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_50.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 = 50 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: 50 5000
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main_MD> Size of nv and nvoiz: 50 5000
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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 = 50
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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> -2.1006761997911950E-002 -0.11994459581494170 -0.11631195371531219 initial drift of cluster / NP1 for coalescence
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init> 0.37928900148402434 0.36348476188716711 0.31775649621647561 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.9325694876414013E-003
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preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
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preparo> END t=0 TIME STEP
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.53167 -3.04968 -2.88321
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force_rgl> df(natom) 1.73700 -1.18341 0.79686
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preparo> THERMALIZATION PROCESS AT 325.39894171606301
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -123.19568244605867 2.7175872799814083 -125.91326972604007 3.8585594343809360E-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= 349.00000000000000
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main_MD> interactions number 1 at Temperature= 349.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.83366 -0.80269 -0.32824
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force_rgl> df(natom) 0.68055 2.51860 0.63372
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5.0000 -125.67371 -123.21059 2.46311 1.77326 -123.43320 349.62493
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10.0000 -126.52406 -124.67518 1.84888 1.73272 -123.98333 324.90544
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15.0000 -125.99211 -123.94857 2.04354 1.73432 -123.96167 326.07949
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20.0000 -126.01512 -124.12247 1.89264 1.74148 -123.86444 337.64841
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25.0000 -125.68156 -123.35704 2.32453 1.75317 -123.70584 349.50092
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30.0000 -125.90215 -123.71916 2.18298 1.75594 -123.66818 338.98438
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35.0000 -126.11263 -123.99792 2.11471 1.74240 -123.85200 331.25599
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40.0000 -125.70421 -123.78695 1.91726 1.71952 -124.16246 309.21947
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45.0000 -125.78393 -123.41255 2.37139 1.76184 -123.58819 349.24393
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50.0000 -126.26480 -123.90129 2.36351 1.75156 -123.72763 342.76286
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55.0000 -125.44552 -122.87401 2.57151 1.77433 -123.41866 365.92694
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60.0000 -125.60438 -123.49034 2.11404 1.79876 -123.08710 389.63047
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65.0000 -125.78623 -124.11759 1.66864 1.76355 -123.56495 350.04967
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70.0000 -125.44517 -123.17853 2.26664 1.74676 -123.79276 336.01015
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75.0000 -125.95891 -123.55491 2.40401 1.78813 -123.23134 383.25405
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80.0000 -125.99639 -123.76355 2.23285 1.75511 -123.67947 345.96406
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85.0000 -126.07762 -124.04551 2.03211 1.74150 -123.86421 334.67787
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90.0000 -126.38519 -124.27620 2.10899 1.71996 -124.15651 311.87570
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95.0000 -125.76440 -123.84752 1.91689 1.71189 -124.26602 303.89361
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100.0000 -125.64504 -123.42700 2.21804 1.76623 -123.52863 345.73335
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105.0000 -126.22631 -123.96766 2.25865 1.76023 -123.60998 348.36796
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110.0000 -126.23795 -124.25270 1.98525 1.73384 -123.96812 330.03827
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115.0000 -126.24481 -123.74217 2.50264 1.72724 -124.05769 319.55183
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120.0000 -126.27611 -123.95448 2.32164 1.74486 -123.81858 339.41302
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125.0000 -126.11191 -123.78337 2.32854 1.74994 -123.74971 345.44802
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130.0000 -125.95069 -123.72532 2.22537 1.74611 -123.80165 339.40544
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135.0000 -125.85641 -123.47704 2.37938 1.76547 -123.53884 359.12146
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140.0000 -125.84826 -123.50444 2.34382 1.76766 -123.50920 357.79420
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145.0000 -125.92100 -123.54901 2.37199 1.74276 -123.84715 332.60631
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150.0000 -125.86327 -123.93110 1.93216 1.73938 -123.89305 325.09767
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155.0000 -125.41573 -123.35804 2.05769 1.76769 -123.50872 358.22934
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160.0000 -125.53606 -123.22634 2.30972 1.77853 -123.36159 364.65876
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165.0000 -125.51772 -123.09655 2.42117 1.80384 -123.01808 389.21376
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170.0000 -125.59733 -122.66603 2.93131 1.82768 -122.69460 404.54871
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175.0000 -125.33266 -122.87286 2.45980 1.82246 -122.76548 397.65849
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180.0000 -125.92759 -123.50944 2.41814 1.77141 -123.45827 361.14658
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185.0000 -126.34303 -124.20349 2.13954 1.73980 -123.88722 326.79599
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190.0000 -126.21135 -124.13819 2.07317 1.71864 -124.17446 309.32471
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195.0000 -126.05186 -124.02834 2.02351 1.71479 -124.22675 306.03738
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200.0000 -126.36083 -124.26798 2.09285 1.72780 -124.05013 318.58999
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205.0000 -125.85433 -123.78269 2.07164 1.73039 -124.01495 321.61996
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210.0000 -125.48882 -123.41884 2.06999 1.80272 -123.03330 387.57419
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215.0000 -125.63957 -123.37460 2.26497 1.79963 -123.07528 386.04455
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220.0000 -125.85639 -123.38142 2.47497 1.76928 -123.48717 358.46799
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225.0000 -126.16883 -123.79267 2.37617 1.74316 -123.84165 339.33437
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230.0000 -126.03029 -123.36410 2.66619 1.78485 -123.27590 369.82679
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235.0000 -125.88795 -123.47070 2.41725 1.78008 -123.34066 373.91889
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240.0000 -125.36591 -122.82504 2.54087 1.80900 -122.94810 398.30477
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245.0000 -125.23422 -123.30107 1.93315 1.80087 -123.05842 388.30577
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250.0000 -126.24604 -123.40194 2.84410 1.77633 -123.39147 374.82879
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MELTING PROCESS: loop number 2 T-loop= 374.00000000000000
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main_MD> interactions number 2 at Temperature= 374.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.80703 -0.35281 2.57844
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force_rgl> df(natom) -0.20608 1.38635 1.70657
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255.0000 -125.95956 -124.26240 1.69716 1.74119 -123.86848 330.99507
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260.0000 -125.59896 -123.69527 1.90369 1.75253 -123.71444 348.52131
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265.0000 -125.81186 -123.60940 2.20246 1.76924 -123.48776 357.51830
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270.0000 -125.63475 -123.61322 2.02152 1.76227 -123.58226 354.12033
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275.0000 -125.41864 -122.85164 2.56700 1.79324 -123.16204 381.28089
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280.0000 -125.62182 -123.17080 2.45102 1.79754 -123.10363 380.93234
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285.0000 -126.17325 -123.66172 2.51152 1.76950 -123.48420 352.08128
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290.0000 -126.07024 -123.84865 2.22160 1.76992 -123.47845 366.03956
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295.0000 -125.86183 -123.20956 2.65227 1.77853 -123.36169 370.02682
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300.0000 -126.04706 -123.30069 2.74637 1.77874 -123.35876 362.71028
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305.0000 -125.77970 -123.84128 1.93841 1.77427 -123.41950 370.08086
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310.0000 -126.15575 -123.77706 2.37869 1.76478 -123.54829 353.02115
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315.0000 -125.84079 -123.74601 2.09478 1.76859 -123.49652 360.61563
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320.0000 -126.24445 -123.49829 2.74617 1.74317 -123.84155 332.50122
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325.0000 -125.53296 -122.89294 2.64002 1.79933 -123.07932 391.25506
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330.0000 -125.89598 -123.59047 2.30552 1.78499 -123.27394 368.46204
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335.0000 -124.88729 -122.57793 2.30936 1.81787 -122.82777 407.48852
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340.0000 -125.52554 -122.82115 2.70439 1.84128 -122.51004 422.74487
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345.0000 -125.98077 -123.88275 2.09802 1.78790 -123.23450 374.42229
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350.0000 -125.85991 -123.38501 2.47490 1.75175 -123.72506 342.54819
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355.0000 -125.58452 -123.48171 2.10281 1.74794 -123.77681 342.26575
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360.0000 -126.30197 -123.92489 2.37708 1.73191 -123.99436 324.15722
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365.0000 -125.49943 -123.27830 2.22113 1.75652 -123.66029 344.84533
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370.0000 -125.86879 -123.60820 2.26060 1.78298 -123.30130 376.93856
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375.0000 -125.80775 -123.53616 2.27159 1.74531 -123.81256 334.17405
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380.0000 -125.82512 -123.57326 2.25187 1.78334 -123.29632 370.10304
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385.0000 -125.89431 -123.94731 1.94700 1.76425 -123.55540 357.16106
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390.0000 -125.96423 -123.53882 2.42540 1.76259 -123.57801 352.27430
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395.0000 -125.79089 -123.19639 2.59449 1.77049 -123.47076 363.25493
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400.0000 -125.74454 -122.69053 3.05401 1.83196 -122.63645 414.05060
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405.0000 -125.38868 -122.74585 2.64283 1.82532 -122.72661 408.72993
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410.0000 -125.06712 -122.74500 2.32212 1.80726 -122.97175 394.79686
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415.0000 -125.32769 -123.19307 2.13462 1.80863 -122.95305 399.93326
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420.0000 -125.41113 -122.79339 2.61774 1.79727 -123.10725 387.71286
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425.0000 -126.03542 -123.42362 2.61180 1.80456 -123.00834 396.97355
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430.0000 -125.71283 -123.10280 2.61003 1.79555 -123.13066 387.89334
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435.0000 -125.99259 -123.38935 2.60324 1.76669 -123.52231 358.53954
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440.0000 -126.24325 -123.55407 2.68918 1.76011 -123.61157 347.67719
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445.0000 -125.60113 -123.42002 2.18111 1.78172 -123.31838 363.19637
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450.0000 -125.57996 -123.31078 2.26918 1.76879 -123.49378 360.01513
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455.0000 -125.14420 -122.76064 2.38356 1.81469 -122.87090 393.09539
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460.0000 -125.20626 -122.46548 2.74078 1.85411 -122.33592 422.88506
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465.0000 -125.50065 -122.84866 2.65199 1.83641 -122.57607 413.27618
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470.0000 -126.30059 -123.38872 2.91187 1.78083 -123.33035 365.70238
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475.0000 -126.24686 -123.67805 2.56882 1.77068 -123.46818 362.92270
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480.0000 -125.94414 -123.65599 2.28815 1.77567 -123.40046 374.07566
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485.0000 -125.68078 -122.97948 2.70130 1.79015 -123.20395 378.93843
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490.0000 -125.64839 -122.91350 2.73489 1.82314 -122.75618 404.06145
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495.0000 -125.84578 -123.06290 2.78288 1.78538 -123.26870 379.87944
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500.0000 -125.84104 -123.47237 2.36867 1.76620 -123.52895 358.29913
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MELTING PROCESS: loop number 3 T-loop= 399.00000000000000
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main_MD> interactions number 3 at Temperature= 399.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.75258 -2.44567 6.59687
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force_rgl> df(natom) 0.39171 1.62956 0.96040
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505.0000 -125.31699 -122.65732 2.65968 1.79803 -123.09696 385.94558
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510.0000 -125.05237 -122.48783 2.56455 1.83579 -122.58455 427.24852
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515.0000 -125.24084 -122.53279 2.70806 1.87794 -122.01243 445.98199
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520.0000 -124.84896 -121.88635 2.96261 1.85886 -122.27145 425.30967
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525.0000 -125.13839 -121.69618 3.44221 1.89663 -121.75879 475.58503
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530.0000 -124.89109 -122.13420 2.75689 1.85416 -122.33512 441.24509
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535.0000 -125.36496 -122.40864 2.95632 1.86406 -122.20076 436.13448
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540.0000 -125.43380 -122.85634 2.57746 1.83698 -122.56839 416.81623
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545.0000 -125.10044 -122.44775 2.65269 1.83199 -122.63609 422.38217
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550.0000 -124.68393 -122.74073 1.94320 1.84627 -122.44227 436.19637
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555.0000 -125.53441 -122.84213 2.69229 1.81411 -122.87868 392.07718
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560.0000 -125.58928 -123.25412 2.33516 1.80104 -123.05609 387.87989
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565.0000 -125.09684 -121.95689 3.13995 1.82514 -122.72907 417.39905
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570.0000 -125.53790 -123.13060 2.40729 1.84488 -122.46110 426.91511
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575.0000 -126.05725 -124.00695 2.05030 1.78839 -123.22779 378.10613
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580.0000 -125.20082 -121.85253 3.34829 1.81644 -122.84711 407.57468
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585.0000 -125.36800 -122.77132 2.59668 1.86099 -122.24246 439.54281
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590.0000 -124.94930 -122.62378 2.32553 1.83350 -122.61563 414.67721
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595.0000 -125.64064 -123.04329 2.59736 1.81521 -122.86383 400.36029
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600.0000 -125.27332 -122.94013 2.33318 1.79311 -123.16379 381.05161
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605.0000 -125.07529 -122.47699 2.59830 1.82170 -122.77574 409.59045
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610.0000 -125.67841 -123.46956 2.20885 1.81383 -122.88260 391.68796
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615.0000 -125.12332 -122.54418 2.57914 1.80072 -123.06040 383.59517
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620.0000 -125.50369 -123.17010 2.33359 1.80764 -122.96655 393.72060
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625.0000 -125.57304 -122.81439 2.75864 1.82074 -122.78877 403.82327
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630.0000 -125.56538 -123.04070 2.52468 1.83557 -122.58742 420.34148
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635.0000 -125.68283 -122.96950 2.71332 1.79852 -123.09029 388.63302
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640.0000 -125.41985 -122.07398 3.34587 1.83884 -122.54317 427.56313
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645.0000 -125.14081 -121.76334 3.37747 1.90506 -121.64432 480.91084
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650.0000 -124.47528 -121.34019 3.13509 1.90836 -121.59951 473.81203
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655.0000 -125.90949 -123.25801 2.65148 1.86220 -122.22610 449.65882
