000 -127.07471 -118.54839 8.52632 2.91992 -117.58418 1167.05600
|
|
MELTING PROCESS: loop number 33 T-loop= 1140.0000000000000
|
|
main_MD> interactions number 33 at Temperature= 1140.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.38306 1.35009 1.22602
|
|
force_rgl> df(natom) -1.09814 -0.40291 -1.30342
|
|
8005.0000 -127.07474 -119.04311 8.03163 2.83502 -118.79714 1084.94062
|
|
8010.0000 -125.58408 -117.01372 8.57036 2.86432 -118.37862 1095.94786
|
|
8015.0000 -125.80588 -118.15104 7.65484 2.98704 -116.62527 1210.82544
|
|
8020.0000 -126.57270 -119.29963 7.27306 2.78200 -119.55460 1061.42255
|
|
8025.0000 -125.80322 -117.87383 7.92939 2.81827 -119.03651 1044.20339
|
|
8030.0000 -127.13182 -117.52608 9.60575 2.92101 -117.56869 1202.91648
|
|
8035.0000 -125.89907 -118.20182 7.69725 2.93065 -117.43097 1185.93023
|
|
8040.0000 -125.67788 -119.32046 6.35742 2.82629 -118.92194 1082.45797
|
|
8045.0000 -127.69296 -120.77474 6.91822 2.75663 -119.91709 1037.19197
|
|
8050.0000 -126.59043 -119.55212 7.03832 2.78947 -119.44792 1060.56203
|
|
8055.0000 -127.70728 -120.11370 7.59357 2.78746 -119.47661 1062.43579
|
|
8060.0000 -127.05829 -119.16537 7.89291 2.84130 -118.70742 1175.02504
|
|
8065.0000 -125.15704 -116.87461 8.28243 2.87299 -118.25465 1140.68356
|
|
8070.0000 -127.45264 -117.80166 9.65098 2.92148 -117.56189 1158.33597
|
|
8075.0000 -125.04038 -117.68944 7.35094 2.82750 -118.90461 1115.18508
|
|
8080.0000 -125.06059 -116.64256 8.41804 2.97774 -116.75814 1209.61941
|
|
8085.0000 -125.07068 -118.28896 6.78172 2.93523 -117.36557 1157.91530
|
|
8090.0000 -125.64072 -116.14109 9.49963 2.93056 -117.43219 1215.43858
|
|
8095.0000 -126.28319 -119.06673 7.21647 2.86450 -118.37594 1138.96611
|
|
8100.0000 -125.28407 -118.98061 6.30346 2.83864 -118.74546 1107.94676
|
|
8105.0000 -125.57916 -117.26792 8.31123 2.83456 -118.80375 1114.91950
|
|
8110.0000 -125.48038 -117.73154 7.74884 2.85780 -118.47171 1160.45923
|
|
8115.0000 -126.07264 -117.14735 8.92529 2.93922 -117.30853 1198.06862
|
|
8120.0000 -126.05693 -118.85910 7.19784 2.88883 -118.02836 1153.86508
|
|
8125.0000 -127.81793 -120.44298 7.37495 2.73466 -120.23101 1050.50903
|
|
8130.0000 -126.58656 -116.07856 10.50800 2.91637 -117.63495 1167.26803
|
|
8135.0000 -127.78463 -120.18102 7.60361 2.87584 -118.21403 1136.70201
|
|
8140.0000 -127.76663 -120.43745 7.32918 2.70446 -120.66251 1044.74117
|
|
8145.0000 -126.80474 -120.10759 6.69715 2.72814 -120.32406 1043.35028
|
|
8150.0000 -127.45256 -120.32009 7.13246 2.70299 -120.68342 1019.60024
|
|
8155.0000 -127.37495 -119.49493 7.88002 2.72634 -120.34990 1013.29223
|
|
8160.0000 -127.48571 -121.07775 6.40796 2.70629 -120.63632 1020.12378
|
|
8165.0000 -128.88308 -120.92595 7.95713 2.71842 -120.46298 1038.70272
|
|
8170.0000 -126.15372 -117.88974 8.26397 2.81519 -119.08051 1062.42248
|
|
8175.0000 -126.24040 -117.86473 8.37567 2.89086 -117.99944 1129.58999
|
|
8180.0000 -125.86170 -118.25855 7.60315 2.84022 -118.72289 1094.76959
|
|
