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_55.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 = 55 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: 55 5500
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main_MD> Size of nv and nvoiz: 55 5500
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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 = 55
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main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
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main_MD> collvar_wanted = F
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main_MD> INPUT AND POTENTIAL FILE READING IS DONE
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main_MD> THERMALIZATION IS STARTING
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init> 1.3214643174617244E-002 -3.6953410753737870E-002 -9.3692011970034625E-004 initial drift of cluster / NP1 for coalescence
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init> 0.29761677254658708 0.28863744001379871 0.30704932587591982 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.9085614812365279E-003
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preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
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preparo> END t=0 TIME STEP
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.25057 -0.47573 0.16686
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force_rgl> df(natom) -1.96515 -0.84199 -0.69046
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preparo> THERMALIZATION PROCESS AT 315.46141404409127
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -137.09805760920040 1.8603677102470484 -138.95842531944746 3.7389965954734634E-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= 341.00000000000000
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main_MD> interactions number 1 at Temperature= 341.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.02337 0.57308 1.15586
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force_rgl> df(natom) 1.12094 -0.27689 0.65754
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5.0000 -138.70143 -136.53504 2.16640 1.76678 -136.69805 320.46190
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10.0000 -138.83516 -136.38961 2.44555 1.78977 -136.36557 340.40893
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15.0000 -138.84866 -136.59494 2.25372 1.78602 -136.41981 340.50444
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20.0000 -139.25707 -136.64189 2.61518 1.76114 -136.77955 316.82782
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25.0000 -138.18785 -135.54679 2.64106 1.78724 -136.40213 342.65850
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30.0000 -138.27861 -135.49901 2.77961 1.84656 -135.54421 390.31874
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35.0000 -138.74916 -136.79198 1.95718 1.79263 -136.32419 349.38921
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40.0000 -139.21919 -137.18343 2.03576 1.74484 -137.01530 297.36964
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45.0000 -139.02974 -136.70011 2.32963 1.75730 -136.83515 308.76676
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50.0000 -139.14071 -136.43942 2.70129 1.76625 -136.70572 320.46559
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55.0000 -139.30123 -136.88006 2.42117 1.76443 -136.73209 312.18550
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60.0000 -138.37725 -135.72937 2.64788 1.77277 -136.61139 321.44623
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65.0000 -138.58820 -136.21002 2.37818 1.81693 -135.97277 367.00562
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70.0000 -138.45070 -135.92033 2.53037 1.80219 -136.18594 353.80832
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75.0000 -138.54907 -136.25968 2.28939 1.81760 -135.96302 363.88106
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80.0000 -138.20455 -136.19765 2.00689 1.79604 -136.27488 335.56731
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85.0000 -139.24819 -136.71065 2.53754 1.76959 -136.65739 309.92601
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90.0000 -138.47432 -135.98862 2.48570 1.79787 -136.24842 339.89091
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95.0000 -138.45718 -135.99769 2.45949 1.80293 -136.17519 345.74916
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100.0000 -138.91702 -136.35698 2.56003 1.81264 -136.03473 359.57432
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105.0000 -138.56359 -135.89277 2.67082 1.80958 -136.07903 353.80118
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110.0000 -138.87045 -136.08825 2.78220 1.80698 -136.11671 353.36459
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115.0000 -138.72730 -136.25484 2.47246 1.78743 -136.39936 333.93480
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120.0000 -138.57659 -136.09648 2.48011 1.81319 -136.02679 358.89746
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125.0000 -138.26223 -135.87948 2.38275 1.80882 -136.09004 354.09239
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130.0000 -138.95848 -136.28092 2.67756 1.77829 -136.53155 325.98231
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135.0000 -139.09774 -136.84698 2.25076 1.78724 -136.40212 334.64199
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140.0000 -138.70045 -136.32563 2.37482 1.75680 -136.84230 311.73244
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145.0000 -138.45589 -136.38676 2.06913 1.80424 -136.15622 348.24734
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150.0000 -139.55403 -137.19124 2.36279 1.75901 -136.81047 313.15053
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155.0000 -139.34485 -136.95118 2.39367 1.73659 -137.13462 302.01032
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160.0000 -139.03324 -136.75066 2.28258 1.75428 -136.87882 325.45813
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165.0000 -138.73492 -136.30019 2.43473 1.76111 -136.77999 331.58564
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170.0000 -139.13875 -136.73801 2.40074 1.76424 -136.73471 333.85103
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175.0000 -139.28686 -136.58978 2.69708 1.78049 -136.49969 349.12033
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180.0000 -138.94884 -136.75353 2.19531 1.76246 -136.76056 327.20585
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185.0000 -139.13395 -136.67963 2.45432 1.76938 -136.66040 335.24633
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190.0000 -138.99035 -136.47614 2.51421 1.76966 -136.65642 332.53590
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195.0000 -138.80759 -136.37474 2.43285 1.79177 -136.33660 360.65065
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200.0000 -138.87275 -136.29900 2.57375 1.79719 -136.25827 357.36484
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205.0000 -139.16480 -136.74238 2.42242 1.77171 -136.62680 336.45346
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210.0000 -139.23515 -136.58901 2.64614 1.77120 -136.63410 335.31534
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215.0000 -138.95801 -136.58740 2.37061 1.77229 -136.61832 334.36666
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220.0000 -138.74957 -136.42638 2.32319 1.77051 -136.64407 343.84440
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225.0000 -139.61275 -137.21760 2.39515 1.76301 -136.75252 333.60449
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230.0000 -139.23423 -137.01982 2.21442 1.74177 -137.05967 312.16578
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235.0000 -139.27299 -136.92324 2.34975 1.75249 -136.90472 319.51078
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240.0000 -139.40429 -137.23723 2.16706 1.73192 -137.20217 297.79485
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245.0000 -138.73062 -136.72792 2.00269 1.74824 -136.96622 311.18292
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250.0000 -138.88362 -136.39580 2.48781 1.76425 -136.73467 329.19308
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MELTING PROCESS: loop number 2 T-loop= 366.00000000000000
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main_MD> interactions number 2 at Temperature= 366.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.03346 -0.13269 -1.22961
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force_rgl> df(natom) -0.17564 1.69745 0.86928
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255.0000 -138.92717 -136.13995 2.78722 1.77930 -136.51699 346.89036
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260.0000 -139.20718 -136.19255 3.01463 1.81124 -136.05503 374.81753
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265.0000 -139.36378 -136.11259 3.25119 1.80247 -136.18186 369.27915
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270.0000 -138.23701 -136.01645 2.22056 1.83332 -135.73569 387.65889
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275.0000 -138.64542 -136.38756 2.25786 1.81174 -136.04784 374.70149
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280.0000 -138.91024 -136.59269 2.31755 1.78738 -136.40009 348.59132
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285.0000 -138.69583 -136.48589 2.20994 1.78005 -136.50612 336.13074