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660.0000 -125.67607 -123.34259 2.33348 1.77470 -123.41363 364.08052
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665.0000 -125.52699 -122.94342 2.58357 1.80300 -123.02947 391.48152
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670.0000 -124.94282 -122.37877 2.56405 1.81594 -122.85391 398.75484
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675.0000 -125.59990 -122.32137 3.27853 1.86298 -122.21543 457.12958
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680.0000 -125.42277 -122.63429 2.78849 1.83025 -122.65967 419.39958
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685.0000 -124.83888 -121.97549 2.86339 1.84314 -122.48475 424.88089
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690.0000 -125.22340 -122.79329 2.43011 1.81878 -122.81538 398.69244
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695.0000 -125.12520 -122.40087 2.72433 1.84618 -122.44342 420.57516
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700.0000 -125.03868 -122.57216 2.46651 1.84914 -122.40333 426.97742
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705.0000 -125.14941 -122.20148 2.94793 1.84462 -122.46468 418.06948
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710.0000 -125.01755 -122.65099 2.36656 1.82685 -122.70587 404.65087
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715.0000 -125.00922 -122.58500 2.42422 1.81869 -122.81651 401.14973
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720.0000 -125.25615 -122.75992 2.49623 1.83269 -122.62659 417.28926
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725.0000 -125.56730 -122.87030 2.69700 1.82308 -122.75698 401.99609
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730.0000 -125.38466 -122.78906 2.59559 1.80004 -123.06973 389.20317
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735.0000 -125.82656 -123.21963 2.60694 1.81765 -122.83070 405.40659
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740.0000 -125.87872 -123.40415 2.47457 1.75750 -123.64710 348.85964
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745.0000 -125.29243 -122.71595 2.57649 1.78230 -123.31048 363.94991
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750.0000 -125.57241 -123.20190 2.37051 1.79949 -123.07719 383.56350
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MELTING PROCESS: loop number 4 T-loop= 424.00000000000000
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main_MD> interactions number 4 at Temperature= 424.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -3.93147 -0.74595 0.88711
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force_rgl> df(natom) -0.46709 1.33986 1.50311
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755.0000 -125.12110 -122.88651 2.23459 1.80213 -123.04130 390.32650
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760.0000 -125.87754 -123.16992 2.70761 1.81628 -122.84933 405.42880
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765.0000 -125.52142 -123.31931 2.20211 1.78251 -123.30761 372.51303
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770.0000 -125.90523 -122.75299 3.15224 1.79827 -123.09371 379.58524
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775.0000 -124.73567 -121.88576 2.84992 1.87830 -122.00760 449.80924
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780.0000 -125.39085 -122.57155 2.81929 1.86607 -122.17358 440.73652
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785.0000 -125.66162 -123.18492 2.47670 1.82540 -122.72546 411.44177
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790.0000 -125.52597 -122.88055 2.64541 1.80393 -123.01687 392.22589
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795.0000 -125.01476 -122.17026 2.84449 1.85964 -122.26085 435.94641
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800.0000 -124.84823 -122.15649 2.69174 1.84785 -122.42086 433.99473
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805.0000 -124.87682 -122.61667 2.26015 1.84638 -122.44074 425.88597
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810.0000 -125.82824 -122.57573 3.25251 1.81538 -122.86156 393.58595
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815.0000 -125.31052 -122.77992 2.53061 1.81742 -122.83380 398.47011
|
|
820.0000 -125.15986 -122.24863 2.91123 1.82201 -122.77148 394.54356
|
|
825.0000 -124.75460 -122.62978 2.12482 1.86940 -122.12830 452.63428
|
|
830.0000 -125.49132 -122.82440 2.66693 1.82291 -122.75929 418.76623
|
|
835.0000 -124.90580 -122.34269 2.56311 1.82307 -122.75707 406.00139
|
|
840.0000 -125.21250 -122.56922 2.64328 1.84748 -122.42577 431.50101
|
|
845.0000 -125.44344 -122.42612 3.01732 1.83846 -122.54825 423.98625
|
|
850.0000 -125.13416 -122.74328 2.39089 1.86249 -122.22207 455.08215
|
|
855.0000 -125.41567 -123.43730 1.97837 1.81883 -122.81471 406.15687
|
|
860.0000 -125.65527 -122.78455 2.87071 1.81450 -122.87338 405.72670
|
|
865.0000 -125.26514 -122.91681 2.34833 1.80105 -123.05601 385.16120
|
|
870.0000 -125.48830 -122.76395 2.72435 1.82770 -122.69426 411.98525
|
|
875.0000 -125.33359 -123.06862 2.26497 1.82203 -122.77124 406.69497
|
|
880.0000 -125.37636 -122.40289 2.97348 1.84010 -122.52598 416.63411
|
|
885.0000 -125.52263 -122.63414 2.88849 1.85352 -122.34392 436.59281
|
|
890.0000 -125.27474 -122.17437 3.10037 1.85323 -122.34776 437.73257
|
|
895.0000 -124.63815 -122.00348 2.63467 1.87766 -122.01624 455.54432
|
|
900.0000 -124.96206 -122.24101 2.72105 1.87062 -122.11174 449.71977
|
|
905.0000 -124.79946 -122.07869 2.72076 1.86031 -122.25170 425.23215
|
|
910.0000 -124.60919 -121.81227 2.79691 1.85982 -122.25840 422.02381
|
|
915.0000 -125.03716 -122.44944 2.58771 1.89006 -121.84795 447.44878
|
|
920.0000 -125.24944 -122.44225 2.80719 1.83595 -122.58238 405.58148
|
|
925.0000 -124.89249 -121.85195 3.04054 1.87276 -122.08271 429.70652
|
|
930.0000 -125.05283 -122.25508 2.79774 1.87026 -122.11673 442.58289
|
|
935.0000 -125.15897 -123.00962 2.14934 1.83599 -122.58175 395.19263
|
|
940.0000 -125.52313 -122.93581 2.58732 1.79475 -123.14148 356.77080
|
|
945.0000 -125.15823 -122.32770 2.83053 1.83204 -122.63533 388.62611
|
|
950.0000 -125.16011 -122.72818 2.43193 1.85983 -122.25822 412.02381
|
|
955.0000 -125.17143 -123.04683 2.12461 1.82880 -122.67930 387.76378
|
|
960.0000 -124.94958 -122.68895 2.26062 1.79530 -123.13401 364.07926
|
|
965.0000 -124.82921 -122.12500 2.70422 1.83494 -122.59605 400.76843
|
|
970.0000 -125.31753 -122.06152 3.25601 1.86545 -122.18194 440.48311
|
|
975.0000 -124.87619 -122.02621 2.84998 1.83608 -122.58061 414.91786
|
|
980.0000 -124.90544 -122.40729 2.49815 1.84045 -122.52123 422.05908
|
|
985.0000 -124.52389 -121.82323 2.70066 1.86276 -122.21840 446.56111
|
|
990.0000 -125.08452 -122.13944 2.94508 1.86313 -122.21349 447.45125
|
|
995.0000 -125.00868 -122.00193 3.00675 1.86057 -122.24823 446.48505
|
|
1000.0000 -125.06163 -121.79848 3.26315 1.90198 -121.68615 480.98722
|
|
MELTING PROCESS: loop number 5 T-loop= 449.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 449.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.25932 1.21158 2.79828
|
|
force_rgl> df(natom) -2.45428 -2.70383 -0.22417
|
|
1005.0000 -124.26295 -121.38770 2.87524 1.88247 -121.95095 461.80037
|
|
1010.0000 -125.09973 -121.65928 3.44046 1.89769 -121.74441 488.81187
|
|
1015.0000 -125.11945 -122.61013 2.50932 1.86682 -122.16335 451.57045
|
|
1020.0000 -125.07380 -122.14132 2.93247 1.84827 -122.41516 434.47573
|
|
1025.0000 -124.76915 -121.70474 3.06441 1.89204 -121.82107 463.30665
|
|
1030.0000 -125.23777 -122.00655 3.23122 1.87796 -122.01213 457.44456
|
|
1035.0000 -125.36947 -121.64660 3.72287 1.89519 -121.77834 470.67065
|
|
1040.0000 -125.31060 -122.10769 3.20291 1.86584 -122.17663 456.94582
|
|
1045.0000 -125.79848 -122.53390 3.26459 1.86641 -122.16889 451.71295
|
|
1050.0000 -125.13155 -121.71685 3.41469 1.86928 -122.12993 447.39885
|
|
1055.0000 -125.23908 -122.31563 2.92344 1.83964 -122.53229 425.44016
|
|
1060.0000 -124.75610 -121.95968 2.79642 1.85106 -122.37718 432.91622
|
|
1065.0000 -124.52411 -121.45290 3.07121 1.87301 -122.07941 459.15939
|
|
1070.0000 -125.06331 -121.93894 3.12436 1.89769 -121.74439 471.05039
|
|
1075.0000 -124.67487 -121.76186 2.91301 1.90033 -121.70851 470.56623
|
|
1080.0000 -124.41268 -121.53063 2.88205 1.90200 -121.68591 449.72941
|
|
1085.0000 -124.61999 -122.28793 2.33206 1.90729 -121.61407 448.76576
|
|
1090.0000 -124.53475 -120.50990 4.02485 1.91235 -121.54546 482.55704
|
|
1095.0000 -124.64500 -122.11777 2.52723 1.94396 -121.11640 499.27469
|
|
1100.0000 -124.86244 -121.53333 3.32910 1.89569 -121.77157 470.49707
|
|
1105.0000 -125.24942 -122.41396 2.83546 1.88702 -121.88926 448.74948
|
|
1110.0000 -125.12055 -121.52133 3.59922 1.87589 -122.04021 458.07169
|
|
1115.0000 -125.33079 -122.74828 2.58250 1.89336 -121.80322 475.43339
|
|
1120.0000 -124.77831 -121.96199 2.81632 1.85239 -122.35918 435.63091
|
|
1125.0000 -125.23798 -121.55109 3.68689 1.92300 -121.40088 500.40124
|
|
1130.0000 -124.35343 -122.37026 1.98317 1.89034 -121.84411 449.17584
|
|
1135.0000 -124.54228 -121.59021 2.95207 1.88687 -121.89124 445.89983
|
|
1140.0000 -123.90637 -121.74156 2.16481 1.88024 -121.98128 441.54366
|
|
1145.0000 -124.35062 -121.27966 3.07097 1.90993 -121.57827 447.04703
|
|
1150.0000 -124.45754 -121.94944 2.50810 1.91386 -121.52495 466.83732
|
|
1155.0000 -125.01764 -122.53181 2.48583 1.88706 -121.88859 443.32306
|
|
1160.0000 -124.76400 -122.19212 2.57188 1.87184 -122.09520 428.73814
|
|
1165.0000 -124.72147 -121.94457 2.77690 1.87433 -122.06139 434.59616
|
|
1170.0000 -124.71188 -122.21533 2.49654 1.86048 -122.24943 430.40041
|
|
1175.0000 -124.98590 -122.23465 2.75125 1.85860 -122.27496 425.10161
|
|
1180.0000 -125.66018 -122.47610 3.18408 1.85521 -122.32088 430.44292
|
|
1185.0000 -124.89226 -122.25967 2.63258 1.85961 -122.26116 430.14823
|
|
1190.0000 -124.89440 -121.81537 3.07902 1.84262 -122.49184 420.95603
|
|
1195.0000 -124.69219 -121.88334 2.80884 1.87868 -122.00239 461.86684
|
|
1200.0000 -124.75297 -121.76329 2.98967 1.89151 -121.82821 464.33264
|
|
1205.0000 -125.16914 -121.96934 3.19980 1.91499 -121.50954 496.93604
|
|
1210.0000 -124.55449 -121.17888 3.37560 1.91394 -121.52382 497.91822
|
|
1215.0000 -125.31230 -122.02680 3.28550 1.89507 -121.77997 456.83157
|
|
1220.0000 -125.36286 -122.52228 2.84058 1.85716 -122.29444 423.08104
|
|
1225.0000 -124.87175 -122.05945 2.81230 1.86788 -122.14894 448.48688
|
|
1230.0000 -124.84360 -122.03915 2.80445 1.87048 -122.11368 444.72452
|
|
1235.0000 -124.69157 -121.98079 2.71078 1.86712 -122.15931 448.59862
|
|
1240.0000 -125.44153 -122.96406 2.47747 1.84551 -122.45255 428.67445
|
|
1245.0000 -124.75744 -122.09300 2.66444 1.83320 -122.61961 413.37632
|
|
1250.0000 -125.08335 -121.93176 3.15160 1.87291 -122.08070 449.53860
|
|
MELTING PROCESS: loop number 6 T-loop= 474.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 474.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -4.14685 -4.30742 0.54889
|
|
force_rgl> df(natom) -3.30926 -1.23582 3.08279
|
|
1255.0000 -124.62482 -122.11442 2.51040 1.87777 -122.01470 440.10510
|
|
1260.0000 -124.44500 -121.69086 2.75414 1.88683 -121.89174 448.83867
|
|
1265.0000 -124.33849 -121.70201 2.63648 1.88836 -121.87095 454.63940
|
|
1270.0000 -125.06034 -121.53202 3.52833 1.90101 -121.69929 468.09858
|
|
1275.0000 -124.93278 -122.15692 2.77586 1.90584 -121.63382 474.19911
|
|
1280.0000 -125.57639 -122.63609 2.94030 1.86083 -122.24461 438.55561
|
|
1285.0000 -125.23247 -122.57444 2.65804 1.82704 -122.70327 418.24818
|
|
1290.0000 -124.57519 -121.85343 2.72176 1.87117 -122.10433 449.79695
|
|
1295.0000 -124.86655 -121.89338 2.97317 1.86664 -122.16581 461.08824
|
|
1300.0000 -125.24926 -121.77512 3.47415 1.87632 -122.03442 463.73289
|
|
1305.0000 -124.39541 -121.49614 2.89927 1.90875 -121.59431 479.61707
|
|
1310.0000 -123.75209 -120.78674 2.96535 1.96354 -120.85059 537.63195
|
|
1315.0000 -124.64884 -121.36056 3.28828 1.95150 -121.01412 498.70920
|
|
1320.0000 -124.38303 -121.60181 2.78122 1.92878 -121.32237 483.73726
|
|
1325.0000 -124.71205 -121.94071 2.77134 1.90032 -121.70874 474.82726
|
|
1330.0000 -124.77728 -122.26595 2.51133 1.86866 -122.13836 436.25794
|
|
1335.0000 -125.60216 -122.41725 3.18491 1.84982 -122.39410 422.54659
|
|
1340.0000 -124.91080 -120.63119 4.27962 1.88563 -121.90802 463.56626
|
|
1345.0000 -124.83250 -121.89275 2.93976 1.93840 -121.19187 511.92565
|
|
1350.0000 -124.92165 -121.40221 3.51944 1.89470 -121.78490 470.31756
|
|
1355.0000 -124.68127 -121.84212 2.83915 1.91446 -121.51684 477.77718
|
|
1360.0000 -125.32645 -122.36579 2.96066 1.88790 -121.87721 466.35762
|
|
1365.0000 -124.01938 -121.10279 2.91659 1.89133 -121.83077 464.21283
|
|
1370.0000 -123.86983 -120.35183 3.51801 1.98862 -120.51026 547.66684
|
|
1375.0000 -124.52729 -121.61587 2.91142 1.95075 -121.02420 510.45887
|
|
1380.0000 -124.17478 -120.93118 3.24360 1.93540 -121.23261 500.14287
|
|
1385.0000 -125.14090 -121.93182 3.20908 1.92270 -121.40497 510.15769
|
|
1390.0000 -125.03079 -122.30840 2.72239 1.85092 -122.37911 432.55466
|
|
1395.0000 -125.59254 -122.55544 3.03710 1.84235 -122.49553 418.69618
|
|
1400.0000 -124.94201 -122.01401 2.92800 1.84836 -122.41394 444.61736
|
|
1405.0000 -124.71798 -122.09826 2.61971 1.87702 -122.02492 463.56701
|
|
1410.0000 -125.28135 -122.01018 3.27117 1.88001 -121.98427 459.78955
|
|
1415.0000 -124.64112 -121.74084 2.90028 1.88839 -121.87059 463.34527
|
|
1420.0000 -124.76425 -121.83038 2.93387 1.90220 -121.68315 476.68576
|
|
1425.0000 -125.06836 -121.87229 3.19606 1.88625 -121.89969 459.68658
|
|
1430.0000 -124.65281 -122.54602 2.10679 1.87147 -122.10028 458.30665
|
|
1435.0000 -125.14021 -122.39476 2.74545 1.87134 -122.10197 453.07796
|
|
1440.0000 -125.32343 -122.35965 2.96378 1.85467 -122.32820 437.28243
|
|
1445.0000 -124.59159 -121.74823 2.84336 1.88085 -121.97287 458.06630
|
|
1450.0000 -124.99327 -121.70830 3.28497 1.90373 -121.66236 464.37174
|
|
1455.0000 -124.38994 -121.61810 2.77184 1.88451 -121.92323 453.56892
|
|
1460.0000 -123.93684 -121.33406 2.60278 1.91607 -121.49492 478.05179
|
|
1465.0000 -124.59343 -121.60614 2.98729 1.92807 -121.33208 468.47650
|
|
1470.0000 -124.60408 -121.34433 3.25975 1.93078 -121.29523 486.38149
|
|
1475.0000 -124.80063 -121.63750 3.16313 1.90046 -121.70677 435.74269
|
|
1480.0000 -125.09020 -122.77602 2.31417 1.88431 -121.92591 437.88709
|
|
1485.0000 -125.27392 -122.88591 2.38801 1.79957 -123.07613 361.93829
|
|
1490.0000 -125.47158 -122.20703 3.26454 1.85796 -122.28365 423.03106
|
|
1495.0000 -125.55777 -122.86959 2.68818 1.81706 -122.83866 406.82523
|
|
1500.0000 -125.70152 -122.85721 2.84430 1.80807 -122.96077 388.59780
|
|
MELTING PROCESS: loop number 7 T-loop= 499.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 499.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.87683 -0.29413 1.99605
|
|
force_rgl> df(natom) -0.42634 0.90084 -0.50393
|
|
1505.0000 -124.68671 -121.67863 3.00808 1.88479 -121.91946 467.07210
|
|
1510.0000 -124.74618 -121.77251 2.97367 1.91430 -121.51895 474.03321
|
|
1515.0000 -124.92172 -121.97132 2.95040 1.88728 -121.88569 470.26047
|
|
1520.0000 -124.52426 -121.72664 2.79762 1.86588 -122.17617 454.59349
|
|
1525.0000 -124.89834 -121.51762 3.38072 1.89917 -121.72435 462.54276
|
|
1530.0000 -125.03486 -122.28369 2.75117 1.86896 -122.13437 441.35328
|
|
1535.0000 -124.62778 -121.76737 2.86040 1.89957 -121.71886 482.14278
|
|
1540.0000 -125.03045 -121.62084 3.40961 1.93501 -121.23783 515.06679
|
|
1545.0000 -124.74766 -121.36152 3.38614 1.92756 -121.33899 518.82753
|
|
1550.0000 -123.99648 -121.21492 2.78156 1.91371 -121.52699 483.92693
|
|
1555.0000 -124.11133 -120.69575 3.41558 1.92040 -121.43614 499.47619
|
|
1560.0000 -124.68019 -121.48176 3.19843 1.90219 -121.68326 476.98704
|
|
1565.0000 -124.79596 -121.44948 3.34648 1.91806 -121.46796 484.64144
|
|
1570.0000 -123.90744 -120.67715 3.23028 1.93324 -121.26189 517.67631
|
|
1575.0000 -124.11567 -120.83439 3.28128 1.93849 -121.19062 522.13794
|
|
1580.0000 -124.00758 -121.20686 2.80072 1.94923 -121.04490 503.94543
|
|
1585.0000 -125.21876 -121.78883 3.42993 1.95961 -120.90404 538.69447
|
|
1590.0000 -124.42073 -121.27660 3.14414 1.91191 -121.55145 482.99749
|
|
1595.0000 -124.74426 -121.78107 2.96319 1.90338 -121.66714 477.70293
|
|
1600.0000 -124.29850 -121.25013 3.04837 1.90743 -121.61225 453.94519
|
|
1605.0000 -124.71806 -121.25739 3.46066 1.94991 -121.03564 517.82522
|
|
1610.0000 -124.78186 -121.31591 3.46595 1.95688 -120.94102 522.05629
|
|
1615.0000 -124.91728 -121.87971 3.03757 1.91074 -121.56727 481.84850
|
|
1620.0000 -124.70885 -121.13383 3.57502 1.94468 -121.10665 517.71533
|
|
1625.0000 -124.54383 -121.46716 3.07667 1.90422 -121.65572 481.18224
|
|
1630.0000 -124.33491 -121.35703 2.97788 1.94414 -121.11391 519.36001
|
|
1635.0000 -123.79661 -120.43611 3.36050 1.96187 -120.87335 511.43589
|
|
1640.0000 -124.50407 -121.31466 3.18942 1.99053 -120.48437 516.34424
|
|
1645.0000 -124.69873 -121.44142 3.25731 1.93008 -121.30483 492.65897
|
|
1650.0000 -124.43111 -121.32541 3.10570 1.92921 -121.31658 500.80384
|
|
1655.0000 -123.75315 -120.38310 3.37006 1.94721 -121.07226 509.98709
|
|
1660.0000 -123.84208 -120.10043 3.74166 1.98691 -120.53343 538.88465
|
|
1665.0000 -123.68087 -120.67167 3.00920 1.97805 -120.65378 521.54732
|
|
1670.0000 -124.56961 -121.37830 3.19131 1.94958 -121.04019 510.51624
|
|
1675.0000 -124.42956 -121.52234 2.90721 1.92587 -121.36191 505.19780
|
|
1680.0000 -124.89111 -121.74527 3.14584 1.89955 -121.71908 470.33275
|
|
1685.0000 -124.22007 -121.34593 2.87414 1.90567 -121.63603 474.02600
|
|
1690.0000 -123.30750 -120.29369 3.01381 1.95054 -121.02703 525.94152
|
|
1695.0000 -124.22447 -120.56293 3.66154 2.01303 -120.17892 545.43359
|
|
1700.0000 -123.88036 -121.34940 2.53096 1.94912 -121.04632 478.62870
|
|
1705.0000 -124.37524 -120.95724 3.41801 1.94566 -121.09329 485.77755
|
|
1710.0000 -123.86380 -121.00543 2.85837 1.95625 -120.94967 477.35048
|
|
1715.0000 -124.63844 -120.99698 3.64146 1.94609 -121.08746 496.49052
|
|
1720.0000 -123.38512 -120.28044 3.10468 1.95980 -120.90142 518.98104
|
|
1725.0000 -123.85846 -120.66054 3.19792 2.00607 -120.27342 539.09933
|
|
1730.0000 -124.71560 -121.30553 3.41007 1.97248 -120.72927 537.74434