8185.0000 -126.12833 -117.19601 8.93232 2.89871 -117.88731 1149.21346
|
|
8190.0000 -126.76552 -119.22432 7.54120 2.84126 -118.70801 1084.68764
|
|
8195.0000 -126.53562 -118.86227 7.67335 2.79741 -119.33444 1039.06433
|
|
8200.0000 -125.38620 -117.44338 7.94281 2.91923 -117.59414 1163.85315
|
|
8205.0000 -125.82058 -118.35868 7.46190 2.92731 -117.47863 1194.34560
|
|
8210.0000 -125.35933 -116.98603 8.37330 2.88065 -118.14523 1138.52691
|
|
8215.0000 -125.48042 -116.75172 8.72870 2.96356 -116.96080 1176.90986
|
|
8220.0000 -123.82253 -114.45477 9.36775 3.03707 -115.91062 1252.70254
|
|
8225.0000 -125.51180 -117.01631 8.49549 3.06994 -115.44100 1255.42635
|
|
8230.0000 -125.19779 -116.66911 8.52868 2.96033 -117.00696 1168.78762
|
|
8235.0000 -125.76336 -117.91945 7.84391 2.90572 -117.78706 1169.72392
|
|
8240.0000 -127.08099 -120.50729 6.57370 2.84689 -118.62754 1094.66471
|
|
8245.0000 -125.86211 -117.95373 7.90839 2.78479 -119.51478 1088.51871
|
|
8250.0000 -125.42903 -118.63626 6.79277 2.82841 -118.89163 1101.24964
|
|
MELTING PROCESS: loop number 34 T-loop= 1165.0000000000000
|
|
main_MD> interactions number 34 at Temperature= 1165.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -4.03980 -3.71844 0.62291
|
|
force_rgl> df(natom) 1.93947 -0.39714 -2.49469
|
|
8255.0000 -126.09281 -120.93612 5.15670 2.80877 -119.17220 1080.68548
|
|
8260.0000 -127.38497 -119.75272 7.63225 2.72080 -120.42895 1025.57755
|
|
8265.0000 -125.70425 -117.10162 8.60263 2.86729 -118.33621 1149.35933
|
|
8270.0000 -125.46516 -117.72812 7.73704 2.89952 -117.87573 1164.68816
|
|
8275.0000 -125.10013 -116.13956 8.96057 2.92129 -117.56470 1158.32311
|
|
8280.0000 -126.74323 -118.43774 8.30550 2.96751 -116.90436 1197.99395
|
|
8285.0000 -126.32489 -117.85013 8.47476 2.87456 -118.23230 1139.41970
|
|
8290.0000 -125.65897 -117.28625 8.37272 2.91539 -117.64901 1190.05149
|
|
8295.0000 -127.52509 -118.43107 9.09403 2.93319 -117.39468 1175.82509
|
|
8300.0000 -127.11918 -119.00073 8.11845 2.83974 -118.72968 1118.25562
|
|
8305.0000 -126.82668 -118.38626 8.44042 2.84624 -118.63695 1114.64969
|
|
8310.0000 -126.72704 -119.17046 7.55657 2.85468 -118.51635 1126.14916
|
|
8315.0000 -125.17242 -117.15092 8.02149 2.91466 -117.65934 1203.31548
|
|
8320.0000 -126.20707 -117.59148 8.61559 2.97472 -116.80128 1192.13138
|
|
8325.0000 -125.24977 -117.05795 8.19182 2.90501 -117.79731 1194.24508
|
|
8330.0000 -125.61516 -117.10397 8.51118 2.97577 -116.78633 1235.01009
|
|
8335.0000 -125.00623 -117.71925 7.28698 2.92736 -117.47792 1213.43956
|
|
8340.0000 -124.56062 -116.52064 8.03998 2.94185 -117.27097 1191.25550
|
|
8345.0000 -127.58668 -119.03203 8.55465 2.93138 -117.42052 1172.01670
|
|
8350.0000 -125.42986 -117.40822 8.02164 2.95737 -117.04916 1149.68257
|
|
8355.0000 -124.62819 -116.60239 8.02580 2.97418 -116.80899 1208.07431
|
|
8360.0000 -123.26903 -115.45835 7.81068 3.03648 -115.91904 1198.83502
|
|
8365.0000 -126.16515 -117.37915 8.78600 2.96474 -116.94397 1210.31227
|
|
8370.0000 -126.12313 -118.51438 7.60875 2.89517 -117.93779 1217.61993