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290.0000 -139.05311 -136.74331 2.30980 1.76953 -136.65822 334.19059
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295.0000 -138.76461 -136.42091 2.34370 1.77277 -136.61145 338.14425
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300.0000 -138.48768 -135.54228 2.94540 1.80941 -136.08153 368.94475
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305.0000 -138.72936 -136.31383 2.41554 1.82425 -135.86695 390.68896
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310.0000 -138.88342 -136.00211 2.88132 1.80187 -136.19056 369.22385
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315.0000 -137.91398 -135.06820 2.84578 1.84940 -135.50308 407.72920
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320.0000 -139.14971 -136.42018 2.72953 1.83220 -135.75184 395.07256
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325.0000 -138.83339 -136.56884 2.26455 1.78170 -136.48226 349.93291
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330.0000 -138.73446 -135.78540 2.94906 1.79228 -136.32924 354.83654
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335.0000 -138.77965 -135.93163 2.84802 1.81924 -135.93941 376.96957
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340.0000 -138.49544 -136.23530 2.26014 1.80392 -136.16096 369.25756
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345.0000 -139.27357 -136.33079 2.94278 1.78408 -136.44791 351.38469
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350.0000 -138.75134 -136.14119 2.61015 1.79734 -136.25602 368.37410
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355.0000 -138.19978 -135.80918 2.39059 1.82192 -135.90060 387.12647
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360.0000 -139.12945 -136.51219 2.61726 1.80766 -136.10685 371.70502
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365.0000 -138.69772 -136.29337 2.40435 1.77344 -136.60176 339.34624
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370.0000 -138.83029 -136.09958 2.73071 1.79491 -136.29116 360.60855
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375.0000 -139.07287 -136.67447 2.39840 1.80555 -136.13732 371.51275
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380.0000 -138.63543 -136.51668 2.11875 1.78168 -136.48258 350.05896
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385.0000 -138.45196 -135.71977 2.73219 1.81622 -135.98308 381.54540
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390.0000 -138.32221 -135.73646 2.58575 1.79929 -136.22785 367.21447
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395.0000 -138.39514 -135.40418 2.99096 1.84975 -135.49811 410.24733
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400.0000 -138.40780 -135.89321 2.51459 1.84718 -135.53526 402.44701
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405.0000 -139.00986 -136.43074 2.57912 1.78520 -136.43162 347.98800
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410.0000 -139.05736 -137.00172 2.05564 1.78920 -136.37382 346.04714
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415.0000 -139.45367 -137.04517 2.40850 1.73461 -137.16330 300.42549
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420.0000 -138.81290 -136.20361 2.60929 1.78028 -136.50275 341.09806
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425.0000 -138.88284 -136.77477 2.10807 1.77640 -136.55893 338.50766
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430.0000 -138.63744 -136.37355 2.26389 1.78014 -136.50482 341.35550
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435.0000 -138.68411 -136.50663 2.17748 1.77710 -136.54877 329.70273
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440.0000 -138.30772 -136.02590 2.28182 1.79539 -136.28420 347.07492
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445.0000 -138.66365 -136.30859 2.35506 1.81926 -135.93903 377.64229
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450.0000 -138.97534 -136.01346 2.96188 1.79881 -136.23479 352.35168
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455.0000 -139.10961 -136.25721 2.85240 1.83390 -135.72730 390.56355
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460.0000 -138.76989 -136.35046 2.41943 1.77004 -136.65092 328.33059
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465.0000 -138.77959 -135.94412 2.83547 1.81460 -136.00639 373.10135
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470.0000 -138.68763 -136.32299 2.36464 1.79221 -136.33025 349.32803
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475.0000 -138.59541 -136.07569 2.51972 1.80715 -136.11424 358.75037
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480.0000 -138.72744 -136.20403 2.52341 1.80838 -136.09645 365.54726
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485.0000 -138.68886 -136.08674 2.60212 1.79782 -136.24915 354.26566
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490.0000 -138.82365 -136.11618 2.70747 1.80602 -136.13053 364.10715
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495.0000 -138.90395 -135.91309 2.99085 1.80982 -136.07555 367.88611
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500.0000 -138.27678 -135.64846 2.62833 1.83852 -135.66055 391.09722
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MELTING PROCESS: loop number 3 T-loop= 391.00000000000000
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main_MD> interactions number 3 at Temperature= 391.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.36842 0.98832 -1.21061
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force_rgl> df(natom) 1.17278 0.77854 -4.69565
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505.0000 -138.40132 -135.47819 2.92313 1.84239 -135.60457 393.26314
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510.0000 -138.20202 -135.60395 2.59806 1.83787 -135.66989 391.60063
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515.0000 -138.24754 -135.90923 2.33831 1.84799 -135.52359 399.51939
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520.0000 -138.33632 -135.83795 2.49837 1.82859 -135.80408 365.57011
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525.0000 -138.99720 -135.55774 3.43946 1.83116 -135.76693 412.24970
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530.0000 -138.85708 -136.07957 2.77751 1.83350 -135.73306 413.04909
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535.0000 -138.73101 -136.15814 2.57287 1.82306 -135.88413 405.23461
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540.0000 -138.58857 -135.64187 2.94670 1.82363 -135.87586 404.10617
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545.0000 -138.34499 -136.37234 1.97265 1.79933 -136.22729 382.50152
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550.0000 -138.93668 -136.32764 2.60905 1.78164 -136.48319 365.58095
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555.0000 -138.54754 -136.02634 2.52120 1.80080 -136.20597 384.04804
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560.0000 -139.08686 -136.60903 2.47783 1.79153 -136.34011 376.09555
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565.0000 -138.25965 -135.13639 3.12326 1.82917 -135.79574 406.22351
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570.0000 -138.40017 -135.70297 2.69720 1.86318 -135.30389 442.90534
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575.0000 -138.79608 -136.08655 2.70953 1.82085 -135.91609 395.61018
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580.0000 -138.37237 -135.40928 2.96309 1.82565 -135.84667 403.62493
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585.0000 -138.53037 -135.94319 2.58718 1.81998 -135.92858 404.73543
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590.0000 -139.45374 -136.29706 3.15668 1.81112 -136.05670 386.61900
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595.0000 -139.09119 -135.42635 3.66484 1.81467 -136.00543 397.89320
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600.0000 -139.10680 -136.37955 2.72725 1.83190 -135.75619 411.02352
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605.0000 -138.62165 -136.03269 2.58895 1.82834 -135.80774 414.65961
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610.0000 -138.88762 -135.95116 2.93646 1.81719 -135.96900 399.47169
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615.0000 -138.26286 -135.37603 2.88682 1.84889 -135.51050 426.49016
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620.0000 -139.07785 -136.26288 2.81498 1.81888 -135.94449 394.39896
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625.0000 -138.85083 -136.50177 2.34906 1.78242 -136.47180 364.27672
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630.0000 -139.17300 -136.55894 2.61405 1.78208 -136.47674 361.17819
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635.0000 -138.68168 -136.05125 2.63043 1.80143 -136.19693 380.88023
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640.0000 -138.71789 -136.16856 2.54933 1.80423 -136.15645 384.36118
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645.0000 -139.28962 -136.00113 3.28849 1.79210 -136.33188 375.96403
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650.0000 -139.18144 -136.51510 2.66634 1.78431 -136.44448 369.93935
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655.0000 -138.41024 -135.89178 2.51845 1.77404 -136.59301 364.38537