|
|
1735.0000 -125.00735 -122.12770 2.87965 1.90292 -121.67338 473.02766
|
|
1740.0000 -124.30517 -121.19165 3.11352 1.92690 -121.34791 506.76025
|
|
1745.0000 -124.16613 -120.75066 3.41547 1.95335 -120.98890 516.34002
|
|
1750.0000 -125.43255 -122.15138 3.28117 1.90673 -121.62168 495.39084
|
|
MELTING PROCESS: loop number 8 T-loop= 524.00000000000000
|
|
main_MD> interactions number 8 at Temperature= 524.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.32510 0.06506 -0.87868
|
|
force_rgl> df(natom) -0.41949 1.42914 -0.80151
|
|
1755.0000 -124.67572 -121.48524 3.19047 1.88125 -121.96750 470.29236
|
|
1760.0000 -124.57745 -121.21411 3.36334 1.92624 -121.35692 503.14934
|
|
1765.0000 -124.59141 -121.15373 3.43768 1.92574 -121.36374 505.62369
|
|
1770.0000 -124.52744 -120.65281 3.87463 2.00321 -120.31221 550.94262
|
|
1775.0000 -123.93753 -121.31329 2.62425 1.95604 -120.95245 523.98540
|
|
1780.0000 -123.63513 -120.45984 3.17529 1.97595 -120.68228 538.52732
|
|
1785.0000 -124.33472 -120.88803 3.44669 1.98388 -120.57460 538.40720
|
|
1790.0000 -123.09448 -119.68245 3.41204 1.97797 -120.65484 516.96950
|
|
1795.0000 -121.88776 -117.76387 4.12389 2.14141 -118.43656 620.71388
|
|
1800.0000 -122.91098 -118.90204 4.00894 2.14261 -118.42034 602.03345
|
|
1805.0000 -122.79442 -119.75703 3.03739 2.07269 -119.36928 573.40892
|
|
1810.0000 -123.81323 -120.74174 3.07149 1.99037 -120.48651 488.84903
|
|
1815.0000 -123.48300 -120.14281 3.34019 1.99693 -120.39744 519.96797
|
|
1820.0000 -123.62388 -120.17130 3.45258 2.03401 -119.89417 541.48494
|
|
1825.0000 -122.90026 -119.53242 3.36783 2.03633 -119.86275 541.23254
|
|
1830.0000 -123.62464 -120.09280 3.53184 2.05055 -119.66979 557.46398
|
|
1835.0000 -124.15378 -120.08895 4.06483 2.01047 -120.21368 524.92375
|
|
1840.0000 -123.78998 -120.39495 3.39503 2.03220 -119.91879 546.99689
|
|
1845.0000 -123.44698 -120.05494 3.39204 1.99210 -120.46307 500.13895
|
|
1850.0000 -123.16510 -119.03251 4.13259 2.05391 -119.62418 532.71883
|
|
1855.0000 -122.63593 -119.34459 3.29134 2.08621 -119.18577 565.79358
|
|
1860.0000 -123.28576 -119.74167 3.54409 2.02837 -119.97075 506.73234
|
|
1865.0000 -122.85130 -119.53165 3.31965 2.03120 -119.93232 508.99270
|
|
1870.0000 -122.95372 -119.55341 3.40031 2.05500 -119.60932 514.37935
|
|
1875.0000 -123.80986 -120.47148 3.33838 2.04076 -119.80263 523.85288
|
|
1880.0000 -123.10766 -120.49000 2.61766 1.99556 -120.41603 517.48080
|
|
1885.0000 -122.85353 -119.15645 3.69708 2.00418 -120.29906 510.79198
|
|
1890.0000 -123.38516 -120.21372 3.17144 2.08151 -119.24963 575.21652
|
|
1895.0000 -123.48696 -120.14584 3.34112 1.99130 -120.47391 485.05477
|
|
1900.0000 -123.18200 -119.89760 3.28440 2.03742 -119.84789 517.16501
|
|
1905.0000 -123.04970 -120.38954 2.66015 2.00626 -120.27080 521.00376
|
|
1910.0000 -124.62920 -120.72393 3.90527 1.99258 -120.45654 538.96175
|
|
1915.0000 -124.20320 -121.03057 3.17264 1.96411 -120.84297 518.32516
|
|
1920.0000 -123.48104 -120.40988 3.07116 1.95996 -120.89920 523.25143
|
|
1925.0000 -124.24350 -120.40176 3.84174 1.97652 -120.67444 502.77455
|
|
1930.0000 -124.46385 -120.26494 4.19891 1.96774 -120.79366 523.40663
|
|
1935.0000 -124.05993 -120.63158 3.42835 1.99046 -120.48526 542.07914
|
|
1940.0000 -123.74330 -120.18490 3.55840 1.98800 -120.51871 529.45860
|
|
1945.0000 -124.02925 -120.59076 3.43849 1.98670 -120.53639 545.45031
|
|
1950.0000 -124.64175 -120.09572 4.54603 2.00604 -120.27379 549.80917
|
|
1955.0000 -123.79023 -120.64464 3.14559 2.01080 -120.20925 562.24461
|
|
1960.0000 -124.57776 -120.99060 3.58716 1.99372 -120.44103 549.43828
|
|
1965.0000 -124.58364 -121.39750 3.18614 1.92078 -121.43104 482.58993
|
|
1970.0000 -124.44379 -121.01027 3.43352 1.93254 -121.27135 492.75108
|
|
1975.0000 -123.13160 -119.46857 3.66304 2.03316 -119.90575 558.70392
|
|
1980.0000 -123.36841 -119.56542 3.80299 2.06500 -119.47363 574.54341
|
|
1985.0000 -122.88334 -119.62976 3.25357 2.07417 -119.34920 566.06309
|
|
1990.0000 -124.32306 -120.76283 3.56023 1.99874 -120.37287 508.62409
|
|
1995.0000 -124.16125 -120.02113 4.14012 2.00568 -120.27877 524.26985
|
|
2000.0000 -124.09857 -120.22688 3.87169 2.02263 -120.04869 534.53537
|
|
MELTING PROCESS: loop number 9 T-loop= 549.00000000000000
|
|
main_MD> interactions number 9 at Temperature= 549.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.31130 0.04362 -1.05342
|
|
force_rgl> df(natom) -1.84632 0.46756 2.30909
|
|
2005.0000 -123.60233 -119.99403 3.60830 2.00788 -120.24889 515.94469
|
|
2010.0000 -123.64283 -120.27679 3.36605 2.01937 -120.09299 537.30241
|
|
2015.0000 -123.11846 -119.41003 3.70843 2.03433 -119.88993 529.81466
|
|
2020.0000 -123.69505 -119.82125 3.87380 2.06359 -119.49280 574.87803
|
|
2025.0000 -123.26913 -119.13521 4.13393 2.05398 -119.62315 573.79468
|
|
2030.0000 -122.50548 -119.19866 3.30681 2.05521 -119.60644 511.41513
|
|
2035.0000 -122.90346 -119.47797 3.42548 2.08211 -119.24136 543.05233
|
|
2040.0000 -122.86173 -119.06346 3.79826 2.09220 -119.10452 566.60283
|
|
2045.0000 -122.66619 -119.24212 3.42408 2.08319 -119.22675 581.33201
|
|
2050.0000 -123.47043 -119.31056 4.15987 2.09900 -119.01221 578.67629
|
|
2055.0000 -123.88185 -120.66521 3.21663 2.04774 -119.70789 536.11537
|
|
2060.0000 -123.53026 -119.85920 3.67106 1.98661 -120.53753 489.70374
|
|
2065.0000 -122.93351 -119.55565 3.37787 2.04933 -119.68625 555.57855
|
|
2070.0000 -123.19308 -120.13228 3.06080 2.03328 -119.90415 530.69293
|
|
2075.0000 -123.75850 -120.21338 3.54512 2.01626 -120.13513 539.51457
|
|
2080.0000 -123.16240 -119.81039 3.35201 2.01728 -120.12125 539.04813
|
|
2085.0000 -123.86395 -119.64224 4.22171 2.08244 -119.23692 601.55130
|
|
2090.0000 -123.30766 -120.14295 3.16471 2.00928 -120.22984 566.34077
|
|
2095.0000 -123.77239 -119.71552 4.05687 2.02298 -120.04395 563.93255
|
|
2100.0000 -123.33803 -119.61220 3.72583 2.04698 -119.71826 567.90924
|
|
2105.0000 -123.35420 -120.10462 3.24958 2.03423 -119.89127 572.34547
|
|
2110.0000 -123.67719 -119.90549 3.77170 2.05711 -119.58069 605.38064
|
|
2115.0000 -124.50840 -120.42996 4.07844 2.00429 -120.29760 564.32033
|
|
2120.0000 -124.36605 -120.95333 3.41272 1.96958 -120.76864 524.75832
|
|
2125.0000 -124.92432 -121.64321 3.28111 1.95467 -120.97103 522.23022
|
|
2130.0000 -124.04788 -121.08319 2.96469 1.91732 -121.47793 481.94742
|
|
2135.0000 -123.52126 -120.17326 3.34800 1.97368 -120.71304 519.89164
|
|
2140.0000 -123.44966 -120.52099 2.92868 2.02549 -120.00981 541.85787
|
|
2145.0000 -123.01346 -119.85132 3.16214 2.04196 -119.78628 552.35321
|
|
2150.0000 -123.96250 -120.93343 3.02907 2.00986 -120.22204 548.20301
|
|
2155.0000 -124.81983 -120.97323 3.84660 1.95916 -120.91012 504.74755
|
|
2160.0000 -123.98057 -120.51051 3.47007 1.99819 -120.38043 545.19403
|
|
2165.0000 -122.71326 -119.10807 3.60518 2.04689 -119.71948 569.25971
|
|
2170.0000 -122.86529 -118.57837 4.28692 2.10165 -118.97629 583.84594
|
|
2175.0000 -122.64518 -119.44034 3.20484 2.10420 -118.94155 581.32525
|
|
2180.0000 -123.14499 -120.37456 2.77044 2.02051 -120.07751 498.20886
|
|
2185.0000 -123.04026 -120.31157 2.72869 1.99520 -120.42102 486.44090
|
|
2190.0000 -123.15525 -119.93248 3.22277 2.01039 -120.21481 499.75242
|
|
2195.0000 -123.58657 -120.13785 3.44873 2.00782 -120.24962 501.55554
|
|
2200.0000 -123.08694 -119.84041 3.24653 2.01871 -120.10194 531.06760
|
|
2205.0000 -123.31397 -118.90161 4.41236 2.08729 -119.17105 580.73593
|
|
2210.0000 -123.60203 -119.39167 4.21035 2.06737 -119.44146 549.30543
|
|
2215.0000 -122.16585 -118.51703 3.64882 2.09494 -119.06725 566.12347
|
|
2220.0000 -122.65557 -118.81970 3.83587 2.11855 -118.74689 576.75232
|
|
2225.0000 -122.50646 -118.62026 3.88620 2.13263 -118.55570 591.95127
|
|
2230.0000 -121.88516 -118.40920 3.47596 2.12832 -118.61425 606.54280
|
|
2235.0000 -122.76811 -119.68773 3.08038 2.11544 -118.78899 616.22587
|
|
2240.0000 -122.52677 -118.98604 3.54072 2.09151 -119.11383 573.13951
|
|
2245.0000 -122.64645 -118.87156 3.77489 2.09075 -119.12415 555.78683
|
|
2250.0000 -122.08920 -118.08221 4.00699 2.13465 -118.52832 596.83939
|
|
MELTING PROCESS: loop number 10 T-loop= 574.00000000000000
|
|
main_MD> interactions number 10 at Temperature= 574.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.07636 -1.66114 2.04158
|
|
force_rgl> df(natom) 2.08135 -0.33026 0.17420
|
|
2255.0000 -121.52063 -117.92594 3.59469 2.16053 -118.17706 595.89283
|
|
2260.0000 -124.17850 -119.49325 4.68525 2.13249 -118.55765 579.85312
|
|
2265.0000 -123.62055 -120.42923 3.19132 2.05925 -119.55163 582.08903
|
|
2270.0000 -123.03856 -120.08434 2.95422 2.00762 -120.25241 533.69550
|
|
2275.0000 -123.91507 -120.35409 3.56098 1.98501 -120.55932 514.19669
|
|
2280.0000 -123.29006 -118.70637 4.58369 2.06281 -119.50339 555.18354
|
|
2285.0000 -121.95954 -118.55705 3.40250 2.15787 -118.21314 631.07673
|
|
2290.0000 -122.67256 -118.55539 4.11717 2.14855 -118.33967 621.47051
|
|
2295.0000 -122.14525 -118.70718 3.43806 2.12468 -118.66369 615.93229
|
|
2300.0000 -123.33625 -119.57386 3.76240 2.06036 -119.53665 561.32541
|
|
2305.0000 -123.93287 -120.55499 3.37788 2.03047 -119.94223 550.91064
|
|
2310.0000 -124.02828 -120.11416 3.91412 2.05494 -119.61015 593.08124
|
|
2315.0000 -123.45910 -119.58976 3.86934 2.04157 -119.79163 586.67861
|
|
2320.0000 -122.67185 -119.01587 3.65599 2.07283 -119.36741 588.42073
|
|
2325.0000 -122.04815 -118.15676 3.89139 2.12221 -118.69724 585.35503
|
|
2330.0000 -122.07286 -118.05387 4.01900 2.18109 -117.89803 633.08269
|
|
2335.0000 -122.65156 -119.75805 2.89351 2.07388 -119.35317 564.27238
|
|
2340.0000 -123.25363 -120.36192 2.89171 2.03193 -119.92245 539.88211
|
|
2345.0000 -123.18951 -119.58472 3.60479 2.02630 -119.99883 530.39236
|
|
2350.0000 -123.63605 -119.66660 3.96945 2.04501 -119.74490 541.82159
|
|
2355.0000 -123.30063 -119.20409 4.09654 2.07928 -119.27978 572.19434
|
|
2360.0000 -123.45869 -119.76263 3.69607 2.05490 -119.61069 551.94432
|
|
2365.0000 -123.82210 -119.64222 4.17988 2.06449 -119.48059 555.45755
|
|
2370.0000 -123.64746 -119.60473 4.04274 2.06611 -119.45857 560.25656
|
|
2375.0000 -122.90455 -119.20184 3.70271 2.04420 -119.75588 565.86645
|
|
2380.0000 -123.46997 -120.26855 3.20142 2.05925 -119.55165 541.88122
|
|
2385.0000 -122.33101 -119.42539 2.90562 2.00524 -120.28470 489.04348
|
|
2390.0000 -122.94843 -118.89163 4.05680 2.07356 -119.35752 565.66501
|
|
2395.0000 -122.84015 -118.28556 4.55459 2.13703 -118.49603 604.35434
|
|
2400.0000 -122.91187 -119.25832 3.65355 2.11316 -118.81999 594.65669
|
|
2405.0000 -122.74254 -119.03673 3.70581 2.09364 -119.08498 580.91319
|
|
2410.0000 -123.45813 -119.02138 4.43675 2.12064 -118.71845 615.13908
|
|
2415.0000 -122.94676 -118.80852 4.13823 2.06790 -119.43433 562.40300
|
|
2420.0000 -122.38148 -118.72815 3.65333 2.11684 -118.77008 604.44724
|
|
2425.0000 -122.76192 -118.13030 4.63161 2.13928 -118.46554 617.65950
|
|
2430.0000 -122.59463 -119.42740 3.16723 2.07458 -119.34368 560.54455
|
|
2435.0000 -123.07764 -118.64420 4.43344 2.08618 -119.18616 551.30625
|
|
2440.0000 -123.03200 -118.77761 4.25439 2.12120 -118.71094 608.92213
|
|
2445.0000 -123.38878 -119.89617 3.49261 2.08538 -119.19701 570.57590
|
|
2450.0000 -123.50059 -119.84306 3.65752 2.03852 -119.83309 543.51019
|
|
2455.0000 -123.95762 -120.93159 3.02603 1.97690 -120.66930 500.35224
|
|
2460.0000 -123.14467 -119.29886 3.84581 2.01926 -120.09439 526.35943
|
|
2465.0000 -122.82103 -119.36217 3.45886 2.11418 -118.80613 601.31219
|
|
2470.0000 -122.79681 -119.20049 3.59632 2.06361 -119.49252 567.04834
|
|
2475.0000 -122.02128 -117.98095 4.04034 2.14287 -118.41680 605.85354
|
|
2480.0000 -122.59584 -118.61710 3.97874 2.16967 -118.05305 633.07849
|
|
2485.0000 -123.34225 -119.18848 4.15377 2.10142 -118.97931 578.04387
|
|
2490.0000 -121.90501 -119.04281 2.86220 2.06870 -119.42341 548.75089
|
|
2495.0000 -123.03757 -119.26759 3.76998 2.10712 -118.90195 545.47568
|
|
2500.0000 -122.25057 -118.99656 3.25400 2.06812 -119.43124 529.67139
|
|
MELTING PROCESS: loop number 11 T-loop= 599.00000000000000
|
|
main_MD> interactions number 11 at Temperature= 599.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.75398 -2.34991 6.35405
|
|
force_rgl> df(natom) -0.71780 -1.73982 0.01983
|
|
2505.0000 -122.26673 -119.18780 3.07893 2.11242 -118.83008 594.02782
|
|
2510.0000 -123.33545 -119.46317 3.87228 2.09331 -119.08936 611.58263
|
|
2515.0000 -122.99188 -119.62825 3.36364 2.09311 -119.09212 585.48509
|
|
2520.0000 -122.94882 -119.51579 3.43303 2.05135 -119.65889 548.41785
|
|
2525.0000 -121.91104 -118.86104 3.05000 2.07167 -119.38308 550.86579
|
|
2530.0000 -122.86884 -118.23087 4.63796 2.12341 -118.68093 608.95486
|
|
2535.0000 -122.15928 -119.24548 2.91380 2.12971 -118.59534 624.15252
|
|
2540.0000 -122.92469 -119.19119 3.73350 2.06911 -119.41784 544.91970
|
|
2545.0000 -121.69535 -117.44297 4.25238 2.13031 -118.58727 585.44474
|
|
2550.0000 -122.53745 -118.05827 4.47918 2.19759 -117.67407 664.71867
|
|
2555.0000 -123.87740 -119.73172 4.14568 2.10439 -118.93903 585.52060
|
|
2560.0000 -123.90235 -120.14115 3.76120 2.02402 -120.02979 509.96484
|
|
2565.0000 -123.54120 -119.57567 3.96553 2.01894 -120.09873 517.11875
|
|
2570.0000 -123.77593 -120.20730 3.56863 2.06561 -119.46541 550.29085
|
|
2575.0000 -123.08997 -118.68302 4.40696 2.10597 -118.91761 620.04023
|
|
2580.0000 -122.65966 -119.15847 3.50119 2.08092 -119.25754 583.35062
|
|
2585.0000 -123.51150 -119.38424 4.12725 2.04405 -119.75801 551.32946
|
|
2590.0000 -122.44972 -118.66854 3.78117 2.11242 -118.83001 576.67576
|
|
2595.0000 -122.59389 -118.93809 3.65580 2.13346 -118.54448 616.11168
|
|
2600.0000 -123.28465 -119.41917 3.86548 2.12154 -118.70629 633.89545
|
|
2605.0000 -123.94134 -120.07365 3.86769 2.01080 -120.20920 552.27042
|
|
2610.0000 -122.96511 -119.16445 3.80066 2.08256 -119.23527 593.52554
|
|
2615.0000 -123.54384 -119.95415 3.58969 2.05925 -119.55162 594.99290
|
|
2620.0000 -122.74585 -119.12893 3.61692 2.11643 -118.77556 605.40620
|
|
2625.0000 -123.45800 -120.23518 3.22282 2.01514 -120.15039 514.63972
|
|
2630.0000 -122.77741 -118.89618 3.88122 2.07767 -119.30163 582.60677
|
|
2635.0000 -123.06938 -118.94614 4.12324 2.12391 -118.67413 619.87921
|
|
2640.0000 -122.70405 -119.36314 3.34092 2.09320 -119.09088 566.37423
|
|
2645.0000 -123.18769 -119.45059 3.73710 2.06114 -119.52599 565.46296
|
|
2650.0000 -122.51861 -119.17757 3.34104 2.08080 -119.25926 556.45942
|
|
2655.0000 -121.52540 -118.02578 3.49962 2.12819 -118.61595 594.91813
|
|
2660.0000 -123.10697 -118.40511 4.70186 2.15344 -118.27338 625.60611
|
|
2665.0000 -122.00377 -118.44498 3.55878 2.12437 -118.66790 586.49913
|
|
2670.0000 -121.87176 -116.84485 5.02691 2.17546 -117.97443 636.03289
|
|
2675.0000 -121.82714 -118.11604 3.71110 2.22095 -117.35700 647.59079
|
|
2680.0000 -121.38034 -118.33554 3.04480 2.17403 -117.99383 596.05443
|
|
2685.0000 -123.03901 -119.42849 3.61052 2.12185 -118.70205 582.12720
|
|
2690.0000 -122.83606 -117.84032 4.99574 2.16559 -118.10846 676.52787
|
|
2695.0000 -122.80932 -117.97880 4.83052 2.17957 -117.91872 668.75009
|
|
2700.0000 -121.77438 -118.12636 3.64802 2.13921 -118.46647 611.90776
|
|
2705.0000 -121.64468 -117.53615 4.10853 2.20176 -117.61759 665.36327
|
|
2710.0000 -121.55710 -118.26586 3.29124 2.18394 -117.85941 665.48459
|
|
2715.0000 -121.95041 -117.87743 4.07298 2.15693 -118.22602 614.16165
|
|
2720.0000 -121.40110 -116.81106 4.59004 2.19732 -117.67783 666.25316
|
|
2725.0000 -122.68519 -118.48452 4.20067 2.16867 -118.06662 635.97497
|
|
2730.0000 -123.32314 -119.32472 3.99842 2.08869 -119.15215 576.94053
|
|
2735.0000 -122.36314 -118.69398 3.66916 2.09619 -119.05037 553.24472
|
|
2740.0000 -123.13029 -119.81455 3.31574 2.09749 -119.03264 588.65615
|
|
2745.0000 -122.96768 -118.85352 4.11416 2.10208 -118.97040 588.73711
|
|
2750.0000 -122.94803 -118.63124 4.31679 2.09390 -119.08135 573.74588
|
|
MELTING PROCESS: loop number 12 T-loop= 624.00000000000000
|
|
main_MD> interactions number 12 at Temperature= 624.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.26302 0.82442 -1.09016
|
|
force_rgl> df(natom) 3.65192 6.51342 3.58252
|
|
2755.0000 -123.25791 -118.25543 5.00248 2.11279 -118.82501 610.16660
|
|
2760.0000 -122.99753 -118.70123 4.29630 2.14500 -118.38783 624.61857
|
|
2765.0000 -121.50870 -116.81967 4.68904 2.18370 -117.86258 638.04350
|
|
2770.0000 -121.37155 -117.31573 4.05582 2.26619 -116.74306 708.85270
|
|
2775.0000 -121.39036 -117.53420 3.85616 2.19414 -117.72094 654.90618
|
|
2780.0000 -122.19152 -118.27785 3.91367 2.16663 -118.09434 613.76822
|
|
2785.0000 -121.67790 -117.12824 4.54966 2.20470 -117.57762 664.66969
|
|
2790.0000 -122.16856 -117.47049 4.69807 2.20652 -117.55289 701.33685
|
|
2795.0000 -121.20559 -116.57027 4.63531 2.27920 -116.56655 732.86958
|
|
2800.0000 -120.93741 -117.21653 3.72087 2.26991 -116.69259 727.18457
|
|
2805.0000 -122.36959 -118.79559 3.57400 2.17180 -118.02413 643.62815
|
|
2810.0000 -122.11598 -118.57155 3.54443 2.14294 -118.41586 643.66314
|
|
2815.0000 -121.72604 -117.28052 4.44553 2.13460 -118.52907 627.55662
|
|
2820.0000 -123.01121 -118.27940 4.73180 2.16266 -118.14813 642.11647
|
|
2825.0000 -122.77208 -119.22495 3.54713 2.10350 -118.95105 616.93011
|
|
2830.0000 -123.40090 -119.14022 4.26068 2.08136 -119.25165 572.73778
|
|
2835.0000 -123.31150 -119.39788 3.91363 2.09037 -119.12935 581.77538
|
|
2840.0000 -121.27831 -118.33450 2.94381 2.10750 -118.89680 596.18628
|
|
2845.0000 -121.30132 -117.54889 3.75243 2.13837 -118.47784 611.41805
|
|
2850.0000 -123.11060 -118.84647 4.26413 2.17103 -118.03457 625.44752
|
|
2855.0000 -122.49510 -118.96585 3.52924 2.11340 -118.81678 581.56269
|
|
2860.0000 -121.50029 -118.05133 3.44896 2.11658 -118.77362 605.89744
|
|
2865.0000 -122.14451 -117.76115 4.38335 2.17838 -117.93490 636.21282
|
|
2870.0000 -121.03989 -117.67364 3.36625 2.19714 -117.68023 628.68564
|
|
2875.0000 -123.19410 -118.52476 4.66935 2.15378 -118.26875 624.57556
|
|
2880.0000 -121.24077 -117.69650 3.54427 2.13723 -118.49330 595.93192
|
|
2885.0000 -121.84072 -118.35122 3.48950 2.19172 -117.75376 640.74215
|
|
2890.0000 -121.52395 -117.63407 3.88988 2.21540 -117.43238 653.69878
|
|
2895.0000 -120.75292 -117.73825 3.01467 2.20463 -117.57863 669.82105
|
|
2900.0000 -122.78651 -118.04879 4.73773 2.18575 -117.83484 646.84675
|
|