|
|
8375.0000 -127.04160 -117.37614 9.66547 2.92683 -117.48552 1158.71623
|
|
8380.0000 -125.91733 -117.80244 8.11488 2.91122 -117.70850 1207.19935
|
|
8385.0000 -124.84864 -117.54776 7.30088 2.93371 -117.38723 1181.56046
|
|
8390.0000 -126.97971 -119.15811 7.82160 2.80877 -119.17216 1085.16231
|
|
8395.0000 -125.67363 -116.99327 8.68036 2.90377 -117.81504 1171.56330
|
|
8400.0000 -126.85784 -118.62585 8.23199 2.84829 -118.60764 1130.04488
|
|
8405.0000 -124.46421 -115.34674 9.11747 2.94932 -117.16428 1199.48181
|
|
8410.0000 -125.96731 -116.85726 9.11004 2.98942 -116.59135 1231.63968
|
|
8415.0000 -122.91724 -114.52595 8.39129 3.06515 -115.50936 1293.87092
|
|
8420.0000 -124.23208 -114.85678 9.37530 3.13637 -114.49195 1370.59784
|
|
8425.0000 -123.99505 -115.93979 8.05526 3.09380 -115.10011 1281.99982
|
|
8430.0000 -125.98281 -118.03155 7.95126 2.99182 -116.55697 1230.88548
|
|
8435.0000 -125.48928 -117.21918 8.27011 2.93349 -117.39033 1168.98887
|
|
8440.0000 -125.78152 -118.22742 7.55410 2.83846 -118.74802 1108.68965
|
|
8445.0000 -126.09991 -118.74057 7.35933 2.87678 -118.20061 1106.47803
|
|
8450.0000 -125.70139 -118.78536 6.91604 2.80933 -119.16414 1067.86744
|
|
8455.0000 -126.08632 -117.80218 8.28414 2.89899 -117.88324 1142.55108
|
|
8460.0000 -125.24519 -117.74783 7.49736 2.92856 -117.46081 1131.06346
|
|
8465.0000 -126.39656 -117.96639 8.43017 2.91807 -117.61061 1145.53649
|
|
8470.0000 -123.49559 -115.37499 8.12060 3.01416 -116.23785 1271.98034
|
|
8475.0000 -126.19765 -116.60617 9.59149 3.01518 -116.22327 1218.87678
|
|
8480.0000 -124.39037 -115.29659 9.09378 3.03665 -115.91654 1250.21188
|
|
8485.0000 -126.20159 -117.10101 9.10057 2.94255 -117.26098 1214.93517
|
|
8490.0000 -125.08654 -117.74988 7.33666 2.98675 -116.62948 1262.74856
|
|
8495.0000 -126.58248 -118.70498 7.87750 2.78579 -119.50044 1018.76598
|
|
8500.0000 -126.12279 -117.89137 8.23142 2.90901 -117.74017 1128.68698
|
|
MELTING PROCESS: loop number 35 T-loop= 1190.0000000000000
|
|
main_MD> interactions number 35 at Temperature= 1190.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.09902 1.30282 -0.55348
|
|
force_rgl> df(natom) 4.71544 -1.27728 -1.24916
|
|
8505.0000 -125.27786 -116.63208 8.64578 3.01954 -116.16096 1247.61132
|
|
8510.0000 -125.83662 -117.30126 8.53536 3.00846 -116.31935 1230.33531
|
|
8515.0000 -125.55070 -118.27108 7.27963 2.91480 -117.65733 1156.06586
|
|
8520.0000 -125.48446 -117.95198 7.53248 2.98500 -116.65450 1212.41589
|
|
8525.0000 -126.25136 -118.48970 7.76167 2.87730 -118.19321 1144.04390
|
|
8530.0000 -125.79923 -117.45394 8.34529 2.90358 -117.81766 1150.73255
|
|
8535.0000 -127.00906 -119.29319 7.71587 2.83970 -118.73027 1123.10885
|
|
8540.0000 -125.23634 -116.89129 8.34504 2.87642 -118.20571 1129.58872
|
|
8545.0000 -125.59610 -117.77290 7.82320 2.90632 -117.77853 1199.17284
|
|
8550.0000 -125.69199 -116.71773 8.97426 2.95361 -117.10296 1183.79590
|
|
8555.0000 -124.41160 -116.22182 8.18977 3.03849 -115.89024 1222.73975
|
|