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660.0000 -138.75189 -135.32425 3.42764 1.83503 -135.71092 412.69519
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665.0000 -138.24448 -135.58241 2.66207 1.85517 -135.41965 424.42784
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670.0000 -139.16526 -135.99587 3.16939 1.82656 -135.83341 402.31412
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675.0000 -138.39103 -135.68487 2.70616 1.82044 -135.92198 404.03674
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680.0000 -139.15410 -135.85598 3.29812 1.82313 -135.88302 399.22213
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685.0000 -138.54888 -135.34293 3.20595 1.85779 -135.38183 434.00667
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690.0000 -138.68043 -135.89986 2.78058 1.83606 -135.69610 424.55018
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695.0000 -139.25445 -136.54457 2.70988 1.81138 -136.05294 405.10812
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700.0000 -139.30564 -136.42576 2.87988 1.79185 -136.33553 374.40974
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705.0000 -138.93251 -136.40582 2.52669 1.81006 -136.07205 391.79439
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710.0000 -138.75703 -135.88506 2.87197 1.79252 -136.32574 371.98873
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715.0000 -139.01874 -135.99039 3.02835 1.81237 -136.03864 390.77318
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720.0000 -138.86643 -136.28498 2.58145 1.81648 -135.97932 399.15730
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725.0000 -139.08300 -136.53052 2.55248 1.78621 -136.41697 370.95224
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730.0000 -139.13636 -137.03059 2.10578 1.77725 -136.54656 360.82027
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735.0000 -139.26646 -136.78893 2.47753 1.75900 -136.81053 343.32674
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740.0000 -139.08671 -136.38445 2.70225 1.78582 -136.42274 370.00850
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745.0000 -139.36015 -136.79546 2.56469 1.77674 -136.55394 364.24967
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750.0000 -138.96744 -136.29399 2.67346 1.79901 -136.23195 380.30154
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MELTING PROCESS: loop number 4 T-loop= 416.00000000000000
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main_MD> interactions number 4 at Temperature= 416.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.12233 -0.67635 -2.57840
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force_rgl> df(natom) 0.84919 0.57231 5.83083
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755.0000 -138.68887 -135.43720 3.25167 1.82977 -135.78705 415.46947
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760.0000 -139.04339 -135.12182 3.92157 1.85974 -135.35355 427.57575
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765.0000 -138.21759 -135.07551 3.14208 1.86774 -135.23791 436.62608
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770.0000 -137.96038 -134.97071 2.98967 1.84491 -135.56806 426.37313
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775.0000 -137.89796 -134.87888 3.01908 1.88703 -134.95889 471.03370
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780.0000 -137.85501 -135.22677 2.62825 1.86168 -135.32562 430.92461
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785.0000 -138.32040 -135.45807 2.86233 1.85219 -135.46285 429.82356
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790.0000 -138.78643 -135.64832 3.13811 1.83828 -135.66399 409.38986
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795.0000 -139.26812 -136.71729 2.55083 1.80313 -136.17234 386.58635
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800.0000 -138.67413 -135.83712 2.83700 1.80115 -136.20090 382.13095
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805.0000 -139.14175 -136.20666 2.93509 1.81667 -135.97651 396.96631
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810.0000 -138.17772 -135.20771 2.97001 1.81914 -135.94081 393.77358
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815.0000 -139.03738 -135.85458 3.18280 1.84931 -135.50449 420.15215
|
|
820.0000 -138.82121 -136.17618 2.64503 1.81149 -136.05143 390.15050
|
|
825.0000 -138.72149 -135.69298 3.02852 1.84082 -135.62717 425.05990
|
|
830.0000 -138.80219 -135.74789 3.05430 1.85058 -135.48603 426.57006
|
|
835.0000 -138.74213 -136.05398 2.68814 1.81044 -136.06667 389.21152
|
|
840.0000 -138.42041 -135.49501 2.92540 1.84334 -135.59082 421.70640
|
|
845.0000 -138.61446 -135.58208 3.03238 1.84057 -135.63081 423.09252
|
|
850.0000 -138.96412 -135.74868 3.21544 1.84473 -135.57067 426.07306
|
|
855.0000 -137.87589 -135.18495 2.69094 1.83820 -135.66515 418.81863
|
|
860.0000 -138.61908 -135.49218 3.12691 1.85616 -135.40535 432.66961
|
|
865.0000 -138.65638 -135.97371 2.68267 1.82949 -135.79114 415.83097
|
|
870.0000 -139.02618 -136.01431 3.01187 1.80244 -136.18226 383.55051
|
|
875.0000 -138.89794 -136.35417 2.54376 1.81048 -136.06605 391.59777
|
|
880.0000 -139.04620 -135.84883 3.19737 1.81270 -136.03389 394.18892
|
|
885.0000 -138.91598 -136.31325 2.60273 1.78735 -136.40052 369.43705
|
|
890.0000 -138.87594 -136.10083 2.77511 1.80562 -136.13630 392.35150
|
|
895.0000 -138.88630 -136.28390 2.60240 1.79844 -136.24020 378.92951
|
|
900.0000 -138.60622 -135.59911 3.00711 1.81044 -136.06668 398.00339
|
|
905.0000 -138.09177 -135.17579 2.91598 1.86430 -135.28761 441.75574
|
|
910.0000 -138.63766 -134.97828 3.65939 1.87879 -135.07814 456.99779
|
|
915.0000 -138.37218 -134.98687 3.38531 1.90172 -134.74649 472.34350
|
|
920.0000 -138.47358 -135.59172 2.88186 1.86506 -135.27667 438.68946
|
|
925.0000 -138.97776 -135.62273 3.35503 1.84240 -135.60437 423.57597
|
|
930.0000 -138.54365 -135.36886 3.17479 1.83975 -135.64267 419.98584
|
|
935.0000 -137.97764 -134.94602 3.03162 1.90276 -134.73142 476.61480
|
|
940.0000 -138.43712 -135.04499 3.39213 1.86926 -135.21595 445.67815
|
|
945.0000 -138.98953 -135.22422 3.76531 1.85645 -135.40124 436.11294
|
|
950.0000 -138.48814 -135.67973 2.80840 1.86011 -135.34832 440.36646
|
|
955.0000 -139.28552 -136.67512 2.61039 1.78871 -136.38092 371.65005
|
|
960.0000 -138.81648 -135.67161 3.14487 1.81028 -136.06887 394.58942
|
|
965.0000 -138.41326 -135.29675 3.11650 1.82549 -135.84900 405.05242
|
|
970.0000 -138.60956 -135.66039 2.94918 1.83660 -135.68821 413.84808
|
|
975.0000 -138.70420 -135.44911 3.25509 1.83893 -135.65460 416.77458
|
|
980.0000 -138.66103 -136.07520 2.58584 1.84979 -135.49756 425.63102
|
|
985.0000 -139.17240 -135.88519 3.28721 1.82514 -135.85406 404.91531
|
|
990.0000 -138.87120 -136.00109 2.87011 1.83144 -135.76285 416.20610
|
|
995.0000 -138.74291 -135.68300 3.05991 1.86175 -135.32456 445.92871
|
|
1000.0000 -139.02765 -135.91808 3.10957 1.80384 -136.16200 386.91015
|
|
MELTING PROCESS: loop number 5 T-loop= 441.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 441.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.26958 1.06744 -1.08915
|
|
force_rgl> df(natom) -0.69359 -0.07418 2.96502
|
|
1005.0000 -138.43645 -134.94183 3.49462 1.86705 -135.24796 449.70834
|
|
1010.0000 -138.40167 -135.13091 3.27076 1.89736 -134.80959 474.94297
|
|
1015.0000 -138.87985 -135.77900 3.10085 1.84675 -135.54149 423.75362
|
|
1020.0000 -138.22354 -135.54380 2.67974 1.84910 -135.50750 426.21976
|
|
1025.0000 -138.46830 -135.37110 3.09720 1.86019 -135.34714 435.19752
|
|
1030.0000 -138.34246 -135.00495 3.33751 1.87006 -135.20435 448.20410
|
|
1035.0000 -138.34364 -135.44296 2.90068 1.87853 -135.08181 450.38574
|
|
1040.0000 -137.96101 -135.18468 2.77633 1.85315 -135.44887 437.45958
|
|
1045.0000 -138.74686 -135.48472 3.26214 1.87148 -135.18387 445.39348
|
|
1050.0000 -138.71390 -135.46915 3.24474 1.86264 -135.31164 432.65999
|
|
1055.0000 -138.28505 -134.71555 3.56951 1.86716 -135.24630 454.53585
|
|
1060.0000 -137.55394 -133.89955 3.65439 1.90589 -134.68622 481.81145
|
|
1065.0000 -138.08500 -134.42929 3.65571 1.93979 -134.19589 505.42974
|
|
1070.0000 -138.34274 -135.48150 2.86123 1.86102 -135.33510 439.30481
|
|
1075.0000 -138.20387 -135.01790 3.18598 1.86094 -135.33632 438.57968
|
|
1080.0000 -137.51184 -134.48385 3.02800 1.88767 -134.94966 462.04249
|
|
1085.0000 -138.54835 -136.15643 2.39192 1.83404 -135.72536 405.69926
|
|
1090.0000 -138.20943 -135.46294 2.74649 1.83392 -135.72698 414.98964
|
|
1095.0000 -138.80411 -135.94635 2.85776 1.84444 -135.57494 423.89925
|
|
1100.0000 -137.84505 -135.16928 2.67577 1.86386 -135.29401 440.11314
|
|
1105.0000 -138.25058 -135.27330 2.97728 1.85587 -135.40951 434.86348
|
|
1110.0000 -138.97272 -135.47918 3.49355 1.86725 -135.24492 448.46194
|
|
1115.0000 -138.09602 -134.20856 3.88746 1.91079 -134.61525 486.93319
|
|
1120.0000 -138.48727 -135.12205 3.36522 1.92512 -134.40806 500.21055
|
|
1125.0000 -138.82258 -134.52098 4.30161 1.90209 -134.74108 487.63414
|
|
1130.0000 -138.12228 -135.46285 2.65943 1.89722 -134.81150 469.83920
|
|
1135.0000 -138.90785 -135.98538 2.92247 1.84188 -135.61196 418.95411
|
|
1140.0000 -138.71018 -135.84038 2.86980 1.80791 -136.10314 390.14353
|
|
1145.0000 -138.66547 -135.62578 3.03969 1.82453 -135.86277 405.58817
|
|
1150.0000 -138.08998 -134.66295 3.42703 1.87874 -135.07875 453.10298
|
|
1155.0000 -138.44508 -134.73566 3.70942 1.92185 -134.45535 502.69425