2905.0000 -121.74600 -117.03391 4.71209 2.21958 -117.37569 654.70103
|
|
2910.0000 -120.87953 -117.18463 3.69489 2.22440 -117.31024 680.91266
|
|
2915.0000 -121.28498 -117.19857 4.08641 2.21879 -117.38643 665.82492
|
|
2920.0000 -122.13458 -117.61438 4.52020 2.21823 -117.39398 637.06293
|
|
2925.0000 -121.64338 -118.10654 3.53684 2.23208 -117.20601 687.64589
|
|
2930.0000 -122.08639 -118.81627 3.27011 2.13997 -118.45609 630.11774
|
|
2935.0000 -123.43264 -119.23047 4.20217 2.12137 -118.70852 619.67796
|
|
2940.0000 -121.71085 -117.99180 3.71905 2.12285 -118.68848 605.79497
|
|
2945.0000 -121.29905 -116.92468 4.37437 2.22815 -117.25938 669.92395
|
|
2950.0000 -121.42229 -118.13727 3.28503 2.18996 -117.77772 630.82536
|
|
2955.0000 -122.71945 -119.17648 3.54297 2.12406 -118.67205 590.34856
|
|
2960.0000 -122.68517 -118.97343 3.71174 2.08900 -119.14791 559.92946
|
|
2965.0000 -122.61446 -118.99830 3.61616 2.09262 -119.09882 576.66894
|
|
2970.0000 -121.73570 -118.13033 3.60537 2.15015 -118.31792 621.96731
|
|
2975.0000 -121.04800 -116.38420 4.66380 2.22781 -117.26393 671.32327
|
|
2980.0000 -122.10274 -117.02392 5.07881 2.28742 -116.45492 724.90609
|
|
2985.0000 -121.00551 -116.16452 4.84099 2.25857 -116.84647 721.56754
|
|
2990.0000 -121.86901 -118.34045 3.52856 2.21969 -117.37421 682.77637
|
|
2995.0000 -122.23424 -119.10931 3.12493 2.09969 -119.00283 594.37122
|
|
3000.0000 -122.76473 -119.08594 3.67879 2.08267 -119.23380 578.54880
|
|
MELTING PROCESS: loop number 13 T-loop= 649.00000000000000
|
|
main_MD> interactions number 13 at Temperature= 649.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.14669 0.74006 -1.87578
|
|
force_rgl> df(natom) -2.32219 2.30155 1.11252
|
|
3005.0000 -123.10525 -118.92700 4.17825 2.08757 -119.16737 590.86130
|
|
3010.0000 -122.00555 -118.47304 3.53252 2.15139 -118.30113 627.26345
|
|
3015.0000 -122.36434 -118.75947 3.60488 2.15173 -118.29650 630.57056
|
|
3020.0000 -121.92804 -117.99814 3.92990 2.12233 -118.69549 624.43632
|
|
3025.0000 -122.48596 -118.11833 4.36763 2.20328 -117.59691 657.23338
|
|
3030.0000 -122.20481 -118.59303 3.61178 2.18224 -117.88250 645.43688
|
|
3035.0000 -121.77413 -118.29342 3.48071 2.14049 -118.44904 619.37208
|
|
3040.0000 -122.14793 -118.19538 3.95255 2.16697 -118.08966 635.03326
|
|
3045.0000 -122.21812 -117.29055 4.92757 2.18214 -117.88375 641.04126
|
|
3050.0000 -122.97952 -118.46577 4.51375 2.18090 -117.90068 639.94866
|
|
3055.0000 -122.53157 -118.77404 3.75753 2.11593 -118.78236 579.81032
|
|
3060.0000 -122.06969 -117.04198 5.02771 2.19068 -117.76791 646.05549
|
|
3065.0000 -120.72729 -116.50385 4.22343 2.26508 -116.75814 706.40803
|
|
3070.0000 -120.43425 -116.53089 3.90336 2.28671 -116.46453 721.11693
|
|
3075.0000 -121.59518 -118.01407 3.58112 2.21811 -117.39558 678.77378
|
|
3080.0000 -121.76122 -117.90018 3.86105 2.16603 -118.10243 653.14344
|
|
3085.0000 -122.53223 -118.82560 3.70663 2.14739 -118.35542 590.85234
|
|
3090.0000 -121.00006 -117.19459 3.80546 2.20961 -117.51099 622.52222
|
|
3095.0000 -122.11677 -117.29954 4.81723 2.22699 -117.27513 664.44138
|
|
3100.0000 -121.69664 -117.05693 4.63971 2.24864 -116.98132 710.69590
|
|
3105.0000 -121.85844 -116.93219 4.92625 2.25674 -116.87139 722.48043
|
|
3110.0000 -122.70993 -118.32480 4.38513 2.15388 -118.26742 641.46038
|
|
3115.0000 -122.44715 -118.35725 4.08990 2.18252 -117.87865 658.41230
|
|
3120.0000 -122.07561 -118.32334 3.75227 2.11855 -118.74679 572.64505
|
|
3125.0000 -122.06383 -118.46270 3.60112 2.12715 -118.63007 606.23916
|
|
3130.0000 -120.45427 -116.10921 4.34507 2.27063 -116.68282 712.66235
|
|
3135.0000 -121.03509 -117.02287 4.01222 2.29127 -116.40268 701.81865
|
|
3140.0000 -122.05716 -117.97394 4.08322 2.21440 -117.44603 670.54824
|
|
3145.0000 -122.97874 -118.75368 4.22507 2.16084 -118.17291 636.19205
|
|
3150.0000 -122.41270 -118.40979 4.00290 2.10456 -118.93678 590.92784
|
|
3155.0000 -120.84418 -116.25454 4.58964 2.23879 -117.11495 686.15461
|
|
3160.0000 -122.06313 -117.01434 5.04879 2.21658 -117.41644 679.90027
|
|
3165.0000 -121.61632 -118.71797 2.89835 2.16985 -118.05064 610.57610
|
|
3170.0000 -121.42131 -118.06169 3.35962 2.11610 -118.78011 587.99015
|
|
3175.0000 -122.12326 -118.36389 3.75936 2.16295 -118.14420 625.71979
|
|
3180.0000 -121.85806 -118.08424 3.77382 2.18566 -117.83606 658.79247
|
|
3185.0000 -122.93813 -118.48499 4.45314 2.15434 -118.26116 622.19888
|
|
3190.0000 -121.53326 -116.87983 4.65343 2.19411 -117.72140 657.36208
|
|
3195.0000 -122.10974 -117.56255 4.54719 2.22234 -117.33816 679.74631
|
|
3200.0000 -122.74752 -117.68293 5.06459 2.19642 -117.69003 631.96911
|
|
3205.0000 -122.00242 -117.67379 4.32863 2.20440 -117.58163 663.51223
|
|
3210.0000 -121.68135 -117.60266 4.07869 2.23164 -117.21196 669.48866
|
|
3215.0000 -121.96869 -117.45069 4.51800 2.20063 -117.63291 677.30940
|
|
3220.0000 -122.75548 -118.09835 4.65713 2.18763 -117.80931 679.66871
|
|
3225.0000 -121.46404 -117.15725 4.30679 2.20650 -117.55324 675.45361
|
|
3230.0000 -121.95951 -117.01894 4.94057 2.22680 -117.27770 678.29973
|
|
3235.0000 -119.68782 -115.99271 3.69511 2.23710 -117.13783 661.24236
|
|
3240.0000 -122.22400 -117.51449 4.70951 2.23848 -117.11914 686.25290
|
|
3245.0000 -123.00059 -117.95994 5.04066 2.19283 -117.73877 674.31966
|
|
3250.0000 -122.95800 -119.42154 3.53647 2.14293 -118.41596 649.11864
|
|
MELTING PROCESS: loop number 14 T-loop= 674.00000000000000
|
|
main_MD> interactions number 14 at Temperature= 674.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.27442 -2.85659 -3.35065
|
|
force_rgl> df(natom) -2.26588 1.28873 1.20087
|
|
3255.0000 -122.44660 -118.27284 4.17376 2.09302 -119.09333 601.07046
|
|
3260.0000 -121.69758 -118.29975 3.39783 2.16532 -118.11210 612.81584
|
|
3265.0000 -120.90864 -116.60767 4.30097 2.22032 -117.36560 649.66533
|
|
3270.0000 -121.65311 -117.21836 4.43475 2.25434 -116.90388 700.34051
|
|
3275.0000 -122.27129 -117.11080 5.16049 2.26300 -116.78643 705.12121
|
|
3280.0000 -122.25648 -117.71574 4.54074 2.20022 -117.63841 660.79846
|
|
3285.0000 -121.31993 -117.57781 3.74213 2.22498 -117.30240 674.64065
|
|
3290.0000 -122.45496 -119.13517 3.31979 2.15835 -118.20670 620.10825
|
|
3295.0000 -122.80165 -119.60691 3.19474 2.09069 -119.12499 557.86765
|
|
3300.0000 -122.13589 -118.43882 3.69707 2.07844 -119.29123 571.31301
|
|
3305.0000 -121.98939 -118.12635 3.86304 2.17878 -117.92945 637.91406
|
|
3310.0000 -122.27855 -118.69642 3.58213 2.15315 -118.27720 651.35837
|
|
3315.0000 -122.21555 -119.16056 3.05499 2.08942 -119.14227 566.24826
|
|
3320.0000 -122.28450 -118.49178 3.79272 2.11669 -118.77205 592.84263
|
|
3325.0000 -120.82682 -116.73853 4.08829 2.20339 -117.59540 637.11793
|
|
3330.0000 -121.45106 -116.04037 5.41068 2.28437 -116.49630 689.46225
|
|
3335.0000 -121.11770 -117.08473 4.03296 2.28011 -116.55413 706.20437
|
|
3340.0000 -122.07238 -116.89509 5.17729 2.27142 -116.67209 711.26202
|
|
3345.0000 -119.75410 -115.14000 4.61410 2.32307 -115.97104 758.17365
|
|
3350.0000 -122.02262 -116.38965 5.63298 2.29181 -116.39534 713.62221
|
|
3355.0000 -121.74360 -116.59064 5.15296 2.27399 -116.63722 740.16801
|
|
3360.0000 -120.84685 -116.75701 4.08984 2.26635 -116.74096 713.00923
|
|
3365.0000 -121.99359 -117.22564 4.76795 2.26404 -116.77229 716.20725
|
|
3370.0000 -121.54091 -117.61847 3.92243 2.19817 -117.66625 654.19785
|
|
3375.0000 -122.37846 -118.70599 3.67247 2.15064 -118.31136 627.67625
|
|
3380.0000 -122.31207 -118.09708 4.21499 2.18926 -117.78722 650.68582
|
|
3385.0000 -122.09248 -118.11106 3.98142 2.12604 -118.64515 606.33908
|
|
3390.0000 -120.57717 -115.93416 4.64300 2.27320 -116.64794 740.02607
|
|
3395.0000 -121.43901 -115.91166 5.52735 2.29763 -116.31636 752.52096
|
|
3400.0000 -121.59945 -116.94682 4.65263 2.32784 -115.90638 792.29010
|
|
3405.0000 -122.04953 -117.16009 4.88944 2.24528 -117.02692 693.59735
|
|
3410.0000 -121.58288 -117.33880 4.24408 2.24050 -117.09167 719.25585
|
|
3415.0000 -120.94607 -116.09351 4.85256 2.25946 -116.83437 685.25247
|
|
3420.0000 -121.80651 -117.47357 4.33294 2.24490 -117.03197 688.02886
|
|
3425.0000 -120.96971 -116.36636 4.60335 2.24274 -117.06127 677.71830
|
|
3430.0000 -120.14954 -115.52340 4.62614 2.31294 -116.10857 729.41413
|
|
3435.0000 -121.72026 -116.38062 5.33964 2.34277 -115.70368 775.52588
|
|
3440.0000 -121.10804 -116.81835 4.28969 2.26283 -116.78866 730.52652
|
|
3445.0000 -121.71496 -116.70859 5.00637 2.25872 -116.84444 678.76848
|
|
3450.0000 -121.20731 -117.29279 3.91452 2.25420 -116.90577 712.14786
|
|
3455.0000 -121.87926 -117.95920 3.92006 2.18486 -117.84694 636.38864
|
|
3460.0000 -122.08797 -118.00205 4.08592 2.18849 -117.79767 652.79867
|
|
3465.0000 -122.48298 -118.51027 3.97271 2.19444 -117.71687 673.65997
|
|
3470.0000 -122.82258 -118.76704 4.05554 2.17928 -117.92261 636.38084
|
|
3475.0000 -120.72803 -116.80548 3.92255 2.25594 -116.88215 687.64711
|
|
3480.0000 -120.96813 -116.39937 4.56876 2.28942 -116.42780 728.00743
|
|
3485.0000 -122.76036 -117.84925 4.91111 2.21059 -117.49764 674.10928
|
|
3490.0000 -121.66675 -117.34336 4.32339 2.22808 -117.26025 704.35812
|
|
3495.0000 -122.93104 -118.69078 4.24026 2.16550 -118.10959 648.96125
|
|
3500.0000 -122.41912 -117.89728 4.52184 2.15530 -118.24811 636.76452
|
|
MELTING PROCESS: loop number 15 T-loop= 699.00000000000000
|
|
main_MD> interactions number 15 at Temperature= 699.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.96156 -2.54549 4.63845
|
|
force_rgl> df(natom) -1.89716 2.34544 -1.76079
|
|
3505.0000 -122.02360 -117.96885 4.05475 2.18785 -117.80628 637.43152
|
|
3510.0000 -120.76622 -116.53609 4.23013 2.20031 -117.63721 656.28369
|
|
3515.0000 -121.71342 -117.47053 4.24290 2.25262 -116.92719 686.56616
|
|
3520.0000 -121.84328 -116.88108 4.96220 2.24209 -117.07022 670.06376
|
|
3525.0000 -121.67352 -117.30761 4.36591 2.23139 -117.21540 711.20774
|
|
3530.0000 -121.11135 -116.67846 4.43289 2.27634 -116.60533 709.02054
|
|
3535.0000 -122.50240 -118.62535 3.87705 2.19101 -117.76338 676.92375
|
|
3540.0000 -121.74833 -117.94279 3.80555 2.13794 -118.48368 634.93918
|
|
3545.0000 -121.53534 -117.05915 4.47619 2.22008 -117.36889 646.86634
|
|
3550.0000 -121.21692 -116.18383 5.03310 2.29442 -116.35990 733.36713
|
|
3555.0000 -121.46373 -117.03342 4.43031 2.29172 -116.39658 708.04096
|
|
3560.0000 -121.61487 -116.65064 4.96423 2.27650 -116.60316 716.69860
|
|
3565.0000 -121.83706 -116.53476 5.30230 2.25356 -116.91446 675.11297
|
|
3570.0000 -121.32839 -117.16839 4.16000 2.28650 -116.46746 736.91840
|
|
3575.0000 -122.38286 -117.56355 4.81931 2.24892 -116.97747 700.10385
|
|
3580.0000 -121.33891 -116.80023 4.53868 2.15692 -118.22606 663.51146
|
|
3585.0000 -122.40945 -116.45006 5.95939 2.22884 -117.24997 712.61495
|
|
3590.0000 -121.39783 -116.20188 5.19596 2.26405 -116.77212 709.99756
|
|
3595.0000 -121.26579 -115.88785 5.37794 2.33360 -115.82820 727.79392
|
|
3600.0000 -120.46563 -115.62027 4.84536 2.34488 -115.67504 752.99884
|
|
3605.0000 -121.32296 -117.24065 4.08231 2.28966 -116.42453 694.90583
|
|
3610.0000 -121.73405 -116.16568 5.56837 2.27561 -116.61518 696.90433
|
|
3615.0000 -121.61246 -117.41635 4.19610 2.26796 -116.71904 721.59384
|
|
3620.0000 -121.34598 -117.66481 3.68118 2.20316 -117.59854 638.24423
|
|
3625.0000 -122.02455 -117.74548 4.27908 2.18562 -117.83664 625.80860
|
|
3630.0000 -121.65342 -117.15388 4.49955 2.25279 -116.92496 689.12615
|
|
3635.0000 -120.95605 -116.63911 4.31693 2.26898 -116.70520 713.62195
|
|
3640.0000 -121.74935 -116.79815 4.95120 2.28174 -116.53196 714.76390
|
|
3645.0000 -120.46092 -116.12763 4.33329 2.30090 -116.27192 753.48026
|
|
3650.0000 -121.87162 -118.16646 3.70516 2.27832 -116.57844 710.50722
|
|
3655.0000 -121.83202 -116.95218 4.87983 2.20408 -117.58598 668.89720
|
|
3660.0000 -121.27146 -115.94628 5.32518 2.32532 -115.94058 751.84100
|
|
3665.0000 -120.49543 -116.55710 3.93833 2.31983 -116.01511 724.09186
|
|
3670.0000 -121.65858 -116.75548 4.90309 2.24175 -117.07483 702.41783
|
|
3675.0000 -121.58308 -117.04968 4.53340 2.26450 -116.76607 712.92037
|
|
3680.0000 -121.76384 -116.00606 5.75777 2.23839 -117.12042 695.88453
|
|
3685.0000 -121.22614 -116.87227 4.35387 2.26001 -116.82694 727.65889
|
|
3690.0000 -122.42255 -117.22457 5.19798 2.27486 -116.62534 723.25196
|
|
3695.0000 -121.37358 -117.22261 4.15097 2.22269 -117.33348 677.61822
|
|
3700.0000 -121.87757 -117.17827 4.69931 2.26147 -116.80710 672.67310
|
|
3705.0000 -121.82645 -117.75031 4.07614 2.20413 -117.58540 642.45442
|
|
3710.0000 -121.23911 -116.59502 4.64408 2.24862 -116.98152 686.92380
|
|
3715.0000 -121.44368 -116.31550 5.12818 2.27897 -116.56962 721.53290
|
|
3720.0000 -122.07329 -117.09044 4.98285 2.26164 -116.80478 716.93591
|
|
3725.0000 -122.84312 -118.14969 4.69342 2.20803 -117.53248 682.18019
|
|
3730.0000 -122.05869 -118.33313 3.72556 2.14270 -118.41912 630.38023
|
|
3735.0000 -121.65252 -116.74425 4.90827 2.20368 -117.59140 667.02796
|
|
3740.0000 -119.93227 -115.53557 4.39670 2.34612 -115.65826 769.81355
|
|
3745.0000 -121.54976 -116.78107 4.76869 2.31289 -116.10928 721.25108
|
|
3750.0000 -122.00649 -117.61380 4.39269 2.23548 -117.15988 689.77019
|
|
MELTING PROCESS: loop number 16 T-loop= 724.00000000000000
|
|
main_MD> interactions number 16 at Temperature= 724.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.96803 0.99862 1.63125
|
|
force_rgl> df(natom) 0.46717 0.88932 -2.93764
|
|
3755.0000 -121.71033 -117.25984 4.45049 2.24141 -117.07944 681.19803
|
|
3760.0000 -121.20889 -116.12688 5.08200 2.26370 -116.77689 696.40502
|
|
3765.0000 -121.60660 -117.25472 4.35188 2.26072 -116.81733 712.71852
|
|
3770.0000 -122.24937 -117.44655 4.80282 2.18866 -117.79526 643.40177
|
|
3775.0000 -121.14581 -117.04335 4.10246 2.26653 -116.73847 694.30637
|
|
3780.0000 -120.94533 -115.67629 5.26903 2.34579 -115.66276 782.27265
|
|
3785.0000 -120.88471 -116.28324 4.60146 2.31313 -116.10594 745.38563
|
|
3790.0000 -121.02132 -116.57620 4.44512 2.32323 -115.96896 727.54815
|
|
3795.0000 -120.54654 -116.24550 4.30103 2.25331 -116.91791 701.22182
|
|
3800.0000 -121.06565 -116.08449 4.98116 2.30139 -116.26532 725.24640
|
|
3805.0000 -120.38703 -116.00394 4.38309 2.32942 -115.88485 733.55168
|
|
3810.0000 -119.91191 -115.12615 4.78576 2.33167 -115.85435 749.82151
|
|
3815.0000 -122.00064 -117.03602 4.96462 2.30584 -116.20500 735.60565
|
|
3820.0000 -121.80613 -117.12376 4.68238 2.23351 -117.18660 673.11927
|
|
3825.0000 -120.96118 -116.83936 4.12183 2.26061 -116.81883 678.10686
|
|
3830.0000 -120.77817 -116.66578 4.11239 2.28788 -116.44868 723.17080
|
|
3835.0000 -121.09062 -116.75229 4.33833 2.24379 -117.04703 679.12466
|
|
3840.0000 -121.14483 -116.32791 4.81692 2.29826 -116.30778 719.80263
|
|
3845.0000 -121.71177 -117.44611 4.26567 2.21862 -117.38876 685.90140
|
|
3850.0000 -120.71138 -115.25477 5.45661 2.28447 -116.49501 718.47204
|
|
3855.0000 -120.01722 -115.54480 4.47242 2.32950 -115.88379 760.11282
|
|
3860.0000 -121.24714 -117.11766 4.12948 2.29134 -116.40178 743.17134
|
|
3865.0000 -121.63902 -116.93821 4.70081 2.23608 -117.15172 685.17827
|
|
3870.0000 -122.69949 -116.76174 5.93775 2.18660 -117.82329 628.78316
|
|
3875.0000 -121.88314 -116.63807 5.24507 2.28323 -116.51181 733.88586
|
|
3880.0000 -121.59799 -116.63896 4.95904 2.28027 -116.55194 712.21280
|
|
3885.0000 -120.76044 -114.99732 5.76311 2.34090 -115.72907 774.78901
|
|
3890.0000 -122.43007 -117.77893 4.65114 2.25113 -116.94753 693.63636
|
|
3895.0000 -121.25710 -115.24048 6.01662 2.29304 -116.37861 734.32804
|
|
3900.0000 -122.35619 -117.46593 4.89026 2.29033 -116.41551 727.15286
|
|
3905.0000 -120.71426 -114.46877 6.24549 2.31983 -116.01500 741.38863
|
|
3910.0000 -119.47150 -114.74722 4.72428 2.39768 -114.95844 818.03084
|
|
3915.0000 -121.42347 -116.36227 5.06120 2.37032 -115.32976 787.10466
|
|
3920.0000 -120.55439 -116.58489 3.96949 2.22736 -117.27012 680.14789
|
|
3925.0000 -120.85825 -116.21239 4.64586 2.29652 -116.33147 685.55328
|
|
3930.0000 -120.34433 -115.85231 4.49203 2.32303 -115.97166 732.91404
|
|
3935.0000 -120.64721 -116.04133 4.60588 2.34735 -115.64160 757.51933
|
|
3940.0000 -121.07210 -116.23585 4.83626 2.33850 -115.76163 748.82066
|
|
3945.0000 -119.86758 -115.30010 4.56748 2.34102 -115.72752 759.73744
|
|
3950.0000 -120.79183 -115.55296 5.23887 2.35699 -115.51073 767.03100
|
|
3955.0000 -120.28831 -115.97806 4.31025 2.34985 -115.60768 781.15867
|
|
3960.0000 -121.69547 -115.93283 5.76264 2.33948 -115.74833 784.97391
|
|
3965.0000 -120.43372 -115.70161 4.73211 2.30320 -116.24072 742.32939
|
|
3970.0000 -120.94668 -116.14681 4.79986 2.31240 -116.11589 729.98745
|
|
3975.0000 -121.51157 -116.79062 4.72095 2.28098 -116.54239 743.13285
|
|
3980.0000 -121.61732 -117.45164 4.16568 2.22285 -117.33128 690.93745
|
|
3985.0000 -120.68614 -115.55698 5.12916 2.26492 -116.76030 733.78940
|
|
3990.0000 -121.24801 -115.66838 5.57963 2.34983 -115.60795 793.01414
|
|
3995.0000 -120.98295 -115.08392 5.89903 2.42303 -114.61441 829.28298
|
|
4000.0000 -120.39300 -115.53729 4.85571 2.33087 -115.86523 729.64370
|
|
MELTING PROCESS: loop number 17 T-loop= 749.00000000000000
|
|
main_MD> interactions number 17 at Temperature= 749.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.12948 -2.32979 -1.28464
|
|
force_rgl> df(natom) -0.90604 1.51274 2.25569
|
|
4005.0000 -121.39474 -116.57062 4.82412 2.30975 -116.15194 763.62072
|
|
4010.0000 -120.19381 -115.35872 4.83510 2.33627 -115.79188 742.42265
|
|
4015.0000 -119.42651 -113.50389 5.92262 2.43028 -114.51606 842.34626
|
|
4020.0000 -120.32752 -115.51708 4.81044 2.40773 -114.82204 813.84842
|
|
4025.0000 -120.66817 -115.25438 5.41380 2.39690 -114.96904 799.06634
|
|
4030.0000 -121.03043 -115.42102 5.60940 2.36410 -115.41425 788.42475
|
|
4035.0000 -120.61807 -115.98895 4.62912 2.31165 -116.12604 764.47272
|
|
4040.0000 -120.82398 -117.08997 3.73401 2.28143 -116.53621 725.41760
|
|
4045.0000 -120.93190 -115.63049 5.30141 2.34721 -115.64345 764.28243
|
|
4050.0000 -122.00599 -116.94893 5.05706 2.29098 -116.40656 731.95837
|
|
4055.0000 -120.58537 -115.85369 4.73169 2.34176 -115.71745 771.99520
|
|
4060.0000 -120.85428 -115.98872 4.86556 2.32293 -115.97297 755.78091
|
|
4065.0000 -119.82478 -115.32037 4.50441 2.38500 -115.13060 805.47080
|
|
4070.0000 -120.16232 -115.03094 5.13137 2.34793 -115.63366 749.24140
|
|