8560.0000 -124.93088 -115.45524 9.47564 3.06505 -115.51076 1284.96233
|
|
8565.0000 -124.00226 -115.35886 8.64339 3.05390 -115.67008 1263.67905
|
|
8570.0000 -123.14441 -114.40370 8.74071 3.11051 -114.86139 1261.81080
|
|
8575.0000 -124.75645 -115.04685 9.70959 3.02839 -116.03464 1251.66989
|
|
8580.0000 -123.36133 -113.44856 9.91277 3.17648 -113.91881 1313.82633
|
|
8585.0000 -125.16706 -114.93418 10.23287 3.11735 -114.76360 1279.10828
|
|
8590.0000 -123.70139 -113.77293 9.92846 3.06008 -115.58178 1236.75797
|
|
8595.0000 -126.22074 -118.21170 8.00904 3.03636 -115.92068 1253.93132
|
|
8600.0000 -123.93633 -116.26013 7.67620 2.93080 -117.42886 1150.16669
|
|
8605.0000 -125.09575 -117.45558 7.64016 2.97604 -116.78252 1230.64208
|
|
8610.0000 -125.18257 -117.55089 7.63168 2.88847 -118.03355 1173.52752
|
|
8615.0000 -125.60386 -116.52370 9.08016 2.92078 -117.57197 1154.68485
|
|
8620.0000 -126.63350 -117.38796 9.24554 3.03784 -115.89953 1250.92736
|
|
8625.0000 -126.31270 -117.10851 9.20420 2.95472 -117.08703 1210.89144
|
|
8630.0000 -126.40161 -119.01614 7.38547 2.94628 -117.20766 1139.15810
|
|
8635.0000 -125.65972 -117.18832 8.47139 2.85922 -118.45138 1112.43084
|
|
8640.0000 -123.66223 -115.37983 8.28239 2.97675 -116.77232 1232.34831
|
|
8645.0000 -127.93654 -116.94901 10.98753 2.98043 -116.71980 1185.29010
|
|
8650.0000 -125.34209 -116.77334 8.56875 2.97809 -116.75319 1203.87327
|
|
8655.0000 -124.57306 -115.72329 8.84977 3.02043 -116.14826 1214.16881
|
|
8660.0000 -125.51562 -117.48958 8.02605 2.97850 -116.74733 1217.30414
|
|
8665.0000 -124.89939 -116.81394 8.08545 2.97384 -116.81388 1213.74520
|
|
8670.0000 -125.20191 -114.14703 11.05488 3.07574 -115.35814 1240.67167
|
|
8675.0000 -123.72761 -116.74130 6.98631 3.05600 -115.64009 1236.01299
|
|
8680.0000 -124.35945 -115.69658 8.66286 3.04061 -115.86000 1222.02695
|
|
8685.0000 -126.82145 -117.34592 9.47553 2.95659 -117.06038 1163.03759
|
|
8690.0000 -121.80149 -112.69945 9.10204 3.03495 -115.94092 1241.13902
|
|
8695.0000 -125.55880 -116.96617 8.59263 3.11822 -114.75127 1286.61189
|
|
8700.0000 -123.28281 -115.58365 7.69917 3.03751 -115.90434 1284.09766
|
|
8705.0000 -124.68820 -117.44970 7.23850 3.01438 -116.23477 1213.52015
|
|
8710.0000 -127.88987 -119.46172 8.42815 2.82411 -118.95303 1121.20176
|
|
8715.0000 -125.45887 -117.83712 7.62174 2.85246 -118.54805 1133.37529
|
|
8720.0000 -124.04265 -116.31913 7.72352 3.02586 -116.07078 1243.92959
|
|
8725.0000 -125.49583 -118.42784 7.06799 2.94502 -117.22562 1177.64067
|
|
8730.0000 -125.81949 -117.66569 8.15380 2.90295 -117.82672 1167.57983
|
|
8735.0000 -123.14135 -115.55572 7.58563 2.94334 -117.24971 1187.77612
|
|
8740.0000 -123.49259 -114.87172 8.62087 3.12279 -114.68594 1281.27748
|
|
8745.0000 -124.20348 -116.23193 7.97154 3.09941 -115.02001 1247.73772
|
|
8750.0000 -124.99983 -116.04670 8.95314 3.00855 -116.31798 1268.78415
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 10 [min], 25.3568676 [s].
|
|
main_MD> Deallocating global variables
|