|
|
1160.0000 -138.16188 -135.06592 3.09596 1.88157 -135.03782 459.34550
|
|
1165.0000 -137.40744 -134.18461 3.22283 1.92244 -134.44680 487.87010
|
|
1170.0000 -138.49417 -134.84112 3.65305 1.89513 -134.84180 465.38069
|
|
1175.0000 -138.40311 -135.23837 3.16473 1.87537 -135.12754 449.16842
|
|
1180.0000 -138.52630 -134.98819 3.53811 1.86140 -135.32959 433.62744
|
|
1185.0000 -138.77143 -134.90442 3.86701 1.89240 -134.88126 471.17515
|
|
1190.0000 -138.45404 -135.58522 2.86883 1.89403 -134.85776 466.94836
|
|
1195.0000 -139.11026 -135.84900 3.26126 1.81618 -135.98359 396.06728
|
|
1200.0000 -138.84966 -135.56247 3.28719 1.80565 -136.13594 387.28772
|
|
1205.0000 -138.59510 -135.13203 3.46307 1.88614 -134.97184 460.53034
|
|
1210.0000 -138.79098 -135.31435 3.47663 1.88665 -134.96441 467.16987
|
|
1215.0000 -137.59849 -134.83752 2.76097 1.89377 -134.86148 464.42667
|
|
1220.0000 -138.59850 -135.51603 3.08247 1.87711 -135.10242 455.13390
|
|
1225.0000 -138.41056 -135.22128 3.18928 1.86340 -135.30065 440.40257
|
|
1230.0000 -138.39827 -135.02625 3.37202 1.87333 -135.15710 447.80575
|
|
1235.0000 -138.25821 -135.17013 3.08808 1.87683 -135.10637 447.72447
|
|
1240.0000 -138.42540 -135.16878 3.25662 1.86131 -135.33090 442.01518
|
|
1245.0000 -138.54587 -135.90805 2.63782 1.85231 -135.46104 432.11507
|
|
1250.0000 -138.45389 -135.61857 2.83532 1.84154 -135.61681 414.14848
|
|
MELTING PROCESS: loop number 6 T-loop= 466.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 466.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.31659 3.08028 0.57508
|
|
force_rgl> df(natom) -0.09617 -1.49323 -0.34641
|
|
1255.0000 -138.16829 -135.38660 2.78169 1.85136 -135.47479 430.72213
|
|
1260.0000 -138.14621 -135.25795 2.88826 1.86445 -135.28553 440.67799
|
|
1265.0000 -137.79492 -134.94969 2.84523 1.86413 -135.29008 439.31999
|
|
1270.0000 -138.03474 -134.87020 3.16454 1.83204 -135.75420 410.54612
|
|
1275.0000 -138.27668 -135.11902 3.15766 1.88736 -134.95410 459.39432
|
|
1280.0000 -138.81659 -135.01098 3.80561 1.87707 -135.10304 448.54428
|
|
1285.0000 -138.10019 -134.63839 3.46180 1.89917 -134.78333 475.05354
|
|
1290.0000 -137.82976 -133.86703 3.96273 1.93866 -134.21227 509.96123
|
|
1295.0000 -138.54852 -135.04203 3.50649 1.94081 -134.18111 511.06773
|
|
1300.0000 -138.03424 -134.64232 3.39192 1.89623 -134.82594 473.20188
|
|
1305.0000 -138.25432 -134.70354 3.55078 1.92413 -134.42237 492.23034
|
|
1310.0000 -138.30094 -134.49270 3.80824 1.93748 -134.22934 511.53026
|
|
1315.0000 -137.89946 -134.54335 3.35611 1.92138 -134.46215 489.53418
|
|
1320.0000 -138.54420 -135.27170 3.27249 1.88187 -135.03355 458.21493
|
|
1325.0000 -137.99465 -135.12720 2.86745 1.85101 -135.47990 435.20141
|
|
1330.0000 -138.12896 -135.54693 2.58204 1.88960 -134.92172 470.25614
|
|
1335.0000 -138.17222 -135.26478 2.90744 1.86399 -135.29220 445.58786
|
|
1340.0000 -137.99400 -134.50597 3.48803 1.90845 -134.64909 481.56179
|
|
1345.0000 -137.68717 -134.42848 3.25870 1.90859 -134.64708 474.41403
|
|
1350.0000 -137.91991 -135.07639 2.84353 1.88262 -135.02270 454.44888
|
|
1355.0000 -138.14903 -135.48277 2.66626 1.88057 -135.05240 447.90716
|
|
1360.0000 -138.39392 -135.13895 3.25497 1.86109 -135.33412 437.44576
|
|
1365.0000 -137.79475 -134.34259 3.45216 1.88791 -134.94627 452.43068
|
|
1370.0000 -137.60811 -134.26802 3.34010 1.95866 -133.92300 519.30219
|
|
1375.0000 -137.76055 -133.96814 3.79242 1.94863 -134.06799 514.42644
|
|
1380.0000 -138.41606 -134.55489 3.86117 1.92325 -134.43516 494.27978
|
|
1385.0000 -137.52901 -134.13848 3.39054 1.92702 -134.38056 501.80305
|
|
1390.0000 -138.48097 -135.12604 3.35493 1.88810 -134.94343 448.13915
|
|
1395.0000 -138.80450 -135.96805 2.83644 1.82942 -135.79211 402.34702
|
|
1400.0000 -137.81747 -135.02642 2.79105 1.85624 -135.40427 427.63158
|
|
1405.0000 -138.78849 -135.17514 3.61334 1.89501 -134.84351 458.31907
|
|
1410.0000 -138.27942 -134.73743 3.54198 1.86487 -135.27940 443.85642
|
|
1415.0000 -139.10116 -135.84811 3.25305 1.87683 -135.10645 456.34559
|
|
1420.0000 -138.94259 -136.46047 2.48212 1.81300 -136.02953 400.71218
|
|
1425.0000 -138.67865 -135.74159 2.93706 1.79343 -136.31262 373.96278
|
|
1430.0000 -139.07205 -135.73169 3.34036 1.81448 -136.00817 392.20824
|
|
1435.0000 -138.59055 -135.46700 3.12355 1.83786 -135.67008 416.89927
|
|
1440.0000 -138.17412 -135.33683 2.83729 1.86340 -135.30071 442.68372
|
|
1445.0000 -138.22201 -134.33924 3.88277 1.88928 -134.92643 465.56329
|
|
1450.0000 -137.96089 -134.63920 3.32169 1.90175 -134.74609 475.21450
|
|
1455.0000 -138.43583 -134.92704 3.50879 1.89212 -134.88534 472.59605
|
|
1460.0000 -137.13598 -133.83220 3.30378 1.92921 -134.34888 500.67101
|
|
1465.0000 -138.00996 -134.71619 3.29377 1.92998 -134.33772 496.97392
|
|
1470.0000 -137.56282 -134.44546 3.11736 1.92844 -134.36003 501.27047
|
|
1475.0000 -138.91512 -135.68479 3.23033 1.86573 -135.26695 441.75774
|
|
1480.0000 -139.02567 -135.68905 3.33662 1.83142 -135.76324 409.55251
|
|
1485.0000 -138.57239 -135.59944 2.97296 1.85205 -135.46478 424.64556
|
|
1490.0000 -138.24343 -135.42333 2.82010 1.86632 -135.25838 447.05369
|
|
1495.0000 -138.37195 -134.67662 3.69533 1.87953 -135.06746 459.28307
|
|
1500.0000 -139.12698 -135.99943 3.12755 1.86177 -135.32431 436.31149
|
|
MELTING PROCESS: loop number 7 T-loop= 491.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 491.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.46408 3.02990 0.80685
|
|
force_rgl> df(natom) -0.53787 -0.70111 -1.07596
|
|
1505.0000 -138.50511 -135.27971 3.22540 1.85860 -135.37003 442.71626
|
|
1510.0000 -139.03432 -135.40283 3.63149 1.87037 -135.19992 448.52313
|
|
1515.0000 -138.51782 -135.55431 2.96352 1.85570 -135.41197 445.31463
|
|
1520.0000 -137.47158 -134.18194 3.28964 1.90618 -134.68204 479.86591
|
|
1525.0000 -137.26227 -133.75739 3.50489 1.95758 -133.93864 521.10343
|
|
1530.0000 -138.40907 -134.47168 3.93738 1.97308 -133.71450 537.58595
|
|
1535.0000 -138.52234 -134.81689 3.70545 1.90307 -134.72694 487.14580
|
|
1540.0000 -138.28452 -135.05285 3.23167 1.88506 -134.98748 458.97069
|
|
1545.0000 -137.55342 -134.04432 3.50910 1.88611 -134.97219 464.40307
|
|
1550.0000 -137.87470 -134.20559 3.66911 1.96532 -133.82673 539.67171
|
|
1555.0000 -137.16971 -133.83119 3.33852 1.95441 -133.98444 516.36069
|
|
1560.0000 -137.26692 -134.23730 3.02962 1.94773 -134.08106 525.57303
|
|
1565.0000 -137.03957 -133.25803 3.78153 1.95902 -133.91781 516.68644
|
|
1570.0000 -137.72775 -134.27343 3.45432 1.97585 -133.67440 541.35578
|
|
1575.0000 -137.43081 -133.11353 4.31729 1.97329 -133.71133 551.25501
|
|
1580.0000 -136.72540 -132.84025 3.88516 2.02000 -133.03592 574.53814
|
|
1585.0000 -137.76657 -134.20043 3.56613 1.98683 -133.51555 552.98874
|
|
1590.0000 -137.90772 -133.93224 3.97548 1.98629 -133.52345 538.22609
|
|
1595.0000 -137.95138 -134.36038 3.59099 1.91929 -134.49231 493.02105
|
|
1600.0000 -138.01983 -134.14315 3.87668 1.96369 -133.85029 528.48717
|
|
1605.0000 -137.92818 -134.19020 3.73797 1.93372 -134.28361 488.90327
|
|
1610.0000 -138.30734 -135.65421 2.65313 1.87761 -135.09515 450.73714
|
|
1615.0000 -138.35111 -134.49292 3.85818 1.88567 -134.97860 457.65557
|
|
1620.0000 -137.71321 -134.09154 3.62167 1.94373 -134.13884 523.37350
|
|
1625.0000 -137.19327 -134.07741 3.11586 1.94077 -134.18167 519.68656
|
|
1630.0000 -138.02862 -135.04774 2.98088 1.92537 -134.40444 497.07771
|
|
1635.0000 -137.26601 -134.21486 3.05115 1.90413 -134.71159 485.88121
|
|
1640.0000 -137.95067 -135.15141 2.79926 1.88928 -134.92637 463.46132
|
|
1645.0000 -137.81532 -134.71674 3.09859 1.87517 -135.13049 446.78117
|
|
1650.0000 -138.06414 -134.46887 3.59527 1.91790 -134.51244 488.27064
|
|
1655.0000 -138.13154 -134.64896 3.48258 1.91494 -134.55533 489.19404
|
|
1660.0000 -137.81774 -134.45952 3.35822 1.91188 -134.59949 478.85995
|
|
1665.0000 -137.77222 -134.60211 3.17011 1.89003 -134.91552 458.19530
|
|
1670.0000 -138.26073 -134.93272 3.32801 1.89722 -134.81154 465.97380
|
|
1675.0000 -137.98680 -134.34987 3.63692 1.91693 -134.52644 488.27094
|
|
1680.0000 -138.11088 -135.38469 2.72619 1.91606 -134.53915 488.00319
|
|
1685.0000 -138.18374 -134.83826 3.34549 1.86961 -135.21087 446.92611
|
|
1690.0000 -138.51121 -135.03579 3.47542 1.87908 -135.07395 460.37664
|
|
1695.0000 -137.60187 -134.63644 2.96543 1.83845 -135.66151 414.06704
|
|
1700.0000 -137.64212 -134.24688 3.39524 1.95486 -133.97794 526.44078
|
|
1705.0000 -137.83274 -134.41177 3.42097 1.90832 -134.65096 478.70793
|
|
1710.0000 -138.03417 -134.50629 3.52788 1.93402 -134.27932 508.61702
|
|
1715.0000 -138.10719 -134.35565 3.75154 1.95799 -133.93268 529.73221
|
|
1720.0000 -138.01864 -134.75511 3.26353 1.89752 -134.80717 469.53861
|
|
1725.0000 -137.79272 -134.06879 3.72393 1.94214 -134.16191 507.61638
|
|
1730.0000 -137.84710 -134.20499 3.64212 1.92351 -134.43127 483.65050
|
|
1735.0000 -138.17519 -134.60005 3.57515 1.93736 -134.23105 508.26385
|
|
1740.0000 -138.19988 -135.04305 3.15683 1.89828 -134.79620 468.47128
|
|
1745.0000 -137.73320 -135.09893 2.63427 1.87480 -135.13576 452.22385
|
|
1750.0000 -137.95317 -134.23081 3.72236 1.89855 -134.79237 467.31377
|
|
MELTING PROCESS: loop number 8 T-loop= 516.00000000000000
|
|
main_MD> interactions number 8 at Temperature= 516.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.03785 -0.12113 -0.55863
|
|