4075.0000 -120.37102 -115.46470 4.90632 2.34897 -115.61962 762.60549
|
|
4080.0000 -120.31328 -116.61105 3.70223 2.30839 -116.17039 744.02978
|
|
4085.0000 -121.86231 -117.22172 4.64060 2.25759 -116.85982 719.72383
|
|
4090.0000 -121.32138 -115.55817 5.76321 2.32406 -115.95763 776.44626
|
|
4095.0000 -120.76387 -115.83780 4.92607 2.36932 -115.34333 803.30218
|
|
4100.0000 -120.54118 -116.72704 3.81414 2.30040 -116.27883 717.53748
|
|
4105.0000 -120.89329 -116.37335 4.51994 2.28443 -116.49558 739.64434
|
|
4110.0000 -122.39678 -118.28893 4.10785 2.23884 -117.11429 683.44698
|
|
4115.0000 -121.71580 -117.25189 4.46391 2.16933 -118.05764 623.16147
|
|
4120.0000 -120.82405 -116.37753 4.44652 2.27170 -116.66825 717.91615
|
|
4125.0000 -120.52205 -115.17154 5.35051 2.30688 -116.19083 747.54992
|
|
4130.0000 -120.98808 -116.76392 4.22415 2.29450 -116.35878 743.65844
|
|
4135.0000 -121.54338 -116.70784 4.83553 2.26468 -116.76360 695.42704
|
|
4140.0000 -120.80955 -116.79310 4.01644 2.27907 -116.56827 701.97096
|
|
4145.0000 -121.40194 -115.99418 5.40776 2.32522 -115.94186 740.62168
|
|
4150.0000 -120.65699 -116.22054 4.43645 2.30413 -116.22809 753.87825
|
|
4155.0000 -120.64777 -116.62040 4.02738 2.30538 -116.21114 741.46651
|
|
4160.0000 -121.11822 -116.43007 4.68815 2.32211 -115.98410 766.88123
|
|
4165.0000 -121.29685 -117.04793 4.24892 2.33509 -115.80798 781.86292
|
|
4170.0000 -120.62448 -116.18487 4.43961 2.27553 -116.61628 702.89153
|
|
4175.0000 -119.86581 -115.19276 4.67306 2.33779 -115.77130 723.62495
|
|
4180.0000 -120.39539 -115.93822 4.45717 2.38094 -115.18567 737.25837
|
|
4185.0000 -120.72611 -116.36218 4.36393 2.31280 -116.11051 738.33745
|
|
4190.0000 -121.03420 -116.93457 4.09963 2.24909 -116.97508 686.85104
|
|
4195.0000 -121.48992 -116.56792 4.92200 2.26875 -116.70832 718.64410
|
|
4200.0000 -120.76525 -115.44280 5.32244 2.32918 -115.88815 777.74596
|
|
4205.0000 -121.07094 -115.92122 5.14972 2.33089 -115.86499 779.79358
|
|
4210.0000 -120.48367 -115.26422 5.21945 2.35930 -115.47933 766.79532
|
|
4215.0000 -120.15422 -115.19139 4.96284 2.35450 -115.54453 764.64298
|
|
4220.0000 -120.87904 -116.11428 4.76476 2.32704 -115.91716 750.63024
|
|
4225.0000 -119.56031 -115.12346 4.43685 2.32696 -115.91828 754.44386
|
|
4230.0000 -119.95035 -114.31848 5.63186 2.43747 -114.41843 816.17854
|
|
4235.0000 -120.49879 -115.46743 5.03136 2.39677 -114.97081 797.82898
|
|
4240.0000 -120.34097 -114.95107 5.38991 2.36884 -115.34992 794.63067
|
|
4245.0000 -120.97991 -115.32375 5.65616 2.38004 -115.19787 814.30202
|
|
4250.0000 -120.75011 -115.57834 5.17178 2.33675 -115.78538 758.24000
|
|
MELTING PROCESS: loop number 18 T-loop= 774.00000000000000
|
|
main_MD> interactions number 18 at Temperature= 774.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.46851 5.42470 -2.97940
|
|
force_rgl> df(natom) 0.52531 1.60654 0.52203
|
|
4255.0000 -120.40280 -116.11175 4.29105 2.33610 -115.79425 743.34329
|
|
4260.0000 -119.83888 -114.74874 5.09015 2.36449 -115.40889 757.11921
|
|
4265.0000 -120.15484 -115.29806 4.85677 2.31408 -116.09305 715.16361
|
|
4270.0000 -121.27272 -115.34794 5.92478 2.36358 -115.42134 784.64632
|
|
4275.0000 -119.42304 -115.32680 4.09623 2.37628 -115.24893 777.13044
|
|
4280.0000 -121.18883 -115.99771 5.19111 2.33134 -115.85885 719.80554
|
|
4285.0000 -119.85927 -114.47601 5.38326 2.32542 -115.93923 739.11130
|
|
4290.0000 -120.74753 -115.96836 4.77917 2.33926 -115.75129 748.75881
|
|
4295.0000 -121.05954 -114.94129 6.11824 2.34092 -115.72883 780.80364
|
|
4300.0000 -119.88259 -115.29950 4.58309 2.41129 -114.77381 794.67442
|
|
4305.0000 -120.91483 -115.66588 5.24895 2.36534 -115.39740 798.17378
|
|
4310.0000 -121.52268 -115.84930 5.67337 2.32784 -115.90630 781.95316
|
|
4315.0000 -120.65474 -115.39106 5.26368 2.36913 -115.34599 787.54377
|
|
4320.0000 -119.34560 -113.62120 5.72440 2.36320 -115.42649 792.56205
|
|
4325.0000 -119.77656 -114.30697 5.46959 2.45559 -114.17247 819.70029
|
|
4330.0000 -120.70938 -116.37405 4.33533 2.40580 -114.84830 782.67792
|
|
4335.0000 -119.62446 -114.86470 4.75976 2.39182 -115.03803 785.82820
|
|
4340.0000 -119.26744 -113.41408 5.85337 2.45238 -114.21612 830.82744
|
|
4345.0000 -118.93037 -113.86998 5.06039 2.47240 -113.94439 885.96320
|
|
4350.0000 -119.73820 -113.77261 5.96559 2.48894 -113.71988 863.97531
|
|
4355.0000 -120.07770 -114.54822 5.52948 2.40419 -114.87018 809.86149
|
|
4360.0000 -120.47362 -115.54670 4.92692 2.41800 -114.68276 817.16866
|
|
4365.0000 -118.60315 -114.62071 3.98244 2.38284 -115.15983 779.22464
|
|
4370.0000 -119.63941 -114.57928 5.06013 2.44496 -114.31679 852.72070
|
|
4375.0000 -121.17650 -115.39571 5.78079 2.38070 -115.18898 798.12621
|
|
4380.0000 -120.92033 -115.32560 5.59473 2.37705 -115.23847 790.30018
|
|
4385.0000 -121.12242 -116.80539 4.31703 2.28781 -116.44971 721.39895
|
|
4390.0000 -121.67397 -116.84574 4.82823 2.30006 -116.28337 744.99429
|
|
4395.0000 -121.29140 -116.10173 5.18966 2.27395 -116.63772 727.71521
|
|
4400.0000 -122.10229 -116.96995 5.13234 2.35154 -115.58467 791.05301
|
|
4405.0000 -120.38201 -116.23220 4.14981 2.32451 -115.95156 753.81627
|
|
4410.0000 -121.37319 -116.27169 5.10150 2.31754 -116.04609 770.90970
|
|
4415.0000 -120.69997 -117.38365 3.31632 2.24664 -117.00835 700.25878
|
|
4420.0000 -121.50814 -118.24484 3.26331 2.18851 -117.79731 637.88324
|
|
4425.0000 -120.92230 -116.47734 4.44496 2.18024 -117.90963 630.66183
|
|
4430.0000 -121.03119 -115.62084 5.41035 2.29747 -116.31851 731.01629
|
|
4435.0000 -120.99952 -115.31663 5.68289 2.36377 -115.41869 780.95608
|
|
4440.0000 -120.56489 -115.67480 4.89010 2.33960 -115.74674 764.68858
|
|
4445.0000 -120.77613 -116.19947 4.57666 2.32109 -115.99802 729.89778
|
|
4450.0000 -121.03047 -115.76004 5.27043 2.33303 -115.83598 773.44121
|
|
4455.0000 -121.28220 -115.32190 5.96030 2.38524 -115.12732 833.90232
|
|
4460.0000 -121.64084 -115.92980 5.71103 2.32668 -115.92206 781.80037
|
|
4465.0000 -118.93879 -113.55057 5.38822 2.41811 -114.68119 799.14699
|
|
4470.0000 -120.17335 -115.17407 4.99928 2.42936 -114.52857 831.47923
|
|
4475.0000 -120.15947 -114.45135 5.70812 2.40919 -114.80227 812.70156
|
|
4480.0000 -120.41519 -114.84545 5.56973 2.42292 -114.61590 808.31214
|
|
4485.0000 -120.39643 -115.23846 5.15798 2.42110 -114.64057 798.18721
|
|
4490.0000 -120.84188 -115.27133 5.57055 2.37403 -115.27944 801.24522
|
|
4495.0000 -121.78141 -115.72087 6.06054 2.35833 -115.49247 786.88491
|
|
4500.0000 -120.96696 -115.73227 5.23469 2.34577 -115.66295 800.69116
|
|
MELTING PROCESS: loop number 19 T-loop= 799.00000000000000
|
|
main_MD> interactions number 19 at Temperature= 799.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.06911 -1.35713 -0.91169
|
|
force_rgl> df(natom) -1.23721 -0.89884 -2.21868
|
|
4505.0000 -119.33287 -114.35849 4.97437 2.39580 -114.98395 808.05055
|
|
4510.0000 -119.48568 -114.25289 5.23279 2.44970 -114.25251 836.14488
|
|
4515.0000 -119.50550 -114.00877 5.49673 2.44030 -114.38001 856.93146
|
|
4520.0000 -120.17790 -115.12124 5.05666 2.45961 -114.11801 787.94935
|
|
4525.0000 -119.78783 -114.97940 4.80843 2.38773 -115.09356 766.30744
|
|
4530.0000 -120.71110 -116.07616 4.63494 2.35406 -115.55048 772.93451
|
|
4535.0000 -120.73515 -115.47912 5.25603 2.32928 -115.88685 763.63375
|
|
4540.0000 -120.99784 -115.43780 5.56005 2.35584 -115.52637 773.31826
|
|
4545.0000 -120.41004 -115.23262 5.17742 2.40276 -114.88954 791.90493
|
|
4550.0000 -120.66466 -115.92724 4.73742 2.31113 -116.13319 735.13549
|
|
4555.0000 -120.23881 -114.89874 5.34007 2.34923 -115.61605 778.17848
|
|
4560.0000 -119.52080 -114.37660 5.14420 2.39610 -114.97991 794.47100
|
|
4565.0000 -119.36164 -113.81753 5.54411 2.45089 -114.23631 849.84281
|
|
4570.0000 -121.09277 -115.71704 5.37573 2.38825 -115.08643 820.28309
|
|
4575.0000 -120.87280 -115.90133 4.97147 2.38177 -115.17441 775.86306
|
|
4580.0000 -119.84808 -114.84742 5.00067 2.37152 -115.31358 785.41966
|
|
4585.0000 -118.23627 -113.25577 4.98050 2.43883 -114.40000 818.15905
|
|
4590.0000 -119.71354 -113.28338 6.43016 2.57560 -112.54367 960.29624
|
|
4595.0000 -118.90667 -113.84667 5.06000 2.47702 -113.88169 870.40346
|
|
4600.0000 -119.76697 -114.55169 5.21528 2.45233 -114.21680 851.00498
|
|
4605.0000 -120.42925 -115.35316 5.07609 2.39539 -114.98951 793.27128
|
|
4610.0000 -119.60568 -113.90575 5.69993 2.40427 -114.86899 798.01451
|
|
4615.0000 -120.16313 -114.61285 5.55027 2.47402 -113.92240 864.59104
|
|
4620.0000 -119.59132 -114.72564 4.86568 2.42610 -114.57281 832.60209
|
|
4625.0000 -120.34740 -115.61384 4.73356 2.38187 -115.17312 763.54414
|
|
4630.0000 -119.63204 -113.80588 5.82616 2.42074 -114.64547 811.38014
|
|
4635.0000 -119.54147 -114.82292 4.71855 2.44772 -114.27926 820.61262
|
|
4640.0000 -120.43924 -115.11587 5.32336 2.38619 -115.11449 804.70303
|
|
4645.0000 -119.77505 -114.49657 5.27849 2.40323 -114.88317 839.98261
|
|
4650.0000 -120.27530 -114.45990 5.81540 2.42195 -114.62902 822.76578
|
|
4655.0000 -119.96536 -115.53732 4.42804 2.41403 -114.73661 848.01746
|
|
4660.0000 -120.70842 -116.05094 4.65748 2.31123 -116.13173 732.55257
|
|
4665.0000 -119.06542 -113.39084 5.67458 2.39445 -115.00230 842.79105
|
|
4670.0000 -119.88021 -114.63433 5.24588 2.46702 -114.01741 885.99014
|
|
4675.0000 -119.09969 -113.87340 5.22629 2.43984 -114.38633 827.03665
|
|
4680.0000 -120.72846 -114.88221 5.84625 2.42299 -114.61493 823.54421
|
|
4685.0000 -119.81704 -114.26630 5.55074 2.42633 -114.56965 804.71331
|
|
4690.0000 -121.56331 -116.04673 5.51658 2.39460 -115.00024 804.69362
|
|
4695.0000 -120.89261 -115.49267 5.39994 2.30010 -116.28287 739.13886
|
|
4700.0000 -120.21415 -115.86535 4.34880 2.28814 -116.44522 745.95124
|
|
4705.0000 -120.76175 -115.29646 5.46529 2.39898 -114.94088 818.48246
|
|
4710.0000 -119.87043 -114.98971 4.88072 2.36004 -115.46937 817.81859
|
|
4715.0000 -120.63675 -116.30144 4.33531 2.35104 -115.59152 771.60018
|
|
4720.0000 -121.06760 -115.13310 5.93450 2.34952 -115.61208 798.11152
|
|
4725.0000 -118.70392 -113.73883 4.96509 2.43140 -114.50077 840.62670
|
|
4730.0000 -119.13950 -114.40813 4.73137 2.47126 -113.95989 861.46946
|
|
4735.0000 -118.07495 -111.84592 6.22903 2.50327 -113.52541 885.62955
|
|
4740.0000 -118.98046 -114.23692 4.74354 2.49461 -113.64292 885.24106
|
|
4745.0000 -120.92984 -115.78928 5.14056 2.40775 -114.82182 818.61499
|
|
4750.0000 -121.27717 -116.69946 4.57771 2.27515 -116.62145 670.82013
|
|
MELTING PROCESS: loop number 20 T-loop= 824.00000000000000
|
|
main_MD> interactions number 20 at Temperature= 824.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.34941 -0.77372 -0.50591
|
|
force_rgl> df(natom) -0.66023 1.78226 0.07801
|
|
4755.0000 -119.89059 -114.87623 5.01436 2.33760 -115.77392 741.45429
|
|
4760.0000 -118.88386 -114.14641 4.73745 2.38538 -115.12538 771.04470
|
|
4765.0000 -119.89916 -115.04217 4.85699 2.39173 -115.03929 793.19587
|
|
4770.0000 -119.87481 -114.20922 5.66559 2.44494 -114.31702 835.19342
|
|
4775.0000 -118.30427 -113.92132 4.38295 2.47053 -113.96973 826.69518
|
|
4780.0000 -120.43955 -114.92922 5.51033 2.44940 -114.25659 842.01565
|
|
4785.0000 -121.72404 -116.27399 5.45004 2.38199 -115.17135 767.86999
|
|
4790.0000 -119.67982 -115.33194 4.34789 2.34798 -115.63299 749.70241
|
|
4795.0000 -119.46774 -114.54866 4.91908 2.39853 -114.94697 806.40283
|
|
4800.0000 -120.40166 -115.74496 4.65670 2.38539 -115.12526 786.65546
|
|
4805.0000 -118.30660 -112.91981 5.38679 2.37718 -115.23672 781.27187
|
|
4810.0000 -119.44349 -112.57129 6.87220 2.52384 -113.24616 911.49847
|
|
4815.0000 -118.63279 -112.31279 6.32000 2.59147 -112.32828 956.73596
|
|
4820.0000 -119.83599 -114.65890 5.17709 2.48027 -113.83752 808.63516
|
|
4825.0000 -120.14861 -114.34428 5.80432 2.42452 -114.59418 823.57803
|
|
4830.0000 -118.64866 -113.92457 4.72409 2.50016 -113.56756 837.20612
|
|
4835.0000 -119.37478 -114.27437 5.10041 2.45125 -114.23140 846.90521
|
|
4840.0000 -119.34649 -114.24033 5.10616 2.47486 -113.91102 852.91349
|
|
4845.0000 -118.81437 -113.03895 5.77542 2.53593 -113.08214 913.07851
|
|
4850.0000 -120.29448 -115.64401 4.65047 2.40444 -114.86670 824.49808
|
|
4855.0000 -121.05663 -115.35366 5.70298 2.35976 -115.47306 775.20974
|
|
4860.0000 -120.07528 -115.11222 4.96306 2.35852 -115.48994 792.51731
|
|
4865.0000 -121.72445 -116.20159 5.52286 2.34990 -115.60696 781.52795
|
|
4870.0000 -120.25353 -114.50503 5.74850 2.36898 -115.34804 774.25169
|
|
4875.0000 -119.68641 -114.77858 4.90782 2.46213 -114.08376 883.34752
|
|
4880.0000 -118.64240 -112.37405 6.26836 2.50115 -113.55420 890.59273
|
|
4885.0000 -119.78759 -114.98262 4.80497 2.47654 -113.88824 894.93456
|
|
4890.0000 -121.61063 -116.70754 4.90310 2.41297 -114.75096 802.37019
|
|
4895.0000 -120.17725 -114.33518 5.84207 2.41688 -114.69783 846.11863
|
|
4900.0000 -119.82585 -114.41478 5.41107 2.42052 -114.64843 844.32294
|
|
4905.0000 -120.03929 -114.39193 5.64737 2.41998 -114.65579 801.26240
|
|
4910.0000 -119.41367 -113.56466 5.84901 2.46065 -114.10391 847.57357
|
|
4915.0000 -120.58560 -114.89009 5.69550 2.49079 -113.69484 884.05275
|
|
4920.0000 -121.14169 -116.27984 4.86185 2.33965 -115.74600 761.18481
|
|
4925.0000 -120.17822 -116.06314 4.11508 2.31095 -116.13558 757.13120
|
|
4930.0000 -118.68837 -114.49947 4.18890 2.41984 -114.65768 785.17207
|
|
4935.0000 -119.09986 -114.26050 4.83936 2.42537 -114.58263 805.98600
|
|
4940.0000 -121.70502 -116.51770 5.18732 2.36407 -115.41462 784.06957
|
|
4945.0000 -122.15695 -117.60795 4.54901 2.27888 -116.57082 718.91440
|
|
4950.0000 -121.12788 -116.22047 4.90741 2.23818 -117.12320 708.90531
|
|
4955.0000 -121.67619 -115.63525 6.04094 2.30843 -116.16973 731.43975
|
|
4960.0000 -120.16396 -114.82029 5.34368 2.40653 -114.83839 823.54580
|
|
4965.0000 -121.00203 -115.85425 5.14778 2.41421 -114.73409 804.88254
|
|
4970.0000 -119.68851 -113.59711 6.09140 2.43158 -114.49832 822.67321
|
|
4975.0000 -120.46439 -114.70320 5.76119 2.47173 -113.95350 861.91820
|
|
4980.0000 -120.77504 -115.41750 5.35753 2.29839 -116.30600 748.57214
|
|
4985.0000 -118.75747 -113.35317 5.40430 2.44207 -114.35596 852.61212
|
|
4990.0000 -119.72995 -113.18307 6.54688 2.52946 -113.17001 888.49991
|
|
4995.0000 -119.64474 -114.77526 4.86948 2.46944 -113.98454 841.79310
|
|
5000.0000 -119.50925 -113.24029 6.26896 2.45848 -114.13334 868.26228
|
|
MELTING PROCESS: loop number 21 T-loop= 849.00000000000000
|
|
main_MD> interactions number 21 at Temperature= 849.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.88987 -1.31248 0.22063
|
|
force_rgl> df(natom) -0.36034 0.11255 -0.69916
|
|
5005.0000 -119.69183 -114.64072 5.05112 2.49632 -113.61971 881.56833
|
|
5010.0000 -118.14096 -112.89511 5.24585 2.47123 -113.96018 872.48710
|
|
5015.0000 -118.82267 -112.32640 6.49627 2.57941 -112.49208 959.05616
|
|
5020.0000 -119.88808 -114.87653 5.01156 2.47770 -113.87249 887.15872
|
|
5025.0000 -119.93435 -113.20370 6.73064 2.49048 -113.69904 872.49752
|
|
5030.0000 -120.02394 -114.66742 5.35652 2.49162 -113.68345 868.89751
|
|
5035.0000 -119.93747 -114.17661 5.76086 2.44232 -114.35257 830.77746
|
|
5040.0000 -120.19913 -113.34248 6.85665 2.46587 -114.03295 856.91594
|
|
5045.0000 -119.45013 -113.57279 5.87735 2.52865 -113.18092 898.00431
|
|
5050.0000 -118.89998 -111.66250 7.23748 2.58414 -112.42779 940.02126
|
|
5055.0000 -119.65657 -113.00551 6.65106 2.61437 -112.01752 988.47243
|
|
5060.0000 -119.62821 -113.36645 6.26177 2.49496 -113.63824 860.91884
|
|
5065.0000 -120.56080 -114.41236 6.14844 2.51688 -113.34066 861.33971
|
|
5070.0000 -120.58225 -114.43918 6.14306 2.36912 -115.34603 758.85821
|
|
5075.0000 -120.16292 -115.48720 4.67573 2.36806 -115.36051 776.93959
|
|
5080.0000 -119.10058 -113.31915 5.78143 2.43467 -114.45645 865.14434
|
|
5085.0000 -119.57825 -114.30444 5.27382 2.50509 -113.50076 907.98959
|
|
5090.0000 -119.69121 -113.04651 6.64470 2.49292 -113.66584 867.16378
|
|
5095.0000 -118.47783 -112.75322 5.72462 2.50377 -113.51866 876.11158
|
|
5100.0000 -118.71804 -112.60088 6.11716 2.52566 -113.22156 862.65907
|
|
5105.0000 -118.97924 -112.90963 6.06961 2.54508 -112.95799 930.10754
|
|
5110.0000 -119.91965 -113.76105 6.15860 2.53566 -113.08583 909.72710
|
|
5115.0000 -119.23714 -114.80401 4.43313 2.41795 -114.68340 823.74764
|
|
5120.0000 -120.10665 -113.49406 6.61259 2.44060 -114.37598 869.17018
|
|
5125.0000 -120.58440 -115.93639 4.64801 2.47012 -113.97530 883.15411
|
|
5130.0000 -120.85980 -116.10494 4.75485 2.29504 -116.35148 728.77559
|
|
5135.0000 -119.73047 -113.38229 6.34818 2.42370 -114.60534 856.28568
|
|
5140.0000 -119.53128 -114.52786 5.00342 2.44130 -114.36648 848.11732
|
|
5145.0000 -120.10151 -114.46945 5.63207 2.43208 -114.49160 811.17380
|
|
5150.0000 -119.83569 -114.53597 5.29972 2.44018 -114.38171 837.63997
|
|
5155.0000 -119.89384 -114.71542 5.17841 2.49316 -113.66258 862.83905
|
|
5160.0000 -120.39960 -114.48979 5.90982 2.40312 -114.88470 792.37579
|
|
5165.0000 -120.30230 -114.66971 5.63260 2.45954 -114.11886 851.33164
|
|
5170.0000 -119.93630 -114.33714 5.59916 2.40889 -114.80637 826.86862
|
|
5175.0000 -120.10369 -115.12949 4.97420 2.41623 -114.70674 853.62398
|
|
5180.0000 -119.97925 -114.76408 5.21517 2.41654 -114.70257 813.42938
|
|
5185.0000 -119.52794 -113.56021 5.96773 2.46379 -114.06122 856.77353
|
|
5190.0000 -120.29909 -114.89738 5.40171 2.44253 -114.34978 810.78381
|
|
5195.0000 -117.95751 -112.72024 5.23727 2.49434 -113.64659 859.19624
|
|
5200.0000 -119.11766 -112.91371 6.20395 2.57716 -112.52257 939.62416
|
|
5205.0000 -118.93862 -113.20171 5.73691 2.50057 -113.56207 881.95655
|
|
5210.0000 -118.37785 -112.81323 5.56462 2.55413 -112.83513 909.77610
|
|
5215.0000 -119.39982 -113.85037 5.54945 2.51144 -113.41456 874.45986
|
|
5220.0000 -120.26910 -115.21122 5.05788 2.42951 -114.52644 844.79231
|
|
5225.0000 -119.90868 -115.14547 4.76321 2.36976 -115.33735 769.82672
|
|
5230.0000 -118.50105 -113.80973 4.69132 2.38512 -115.12888 781.03600
|
|
5235.0000 -120.69824 -115.32306 5.37518 2.42417 -114.59900 841.86805
|
|
5240.0000 -119.03640 -114.49704 4.53936 2.38106 -115.18409 780.34883
|
|
5245.0000 -120.10331 -114.89472 5.20859 2.43534 -114.44737 824.23605
|
|
5250.0000 -119.47868 -112.96990 6.50878 2.46572 -114.03503 831.47978
|
|
MELTING PROCESS: loop number 22 T-loop= 874.00000000000000
|
|