force_rgl> df(natom) 0.41143 -0.27965 -1.18071
|
|
1755.0000 -137.16432 -133.48526 3.67906 1.98554 -133.53429 550.57726
|
|
1760.0000 -137.51518 -134.52484 2.99033 1.94173 -134.16778 504.20311
|
|
1765.0000 -137.81818 -133.71300 4.10518 1.93075 -134.32668 496.60324
|
|
1770.0000 -137.71546 -134.10247 3.61300 1.92425 -134.42062 492.16861
|
|
1775.0000 -136.77076 -133.18638 3.58438 1.95378 -133.99355 484.80277
|
|
1780.0000 -136.80074 -133.43099 3.36975 2.02665 -132.93969 557.56582
|
|
1785.0000 -137.29994 -133.37317 3.92677 2.00663 -133.22928 519.88976
|
|
1790.0000 -136.99964 -133.22797 3.77167 1.97999 -133.61452 482.47201
|
|
1795.0000 -136.93204 -133.43924 3.49279 2.03164 -132.86748 540.14510
|
|
1800.0000 -136.13177 -132.95531 3.17646 2.05856 -132.47818 532.73518
|
|
1805.0000 -136.75914 -133.11761 3.64153 2.03594 -132.80531 499.39439
|
|
1810.0000 -136.37536 -133.37832 2.99704 2.01868 -133.05489 500.63185
|
|
1815.0000 -137.42985 -133.66652 3.76334 2.00131 -133.30619 494.25742
|
|
1820.0000 -135.69236 -132.54232 3.15005 2.02013 -133.03394 500.32589
|
|
1825.0000 -136.54889 -132.55626 3.99263 2.08232 -132.13454 528.56425
|
|
1830.0000 -136.24197 -132.51304 3.72894 2.07720 -132.20854 564.02868
|
|
1835.0000 -136.51376 -132.91327 3.60048 2.04891 -132.61778 526.08920
|
|
1840.0000 -136.24049 -132.90721 3.33328 2.05089 -132.58917 527.72344
|
|
1845.0000 -136.21067 -132.25689 3.95377 2.04126 -132.72833 518.63828
|
|
1850.0000 -135.74435 -132.16670 3.57764 2.07516 -132.23807 533.71921
|
|
1855.0000 -136.42661 -133.17910 3.24751 2.04451 -132.68135 498.31493
|
|
1860.0000 -136.82702 -132.89070 3.93633 2.01368 -133.12719 485.57354
|
|
1865.0000 -135.57262 -131.65416 3.91846 2.07158 -132.28982 556.69342
|
|
1870.0000 -136.37661 -131.91344 4.46317 2.10017 -131.87640 547.68503
|
|
1875.0000 -136.27255 -132.99695 3.27560 2.03781 -132.77833 507.29124
|
|
1880.0000 -137.60319 -134.22950 3.37369 2.00156 -133.30253 479.66814
|
|
1885.0000 -136.71033 -133.68753 3.02280 1.96000 -133.90356 452.55328
|
|
1890.0000 -136.93090 -133.06207 3.86883 2.02291 -132.99375 511.89198
|
|
1895.0000 -136.63535 -133.03725 3.59810 2.01753 -133.07156 503.81113
|
|
1900.0000 -136.41054 -133.10330 3.30724 2.05320 -132.55573 527.57825
|
|
1905.0000 -136.41750 -133.19415 3.22334 2.01419 -133.11990 489.72061
|
|
1910.0000 -136.17470 -132.60523 3.56948 2.05031 -132.59744 531.99623
|
|
1915.0000 -135.91259 -132.08171 3.83088 2.07551 -132.23309 529.40709
|
|
1920.0000 -136.99462 -133.27117 3.72345 2.07579 -132.22902 537.51146
|
|
1925.0000 -136.49328 -132.90948 3.58380 2.03297 -132.84834 515.73398
|
|
1930.0000 -136.27087 -132.78147 3.48940 2.01760 -133.07056 469.38547
|
|
1935.0000 -136.95085 -133.46204 3.48880 2.03285 -132.85002 502.11713
|
|
1940.0000 -136.79076 -132.79273 3.99802 2.04042 -132.74056 520.90988
|
|
1945.0000 -136.64089 -132.76987 3.87102 2.02578 -132.95222 499.19271
|
|
1950.0000 -137.24002 -132.72487 4.51515 2.01551 -133.10079 498.71251
|
|
1955.0000 -136.44861 -133.03071 3.41790 2.01475 -133.11171 484.99335
|
|
1960.0000 -136.30134 -132.97544 3.32591 2.00454 -133.25942 503.80615
|
|
1965.0000 -136.91489 -133.56050 3.35439 2.03065 -132.88178 525.60773
|
|
1970.0000 -137.40105 -133.84085 3.56019 1.97261 -133.72127 496.84446
|
|
1975.0000 -137.16484 -134.15032 3.01452 1.91836 -134.50585 432.63084
|
|
1980.0000 -136.96600 -133.62616 3.33984 1.96606 -133.81590 455.31358
|
|
1985.0000 -136.94594 -132.89634 4.04960 2.00638 -133.23278 495.87095
|
|
1990.0000 -136.44830 -132.56022 3.88808 2.03856 -132.76738 522.30849
|
|
1995.0000 -136.26840 -132.36179 3.90661 2.05233 -132.56825 534.92797
|
|
2000.0000 -136.60422 -134.17998 2.42424 2.01547 -133.10137 505.51776
|
|
MELTING PROCESS: loop number 9 T-loop= 541.00000000000000
|
|
main_MD> interactions number 9 at Temperature= 541.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.09482 1.15999 0.14158
|
|
force_rgl> df(natom) -0.70367 2.40781 3.01797
|
|
2005.0000 -136.95948 -133.15661 3.80287 1.98578 -133.53078 471.31123
|
|
2010.0000 -136.26218 -132.24184 4.02033 2.06004 -132.45674 510.77319
|
|
2015.0000 -137.33468 -132.48274 4.85194 2.05294 -132.55940 552.66930
|
|
2020.0000 -136.04139 -131.63427 4.40712 2.08926 -132.03421 581.36143
|
|
2025.0000 -136.49441 -132.37511 4.11930 2.07262 -132.27487 568.90059
|
|
2030.0000 -137.06190 -132.91050 4.15140 2.05561 -132.52086 543.03209
|
|
2035.0000 -135.53237 -131.95479 3.57758 2.05056 -132.59383 537.75402
|
|
2040.0000 -136.63436 -132.73952 3.89485 2.06318 -132.41135 521.08914
|
|
2045.0000 -137.36512 -133.77873 3.58640 2.00913 -133.19313 478.80289
|
|
2050.0000 -136.34273 -132.72066 3.62207 2.00052 -133.31758 499.90859
|
|
2055.0000 -135.11876 -132.06480 3.05395 2.02600 -132.94905 503.74792
|
|
2060.0000 -135.54620 -132.01903 3.52718 2.08362 -132.11577 525.27238
|
|
2065.0000 -135.71960 -131.97776 3.74184 2.11029 -131.73007 576.64177
|
|
2070.0000 -135.18534 -131.56250 3.62284 2.11543 -131.65576 570.63275
|
|
2075.0000 -136.19043 -131.52492 4.66551 2.13815 -131.32706 599.27439
|
|
2080.0000 -135.92146 -132.12728 3.79419 2.12172 -131.56478 581.62629
|
|
2085.0000 -135.82699 -131.63548 4.19151 2.09085 -132.01126 546.69942
|
|
2090.0000 -136.27172 -132.12750 4.14421 2.10652 -131.78456 535.89614
|
|
2095.0000 -135.19689 -131.18684 4.01005 2.10758 -131.76920 559.75633
|
|
2100.0000 -135.28313 -130.90760 4.37553 2.18849 -130.59912 584.13911
|
|
2105.0000 -136.50417 -130.98864 5.51553 2.16361 -130.95897 618.06977
|
|
2110.0000 -135.67598 -131.94144 3.73454 2.10286 -131.83745 589.18849
|
|
2115.0000 -136.90829 -132.62268 4.28561 2.06292 -132.41508 559.03544
|
|
2120.0000 -136.67780 -133.15392 3.52388 2.02856 -132.91202 513.02807
|
|
2125.0000 -135.92948 -132.09065 3.83883 2.07522 -132.23719 529.09502
|
|
2130.0000 -135.95572 -132.18610 3.76962 2.07071 -132.30243 554.13248
|
|
2135.0000 -136.38241 -132.31523 4.06718 2.04772 -132.63491 531.93204
|
|
2140.0000 -137.06789 -133.10683 3.96107 2.03574 -132.80827 520.78585
|
|
2145.0000 -136.02399 -132.73949 3.28450 2.05238 -132.56759 522.73779
|
|
2150.0000 -136.20607 -132.46117 3.74490 2.07441 -132.24895 544.35280
|
|
2155.0000 -136.47561 -133.17628 3.29933 2.04401 -132.68857 513.74007
|
|
2160.0000 -135.45396 -131.26038 4.19358 2.08911 -132.03629 549.53328
|
|
2165.0000 -136.05595 -132.45614 3.59981 2.08968 -132.02815 535.10825
|
|
2170.0000 -136.48364 -132.34577 4.13787 2.07488 -132.24220 532.75876
|
|
2175.0000 -136.39414 -132.38241 4.01172 2.04425 -132.68517 514.65962
|
|
2180.0000 -136.52676 -133.04743 3.47932 2.06972 -132.31679 550.04975
|
|
2185.0000 -137.23606 -133.62148 3.61458 1.99394 -133.41274 477.30447
|
|
2190.0000 -135.52287 -131.72625 3.79662 2.03934 -132.75619 518.93680
|
|
2195.0000 -136.85495 -133.20396 3.65099 2.07994 -132.16905 577.56708
|
|
2200.0000 -135.13151 -131.85682 3.27469 2.07114 -132.29628 539.30650
|
|
2205.0000 -135.15937 -131.24397 3.91540 2.13025 -131.44139 563.19381
|
|
2210.0000 -136.20350 -132.08106 4.12244 2.10272 -131.83953 554.94771
|
|
2215.0000 -136.57679 -133.38077 3.19602 2.05729 -132.49649 551.98154
|
|
2220.0000 -136.44461 -132.62968 3.81492 2.00705 -133.22310 510.35796
|
|
2225.0000 -136.46376 -132.48369 3.98007 2.03858 -132.76714 551.50451
|
|
2230.0000 -137.13192 -133.39776 3.73415 2.01269 -133.14157 528.39027
|
|
2235.0000 -136.63357 -132.39772 4.23585 2.02117 -133.01898 536.64016
|
|
2240.0000 -136.97264 -133.48254 3.49010 1.99421 -133.40878 483.79986
|
|
2245.0000 -136.55874 -133.44710 3.11163 1.96946 -133.76676 458.71424
|
|
2250.0000 -135.98397 -132.02302 3.96095 2.03926 -132.75737 539.51189
|
|
MELTING PROCESS: loop number 10 T-loop= 566.00000000000000
|
|
main_MD> interactions number 10 at Temperature= 566.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.21154 -0.58355 0.95308
|
|
force_rgl> df(natom) -1.47598 -0.60322 -0.52865
|
|
2255.0000 -136.16951 -131.74998 4.41954 2.08483 -132.09832 589.17149
|
|
2260.0000 -136.21916 -132.18953 4.02962 2.09204 -131.99394 597.18904
|
|
2265.0000 -137.35166 -133.62907 3.72260 1.98980 -133.47256 512.59906
|
|
2270.0000 -136.35174 -132.18610 4.16564 1.99251 -133.43346 528.50361
|
|
2275.0000 -136.63571 -132.49760 4.13811 2.03999 -132.74672 566.60658
|
|
2280.0000 -135.60913 -130.93296 4.67617 2.11914 -131.60201 601.93360
|
|
2285.0000 -135.85901 -131.93197 3.92704 2.12478 -131.52054 604.77574
|
|
2290.0000 -135.41822 -130.74132 4.67690 2.13667 -131.34851 594.19841
|
|
2295.0000 -135.35047 -131.33427 4.01621 2.17604 -130.77914 627.09823
|
|
2300.0000 -135.98048 -132.29122 3.68926 2.10002 -131.87857 553.82356
|
|
2305.0000 -136.03748 -131.24102 4.79646 2.09410 -131.96420 560.16396
|
|
2310.0000 -135.62690 -131.27205 4.35486 2.14432 -131.23790 597.14954
|
|
2315.0000 -135.09605 -131.28018 3.81588 2.15410 -131.09649 592.67458
|
|
2320.0000 -135.37113 -131.67127 3.69986 2.14395 -131.24323 574.76610
|
|
2325.0000 -136.25120 -132.35841 3.89279 2.07426 -132.25110 537.99155
|
|
2330.0000 -135.99539 -132.62018 3.37521 2.07818 -132.19437 551.78115
|
|
2335.0000 -135.42638 -132.07772 3.34866 2.03849 -132.76840 518.62977
|
|
2340.0000 -135.98953 -131.83609 4.15344 2.05828 -132.48230 532.58607
|
|
2345.0000 -135.02330 -131.36667 3.65663 2.13511 -131.37115 583.71445
|
|
2350.0000 -136.13545 -131.98210 4.15335 2.08195 -132.13993 543.19937
|
|
2355.0000 -135.97564 -131.72972 4.24592 2.12064 -131.58037 561.42758
|
|