main_MD> interactions number 22 at Temperature= 874.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.15502 1.46386 3.10393
|
|
force_rgl> df(natom) 1.52587 1.51341 -0.80736
|
|
5255.0000 -119.90565 -113.96804 5.93761 2.49695 -113.61121 868.79779
|
|
5260.0000 -119.64853 -114.91974 4.72878 2.43255 -114.48519 862.75249
|
|
5265.0000 -120.33149 -114.30533 6.02616 2.44401 -114.32970 856.65444
|
|
5270.0000 -120.11576 -113.37219 6.74358 2.49405 -113.65051 848.92687
|
|
5275.0000 -119.97529 -114.48887 5.48642 2.50953 -113.44043 902.16106
|
|
5280.0000 -118.93859 -113.41873 5.51986 2.48515 -113.77134 867.99843
|
|
5285.0000 -119.06800 -112.86331 6.20469 2.54863 -112.90978 935.09283
|
|
5290.0000 -119.66852 -113.42863 6.23989 2.55793 -112.78360 928.52149
|
|
5295.0000 -119.90384 -114.30828 5.59556 2.48657 -113.75211 893.79220
|
|
5300.0000 -119.94783 -114.15572 5.79211 2.48967 -113.70998 877.14335
|
|
5305.0000 -118.46691 -113.56225 4.90466 2.48855 -113.72522 877.22916
|
|
5310.0000 -120.31449 -114.58529 5.72920 2.46945 -113.98434 855.69550
|
|
5315.0000 -118.42021 -113.71538 4.70483 2.52188 -113.27280 905.14209
|
|
5320.0000 -118.75282 -113.66432 5.08850 2.48995 -113.70617 867.05870
|
|
5325.0000 -119.09049 -113.66461 5.42588 2.53906 -113.03960 899.89596
|
|
5330.0000 -118.76641 -114.36921 4.39720 2.46667 -114.02213 849.84633
|
|
5335.0000 -119.53501 -114.56373 4.97129 2.45607 -114.16603 841.75337
|
|
5340.0000 -120.55941 -115.05951 5.49990 2.41002 -114.79101 805.48536
|
|
5345.0000 -120.15899 -114.65174 5.50725 2.40662 -114.83715 806.78382
|
|
5350.0000 -118.87191 -114.08193 4.78998 2.49253 -113.67122 856.34015
|
|
5355.0000 -119.65607 -113.76154 5.89453 2.46659 -114.02329 855.24967
|
|
5360.0000 -118.55256 -112.76501 5.78756 2.49435 -113.64653 876.28688
|
|
5365.0000 -119.46120 -113.66620 5.79500 2.51769 -113.32968 887.16193
|
|
5370.0000 -120.19744 -114.69785 5.49959 2.47011 -113.97541 846.11420
|
|
5375.0000 -119.83018 -113.81510 6.01508 2.44293 -114.34440 853.15114
|
|
5380.0000 -120.38804 -114.05904 6.32899 2.50008 -113.56865 885.01929
|
|
5385.0000 -118.53532 -112.38616 6.14916 2.54346 -112.97998 918.57499
|
|
5390.0000 -119.55569 -112.45783 7.09786 2.59579 -112.26975 945.47145
|
|
5395.0000 -117.89273 -112.15908 5.73366 2.54865 -112.90945 943.06032
|
|
5400.0000 -118.64345 -112.88776 5.75568 2.58866 -112.36651 967.46078
|
|
5405.0000 -118.68072 -113.50560 5.17512 2.49503 -113.63724 862.73651
|
|
5410.0000 -118.38046 -113.01259 5.36787 2.46500 -114.04477 850.35823
|
|
5415.0000 -120.04599 -113.25554 6.79045 2.52733 -113.19882 885.28229
|
|
5420.0000 -118.99523 -113.84860 5.14663 2.45090 -114.23614 831.18440
|
|
5425.0000 -119.81944 -114.42885 5.39059 2.44097 -114.37097 818.19709
|
|
5430.0000 -118.81494 -113.08606 5.72889 2.46449 -114.05179 844.32871
|
|
5435.0000 -118.89136 -111.66231 7.22905 2.62795 -111.83322 975.47782
|
|
5440.0000 -118.82696 -113.27233 5.55463 2.57258 -112.58479 964.68885
|
|
5445.0000 -117.87284 -112.34817 5.52467 2.58905 -112.36116 969.39251
|
|
5450.0000 -118.80867 -112.94129 5.86738 2.49935 -113.57856 913.20878
|
|
5455.0000 -119.91128 -114.03331 5.87797 2.51946 -113.30560 914.92806
|
|
5460.0000 -120.21400 -113.76906 6.44494 2.43936 -114.39284 865.75190
|
|
5465.0000 -118.34478 -113.00048 5.34429 2.44654 -114.29532 837.44302
|
|
5470.0000 -119.34920 -113.77253 5.57667 2.49454 -113.64394 882.97551
|
|
5475.0000 -120.26042 -116.02280 4.23763 2.42916 -114.53119 825.86624
|
|
5480.0000 -119.07396 -112.21452 6.85944 2.48293 -113.80149 876.22374
|
|
5485.0000 -120.30496 -114.93571 5.36924 2.48112 -113.82603 862.56464
|
|
5490.0000 -118.71268 -113.77467 4.93802 2.45396 -114.19460 852.00641
|
|
5495.0000 -119.60559 -114.31250 5.29309 2.47049 -113.97035 839.65199
|
|
5500.0000 -119.46025 -113.32377 6.13647 2.44451 -114.32286 840.97255
|
|
MELTING PROCESS: loop number 23 T-loop= 899.00000000000000
|
|
main_MD> interactions number 23 at Temperature= 899.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.87651 1.04729 -0.27133
|
|
force_rgl> df(natom) -4.14530 -6.52773 -3.66756
|
|
5505.0000 -120.45893 -114.54926 5.90968 2.47536 -113.90419 890.16143
|
|
5510.0000 -120.94441 -115.70336 5.24104 2.40915 -114.80282 812.14117
|
|
5515.0000 -119.07638 -114.23123 4.84515 2.38735 -115.09873 793.09465
|
|
5520.0000 -118.25996 -113.16804 5.09192 2.52775 -113.19319 880.67496
|
|
5525.0000 -119.79698 -114.10548 5.69150 2.47625 -113.89218 891.20808
|
|
5530.0000 -118.22114 -113.30113 4.92001 2.56793 -112.64778 920.44521
|
|
5535.0000 -118.72939 -113.08111 5.64828 2.54182 -113.00214 914.77275
|
|
5540.0000 -119.08881 -112.71106 6.37775 2.53911 -113.03901 894.39316
|
|
5545.0000 -119.05002 -113.12433 5.92569 2.61074 -112.06679 970.77401
|
|
5550.0000 -120.13126 -113.48964 6.64162 2.53110 -113.14769 913.98236
|
|
5555.0000 -118.85470 -113.38518 5.46951 2.47789 -113.86987 874.52603
|
|
5560.0000 -118.72755 -113.53817 5.18938 2.51374 -113.38336 859.24136
|
|
5565.0000 -118.90557 -113.24476 5.66081 2.49346 -113.65860 879.85642
|
|
5570.0000 -119.24159 -113.44968 5.79191 2.56461 -112.69284 926.58311
|
|
5575.0000 -119.73621 -114.77771 4.95850 2.51323 -113.39017 908.23843
|
|
5580.0000 -119.87959 -113.58762 6.29197 2.45131 -114.23063 835.23249
|
|
5585.0000 -119.31359 -113.75037 5.56322 2.50749 -113.46807 859.68094
|
|
5590.0000 -120.60079 -116.09336 4.50743 2.43749 -114.41814 829.58677
|
|
5595.0000 -119.02040 -114.33074 4.68966 2.37791 -115.22685 785.81191
|
|
5600.0000 -119.48828 -114.69791 4.79038 2.42069 -114.64620 815.58365
|
|
5605.0000 -119.54973 -114.38159 5.16814 2.48062 -113.83287 842.96077
|
|
5610.0000 -120.15025 -113.43373 6.71652 2.44018 -114.38163 843.35214
|
|
5615.0000 -118.88314 -114.66601 4.21713 2.50455 -113.50806 906.94392
|
|
5620.0000 -119.60253 -114.84303 4.75950 2.36725 -115.37144 771.42743
|
|
5625.0000 -119.77805 -113.60168 6.17637 2.49769 -113.60108 886.88984
|
|
5630.0000 -119.76059 -114.21526 5.54534 2.49026 -113.70195 871.28835
|
|
5635.0000 -119.33086 -113.33535 5.99552 2.46790 -114.00548 836.64893
|
|
5640.0000 -118.47473 -112.20188 6.27286 2.59553 -112.27323 931.65412
|
|
5645.0000 -118.50886 -112.38196 6.12690 2.64521 -111.59896 1001.97176
|
|
5650.0000 -117.46133 -112.25903 5.20230 2.63152 -111.78478 997.02115
|
|
5655.0000 -118.25027 -112.85951 5.39076 2.53676 -113.07093 923.41416
|
|
5660.0000 -119.08245 -112.65112 6.43133 2.56654 -112.66667 951.29786
|
|
5665.0000 -119.96393 -113.03883 6.92510 2.51430 -113.37575 882.45838
|
|
5670.0000 -117.90601 -112.88874 5.01727 2.52446 -113.23778 929.79303
|
|
5675.0000 -117.74738 -112.24848 5.49890 2.54652 -112.93837 921.74230
|
|
5680.0000 -117.77895 -112.29521 5.48374 2.63489 -111.73911 970.79066
|
|
5685.0000 -119.35869 -113.27553 6.08316 2.54912 -112.90308 904.07914
|
|
5690.0000 -120.43328 -114.55856 5.87472 2.52513 -113.22867 952.43903
|
|
5695.0000 -120.57649 -115.08158 5.49492 2.45629 -114.16301 839.36087
|
|
5700.0000 -119.58267 -114.10662 5.47605 2.45340 -114.20221 845.34034
|
|
5705.0000 -120.44400 -115.16968 5.27432 2.42225 -114.62497 843.43765
|
|
5710.0000 -118.87589 -112.97465 5.90125 2.45307 -114.20665 872.59025
|
|
5715.0000 -119.79528 -113.64560 6.14968 2.54248 -112.99326 915.51845
|
|
5720.0000 -118.51609 -112.90718 5.60891 2.51817 -113.32316 920.58247
|
|
5725.0000 -119.84879 -114.61916 5.22963 2.51634 -113.34798 881.17102
|
|
5730.0000 -120.14814 -114.75859 5.38954 2.42144 -114.63598 831.48283
|
|
5735.0000 -120.14773 -114.56851 5.57922 2.39495 -114.99557 804.80108
|
|
5740.0000 -120.17031 -114.08131 6.08900 2.45811 -114.13828 842.89033
|
|
5745.0000 -119.40873 -114.08014 5.32860 2.45455 -114.18669 864.17757
|
|
5750.0000 -120.47434 -113.97902 6.49532 2.46013 -114.11094 855.02401
|
|
MELTING PROCESS: loop number 24 T-loop= 924.00000000000000
|
|
main_MD> interactions number 24 at Temperature= 924.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.82656 0.32319 -1.64600
|
|
force_rgl> df(natom) -4.75859 2.26126 -0.18590
|
|
5755.0000 -120.46345 -114.79841 5.66504 2.45982 -114.11512 866.42488
|
|
5760.0000 -119.89802 -113.56477 6.33325 2.49191 -113.67953 899.86552
|
|
5765.0000 -119.31671 -113.68351 5.63320 2.48510 -113.77204 898.02622
|
|
5770.0000 -119.13811 -113.09869 6.03942 2.54399 -112.97271 930.96504
|
|
5775.0000 -119.16504 -112.24339 6.92164 2.52532 -113.22610 878.22222
|
|
5780.0000 -118.46052 -112.22555 6.23496 2.56596 -112.67451 939.78888
|
|
5785.0000 -117.85992 -112.16630 5.69362 2.60138 -112.19390 962.79995
|
|
5790.0000 -117.46357 -111.43511 6.02846 2.64564 -111.59309 994.53102
|
|
5795.0000 -118.15354 -111.07370 7.07984 2.69255 -110.95646 1029.27724
|
|
5800.0000 -118.14264 -112.71529 5.42734 2.65081 -111.52303 969.91038
|
|
5805.0000 -116.54899 -110.20667 6.34233 2.63627 -111.72026 955.32256
|
|
5810.0000 -117.31901 -110.87717 6.44184 2.69447 -110.93041 1011.58104
|
|
5815.0000 -117.27125 -110.75892 6.51234 2.61001 -112.07677 955.08769
|
|
5820.0000 -116.54778 -109.77196 6.77582 2.66348 -111.35098 982.72025
|
|
5825.0000 -118.61257 -112.76956 5.84301 2.66890 -111.27749 1007.74818
|
|
5830.0000 -119.99748 -113.73758 6.25990 2.51319 -113.39073 915.32026
|
|
5835.0000 -117.78858 -111.78075 6.00782 2.58925 -112.35852 950.09928
|
|
5840.0000 -119.29245 -113.48814 5.80432 2.54691 -112.93305 903.32404
|
|
5845.0000 -118.81331 -113.49967 5.31364 2.49475 -113.64107 882.83036
|
|
5850.0000 -119.05913 -112.91874 6.14039 2.56569 -112.67827 931.23580
|
|
5855.0000 -120.47107 -112.69430 7.77678 2.51115 -113.41839 906.54733
|
|
5860.0000 -118.84468 -113.66681 5.17787 2.49722 -113.60749 898.66081
|
|
5865.0000 -118.56351 -111.20161 7.36191 2.52137 -113.27975 898.08672
|
|
5870.0000 -117.95839 -111.59453 6.36386 2.68559 -111.05087 998.18350
|
|
5875.0000 -118.73345 -111.30574 7.42772 2.67874 -111.14384 976.59891
|
|
5880.0000 -118.28184 -111.59828 6.68356 2.62187 -111.91573 993.87491
|
|
5885.0000 -118.22177 -111.82798 6.39379 2.60769 -112.10822 984.47565
|
|
5890.0000 -120.08343 -112.31887 7.76456 2.62186 -111.91586 996.63307
|
|
5895.0000 -118.91913 -113.64471 5.27442 2.53019 -113.16009 914.95345
|
|
5900.0000 -118.81060 -112.82165 5.98895 2.47385 -113.92470 857.33409
|
|
5905.0000 -118.86766 -112.42196 6.44570 2.51904 -113.31133 875.12706
|
|
5910.0000 -118.47520 -112.69885 5.77635 2.53392 -113.10939 929.91232
|
|
5915.0000 -118.96287 -111.48595 7.47692 2.57762 -112.51636 971.39483
|
|
5920.0000 -118.76916 -112.43169 6.33747 2.63935 -111.67853 961.46229
|
|
5925.0000 -119.30237 -114.89426 4.40810 2.50211 -113.54112 848.41817
|
|
5930.0000 -118.54078 -112.09125 6.44953 2.50693 -113.47578 875.88117
|
|
5935.0000 -118.27798 -112.41530 5.86268 2.61794 -111.96906 942.38823
|
|
5940.0000 -117.21156 -111.70022 5.51134 2.56838 -112.64172 930.60532
|
|
5945.0000 -119.97131 -113.62313 6.34818 2.53110 -113.14762 902.00569
|
|
5950.0000 -119.72382 -114.41985 5.30397 2.46852 -113.99707 885.79282
|
|
5955.0000 -118.99020 -113.15015 5.84005 2.46831 -113.99983 853.82011
|
|
5960.0000 -118.86051 -112.90109 5.95942 2.58690 -112.39036 928.21338
|
|
5965.0000 -119.45392 -113.09587 6.35805 2.56294 -112.71562 941.07008
|
|
5970.0000 -119.09370 -112.77117 6.32254 2.52963 -113.16766 936.44682
|
|
5975.0000 -117.59885 -111.59240 6.00644 2.66153 -111.37746 1031.13462
|
|
5980.0000 -116.82843 -110.90651 5.92192 2.66682 -111.30573 974.92950
|
|
5985.0000 -118.66126 -111.69661 6.96465 2.63447 -111.74477 959.51863
|
|
5990.0000 -119.02931 -112.79867 6.23064 2.61903 -111.95435 987.54366
|
|
5995.0000 -119.04953 -112.47927 6.57026 2.56684 -112.66265 932.59928
|
|
6000.0000 -118.53371 -112.80966 5.72405 2.57391 -112.56661 940.10913
|
|
MELTING PROCESS: loop number 25 T-loop= 949.00000000000000
|
|
main_MD> interactions number 25 at Temperature= 949.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.11310 -0.79624 0.18428
|
|
force_rgl> df(natom) 1.50516 -1.98659 2.28395
|
|
6005.0000 -119.30395 -112.93011 6.37384 2.56840 -112.64141 967.52224
|
|
6010.0000 -118.49269 -113.03764 5.45505 2.54441 -112.96703 912.59556
|
|
6015.0000 -118.23107 -113.02343 5.20764 2.57985 -112.48607 965.70832
|
|
6020.0000 -117.61374 -112.47134 5.14240 2.55212 -112.86244 918.04869
|
|
6025.0000 -119.07656 -113.40014 5.67641 2.60786 -112.10590 974.01467
|
|
6030.0000 -118.29168 -113.79054 4.50114 2.51374 -113.38329 870.34709
|
|
6035.0000 -118.88409 -111.67411 7.20998 2.58251 -112.44992 928.02392
|
|
6040.0000 -118.25429 -112.08891 6.16538 2.63869 -111.68752 989.01289
|
|
6045.0000 -116.96766 -111.54350 5.42416 2.59750 -112.24650 964.01721
|
|
6050.0000 -117.52637 -110.47265 7.05372 2.63358 -111.75678 973.95086
|
|
6055.0000 -117.91344 -111.87111 6.04233 2.74962 -110.18186 1063.38985
|
|
6060.0000 -117.67014 -111.62381 6.04633 2.65480 -111.46885 986.38705
|
|
6065.0000 -118.13368 -111.68809 6.44559 2.65692 -111.44006 1027.59747
|
|
6070.0000 -117.18099 -110.29413 6.88686 2.79034 -109.62926 1096.61859
|
|
6075.0000 -118.05897 -111.41724 6.64173 2.69049 -110.98448 1015.08979
|
|
6080.0000 -116.11378 -109.97753 6.13624 2.67455 -111.20071 1034.15401
|
|
6085.0000 -117.63050 -111.25228 6.37822 2.71552 -110.64469 1050.75073
|
|
6090.0000 -117.22043 -111.13149 6.08894 2.76123 -110.02438 1063.18795
|
|
6095.0000 -117.83048 -111.46245 6.36802 2.63823 -111.69376 1023.36949
|
|
6100.0000 -118.20727 -112.15589 6.05138 2.64925 -111.54417 991.96850
|
|
6105.0000 -118.70726 -112.93156 5.77570 2.57297 -112.57940 924.48587
|
|
6110.0000 -118.07195 -111.85308 6.21887 2.56685 -112.66253 945.42086
|
|
6115.0000 -118.72960 -112.84101 5.88859 2.59626 -112.26339 936.42042
|
|
6120.0000 -117.86526 -111.61970 6.24556 2.56900 -112.63336 940.64564
|
|
6125.0000 -118.26307 -113.17288 5.09020 2.50395 -113.51623 892.02110
|
|
6130.0000 -118.38792 -112.25970 6.12823 2.60616 -112.12901 969.69400
|
|
6135.0000 -118.18748 -113.31888 4.86860 2.55486 -112.82525 907.98375
|
|
6140.0000 -115.87414 -110.27837 5.59577 2.66508 -111.32934 988.45382
|
|
6145.0000 -118.23866 -112.08000 6.15867 2.64210 -111.64115 990.63219
|
|
6150.0000 -117.59002 -112.02557 5.56445 2.60058 -112.20464 942.84884
|
|
6155.0000 -118.05611 -111.33232 6.72379 2.64269 -111.63316 980.60203
|
|
6160.0000 -119.06683 -112.76664 6.30019 2.62339 -111.89516 955.50748
|
|
6165.0000 -116.97706 -111.81953 5.15753 2.63702 -111.71013 974.66846
|
|
6170.0000 -119.14083 -113.28666 5.85418 2.59059 -112.34024 943.49208
|
|
6175.0000 -118.18000 -112.69978 5.48022 2.57115 -112.60406 913.53525
|
|
6180.0000 -118.66601 -110.85893 7.80709 2.63755 -111.70291 955.84331
|
|
6185.0000 -118.01904 -110.96929 7.04975 2.74846 -110.19768 1084.67585
|
|
6190.0000 -119.26742 -113.28919 5.97823 2.59623 -112.26370 975.93775
|
|
6195.0000 -119.01593 -112.73209 6.28384 2.48470 -113.77747 889.66454
|
|
6200.0000 -118.39257 -112.10636 6.28621 2.56430 -112.69710 950.79829
|
|
6205.0000 -118.82021 -113.01709 5.80312 2.61227 -112.04605 969.91064
|
|
6210.0000 -119.23913 -112.39889 6.84024 2.55841 -112.77705 934.08462
|
|
6215.0000 -118.13878 -112.59286 5.54592 2.55498 -112.82357 904.67246
|
|
6220.0000 -119.21857 -112.96021 6.25836 2.54891 -112.90601 910.19191
|
|
6225.0000 -117.08639 -110.99096 6.09543 2.60204 -112.18494 975.80498
|
|
6230.0000 -118.27784 -113.31906 4.95878 2.61909 -111.95349 915.47009
|
|
6235.0000 -117.95495 -111.97820 5.97675 2.60567 -112.13561 921.37466
|
|
6240.0000 -118.96579 -112.70776 6.25802 2.56585 -112.67602 947.04485
|
|
6245.0000 -117.62156 -111.63816 5.98340 2.60041 -112.20698 969.77458
|
|
6250.0000 -117.93127 -111.52501 6.40626 2.57955 -112.49007 942.00715
|
|
MELTING PROCESS: loop number 26 T-loop= 974.00000000000000
|
|
main_MD> interactions number 26 at Temperature= 974.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.78559 -2.10493 0.03494
|
|
force_rgl> df(natom) 0.06580 -0.65350 1.29577
|
|
6255.0000 -119.41103 -113.87662 5.53441 2.51415 -113.37775 896.72859
|
|
6260.0000 -118.94973 -113.39326 5.55648 2.51713 -113.33735 885.47714
|
|
6265.0000 -119.18903 -112.58268 6.60636 2.57984 -112.48621 966.95184
|
|
6270.0000 -118.18875 -111.06251 7.12625 2.58907 -112.36090 969.09124
|
|
6275.0000 -118.16557 -112.21717 5.94840 2.66018 -111.39581 1012.81238
|
|
6280.0000 -118.71602 -112.68357 6.03245 2.57838 -112.50599 966.40495
|
|
6285.0000 -117.27108 -111.14086 6.13021 2.60813 -112.10229 934.58001
|
|
6290.0000 -118.22870 -111.57909 6.64961 2.63110 -111.79054 1001.63645
|
|
6295.0000 -117.90939 -111.32448 6.58492 2.67595 -111.18174 1018.91849
|
|
6300.0000 -117.40753 -112.31231 5.09522 2.70680 -110.76301 1040.13249
|
|
6305.0000 -118.46280 -111.91468 6.54812 2.63769 -111.70110 947.06569
|
|
6310.0000 -118.65997 -113.08487 5.57509 2.61583 -111.99777 985.00774
|
|
6315.0000 -120.12441 -113.50758 6.61684 2.48145 -113.82154 888.06636
|
|
6320.0000 -118.71303 -111.97475 6.73829 2.56380 -112.70394 934.74684
|
|
6325.0000 -120.24444 -113.96386 6.28058 2.50983 -113.43637 891.70306
|
|
6330.0000 -118.72510 -113.19498 5.53012 2.53131 -113.14489 913.09678
|
|
6335.0000 -118.78201 -112.74575 6.03625 2.54350 -112.97934 894.20268
|
|
6340.0000 -120.07179 -114.96054 5.11125 2.46543 -114.03899 879.98168
|
|
6345.0000 -120.06214 -113.35533 6.70681 2.42079 -114.64489 877.90068
|
|
6350.0000 -118.74065 -113.65521 5.08544 2.47951 -113.84782 881.34601
|
|
6355.0000 -119.10595 -113.11134 5.99461 2.54150 -113.00659 916.86222
|
|
6360.0000 -118.85275 -113.25722 5.59552 2.55634 -112.80508 903.37531
|
|
6365.0000 -118.74114 -111.40603 7.33511 2.63100 -111.79189 943.47059
|
|
6370.0000 -117.92547 -110.98544 6.94003 2.65701 -111.43887 1006.12804
|
|
6375.0000 -117.54051 -109.98677 7.55374 2.71015 -110.71757 1064.65991
|
|
6380.0000 -118.96617 -112.55188 6.41429 2.66259 -111.36311 1005.75026
|
|
6385.0000 -118.88940 -113.59581 5.29359 2.54805 -112.91767 928.00300
|
|
6390.0000 -120.16609 -114.07890 6.08719 2.48652 -113.75271 879.29396
|
|
6395.0000 -119.35186 -113.52914 5.82272 2.50915 -113.44555 897.99212
|
|
6400.0000 -118.89132 -112.74803 6.14329 2.57770 -112.51528 977.07732
|
|
6405.0000 -118.33745 -111.91049 6.42696 2.57077 -112.60930 947.81685
|
|
6410.0000 -118.91012 -112.57687 6.33325 2.59867 -112.23063 969.15693
|
|
6415.0000 -119.11803 -111.49397 7.62406 2.62420 -111.88413 975.23029
|
|
6420.0000 -118.50976 -111.68220 6.82756 2.70815 -110.74480 1074.89476
|
|
6425.0000 -119.12374 -112.09453 7.02921 2.64052 -111.66262 1007.51026
|
|
6430.0000 -117.42351 -111.28537 6.13814 2.66588 -111.31848 976.05684