2360.0000 -136.34621 -132.35478 3.99143 2.10341 -131.82959 596.27800
|
|
2365.0000 -135.68051 -132.66957 3.01094 2.05144 -132.58117 536.31373
|
|
2370.0000 -134.46910 -130.98400 3.48510 2.13702 -131.34340 585.88429
|
|
2375.0000 -135.74891 -131.16416 4.58475 2.15785 -131.04214 591.49759
|
|
2380.0000 -135.52135 -131.33578 4.18556 2.13530 -131.36839 583.67026
|
|
2385.0000 -135.73192 -131.67140 4.06053 2.17419 -130.80588 636.38060
|
|
2390.0000 -135.18705 -131.01931 4.16774 2.12269 -131.55068 570.27443
|
|
2395.0000 -135.48612 -131.39572 4.09039 2.15598 -131.06923 614.00092
|
|
2400.0000 -135.63941 -131.68562 3.95379 2.12534 -131.51240 566.93250
|
|
2405.0000 -135.72346 -130.98483 4.73863 2.13020 -131.44216 558.31954
|
|
2410.0000 -134.21278 -130.39618 3.81660 2.17720 -130.76240 637.65001
|
|
2415.0000 -134.43514 -130.05373 4.38141 2.23560 -129.91776 664.27368
|
|
2420.0000 -135.46110 -131.74894 3.71216 2.16148 -130.98977 626.48172
|
|
2425.0000 -136.65706 -132.54842 4.10865 2.05554 -132.52184 548.71573
|
|
2430.0000 -136.60357 -132.07841 4.52516 2.07841 -132.19113 568.14423
|
|
2435.0000 -136.31252 -132.92190 3.39062 2.04381 -132.69145 522.81086
|
|
2440.0000 -136.75736 -133.25909 3.49827 2.00483 -133.25525 466.20140
|
|
2445.0000 -135.97491 -132.03811 3.93679 2.08851 -132.04508 558.06340
|
|
2450.0000 -135.37907 -130.49029 4.88879 2.17893 -130.73728 619.08331
|
|
2455.0000 -135.82048 -131.62587 4.19460 2.15298 -131.11258 586.94631
|
|
2460.0000 -134.88002 -130.78303 4.09699 2.15301 -131.11214 588.02428
|
|
2465.0000 -135.12122 -130.95751 4.16371 2.15411 -131.09628 595.89166
|
|
2470.0000 -136.80945 -132.40775 4.40170 2.08714 -132.06490 543.09909
|
|
2475.0000 -135.52895 -131.96998 3.55897 2.07275 -132.27298 557.82678
|
|
2480.0000 -135.29007 -131.65786 3.63222 2.11299 -131.69100 574.04864
|
|
2485.0000 -134.53241 -130.88513 3.64728 2.12711 -131.48682 573.68006
|
|
2490.0000 -134.25919 -130.66200 3.59719 2.18932 -130.58707 628.12756
|
|
2495.0000 -135.19477 -131.79681 3.39796 2.13657 -131.34996 596.51914
|
|
2500.0000 -135.86494 -131.81448 4.05046 2.12098 -131.57537 575.71488
|
|
MELTING PROCESS: loop number 11 T-loop= 591.00000000000000
|
|
main_MD> interactions number 11 at Temperature= 591.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.65294 -1.35591 0.73496
|
|
force_rgl> df(natom) 1.04656 -1.24964 -1.88798
|
|
2505.0000 -135.39980 -131.29182 4.10798 2.09244 -131.98814 527.55248
|
|
2510.0000 -135.94762 -131.61228 4.33534 2.13192 -131.41726 579.88844
|
|
2515.0000 -135.76886 -131.89194 3.87692 2.12714 -131.48628 564.23916
|
|
2520.0000 -135.41073 -131.48781 3.92292 2.12339 -131.54059 576.12095
|
|
2525.0000 -136.54664 -132.38252 4.16412 2.07878 -132.18569 538.39228
|
|
2530.0000 -136.47801 -132.66855 3.80946 2.06194 -132.42931 513.72701
|
|
2535.0000 -135.70463 -132.27479 3.42984 2.06343 -132.40774 527.68131
|
|
2540.0000 -135.96265 -131.69957 4.26308 2.09670 -131.92654 555.53152
|
|
2545.0000 -137.02020 -132.83728 4.18292 2.08332 -132.12014 572.20177
|
|
2550.0000 -135.50202 -131.33838 4.16364 2.09048 -132.01658 596.67820
|
|
2555.0000 -135.34610 -131.55165 3.79445 2.12546 -131.51057 589.14006
|
|
2560.0000 -135.48062 -130.70903 4.77159 2.13100 -131.43059 586.81013
|
|
2565.0000 -135.52441 -131.05825 4.46616 2.17460 -130.79991 601.84090
|
|
2570.0000 -136.04516 -131.31081 4.73435 2.15996 -131.01175 601.09967
|
|
2575.0000 -135.58844 -131.43885 4.14959 2.14052 -131.29291 569.94378
|
|
2580.0000 -134.99585 -130.98603 4.00981 2.14465 -131.23306 591.86701
|
|
2585.0000 -135.72950 -131.45567 4.27383 2.16571 -130.92851 621.70785
|
|
2590.0000 -136.14277 -131.46468 4.67808 2.11210 -131.70379 579.61876
|
|
2595.0000 -136.17466 -130.88875 5.28591 2.10963 -131.73959 591.52027
|
|
2600.0000 -135.95631 -131.45587 4.50044 2.13347 -131.39486 585.91949
|
|
2605.0000 -135.87545 -131.31985 4.55561 2.11255 -131.69738 573.92212
|
|
2610.0000 -135.48166 -131.61772 3.86395 2.13886 -131.31690 590.17482
|
|
2615.0000 -134.92584 -131.74606 3.17978 2.11988 -131.59130 561.43043
|
|
2620.0000 -135.04303 -130.87381 4.16922 2.14542 -131.22197 592.27058
|
|
2625.0000 -135.71794 -131.35643 4.36151 2.14761 -131.19024 565.72842
|
|
2630.0000 -135.41884 -130.92591 4.49294 2.16423 -130.94987 617.33336
|
|
2635.0000 -136.10623 -131.77651 4.32972 2.15187 -131.12867 604.41687
|
|
2640.0000 -134.91857 -131.38502 3.53355 2.18082 -130.71002 611.37410
|
|
2645.0000 -135.78002 -132.05502 3.72500 2.11408 -131.67520 597.09207
|
|
2650.0000 -135.62079 -132.13266 3.48813 2.07073 -132.30224 559.99033
|
|
2655.0000 -135.44433 -131.50612 3.93821 2.10146 -131.85773 598.01450
|
|
2660.0000 -135.57544 -131.42543 4.15001 2.15754 -131.04664 598.06238
|
|
2665.0000 -135.46861 -130.64970 4.81891 2.17706 -130.76436 632.47367
|
|
2670.0000 -135.31572 -130.19456 5.12116 2.19283 -130.53633 604.63403
|
|
2675.0000 -135.10741 -130.94102 4.16638 2.16008 -131.01003 598.17814
|
|
2680.0000 -134.81120 -130.77111 4.04010 2.15529 -131.07919 622.99406
|
|
2685.0000 -134.64111 -130.43081 4.21029 2.18784 -130.60847 628.35546
|
|
2690.0000 -135.62426 -130.99774 4.62652 2.19462 -130.51042 616.60544
|
|
2695.0000 -133.86034 -129.74527 4.11507 2.19993 -130.43370 624.28502
|
|
2700.0000 -134.89005 -130.40585 4.48420 2.21238 -130.25359 642.32549
|
|
2705.0000 -134.99060 -130.80427 4.18633 2.19115 -130.56056 619.79897
|
|
2710.0000 -135.37648 -129.88036 5.49613 2.22309 -130.09873 655.27416
|
|
2715.0000 -135.21607 -131.56766 3.64841 2.18638 -130.62960 627.47794
|
|
2720.0000 -134.76078 -130.12513 4.63565 2.17408 -130.80743 618.05323
|
|
2725.0000 -135.68961 -131.96858 3.72103 2.18683 -130.62314 626.06485
|
|
2730.0000 -135.39178 -130.81176 4.58002 2.13184 -131.41841 595.57793
|
|
2735.0000 -135.41503 -130.48654 4.92849 2.17649 -130.77260 626.44866
|
|
2740.0000 -135.77802 -130.69850 5.07952 2.18240 -130.68716 634.11966
|
|
2745.0000 -134.65885 -130.51038 4.14847 2.19743 -130.46972 636.08525
|
|
2750.0000 -135.50907 -130.93642 4.57264 2.19341 -130.52798 613.16257
|
|
MELTING PROCESS: loop number 12 T-loop= 616.00000000000000
|
|
main_MD> interactions number 12 at Temperature= 616.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.99549 -0.44976 -4.11041
|
|
force_rgl> df(natom) 3.28259 0.92333 1.60002
|
|
2755.0000 -135.45639 -131.08490 4.37149 2.17828 -130.74669 599.89090
|
|
2760.0000 -134.31519 -130.07463 4.24055 2.19440 -130.51363 620.23802
|
|
2765.0000 -134.93319 -129.88702 5.04617 2.23161 -129.97543 635.29883
|
|
2770.0000 -135.42907 -130.92843 4.50064 2.18310 -130.67699 623.83376
|
|
2775.0000 -136.34343 -131.22455 5.11888 2.14069 -131.29033 591.95802
|
|
2780.0000 -135.66712 -132.33812 3.32901 2.11087 -131.72167 581.11340
|
|
2785.0000 -134.14463 -129.83010 4.31453 2.17435 -130.80361 607.24287
|
|
2790.0000 -134.77694 -130.95591 3.82103 2.19952 -130.43957 638.89229
|
|
2795.0000 -135.81098 -131.15593 4.65506 2.16789 -130.89705 596.65567
|
|
2800.0000 -134.01940 -129.34358 4.67581 2.21589 -130.20280 667.27039
|
|
2805.0000 -134.85054 -130.81808 4.03246 2.19066 -130.56769 618.97230
|
|
2810.0000 -134.52259 -129.72404 4.79855 2.18823 -130.60289 613.26886
|
|
2815.0000 -135.37523 -130.89018 4.48505 2.20591 -130.34721 634.94978
|
|
2820.0000 -135.45959 -131.27167 4.18792 2.18501 -130.64938 635.60566
|
|
2825.0000 -135.08809 -130.67418 4.41391 2.15090 -131.14276 599.19521
|
|
2830.0000 -134.29294 -130.64354 3.64941 2.23656 -129.90384 679.68816
|
|
2835.0000 -136.31985 -132.45630 3.86354 2.16399 -130.95334 631.27520
|
|
2840.0000 -135.19314 -131.08000 4.11314 2.10420 -131.81812 573.46654
|
|
2845.0000 -134.20132 -129.43423 4.76709 2.22983 -130.00127 644.17083
|
|
2850.0000 -135.15743 -130.44372 4.71371 2.22206 -130.11353 652.72897
|
|
2855.0000 -133.76689 -129.23740 4.52949 2.26404 -129.50642 687.78032
|
|
2860.0000 -134.25978 -130.63206 3.62772 2.24473 -129.78565 676.33263
|
|
2865.0000 -135.68430 -131.78038 3.90392 2.14987 -131.15757 618.42275
|
|
2870.0000 -135.90694 -132.21839 3.68854 2.08760 -132.05817 564.66162
|
|
2875.0000 -135.98382 -130.54769 5.43613 2.13350 -131.39435 584.35272
|
|
2880.0000 -134.74741 -130.76263 3.98478 2.15649 -131.06181 607.20115
|
|
2885.0000 -134.83487 -131.06278 3.77209 2.23138 -129.97875 633.69568
|
|
2890.0000 -135.67289 -131.33107 4.34181 2.15885 -131.02777 583.10321
|
|
2895.0000 -134.88428 -130.19580 4.68847 2.18247 -130.68620 656.63747
|
|
2900.0000 -134.93190 -130.62062 4.31129 2.21333 -130.23980 645.44983
|
|
2905.0000 -135.95735 -131.57428 4.38307 2.13571 -131.36236 587.65326
|
|
2910.0000 -135.31407 -131.06923 4.24484 2.13408 -131.38599 580.65578
|
|
2915.0000 -136.14145 -131.75358 4.38787 2.13963 -131.30569 603.14094
|
|
2920.0000 -135.41544 -131.04950 4.36594 2.15854 -131.03219 600.18046
|
|
2925.0000 -135.63847 -131.09272 4.54575 2.15010 -131.15426 613.10489
|
|
2930.0000 -135.03579 -130.38757 4.64822 2.15166 -131.13173 611.03975
|
|
2935.0000 -135.18229 -130.26675 4.91553 2.21353 -130.23692 668.68474
|
|
2940.0000 -134.53013 -129.88932 4.64081 2.21198 -130.25928 631.93264
|
|
2945.0000 -134.58263 -129.93993 4.64270 2.18961 -130.58292 625.13691
|
|
2950.0000 -134.60551 -128.91026 5.69525 2.25837 -129.58844 683.81829
|
|
2955.0000 -135.71411 -130.93919 4.77492 2.23590 -129.91341 677.21430
|
|
2960.0000 -133.84432 -129.51593 4.32839 2.22127 -130.12506 658.64208
|
|
2965.0000 -134.54144 -129.92962 4.61182 2.21456 -130.22211 638.08204
|
|
2970.0000 -135.68624 -131.71449 3.97176 2.18971 -130.58139 596.57038
|
|
2975.0000 -135.70656 -131.25570 4.45086 2.14139 -131.28025 582.77320
|
|
2980.0000 -136.24215 -132.38574 3.85641 2.10463 -131.81189 569.16665
|
|
2985.0000 -136.22574 -131.06198 5.16376 2.14029 -131.29612 611.17210
|
|
2990.0000 -135.38251 -132.00337 3.37914 2.15564 -131.07414 621.22347
|
|
2995.0000 -134.73141 -130.42263 4.30878 2.14881 -131.17293 575.86060
|
|
3000.0000 -134.46087 -130.10147 4.35939 2.19408 -130.51824 633.92339
|
|
MELTING PROCESS: loop number 13 T-loop= 641.00000000000000
|
|
main_MD> interactions number 13 at Temperature= 641.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.16404 -2.11061 1.11714
|
|
force_rgl> df(natom) -2.26148 -1.06697 -1.41932
|
|
3005.0000 -135.10779 -129.62110 5.48669 2.21274 -130.24832 643.31535
|
|
3010.0000 -134.78015 -130.26743 4.51273 2.19365 -130.52442 603.61566
|
|
3015.0000 -133.36188 -128.77605 4.58583 2.27271 -129.38103 695.12930
|
|
3020.0000 -135.14386 -130.58563 4.55823 2.26320 -129.51855 702.08901
|
|
3025.0000 -135.12221 -130.00688 5.11533 2.19767 -130.46629 647.79458
|
|
3030.0000 -135.06944 -130.96901 4.10042 2.16010 -131.00963 591.66935
|
|
3035.0000 -134.42379 -129.63086 4.79293 2.20609 -130.34447 658.96760
|
|
3040.0000 -134.64575 -130.17313 4.47262 2.25212 -129.67879 687.47112
|
|
3045.0000 -135.51625 -131.02076 4.49549 2.19221 -130.54522 624.69555
|
|
3050.0000 -134.84521 -130.95715 3.88806 2.12861 -131.46509 560.87145
|
|
3055.0000 -134.86624 -131.08518 3.78106 2.16894 -130.88187 624.66805
|
|
3060.0000 -135.81996 -130.87248 4.94748 2.16329 -130.96355 620.01643
|
|
3065.0000 -136.31269 -132.52485 3.78784 2.11379 -131.67938 584.37042
|
|
3070.0000 -135.77364 -131.78261 3.99103 2.09732 -131.91766 548.73463
|
|
3075.0000 -135.87820 -131.56529 4.31291 2.10425 -131.81745 594.78491
|
|
3080.0000 -134.25577 -129.45882 4.79694 2.18215 -130.69071 646.59976
|
|
3085.0000 -135.02032 -130.93078 4.08954 2.23127 -129.98042 657.67495
|
|
3090.0000 -134.36681 -130.13660 4.23022 2.21824 -130.16889 654.65795
|
|
3095.0000 -135.37994 -130.18232 5.19763 2.22001 -130.14325 647.87745
|
|
3100.0000 -135.00779 -130.20270 4.80509 2.24748 -129.74598 673.63260
|
|
3105.0000 -133.82133 -129.01769 4.80364 2.25217 -129.67814 689.37096
|
|
3110.0000 -133.90860 -128.84534 5.06326 2.28462 -129.20883 711.87679
|
|
3115.0000 -134.39311 -129.13555 5.25757 2.29584 -129.04652 732.36445
|
|
3120.0000 -134.56079 -129.77648 4.78431 2.25396 -129.65219 660.07916
|
|
3125.0000 -136.23226 -131.84393 4.38834 2.18014 -130.71991 627.52797
|
|
3130.0000 -134.00317 -129.78026 4.22291 2.20211 -130.40213 648.44327
|
|
3135.0000 -134.22653 -130.18617 4.04036 2.25645 -129.61616 680.04581
|
|
3140.0000 -135.55609 -130.75748 4.79861 2.20023 -130.42930 619.32474
|
|
3145.0000 -135.90698 -130.35719 5.54978 2.20969 -130.29252 623.81641
|
|
3150.0000 -134.40704 -129.67363 4.73340 2.24668 -129.75747 673.07005
|
|
3155.0000 -134.50114 -129.30140 5.19974 2.27185 -129.39355 672.56229
|
|
3160.0000 -134.82425 -129.09462 5.72964 2.32646 -128.60371 727.79505
|
|
3165.0000 -134.32125 -129.33044 4.99081 2.28818 -129.15732 697.76880
|
|
3170.0000 -134.68354 -129.80691 4.87663 2.25498 -129.63754 696.74908
|
|
3175.0000 -134.89041 -128.63181 6.25860 2.28321 -129.22919 699.99369
|
|
3180.0000 -135.44442 -130.09711 5.34731 2.25365 -129.65671 670.79809
|
|
3185.0000 -134.61500 -130.10673 4.50827 2.25109 -129.69370 670.17100
|
|
3190.0000 -135.19702 -130.21507 4.98195 2.20995 -130.28865 674.04551
|
|
3195.0000 -134.97843 -130.14737 4.83106 2.21262 -130.25015 664.61348
|
|
3200.0000 -135.58005 -130.50861 5.07144 2.22304 -130.09937 659.40991
|
|
3205.0000 -135.78096 -131.52585 4.25511 2.15763 -131.04534 598.31663
|
|
3210.0000 -134.63828 -130.80286 3.83542 2.17860 -130.74204 620.86863
|
|
3215.0000 -135.07498 -130.48363 4.59135 2.18293 -130.67944 625.98759
|
|
3220.0000 -135.11264 -130.40497 4.70767 2.14838 -131.17919 608.67215
|
|
3225.0000 -134.70761 -130.04238 4.66524 2.20452 -130.36729 638.53123
|
|
3230.0000 -135.44034 -130.88814 4.55221 2.20525 -130.35674 612.01946
|
|
3235.0000 -135.78932 -130.56951 5.21981 2.20747 -130.32465 618.85518
|
|
3240.0000 -135.01242 -130.58814 4.42428 2.20234 -130.39874 631.28458
|
|
3245.0000 -135.91706 -131.52304 4.39402 2.16225 -130.97863 622.78925
|
|
3250.0000 -134.94386 -130.79345 4.15041 2.13457 -131.37896 586.12529
|
|
MELTING PROCESS: loop number 14 T-loop= 666.00000000000000
|
|
main_MD> interactions number 14 at Temperature= 666.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.90852 0.82226 -3.00681
|
|
force_rgl> df(natom) 2.85855 -1.91364 -2.16800
|
|
3255.0000 -135.00130 -130.18296 4.81833 2.18038 -130.71643 618.58099
|
|
3260.0000 -135.26867 -131.58963 3.67904 2.16512 -130.93709 599.08554
|
|
3265.0000 -135.34683 -131.69771 3.64912 2.13130 -131.42624 596.09735
|
|
3270.0000 -135.78217 -131.29890 4.48327 2.15037 -131.15035 631.99964
|
|
3275.0000 -135.59746 -131.02900 4.56846 2.11522 -131.65881 588.52499
|
|
3280.0000 -135.08197 -131.50609 3.57588 2.17970 -130.72620 630.80171
|
|
3285.0000 -134.92054 -130.00567 4.91487 2.20348 -130.38231 632.61040
|
|
3290.0000 -135.28045 -131.09695 4.18351 2.18815 -130.60397 622.33087
|
|
3295.0000 -134.37605 -130.32711 4.04894 2.19703 -130.47561 649.18511
|
|
3300.0000 -133.81391 -128.57886 5.23505 2.25700 -129.60828 698.39071
|
|
3305.0000 -134.13567 -129.04069 5.09497 2.30028 -128.98237 713.70139
|
|
3310.0000 -133.82148 -128.95031 4.87117 2.28813 -129.15799 717.08169
|
|
3315.0000 -134.54754 -129.19665 5.35089 2.28991 -129.13232 684.76413
|
|
3320.0000 -134.15348 -128.59377 5.55971 2.27996 -129.27619 701.94369
|
|
3325.0000 -134.86223 -130.28617 4.57606 2.25338 -129.66057 689.99771
|
|
3330.0000 -135.39597 -130.50739 4.88858 2.19456 -130.51136 640.72204
|
|
3335.0000 -133.71996 -129.26704 4.45292 2.27180 -129.39421 688.93698
|
|
3340.0000 -134.31583 -129.49049 4.82534 2.27626 -129.32972 658.12874
|
|
3345.0000 -134.47217 -129.34988 5.12229 2.28237 -129.24142 690.81085
|
|
3350.0000 -134.65805 -129.61597 5.04207 2.25224 -129.67713 665.63482
|
|
3355.0000 -135.98049 -130.58069 5.39980 2.21911 -130.15621 668.08833
|
|
3360.0000 -135.20765 -130.32950 4.87816 2.18912 -130.59001 632.15957
|
|
3365.0000 -134.94758 -130.46348 4.48410 2.21044 -130.28166 666.40485
|
|
3370.0000 -134.53107 -130.59841 3.93266 2.17203 -130.83709 596.07094
|
|
3375.0000 -135.00607 -130.75307 4.25299 2.24481 -129.78455 673.19491
|
|
3380.0000 -133.94819 -129.07557 4.87262 2.21856 -130.16415 638.53742
|
|
3385.0000 -134.47911 -130.05942 4.41969 2.26953 -129.42707 681.97502
|
|
3390.0000 -134.49950 -130.47750 4.02200 2.22948 -130.00623 649.45844
|
|
3395.0000 -134.10873 -129.52258 4.58616 2.22892 -130.01439 662.81140
|
|
3400.0000 -133.14472 -128.73001 4.41471 2.27465 -129.35306 675.83463
|
|
3405.0000 -133.42891 -129.22127 4.20764 2.28655 -129.18092 708.38358
|
|
3410.0000 -133.65796 -129.17912 4.47884 2.26981 -129.42294 666.45230
|
|
3415.0000 -133.79271 -129.60492 4.18779 2.27590 -129.33489 683.50747
|
|
3420.0000 -135.45260 -130.88564 4.56696 2.17399 -130.80878 623.16678
|
|
3425.0000 -135.32827 -130.49152 4.83675 2.13356 -131.39357 594.00944
|
|
3430.0000 -135.34521 -130.34513 5.00008 2.17890 -130.73783 632.20613
|
|
3435.0000 -135.21246 -130.76307 4.44939 2.19219 -130.54551 654.35630
|
|
3440.0000 -134.32496 -129.03526 5.28970 2.21572 -130.20532 663.78620
|
|
3445.0000 -133.92817 -128.58878 5.33939 2.30540 -128.90822 703.18728
|
|
3450.0000 -134.29409 -129.46793 4.82616 2.31541 -128.76352 707.87927
|
|
3455.0000 -135.18913 -130.05000 5.13913 2.23523 -129.92314 630.39301
|
|
3460.0000 -134.39361 -129.22183 5.17178 2.22991 -129.99999 667.17268
|
|
3465.0000 -134.17703 -129.36065 4.81637 2.30506 -128.91323 705.83226
|
|
3470.0000 -133.70847 -128.93963 4.76884 2.30669 -128.88956 706.80407
|
|
3475.0000 -134.00988 -129.04661 4.96327 2.27447 -129.35559 671.72755
|
|
3480.0000 -134.84180 -129.73672 5.10508 2.24299 -129.81088 680.75118
|
|
3485.0000 -134.84512 -130.40773 4.43739 2.21284 -130.24691 655.25114
|
|
3490.0000 -134.74352 -130.44337 4.30015 2.21144 -130.26714 622.89905
|
|
3495.0000 -135.81905 -131.29412 4.52493 2.16797 -130.89586 609.15316
|
|
3500.0000 -134.77462 -129.84774 4.92688 2.18556 -130.64147 613.88061
|
|
MELTING PROCESS: loop number 15 T-loop= 691.00000000000000
|
|
main_MD> interactions number 15 at Temperature= 691.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.11004 0.66605 -0.23214
|
|
force_rgl> df(natom) 3.05262 -1.96566 0.23391
|
|
3505.0000 -134.97822 -129.81086 5.16736 2.22068 -130.13354 663.48993
|
|
3510.0000 -134.22016 -129.13020 5.08996 2.30408 -128.92731 715.34235
|
|
3515.0000 -134.33023 -128.22353 6.10670 2.36624 -128.02835 767.03004
|
|
3520.0000 -134.15970 -128.77709 5.38261 2.35651 -128.16903 767.28148
|
|
3525.0000 -134.71165 -128.67033 6.04132 2.30849 -128.86357 733.83320
|
|
3530.0000 -133.38937 -128.29856 5.09081 2.34478 -128.33875 757.61899
|
|
3535.0000 -133.20712 -128.53613 4.67099 2.33258 -128.51515 728.54046
|
|
3540.0000 -134.92624 -129.37042 5.55582 2.27635 -129.32834 712.18128
|
|
3545.0000 -134.24283 -129.44280 4.80003 2.25964 -129.57002 687.40128
|
|
3550.0000 -133.92677 -128.41797 5.50880 2.30451 -128.92110 682.11705
|
|
3555.0000 -133.28169 -128.42656 4.85513 2.35342 -128.21376 746.78025
|
|