|
|
6435.0000 -116.44659 -110.12269 6.32390 2.71236 -110.68758 1025.71505
|
|
6440.0000 -117.77439 -110.29604 7.47835 2.78220 -109.73978 1065.32874
|
|
6445.0000 -116.73199 -110.31384 6.41816 2.66381 -111.34658 973.68200
|
|
6450.0000 -119.48585 -113.47075 6.01510 2.62122 -111.92461 976.54169
|
|
6455.0000 -118.76955 -112.24156 6.52799 2.56104 -112.74132 950.75030
|
|
6460.0000 -117.75579 -111.79558 5.96021 2.62848 -111.82607 983.02909
|
|
6465.0000 -116.98458 -111.09551 5.88907 2.55310 -112.84914 908.81081
|
|
6470.0000 -118.18573 -112.45135 5.73438 2.62793 -111.83349 939.78778
|
|
6475.0000 -119.32140 -112.93124 6.39017 2.57269 -112.58316 931.25190
|
|
6480.0000 -119.99544 -113.69264 6.30279 2.53300 -113.12186 906.37981
|
|
6485.0000 -118.23004 -111.98346 6.24659 2.51558 -113.35839 909.85227
|
|
6490.0000 -118.00084 -112.35436 5.64648 2.58925 -112.35850 977.65392
|
|
6495.0000 -118.60530 -111.91757 6.68774 2.59856 -112.23213 958.91829
|
|
6500.0000 -118.77282 -112.80221 5.97061 2.61210 -112.04838 963.81674
|
|
MELTING PROCESS: loop number 27 T-loop= 999.00000000000000
|
|
main_MD> interactions number 27 at Temperature= 999.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.20781 -2.62704 1.67584
|
|
force_rgl> df(natom) -1.19674 -0.71801 -0.23856
|
|
6505.0000 -118.13108 -110.30388 7.82720 2.63950 -111.67648 991.38479
|
|
6510.0000 -118.04492 -111.86351 6.18141 2.69203 -110.96356 1010.85961
|
|
6515.0000 -118.30232 -112.62770 5.67462 2.61789 -111.96979 965.19422
|
|
6520.0000 -118.38860 -111.29385 7.09474 2.59606 -112.26606 952.36088
|
|
6525.0000 -118.53917 -111.26152 7.27765 2.64594 -111.58908 1020.21769
|
|
6530.0000 -115.47190 -108.77412 6.69778 2.67406 -111.20749 1021.55992
|
|
6535.0000 -118.70698 -111.06410 7.64288 2.74095 -110.29957 1033.39184
|
|
6540.0000 -118.04548 -111.33733 6.70816 2.71963 -110.58896 1050.55152
|
|
6545.0000 -117.30832 -111.30307 6.00525 2.66862 -111.28129 996.68849
|
|
6550.0000 -117.59408 -111.54754 6.04654 2.65112 -111.51882 1015.86669
|
|
6555.0000 -117.85837 -110.83023 7.02813 2.63569 -111.72817 994.41900
|
|
6560.0000 -117.47042 -111.02662 6.44381 2.66236 -111.36623 1018.53707
|
|
6565.0000 -118.61844 -113.24216 5.37628 2.61029 -112.07289 981.51617
|
|
6570.0000 -118.32213 -112.01453 6.30760 2.61756 -111.97426 978.82508
|
|
6575.0000 -118.55611 -112.71216 5.84395 2.61484 -112.01114 936.08317
|
|
6580.0000 -117.88118 -112.83133 5.04985 2.56219 -112.72567 916.33210
|
|
6585.0000 -117.94576 -112.97505 4.97071 2.55469 -112.82759 927.28855
|
|
6590.0000 -118.79693 -111.46980 7.32714 2.65892 -111.41285 978.74246
|
|
6595.0000 -118.72976 -112.44250 6.28725 2.63528 -111.73380 1014.80094
|
|
6600.0000 -118.54886 -112.38636 6.16250 2.62008 -111.94007 972.70770
|
|
6605.0000 -119.44583 -113.09478 6.35106 2.51569 -113.35679 884.58269
|
|
6610.0000 -118.53034 -112.58830 5.94204 2.51625 -113.34923 880.08233
|
|
6615.0000 -117.96206 -111.57979 6.38227 2.64059 -111.66162 1020.01236
|
|
6620.0000 -117.83378 -112.60763 5.22615 2.63598 -111.72425 979.16447
|
|
6625.0000 -119.94632 -112.38640 7.55992 2.55751 -112.78929 897.08698
|
|
6630.0000 -118.00002 -111.36830 6.63172 2.65757 -111.43129 994.78941
|
|
6635.0000 -119.33937 -112.67639 6.66298 2.59806 -112.23885 986.82036
|
|
6640.0000 -118.23148 -111.64991 6.58157 2.62138 -111.92245 986.70774
|
|
6645.0000 -119.12096 -112.55400 6.56696 2.62703 -111.84573 1010.56318
|
|
6650.0000 -118.75846 -113.42258 5.33588 2.49094 -113.69271 928.23723
|
|
6655.0000 -116.70089 -109.12623 7.57466 2.67358 -111.21400 1053.16867
|
|
6660.0000 -116.80419 -110.78214 6.02205 2.73084 -110.43681 1034.17952
|
|
6665.0000 -116.43551 -110.72671 5.70880 2.64261 -111.63425 954.28177
|
|
6670.0000 -115.93994 -110.20766 5.73228 2.71141 -110.70055 1024.61266
|
|
6675.0000 -117.01336 -110.55378 6.45958 2.75542 -110.10318 1074.03369
|
|
6680.0000 -117.71175 -112.91551 4.79624 2.64222 -111.63954 1000.87988
|
|
6685.0000 -117.41449 -111.41182 6.00267 2.57550 -112.54515 935.26340
|
|
6690.0000 -118.17581 -111.53095 6.64486 2.62510 -111.87185 990.76324
|
|
6695.0000 -118.09390 -110.23050 7.86340 2.73605 -110.36613 1069.60489
|
|
6700.0000 -118.83688 -111.39062 7.44626 2.69434 -110.93214 1027.90160
|
|
6705.0000 -117.69569 -110.47121 7.22447 2.67536 -111.18974 1006.50506
|
|
6710.0000 -117.29222 -110.91458 6.37765 2.71648 -110.63169 1088.77904
|
|
6715.0000 -116.76444 -110.74509 6.01935 2.70169 -110.83245 1046.77241
|
|
6720.0000 -118.16188 -111.80839 6.35348 2.68687 -111.03356 1006.92119
|
|
6725.0000 -116.93484 -110.14732 6.78752 2.66988 -111.26421 989.52356
|
|
6730.0000 -117.35071 -111.10630 6.24441 2.78063 -109.76103 1089.03714
|
|
6735.0000 -117.75351 -110.54104 7.21247 2.69831 -110.87832 1017.86974
|
|
6740.0000 -117.40198 -110.86034 6.54165 2.65178 -111.50983 977.42840
|
|
6745.0000 -119.54655 -113.77533 5.77122 2.64948 -111.54104 1008.20037
|
|
6750.0000 -119.06895 -113.13141 5.93753 2.47286 -113.93807 857.06640
|
|
MELTING PROCESS: loop number 28 T-loop= 1024.0000000000000
|
|
main_MD> interactions number 28 at Temperature= 1024.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.88119 2.14189 -1.74306
|
|
force_rgl> df(natom) -1.06539 2.85446 -0.80913
|
|
6755.0000 -118.30096 -112.61270 5.68826 2.53651 -113.07429 912.06754
|
|
6760.0000 -119.13543 -112.20974 6.92569 2.55256 -112.85637 941.56177
|
|
6765.0000 -118.63230 -113.50912 5.12318 2.55711 -112.79466 892.29632
|
|
6770.0000 -118.64751 -111.04293 7.60458 2.59408 -112.29288 978.38451
|
|
6775.0000 -117.08894 -110.72820 6.36075 2.64193 -111.64354 1013.57087
|
|
6780.0000 -118.77121 -111.72506 7.04615 2.63884 -111.68546 1000.59951
|
|
6785.0000 -118.04870 -111.34290 6.70580 2.66907 -111.27514 1048.60985
|
|
6790.0000 -116.60060 -110.43830 6.16230 2.70174 -110.83181 1016.68869
|
|
6795.0000 -119.18296 -111.31942 7.86355 2.75625 -110.09188 1067.36448
|
|
6800.0000 -118.00573 -111.56267 6.44305 2.67217 -111.23312 1028.64521
|
|
6805.0000 -118.21520 -111.29936 6.91585 2.64379 -111.61821 1004.63435
|
|
6810.0000 -116.67493 -110.13261 6.54232 2.71326 -110.67543 1002.28440
|
|
6815.0000 -116.19623 -110.25469 5.94154 2.71976 -110.58714 1002.05746
|
|
6820.0000 -117.99131 -111.27705 6.71426 2.66203 -111.37073 974.66666
|
|
6825.0000 -118.12527 -111.21522 6.91005 2.72021 -110.58107 1052.45596
|
|
6830.0000 -116.65566 -109.61375 7.04191 2.72641 -110.49686 1060.36036
|
|
6835.0000 -118.24905 -111.53068 6.71837 2.73553 -110.37319 1087.85193
|
|
6840.0000 -118.41058 -111.63550 6.77507 2.65018 -111.53159 1008.77994
|
|
6845.0000 -117.46200 -111.95654 5.50546 2.63670 -111.71453 976.01904
|
|
6850.0000 -117.13086 -111.50206 5.62879 2.58497 -112.41651 957.71865
|
|
6855.0000 -116.55351 -110.48656 6.06695 2.66323 -111.35436 999.51134
|
|
6860.0000 -117.48588 -111.08869 6.39719 2.74530 -110.24057 1078.34180
|
|
6865.0000 -118.66206 -111.58050 7.08156 2.65570 -111.45666 999.47443
|
|
6870.0000 -116.62885 -110.01071 6.61814 2.67642 -111.17542 1000.91104
|
|
6875.0000 -116.46523 -109.89185 6.57338 2.75233 -110.14516 961.12549
|
|
6880.0000 -117.44604 -108.55797 8.88807 2.84794 -108.84757 1170.94972
|
|
6885.0000 -116.76208 -109.16823 7.59386 2.80266 -109.46199 1132.98250
|
|
6890.0000 -116.24288 -109.57811 6.66477 2.77017 -109.90297 1013.97520
|
|
6895.0000 -117.18054 -109.99738 7.18316 2.75538 -110.10379 1106.84020
|
|
6900.0000 -116.47024 -110.06646 6.40378 2.78219 -109.73981 1093.18756
|
|
6905.0000 -118.63091 -112.13591 6.49501 2.66118 -111.38224 1022.48584
|
|
6910.0000 -117.50066 -110.68991 6.81075 2.67921 -111.13753 1047.00112
|
|
6915.0000 -118.27147 -112.81561 5.45585 2.65777 -111.42845 996.13556
|
|
6920.0000 -116.88350 -109.91050 6.97301 2.64862 -111.55272 971.31180
|
|
6925.0000 -116.23449 -109.95047 6.28402 2.82161 -109.20488 1115.59858
|
|
6930.0000 -117.41931 -110.82986 6.58945 2.74880 -110.19304 1076.53636
|
|
6935.0000 -117.85050 -111.58997 6.26052 2.64013 -111.66792 978.35857
|
|
6940.0000 -116.80641 -110.40228 6.40413 2.76877 -109.92199 1113.10635
|
|
6945.0000 -116.17513 -108.99604 7.17909 2.80832 -109.38525 1086.44677
|
|
6950.0000 -118.72593 -110.51622 8.20970 2.82584 -109.14749 1107.31911
|
|
6955.0000 -117.08520 -109.45633 7.62887 2.78664 -109.67943 1163.31643
|
|
6960.0000 -116.89078 -109.91562 6.97516 2.76116 -110.02532 1069.27398
|
|
6965.0000 -116.70779 -108.96580 7.74199 2.79823 -109.52224 1080.82779
|
|
6970.0000 -118.25230 -110.14018 8.11212 2.82239 -109.19430 1121.98028
|
|
6975.0000 -119.69630 -112.38919 7.30711 2.68539 -111.05363 1009.57579
|
|
6980.0000 -117.66445 -110.22859 7.43587 2.71045 -110.71353 1036.42704
|
|
6985.0000 -117.64828 -108.99082 8.65746 2.82489 -109.16033 1142.57869
|
|
6990.0000 -116.11926 -109.69877 6.42049 2.73323 -110.40438 1071.74979
|
|
6995.0000 -116.47009 -109.70318 6.76691 2.77761 -109.80206 1091.18291
|
|
7000.0000 -116.85338 -111.34622 5.50716 2.74035 -110.30771 1059.06733
|
|
MELTING PROCESS: loop number 29 T-loop= 1049.0000000000000
|
|
main_MD> interactions number 29 at Temperature= 1049.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.77509 -1.19436 3.62587
|
|
force_rgl> df(natom) -0.56190 -1.68108 1.34337
|
|
7005.0000 -117.21013 -110.60408 6.60605 2.67700 -111.16752 1052.35105
|
|
7010.0000 -116.90969 -109.58294 7.32676 2.71189 -110.69403 1054.06634
|
|
7015.0000 -117.21699 -110.67030 6.54669 2.74314 -110.26981 1087.79308
|
|
7020.0000 -117.53627 -111.11347 6.42280 2.67705 -111.16679 1022.61657
|
|
7025.0000 -117.67284 -110.92551 6.74733 2.72306 -110.54239 1060.62542
|
|
7030.0000 -116.76673 -109.11123 7.65550 2.77202 -109.87796 1123.85781
|
|
7035.0000 -115.83212 -109.84880 5.98332 2.81242 -109.32955 1109.60848
|
|
7040.0000 -117.28560 -109.99662 7.28898 2.73366 -110.39859 1003.96525
|
|
7045.0000 -117.84933 -110.62458 7.22475 2.77425 -109.84763 1047.72205
|
|
7050.0000 -116.61883 -108.50093 8.11790 2.77219 -109.87562 1075.68898
|
|
7055.0000 -114.10594 -107.76045 6.34548 2.87147 -108.52820 1180.84703
|
|
7060.0000 -117.51664 -109.16259 8.35406 2.92038 -107.86433 1217.42217
|
|
7065.0000 -117.23329 -110.52211 6.71119 2.74558 -110.23673 1115.30865
|
|
7070.0000 -114.70223 -108.34249 6.35974 2.84275 -108.91797 1159.03229
|
|
7075.0000 -116.06872 -109.00456 7.06417 2.87256 -108.51332 1127.94641
|
|
7080.0000 -117.95476 -110.84486 7.10990 2.74323 -110.26859 1026.79142
|
|
7085.0000 -117.33873 -111.35504 5.98368 2.65373 -111.48333 973.05862
|
|
7090.0000 -116.54772 -109.89308 6.65464 2.70439 -110.79580 1014.55521
|
|
7095.0000 -115.36285 -108.77596 6.58689 2.80024 -109.49486 1107.73202
|
|
7100.0000 -117.51974 -111.85709 5.66265 2.69532 -110.91892 1020.65209
|
|
7105.0000 -116.64982 -110.42624 6.22358 2.69049 -110.98441 1014.07628
|
|
7110.0000 -115.12725 -108.36580 6.76145 2.66781 -111.29221 1004.70715
|
|
7115.0000 -117.58324 -110.05978 7.52346 2.87049 -108.54144 1159.59459
|
|
7120.0000 -118.04341 -111.53412 6.50929 2.69401 -110.93663 1032.85133
|
|
7125.0000 -117.73149 -111.84161 5.88987 2.65067 -111.52492 969.17081
|
|
7130.0000 -117.60572 -110.93916 6.66656 2.62206 -111.91316 971.09062
|
|
7135.0000 -116.39521 -109.15802 7.23719 2.72478 -110.51908 1040.45503
|
|
7140.0000 -115.39109 -107.72773 7.66336 2.86141 -108.66466 1173.03240
|
|
7145.0000 -115.18197 -108.11112 7.07085 2.87817 -108.43727 1139.59855
|
|
7150.0000 -115.97135 -108.92233 7.04902 2.86745 -108.58266 1175.82300
|
|
7155.0000 -116.72673 -109.91167 6.81506 2.78036 -109.76471 1108.23857
|
|
7160.0000 -117.92111 -111.23075 6.69036 2.72351 -110.53633 1064.76056
|
|
7165.0000 -116.70270 -107.92600 8.77670 2.81459 -109.30016 1142.26372
|
|
7170.0000 -116.66632 -111.71242 4.95391 2.74132 -110.29450 1054.43947
|
|
7175.0000 -117.79913 -110.42002 7.37911 2.67869 -111.14452 974.94424
|
|
7180.0000 -115.70202 -109.19571 6.50631 2.74752 -110.21043 1075.09767
|
|
7185.0000 -117.36789 -110.14361 7.22428 2.77997 -109.76997 1098.88883
|
|
7190.0000 -116.95523 -110.13018 6.82505 2.69203 -110.96347 1038.12717
|
|
7195.0000 -118.07676 -111.83870 6.23806 2.68860 -111.01015 1041.00426
|
|
7200.0000 -117.81976 -111.22988 6.58989 2.62280 -111.90315 963.30399
|
|
7205.0000 -117.51542 -111.71603 5.79938 2.68122 -111.11030 1035.70328
|
|
7210.0000 -115.97472 -109.87216 6.10256 2.72316 -110.54103 1096.08015
|
|
7215.0000 -118.40441 -111.37598 7.02843 2.66099 -111.38486 996.98314
|
|
7220.0000 -118.09774 -111.78285 6.31489 2.64415 -111.61331 995.90781
|
|
7225.0000 -118.70067 -111.84603 6.85464 2.64291 -111.63015 1011.08382
|
|
7230.0000 -117.07233 -110.97348 6.09885 2.63678 -111.71342 1008.10382
|
|
7235.0000 -115.62244 -108.27923 7.34321 2.84988 -108.82121 1109.43301
|
|
7240.0000 -115.58612 -110.37784 5.20828 2.83558 -109.01529 1105.14073
|
|
7245.0000 -118.55943 -111.56038 6.99905 2.67143 -111.24306 991.81968
|
|
7250.0000 -115.59596 -107.32364 8.27232 2.79233 -109.60220 1113.53810
|
|
MELTING PROCESS: loop number 30 T-loop= 1074.0000000000000
|
|
main_MD> interactions number 30 at Temperature= 1074.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.15732 1.70566 -0.07657
|
|
force_rgl> df(natom) -1.34624 -0.28172 1.36640
|
|
7255.0000 -117.38631 -107.40132 9.98499 2.96789 -107.21955 1212.72954
|
|
7260.0000 -116.25511 -108.66620 7.58891 2.91107 -107.99070 1242.62827
|
|
7265.0000 -116.89590 -110.65845 6.23745 2.79030 -109.62978 1085.84272
|
|
7270.0000 -117.54552 -110.94573 6.59979 2.67529 -111.19077 1016.20746
|
|
7275.0000 -119.07071 -110.90353 8.16718 2.69804 -110.88197 1032.82341
|
|
7280.0000 -117.97573 -112.32573 5.65000 2.60974 -112.08039 986.33848
|
|
7285.0000 -118.29058 -111.94355 6.34703 2.60120 -112.19630 933.36809
|
|
7290.0000 -117.54895 -110.82625 6.72270 2.71066 -110.71062 1084.10059
|
|
7295.0000 -115.83627 -107.41999 8.41629 2.84099 -108.94183 1158.91242
|
|
7300.0000 -117.06010 -109.99929 7.06082 2.89521 -108.20592 1215.68371
|
|
7305.0000 -118.17069 -112.39339 5.77730 2.69602 -110.90934 999.89804
|
|
7310.0000 -117.12567 -109.51895 7.60672 2.72265 -110.54798 1052.72317
|
|
7315.0000 -118.60327 -110.01791 8.58536 2.82316 -109.18385 1126.26963
|
|
7320.0000 -113.39270 -106.88117 6.51153 2.90741 -108.04038 1219.22710
|
|
7325.0000 -116.95632 -111.04523 5.91109 2.85100 -108.80596 1132.28742
|
|
7330.0000 -117.42143 -110.60464 6.81679 2.71309 -110.67774 1025.60962
|
|
7335.0000 -117.43612 -110.03647 7.39965 2.72281 -110.54582 1047.15152
|
|
7340.0000 -118.64755 -111.81408 6.83347 2.74592 -110.23217 1042.16333
|
|
7345.0000 -118.57018 -112.87889 5.69129 2.61265 -112.04095 1002.05785
|
|
7350.0000 -118.13180 -110.47398 7.65782 2.65710 -111.43762 1024.37672
|
|
7355.0000 -118.37689 -112.13967 6.23722 2.74280 -110.27452 1046.04146
|
|
7360.0000 -117.12547 -110.81867 6.30680 2.64543 -111.59592 982.75821
|
|
7365.0000 -115.90180 -108.49513 7.40667 2.82529 -109.15486 1087.78605
|
|
7370.0000 -117.66857 -110.05937 7.60920 2.79719 -109.53625 1095.85762
|
|
7375.0000 -118.88999 -111.97570 6.91429 2.63836 -111.69198 970.88093
|
|
7380.0000 -118.31341 -111.83640 6.47702 2.63415 -111.74912 1023.04546
|
|
7385.0000 -117.28816 -110.99111 6.29705 2.69804 -110.88190 1037.33017
|
|
7390.0000 -118.16959 -111.80965 6.35994 2.71627 -110.63453 1021.70868
|
|
7395.0000 -116.88314 -111.27076 5.61238 2.70198 -110.82854 1053.76364
|
|
7400.0000 -116.80752 -109.58010 7.22742 2.77986 -109.77155 1087.05957
|
|
7405.0000 -115.53253 -109.28464 6.24789 2.80210 -109.46968 1108.17182
|
|
7410.0000 -117.02570 -110.40743 6.61827 2.80064 -109.48952 1114.84555
|
|
7415.0000 -117.86396 -111.23580 6.62815 2.73520 -110.37759 1043.59294
|
|
7420.0000 -117.92077 -111.29676 6.62402 2.67994 -111.12766 1016.52346
|
|
7425.0000 -116.86740 -108.54623 8.32117 2.75940 -110.04916 1074.36590
|
|
7430.0000 -115.92162 -108.78785 7.13377 2.86041 -108.67830 1149.82703
|
|
7435.0000 -117.15342 -110.25799 6.89543 2.79405 -109.57889 1105.80030
|
|
7440.0000 -115.89932 -109.81138 6.08794 2.75531 -110.10473 1072.81511
|
|
7445.0000 -116.80846 -109.62534 7.18312 2.74144 -110.29290 1073.59991
|
|
7450.0000 -118.56447 -112.61469 5.94978 2.66541 -111.32482 1017.16890
|
|
7455.0000 -118.39552 -111.79414 6.60137 2.60020 -112.20987 963.36932
|
|
7460.0000 -117.47323 -111.15954 6.31370 2.67905 -111.13967 1029.13772
|
|
7465.0000 -118.34802 -111.49323 6.85479 2.73505 -110.37970 1078.09405
|
|
7470.0000 -116.24729 -108.82413 7.42316 2.77825 -109.79337 1092.61165
|
|
7475.0000 -116.34617 -108.93543 7.41073 2.88854 -108.29648 1174.54406
|
|
7480.0000 -117.32881 -108.49556 8.83326 2.87742 -108.44739 1123.58947
|
|
7485.0000 -118.05800 -110.48253 7.57547 2.84258 -108.92026 1178.04934
|
|
7490.0000 -115.77025 -109.41355 6.35670 2.80848 -109.38302 1099.55409
|
|
7495.0000 -118.62178 -112.10131 6.52047 2.76427 -109.98306 1101.60906
|
|
7500.0000 -118.32250 -112.02635 6.29615 2.60117 -112.19673 963.84296
|
|
MELTING PROCESS: loop number 31 T-loop= 1099.0000000000000
|
|
main_MD> interactions number 31 at Temperature= 1099.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.04809 1.03962 2.03428
|
|
force_rgl> df(natom) -1.88071 -0.58080 0.04226
|
|
7505.0000 -116.47728 -108.64830 7.82898 2.81908 -109.23923 1126.04585
|
|
7510.0000 -116.94301 -108.67701 8.26599 2.80131 -109.48040 1113.07804
|
|
7515.0000 -116.41617 -108.52686 7.88930 2.83681 -108.99852 1191.58847
|
|
7520.0000 -115.85305 -107.39167 8.46138 2.92515 -107.79964 1257.25984
|
|
7525.0000 -116.58667 -109.16724 7.41943 2.86248 -108.65017 1200.43223
|
|
7530.0000 -117.17436 -110.78072 6.39365 2.72344 -110.53728 1085.76107
|
|
7535.0000 -117.90524 -109.38250 8.52274 2.76611 -109.95816 1085.99495
|
|
7540.0000 -115.93414 -107.98659 7.94755 2.86399 -108.62964 1162.37673
|
|
7545.0000 -116.62168 -107.32412 9.29756 3.00783 -106.67749 1238.99556
|
|
7550.0000 -116.52328 -108.51525 8.00802 2.92981 -107.73640 1214.78200
|
|
7555.0000 -116.89367 -111.30197 5.59171 2.67497 -111.19505 1005.58145
|
|
7560.0000 -116.80343 -110.13479 6.66864 2.75733 -110.07729 1076.62182
|
|
7565.0000 -116.17134 -108.68032 7.49102 2.81119 -109.34632 1139.87645
|
|
7570.0000 -116.52498 -109.54197 6.98301 2.85201 -108.79220 1150.04990
|
|
7575.0000 -116.66701 -110.41403 6.25298 2.75185 -110.15167 1036.16020
|
|
7580.0000 -115.99277 -108.34102 7.65175 2.75212 -110.14802 1114.37049
|
|
7585.0000 -118.21746 -110.74736 7.47010 2.81074 -109.35235 1141.88730
|
|
7590.0000 -114.21135 -106.49066 7.72070 2.83918 -108.96641 1157.62986
|
|
7595.0000 -116.35395 -109.30659 7.04736 2.96409 -107.27113 1243.99461
|
|
7600.0000 -116.24172 -109.41566 6.82606 2.75428 -110.11867 1063.19070
|
|
7605.0000 -118.05872 -109.91306 8.14567 2.77790 -109.79805 1088.97754
|
|
7610.0000 -115.52754 -107.96008 7.56746 2.86041 -108.67827 1155.35012
|
|
7615.0000 -115.58432 -108.64129 6.94303 2.86710 -108.58748 1144.02883
|
|
7620.0000 -114.33119 -106.88838 7.44281 2.94690 -107.50441 1198.30519
|
|
7625.0000 -114.82033 -107.46057 7.35976 2.89886 -108.15641 1212.09247
|
|
7630.0000 -115.47143 -107.40357 8.06787 2.94931 -107.47173 1194.69025
|
|
7635.0000 -116.75765 -109.13915 7.61850 2.93579 -107.65517 1219.72619
|
|
7640.0000 -116.66363 -110.53817 6.12546 2.76147 -110.02103 1061.66831
|
|
7645.0000 -117.31041 -110.61065 6.69976 2.72456 -110.52202 1055.06112
|
|
7650.0000 -117.36712 -110.82567 6.54145 2.69784 -110.88472 1077.25219
|
|
7655.0000 -115.55727 -108.92718 6.63009 2.80561 -109.42202 1099.18871
|
|
7660.0000 -118.96764 -111.92968 7.03796 2.69605 -110.90899 1048.25819
|
|
7665.0000 -117.63538 -110.45812 7.17726 2.73241 -110.41546 1044.80361
|
|
7670.0000 -116.68974 -110.42456 6.26518 2.78811 -109.65950 1095.81496
|
|
7675.0000 -117.71717 -109.66411 8.05306 2.72511 -110.51459 1071.07150
|
|
7680.0000 -116.83901 -111.08704 5.75198 2.71034 -110.71507 1053.74049
|
|
7685.0000 -117.16308 -111.59592 5.56716 2.65171 -111.51075 984.84013
|
|
7690.0000 -117.20011 -109.79096 7.40915 2.72261 -110.54845 1047.51490
|
|
7695.0000 -116.56486 -110.26462 6.30024 2.74737 -110.21248 1036.84530
|
|
7700.0000 -116.32825 -109.97517 6.35308 2.79614 -109.55057 1107.73169
|
|
7705.0000 -117.29900 -111.21350 6.08550 2.70903 -110.73281 1008.54426
|
|
7710.0000 -115.67233 -108.84913 6.82321 2.85393 -108.76615 1153.32567
|
|
7715.0000 -118.40034 -111.06234 7.33800 2.78379 -109.71813 1120.47186
|
|
7720.0000 -118.58936 -110.87986 7.70950 2.71924 -110.59424 1052.37378
|
|
7725.0000 -118.58045 -110.29675 8.28370 2.66338 -111.35239 1050.42359
|
|
7730.0000 -117.39514 -109.79311 7.60202 2.71967 -110.58841 1024.83839
|
|
7735.0000 -116.96937 -110.81345 6.15592 2.70198 -110.82847 1061.17984
|
|
7740.0000 -117.42379 -110.30542 7.11837 2.75554 -110.10160 1095.85928
|
|
7745.0000 -116.05377 -108.68740 7.36637 2.75280 -110.13872 1063.14675
|
|
7750.0000 -117.33522 -110.51757 6.81765 2.73921 -110.32326 1090.39149
|
|
MELTING PROCESS: loop number 32 T-loop= 1124.0000000000000
|
|
main_MD> interactions number 32 at Temperature= 1124.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.22847 -2.27440 2.40428
|
|
force_rgl> df(natom) -0.70311 2.73250 0.41932
|
|
7755.0000 -118.06668 -110.16045 7.90623 2.72512 -110.51446 1066.91607
|
|
7760.0000 -117.42295 -110.55860 6.86435 2.72088 -110.57200 1032.75900
|
|
7765.0000 -116.99889 -110.23737 6.76153 2.74092 -110.29999 1093.67451
|
|
7770.0000 -116.76221 -109.25201 7.51021 2.81338 -109.31649 1152.70764
|
|
7775.0000 -116.60762 -109.29874 7.30888 2.73017 -110.44587 1085.98937
|
|
7780.0000 -116.79014 -108.93357 7.85658 2.85973 -108.68744 1153.80173
|
|
7785.0000 -115.77137 -108.36179 7.40957 2.87046 -108.54184 1147.88012
|
|
7790.0000 -115.28499 -108.38337 6.90162 2.94282 -107.55974 1190.20837
|
|
7795.0000 -116.47817 -108.39461 8.08356 2.82664 -109.13664 1069.42432
|
|
7800.0000 -115.69835 -108.27653 7.42182 2.81979 -109.22957 1102.41787
|
|
7805.0000 -116.68927 -108.40337 8.28590 2.87160 -108.52633 1193.16299
|
|
7810.0000 -114.65250 -106.92353 7.72897 2.85210 -108.79098 1148.65413
|
|
7815.0000 -115.05192 -108.34760 6.70433 2.93544 -107.66001 1196.20482
|
|
7820.0000 -116.78232 -109.80695 6.97536 2.88715 -108.31541 1153.59225
|
|
7825.0000 -117.11855 -110.27969 6.83885 2.78607 -109.68716 1103.38350
|
|
7830.0000 -116.73725 -110.39247 6.34478 2.77731 -109.80616 1089.60767
|
|
7835.0000 -117.00260 -110.27313 6.72946 2.78832 -109.65661 1119.98797
|
|
7840.0000 -119.84404 -112.72769 7.11635 2.59326 -112.30411 942.84977
|
|
7845.0000 -118.55697 -111.27832 7.27864 2.54736 -112.92696 923.00356
|
|
7850.0000 -115.12707 -108.09157 7.03550 2.66432 -111.33956 1044.42538
|
|
7855.0000 -116.39909 -108.84562 7.55347 2.81340 -109.31627 1117.67398
|
|
7860.0000 -116.61494 -109.51329 7.10165 2.75694 -110.08262 1080.15725
|
|
7865.0000 -117.88564 -110.27948 7.60615 2.78629 -109.68422 1111.84304
|
|
7870.0000 -118.11316 -111.84120 6.27196 2.68069 -111.11744 1021.09553
|
|
7875.0000 -117.08861 -110.36564 6.72297 2.65794 -111.42623 984.08656
|
|
7880.0000 -117.89694 -109.73315 8.16379 2.77886 -109.78510 1088.81696
|
|
7885.0000 -117.01776 -109.31085 7.70691 2.78944 -109.64144 1085.24970
|
|
7890.0000 -114.09020 -107.76595 6.32424 2.86647 -108.59604 1144.58080
|
|
7895.0000 -114.72919 -107.03791 7.69128 2.91611 -107.92224 1225.34325
|
|
7900.0000 -115.24767 -108.34808 6.89958 2.94880 -107.47863 1249.42840
|
|
7905.0000 -115.56571 -108.37920 7.18651 2.83814 -108.98045 1120.46431
|
|
7910.0000 -114.78242 -106.81692 7.96551 2.95910 -107.33878 1215.80881
|
|
7915.0000 -113.13979 -104.66146 8.47833 3.02264 -106.47640 1247.61626
|
|
7920.0000 -116.01535 -107.88128 8.13407 3.03277 -106.33891 1266.61637
|
|
7925.0000 -115.27475 -107.18672 8.08803 2.92254 -107.83506 1190.54139
|
|
7930.0000 -116.07750 -108.63200 7.44551 2.92490 -107.80303 1192.79716
|
|
7935.0000 -117.16578 -109.46758 7.69819 2.84033 -108.95086 1123.04358
|
|
7940.0000 -115.73967 -108.87462 6.86504 2.78158 -109.74813 1100.74791
|
|
7945.0000 -118.26553 -110.90683 7.35871 2.78307 -109.72789 1127.00223
|
|
7950.0000 -116.61598 -109.69621 6.91978 2.75417 -110.12022 1048.93604
|
|
7955.0000 -116.40969 -109.46411 6.94558 2.75235 -110.14485 1057.87673
|
|
7960.0000 -116.34974 -109.11518 7.23456 2.75338 -110.13087 1064.08183
|
|
7965.0000 -115.09828 -108.21562 6.88266 2.88039 -108.40716 1160.87067
|
|
7970.0000 -116.15885 -108.47755 7.68130 2.85358 -108.77092 1170.64613
|
|
7975.0000 -116.60977 -110.19255 6.41722 2.87128 -108.53069 1150.02424
|
|
7980.0000 -116.99956 -110.06746 6.93210 2.76031 -110.03683 1085.42755
|
|
7985.0000 -116.89789 -110.75922 6.13868 2.73217 -110.41873 1052.91363
|
|
7990.0000 -117.46988 -110.31017 7.15971 2.70434 -110.79642 1019.02374
|
|
7995.0000 -117.24740 -109.52057 7.72684 2.83857 -108.97470 1152.79773
|
|
8000.0000 -116.04243 -109.01368 7.02876 2.80057 -109.49048 1107.86863
|
|
MELTING PROCESS: loop number 33 T-loop= 1149.0000000000000
|
|
main_MD> interactions number 33 at Temperature= 1149.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.42121 -0.40034 -0.57018
|
|
force_rgl> df(natom) 2.66055 -0.60073 -1.68078
|
|
8005.0000 -116.30655 -109.18893 7.11762 2.84920 -108.83039 1162.85219
|
|
8010.0000 -115.82870 -108.04961 7.77909 2.85650 -108.73133 1138.43431
|
|
8015.0000 -117.50326 -110.06852 7.43474 2.75040 -110.17134 1079.23585
|
|
8020.0000 -116.38348 -109.39595 6.98753 2.76987 -109.90707 1072.80608
|
|
8025.0000 -117.09310 -109.36244 7.73066 2.82778 -109.12109 1152.34406
|
|
8030.0000 -116.34034 -109.76759 6.57275 2.84941 -108.82756 1148.04100
|
|
8035.0000 -118.72043 -111.56878 7.15164 2.74911 -110.18885 1103.31761
|
|
8040.0000 -116.20082 -109.71325 6.48757 2.69780 -110.88521 1037.25145
|
|
8045.0000 -116.70885 -109.30891 7.39995 2.77498 -109.83769 1088.49544
|
|
8050.0000 -118.41153 -110.67545 7.73607 2.80206 -109.47025 1130.84566
|
|
8055.0000 -118.23946 -110.50269 7.73677 2.66589 -111.31824 1009.22923
|
|
8060.0000 -116.85293 -108.46288 8.39006 2.80365 -109.44868 1130.38888
|
|
8065.0000 -115.55593 -108.77647 6.77946 2.88253 -108.37799 1200.05795
|
|
8070.0000 -116.75217 -109.00426 7.74791 2.90278 -108.10316 1199.58596
|
|
8075.0000 -114.12352 -106.03961 8.08391 2.88690 -108.31875 1203.07124
|
|
8080.0000 -116.83038 -109.12511 7.70527 2.90430 -108.08257 1203.18957
|
|
8085.0000 -115.25015 -108.94554 6.30461 2.80595 -109.41746 1122.04981
|
|
8090.0000 -116.32481 -109.68264 6.64217 2.85569 -108.74232 1120.37740
|
|
8095.0000 -116.41230 -108.62266 7.78963 2.76736 -109.94111 1073.36968
|
|
8100.0000 -116.35469 -109.59982 6.75487 2.76975 -109.90872 1085.51485
|
|
8105.0000 -115.67368 -110.45587 5.21781 2.76568 -109.96393 1071.00433
|
|
8110.0000 -117.11063 -109.69807 7.41256 2.82183 -109.20190 1124.14017
|
|
8115.0000 -117.03581 -110.83886 6.19694 2.72913 -110.46003 1037.47952
|
|
8120.0000 -117.36795 -110.70487 6.66308 2.70074 -110.84535 1017.89935
|
|
8125.0000 -114.06560 -107.71079 6.35481 2.89416 -108.22023 1152.57713
|
|
8130.0000 -114.77954 -106.43949 8.34005 2.98628 -106.96991 1258.35028
|
|
8135.0000 -115.56802 -108.25215 7.31588 2.95729 -107.36345 1241.90747
|
|
8140.0000 -114.23291 -105.25445 8.97846 3.02581 -106.43342 1324.63218
|
|
8145.0000 -115.38849 -109.62844 5.76005 2.92103 -107.85548 1191.06629
|
|
8150.0000 -119.70323 -113.08301 6.62022 2.68230 -111.09553 1063.70672
|
|
8155.0000 -117.07605 -109.31735 7.75870 2.70116 -110.83957 1040.07294
|
|
8160.0000 -116.51848 -109.44044 7.07804 2.81689 -109.26889 1111.70093
|
|
8165.0000 -116.41867 -109.06525 7.35342 2.76406 -109.98589 1081.00357
|
|
8170.0000 -116.85384 -109.66355 7.19029 2.72256 -110.54916 1032.89571
|
|
8175.0000 -115.47725 -107.07867 8.39858 2.88512 -108.34292 1215.54830
|
|
8180.0000 -114.24549 -106.12022 8.12527 2.98918 -106.93063 1313.11782
|
|
8185.0000 -115.42696 -108.02364 7.40332 2.93363 -107.68445 1206.85919
|
|
8190.0000 -113.67805 -105.55340 8.12464 2.98655 -106.96623 1227.12626
|
|
8195.0000 -117.98784 -110.68398 7.30386 2.92128 -107.85213 1242.88553
|
|
8200.0000 -118.34506 -111.81069 6.53437 2.66827 -111.28606 987.92656
|
|
8205.0000 -115.98354 -108.03301 7.95052 2.75260 -110.14153 1088.12180
|
|
8210.0000 -117.07468 -108.49134 8.58334 2.89358 -108.22811 1204.27532
|
|
8215.0000 -114.66668 -106.23538 8.43131 2.91185 -107.98012 1200.05455
|
|
8220.0000 -115.53277 -107.28190 8.25087 3.08640 -105.61109 1359.28309
|
|
8225.0000 -115.63290 -108.00588 7.62702 2.96835 -107.21329 1211.60959
|
|
8230.0000 -116.13762 -108.40227 7.73535 2.97509 -107.12180 1283.31311
|
|
8235.0000 -116.78824 -107.97600 8.81224 2.91656 -107.91624 1171.34400
|
|
8240.0000 -116.53060 -110.04780 6.48279 2.81158 -109.34094 1164.13855
|
|
8245.0000 -117.16033 -109.92409 7.23624 2.84733 -108.85578 1129.55633
|
|
8250.0000 -117.06510 -110.46554 6.59956 2.78986 -109.63572 1140.96179
|
|
MELTING PROCESS: loop number 34 T-loop= 1174.0000000000000
|
|
main_MD> interactions number 34 at Temperature= 1174.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.38511 0.85648 -1.86525
|
|
force_rgl> df(natom) 3.33991 -1.79663 3.00996
|
|
8255.0000 -117.37183 -110.95679 6.41504 2.68117 -111.11096 1039.71717
|
|
8260.0000 -117.51611 -110.63806 6.87805 2.73559 -110.37233 1085.31577
|
|
8265.0000 -116.35553 -108.84795 7.50758 2.75373 -110.12613 1107.79311
|
|
8270.0000 -116.71123 -108.79658 7.91465 2.88544 -108.33856 1178.39757
|
|
8275.0000 -115.17291 -107.71354 7.45937 2.94868 -107.48021 1192.92163
|
|
8280.0000 -113.83876 -104.93025 8.90851 3.06130 -105.95180 1309.04422
|
|
8285.0000 -115.76945 -107.36978 8.39967 2.99643 -106.83216 1298.83568
|
|
8290.0000 -115.88275 -109.90145 5.98129 2.86032 -108.67947 1162.69778
|
|
8295.0000 -115.92592 -108.77187 7.15405 2.85384 -108.76750 1181.42028
|
|
8300.0000 -116.03853 -108.91933 7.11920 2.91972 -107.87325 1167.59981
|
|
8305.0000 -117.57659 -109.87491 7.70168 2.89013 -108.27495 1166.66025
|
|
8310.0000 -115.18156 -108.03678 7.14478 2.81946 -109.23410 1131.28121
|
|
8315.0000 -115.04742 -106.71621 8.33121 2.90670 -108.05003 1185.84285
|
|
8320.0000 -115.28657 -107.04362 8.24295 3.00980 -106.65072 1252.21729
|
|
8325.0000 -116.06318 -107.95890 8.10428 3.01360 -106.59914 1270.19482
|
|
8330.0000 -117.10815 -109.56550 7.54265 2.82708 -109.13068 1124.07928
|
|
8335.0000 -115.18216 -108.66953 6.51263 2.79869 -109.51597 1129.78205
|
|
8340.0000 -115.49932 -107.99169 7.50763 2.93355 -107.68566 1183.14018
|
|
8345.0000 -115.68138 -109.40750 6.27388 2.87535 -108.47555 1150.73169
|
|
8350.0000 -114.18570 -106.61279 7.57291 2.83026 -109.08740 1137.85127
|
|
8355.0000 -114.28441 -106.40446 7.87995 2.96028 -107.32277 1221.16714
|
|
8360.0000 -115.72031 -106.52354 9.19678 3.03068 -106.36729 1269.05917
|
|
8365.0000 -115.68343 -107.89303 7.79040 2.94988 -107.46393 1206.28766
|
|
8370.0000 -115.79900 -108.25598 7.54301 2.91053 -107.99803 1196.44001
|
|
8375.0000 -116.49209 -110.70450 5.78758 2.79966 -109.50271 1154.58676
|
|
8380.0000 -116.25109 -110.07718 6.17391 2.82086 -109.21499 1076.01075
|
|
8385.0000 -117.90756 -109.32785 8.57971 2.88505 -108.34383 1196.01651
|
|
8390.0000 -116.74171 -108.26705 8.47466 2.84413 -108.89921 1134.04692
|
|
8395.0000 -115.48289 -107.52387 7.95901 2.95427 -107.40444 1246.08117
|
|
8400.0000 -116.89150 -106.54901 10.34249 3.00273 -106.74674 1261.64356
|
|
8405.0000 -113.26705 -106.33251 6.93454 3.00535 -106.71108 1232.17620
|
|
8410.0000 -114.95432 -106.83182 8.12250 2.94509 -107.52892 1171.92596
|
|
8415.0000 -115.45130 -107.06529 8.38601 2.97533 -107.11850 1186.87676
|
|
8420.0000 -116.57711 -107.96464 8.61247 2.94047 -107.59167 1218.97138
|
|
8425.0000 -114.55566 -108.16320 6.39247 2.84971 -108.82350 1175.83755
|
|
8430.0000 -116.09966 -108.38511 7.71454 2.97572 -107.11327 1287.55909
|
|
8435.0000 -115.17241 -107.07456 8.09785 2.96568 -107.24947 1274.80614
|
|
8440.0000 -116.28101 -108.96276 7.31825 2.91337 -107.95947 1163.90294
|
|
8445.0000 -116.98343 -108.89466 8.08878 2.88864 -108.29511 1187.79318
|
|
8450.0000 -115.75250 -109.51914 6.23336 2.85975 -108.68722 1191.06061
|
|
8455.0000 -117.20409 -109.76665 7.43744 2.73896 -110.32658 1059.61940
|
|
8460.0000 -116.44157 -108.88869 7.55288 2.78677 -109.67765 1113.43692
|
|
8465.0000 -115.52993 -109.20240 6.32753 2.84140 -108.93623 1146.93950
|
|
8470.0000 -117.14664 -110.79829 6.34836 2.78659 -109.68019 1094.75015
|
|
8475.0000 -117.61387 -110.90043 6.71344 2.75786 -110.07010 1057.04236
|
|
8480.0000 -115.30502 -108.02073 7.28430 2.81967 -109.23115 1114.56004
|
|
8485.0000 -116.13924 -109.18337 6.95588 2.88077 -108.40199 1150.77409
|
|
8490.0000 -116.69692 -110.54456 6.15236 2.79938 -109.50657 1101.12034
|
|
8495.0000 -117.92814 -110.84946 7.07868 2.66614 -111.31493 1021.28408
|
|
8500.0000 -118.30295 -111.63214 6.67081 2.71530 -110.64777 1030.03618
|
|
MELTING PROCESS: loop number 35 T-loop= 1199.0000000000000
|
|
main_MD> interactions number 35 at Temperature= 1199.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.71515 8.24823 2.33054
|
|
force_rgl> df(natom) 2.06523 1.86912 -0.42198
|
|
8505.0000 -117.12389 -108.61029 8.51360 2.70483 -110.78976 1048.39687
|
|
8510.0000 -116.00550 -109.11734 6.88816 2.81388 -109.30974 1164.39580
|
|
8515.0000 -116.22869 -108.59170 7.63699 2.83284 -109.05243 1096.36883
|
|
8520.0000 -116.64993 -108.01231 8.63761 2.83076 -109.08067 1149.13655
|
|
8525.0000 -116.77373 -108.38098 8.39275 2.91335 -107.95977 1216.66928
|
|
8530.0000 -116.47677 -109.42332 7.05344 2.83105 -109.07671 1128.66624
|
|
8535.0000 -115.94562 -108.06948 7.87614 2.90646 -108.05323 1206.89131
|
|
8540.0000 -117.28191 -109.17118 8.11074 2.88524 -108.34133 1165.10447
|
|
8545.0000 -114.48430 -107.67999 6.80430 2.81975 -109.23017 1130.64948
|
|
8550.0000 -115.25863 -106.50673 8.75189 2.96878 -107.20746 1239.56992
|
|
8555.0000 -115.85080 -109.04019 6.81061 2.97834 -107.07764 1247.03630
|
|
8560.0000 -114.70814 -106.88777 7.82038 2.93693 -107.63979 1208.17342
|
|
8565.0000 -116.06560 -108.16865 7.89695 2.92706 -107.77368 1188.95879
|
|
8570.0000 -117.21693 -109.17935 8.03759 2.94178 -107.57384 1204.62015
|
|
8575.0000 -117.49684 -111.12034 6.37649 2.75391 -110.12363 1087.75156
|
|
8580.0000 -116.46332 -109.54469 6.91863 2.80122 -109.48161 1112.93756
|
|
8585.0000 -118.42595 -108.71268 9.71327 2.85391 -108.76646 1196.93900
|
|
8590.0000 -116.80267 -109.81362 6.98904 2.80118 -109.48208 1096.80652
|
|
8595.0000 -115.91390 -107.22448 8.68942 2.91327 -107.96080 1152.72170
|
|
8600.0000 -115.10694 -105.43047 9.67647 2.99715 -106.82246 1267.21145
|
|
8605.0000 -116.56394 -108.54383 8.02011 3.06486 -105.90351 1343.59485
|
|
8610.0000 -117.19686 -109.73552 7.46134 2.84306 -108.91379 1106.57722
|
|
8615.0000 -115.39967 -107.83503 7.56463 2.85446 -108.75904 1140.57584
|
|
8620.0000 -114.82434 -106.37559 8.44875 2.98788 -106.94830 1258.50505
|
|
8625.0000 -116.63732 -108.06440 8.57292 2.98385 -107.00287 1226.26116
|
|
8630.0000 -115.14560 -107.53984 7.60576 2.98124 -107.03837 1269.50514
|
|
8635.0000 -116.19146 -107.70957 8.48189 2.94997 -107.46273 1217.16840
|
|
8640.0000 -116.43868 -109.02607 7.41261 2.93220 -107.70395 1216.55711
|
|
8645.0000 -115.41738 -107.87538 7.54201 2.91477 -107.94053 1225.54068
|
|
8650.0000 -114.46921 -108.05826 6.41095 2.94462 -107.53536 1168.62456
|
|
8655.0000 -116.84792 -109.46777 7.38015 2.83002 -109.09071 1140.29124
|
|
8660.0000 -117.29508 -109.30986 7.98522 2.79086 -109.62224 1119.84289
|
|
8665.0000 -116.11790 -108.47358 7.64432 2.84657 -108.86616 1136.96918
|
|
8670.0000 -117.12612 -110.27006 6.85606 2.72567 -110.50691 1041.59379
|
|
8675.0000 -115.35138 -107.35650 7.99488 2.76977 -109.90841 1100.34962
|
|
8680.0000 -115.81459 -106.99449 8.82010 2.96685 -107.23359 1230.12806
|
|
8685.0000 -114.48804 -107.31874 7.16931 3.01692 -106.55416 1235.68811
|
|
8690.0000 -115.25651 -107.79093 7.46559 2.92229 -107.83842 1166.24302
|
|
8695.0000 -115.37681 -108.28885 7.08796 2.90907 -108.01788 1195.32048
|
|
8700.0000 -115.89870 -107.94014 7.95856 2.87263 -108.51247 1163.04909
|
|
8705.0000 -116.85396 -107.98656 8.86740 2.96584 -107.24730 1260.70871
|
|
8710.0000 -116.19568 -108.02659 8.16909 2.89759 -108.17359 1184.33054
|
|
8715.0000 -115.32728 -108.17052 7.15675 2.94214 -107.56901 1191.13760
|
|
8720.0000 -114.73278 -106.99830 7.73449 2.91879 -107.88587 1155.67402
|
|
8725.0000 -114.03753 -107.01262 7.02491 2.92598 -107.78829 1185.02812
|
|
8730.0000 -114.88761 -107.53848 7.34913 2.92773 -107.76456 1193.47635
|
|
8735.0000 -114.24603 -105.38802 8.85801 3.02546 -106.43824 1309.20567
|
|
8740.0000 -114.65254 -107.75537 6.89717 3.06362 -105.92034 1339.51438
|
|
8745.0000 -114.02631 -106.56010 7.46622 2.91958 -107.87515 1217.04905
|
|
8750.0000 -116.05455 -107.88795 8.16660 2.98067 -107.04607 1256.06606
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 9 [min], 17.9566207 [s].
|
|
main_MD> Deallocating global variables
|