3560.0000 -135.32455 -131.15357 4.17097 2.22525 -130.06751 671.62300
|
|
3565.0000 -132.71319 -127.59829 5.11490 2.21646 -130.19456 659.59699
|
|
3570.0000 -133.80730 -128.62681 5.18048 2.34228 -128.37487 743.06912
|
|
3575.0000 -134.44218 -128.13711 6.30507 2.34345 -128.35799 734.39696
|
|
3580.0000 -133.85138 -128.09292 5.75847 2.36737 -128.01197 766.67636
|
|
3585.0000 -135.22158 -130.35207 4.86952 2.29533 -129.05388 710.07755
|
|
3590.0000 -133.42147 -129.10336 4.31811 2.24440 -129.79043 667.36750
|
|
3595.0000 -134.58196 -129.73018 4.85178 2.23101 -129.98410 653.01411
|
|
3600.0000 -134.33319 -129.61902 4.71417 2.29165 -129.10720 702.38255
|
|
3605.0000 -133.32869 -127.78345 5.54524 2.30375 -128.93218 699.70418
|
|
3610.0000 -133.27273 -127.94083 5.33190 2.38087 -127.81683 756.18843
|
|
3615.0000 -133.73350 -128.67353 5.05997 2.37313 -127.92868 727.32211
|
|
3620.0000 -133.29233 -128.69245 4.59988 2.31002 -128.84149 688.14760
|
|
3625.0000 -134.12035 -129.32482 4.79553 2.32678 -128.59904 708.05040
|
|
3630.0000 -134.68723 -128.57965 6.10758 2.30000 -128.98632 694.21148
|
|
3635.0000 -134.39042 -129.62866 4.76176 2.30907 -128.85513 689.97486
|
|
3640.0000 -133.10683 -128.59461 4.51223 2.33417 -128.49212 724.57426
|
|
3645.0000 -133.88544 -128.06230 5.82314 2.36208 -128.08849 765.17464
|
|
3650.0000 -133.52478 -129.60394 3.92084 2.32604 -128.60972 746.47200
|
|
3655.0000 -135.40857 -130.85056 4.55802 2.23164 -129.97499 653.96432
|
|
3660.0000 -134.44458 -128.88910 5.55548 2.20500 -130.36028 643.38111
|
|
3665.0000 -135.35153 -130.53599 4.81554 2.23282 -129.95791 645.18174
|
|
3670.0000 -135.09181 -130.13403 4.95778 2.19432 -130.51479 623.14426
|
|
3675.0000 -135.33487 -130.04948 5.28540 2.22265 -130.10505 673.75660
|
|
3680.0000 -133.32741 -127.61884 5.70858 2.30334 -128.93814 712.99374
|
|
3685.0000 -133.19236 -128.77517 4.41719 2.33355 -128.50111 758.73216
|
|
3690.0000 -134.04704 -128.53259 5.51445 2.34420 -128.34712 736.31554
|
|
3695.0000 -134.21477 -130.22533 3.98944 2.24933 -129.71921 675.98362
|
|
3700.0000 -134.73276 -129.70766 5.02510 2.27353 -129.36924 719.46314
|
|
3705.0000 -135.36166 -130.23142 5.13023 2.24336 -129.80556 663.18820
|
|
3710.0000 -134.60782 -130.69293 3.91488 2.17960 -130.72769 626.52207
|
|
3715.0000 -134.83026 -129.80174 5.02852 2.19227 -130.54436 643.63383
|
|
3720.0000 -135.00335 -129.61200 5.39136 2.25747 -129.60150 707.55863
|
|
3725.0000 -132.90373 -128.45766 4.44607 2.33019 -128.54973 727.42422
|
|
3730.0000 -134.75009 -129.04654 5.70355 2.29112 -129.11481 704.59371
|
|
3735.0000 -134.50959 -129.98763 4.52196 2.23332 -129.95067 666.70849
|
|
3740.0000 -134.48097 -129.21794 5.26303 2.25970 -129.56924 669.33371
|
|
3745.0000 -134.39270 -129.89621 4.49649 2.26462 -129.49806 670.61978
|
|
3750.0000 -134.75845 -129.48362 5.27483 2.24489 -129.78333 679.98309
|
|
MELTING PROCESS: loop number 16 T-loop= 716.00000000000000
|
|
main_MD> interactions number 16 at Temperature= 716.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.50537 -1.34954 1.53494
|
|
force_rgl> df(natom) 0.80227 0.78855 -0.48955
|
|
3755.0000 -133.58019 -128.67806 4.90213 2.29516 -129.05632 708.81106
|
|
3760.0000 -134.92443 -129.16232 5.76211 2.36425 -128.05723 759.83328
|
|
3765.0000 -133.79937 -129.19943 4.59994 2.25049 -129.70241 688.81369
|
|
3770.0000 -135.43441 -130.07614 5.35827 2.25990 -129.56626 685.01454
|
|
3775.0000 -135.51603 -130.89968 4.61635 2.23233 -129.96499 644.11022
|
|
3780.0000 -134.91958 -129.71632 5.20327 2.24783 -129.74088 687.78467
|
|
3785.0000 -134.09078 -129.12393 4.96685 2.26515 -129.49040 691.59354
|
|
3790.0000 -134.39762 -129.44216 4.95546 2.29134 -129.11162 699.86565
|
|
3795.0000 -134.01757 -128.40169 5.61589 2.27994 -129.27653 708.14565
|
|
3800.0000 -134.38713 -129.60034 4.78679 2.27828 -129.30052 681.76499
|
|
3805.0000 -133.91999 -129.50806 4.41193 2.31010 -128.84025 725.57174
|
|
3810.0000 -134.27608 -130.11777 4.15831 2.24328 -129.80666 639.93865
|
|
3815.0000 -133.35658 -128.20451 5.15207 2.30114 -128.96992 703.00350
|
|
3820.0000 -134.12780 -128.09779 6.03001 2.32702 -128.59553 725.39345
|
|
3825.0000 -134.47967 -129.23486 5.24481 2.32066 -128.68751 711.60861
|
|
3830.0000 -133.86498 -128.12677 5.73821 2.29536 -129.05353 707.66105
|
|
3835.0000 -134.74535 -129.56945 5.17590 2.29954 -128.99307 727.99894
|
|
3840.0000 -135.18698 -130.00712 5.17987 2.25078 -129.69826 689.42533
|
|
3845.0000 -133.66075 -128.76606 4.89470 2.30476 -128.91760 703.11306
|
|
3850.0000 -134.32182 -130.20703 4.11479 2.27959 -129.28148 677.57010
|
|
3855.0000 -134.38699 -128.89278 5.49421 2.26770 -129.45349 669.87003
|
|
3860.0000 -134.01299 -129.16969 4.84330 2.28235 -129.24169 705.31914
|
|
3865.0000 -134.36147 -129.53285 4.82862 2.28468 -129.20798 687.58742
|
|
3870.0000 -134.15751 -129.05744 5.10007 2.28049 -129.26851 692.70271
|
|
3875.0000 -133.13599 -128.28679 4.84920 2.30252 -128.94990 707.82200
|
|
3880.0000 -133.89573 -129.93422 3.96151 2.25262 -129.67166 660.88919
|
|
3885.0000 -134.12085 -129.57224 4.54860 2.25989 -129.56644 682.02895
|
|
3890.0000 -134.02285 -127.73373 6.28912 2.29497 -129.05915 696.77757
|
|
3895.0000 -134.07138 -128.88537 5.18602 2.36325 -128.07168 759.57138
|
|
3900.0000 -133.52643 -128.34222 5.18420 2.34178 -128.38217 732.84654
|
|
3905.0000 -134.20243 -128.61426 5.58817 2.31318 -128.79582 725.92863
|
|
3910.0000 -134.59424 -128.82559 5.76866 2.32839 -128.57573 729.61400
|
|
3915.0000 -135.12170 -129.67048 5.45122 2.27426 -129.35868 699.28502
|
|
3920.0000 -133.96425 -129.39301 4.57125 2.28304 -129.23167 692.93848
|
|
3925.0000 -132.74214 -127.20388 5.53826 2.33558 -128.47181 757.89189
|
|
3930.0000 -132.55217 -127.43478 5.11739 2.42317 -127.20496 800.07165
|
|
3935.0000 -133.38183 -128.16629 5.21554 2.39145 -127.66385 790.04718
|
|
3940.0000 -133.36832 -129.28510 4.08322 2.34786 -128.29421 717.58524
|
|
3945.0000 -134.78409 -129.68099 5.10311 2.28701 -129.17426 704.63832
|
|
3950.0000 -133.62708 -128.71700 4.91008 2.31670 -128.74482 714.87291
|
|
3955.0000 -133.41484 -127.74326 5.67158 2.29949 -128.99378 693.10827
|
|
3960.0000 -133.63683 -128.65666 4.98017 2.30630 -128.89527 665.82759
|
|
3965.0000 -133.96894 -129.36225 4.60670 2.33002 -128.55216 700.00994
|
|
3970.0000 -133.57318 -128.73630 4.83688 2.28159 -129.25263 679.66734
|
|
3975.0000 -134.41121 -129.38672 5.02449 2.25793 -129.59477 688.02025
|
|
3980.0000 -134.52992 -127.70397 6.82595 2.31186 -128.81490 726.95837
|
|
3985.0000 -133.23588 -127.80906 5.42681 2.36274 -128.07894 777.31445
|
|
3990.0000 -133.25644 -127.18635 6.07009 2.37642 -127.88114 748.32285
|
|
3995.0000 -133.23668 -127.15379 6.08289 2.39629 -127.59385 785.70166
|
|
4000.0000 -133.37076 -128.30614 5.06462 2.37849 -127.85127 774.86817
|
|
MELTING PROCESS: loop number 17 T-loop= 741.00000000000000
|
|
main_MD> interactions number 17 at Temperature= 741.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.81498 -0.06566 1.54815
|
|
force_rgl> df(natom) 1.03237 -3.18565 1.34791
|
|
4005.0000 -133.62010 -129.12861 4.49149 2.34285 -128.36662 746.62156
|
|
4010.0000 -133.63675 -128.89662 4.74013 2.29263 -129.09293 700.58728
|
|
4015.0000 -132.96843 -128.48824 4.48019 2.43499 -127.03404 836.91810
|
|
4020.0000 -132.82661 -127.14734 5.67927 2.35771 -128.15178 755.75899
|
|
4025.0000 -133.38936 -127.47774 5.91163 2.43660 -127.01083 832.64789
|
|
4030.0000 -133.78549 -128.14478 5.64070 2.36530 -128.04203 774.90204
|
|
4035.0000 -133.40005 -128.22539 5.17466 2.31042 -128.83569 725.29868
|
|
4040.0000 -132.51135 -126.68703 5.82432 2.42497 -127.17899 817.18957
|
|
4045.0000 -133.49976 -127.05294 6.44682 2.41325 -127.34850 794.79917
|
|
4050.0000 -134.56031 -128.97079 5.58952 2.37892 -127.84495 787.33256
|
|
4055.0000 -133.00440 -127.09398 5.91042 2.37723 -127.86946 798.88408
|
|
4060.0000 -132.34552 -127.44237 4.90315 2.38834 -127.70871 770.80892
|
|
4065.0000 -134.67027 -129.90120 4.76908 2.31883 -128.71409 741.95348
|
|
4070.0000 -134.44438 -129.46100 4.98338 2.26221 -129.53290 681.39263
|
|
4075.0000 -133.93499 -128.95300 4.98198 2.22398 -130.08587 632.51551
|
|
4080.0000 -134.07088 -127.72230 6.34859 2.32180 -128.67114 764.13073
|
|
4085.0000 -133.45798 -127.67064 5.78734 2.35878 -128.13625 757.50329
|
|
4090.0000 -133.39557 -127.93296 5.46262 2.40523 -127.46447 807.28009
|
|
4095.0000 -132.74668 -126.54350 6.20318 2.43145 -127.08530 797.08218
|
|
4100.0000 -133.28352 -127.29062 5.99290 2.49104 -126.22348 855.16389
|
|
4105.0000 -134.04482 -128.10587 5.93896 2.35921 -128.12999 753.12911
|
|
4110.0000 -134.85956 -129.71346 5.14611 2.30771 -128.87488 730.45192
|
|
4115.0000 -133.24574 -128.64157 4.60417 2.28123 -129.25790 717.19398
|
|
4120.0000 -133.51605 -128.68214 4.83390 2.29469 -129.06323 702.59751
|
|
4125.0000 -133.58888 -128.92460 4.66428 2.31044 -128.83537 715.96573
|
|
4130.0000 -132.50155 -126.52522 5.97633 2.39658 -127.58963 797.08430
|
|
4135.0000 -133.63103 -128.65800 4.97304 2.43978 -126.96485 806.57243
|
|
4140.0000 -134.31324 -129.97347 4.33977 2.28494 -129.20417 690.61914
|
|
4145.0000 -133.89390 -129.36635 4.52756 2.22177 -130.11771 639.17104
|
|
4150.0000 -132.94292 -128.26610 4.67683 2.31210 -128.81135 744.17767
|
|
4155.0000 -132.72438 -127.90230 4.82208 2.38040 -127.82352 757.75336
|
|
4160.0000 -133.85967 -128.63294 5.22673 2.32311 -128.65219 720.72260
|
|
4165.0000 -133.20040 -127.14084 6.05955 2.34676 -128.31015 765.51239
|
|
4170.0000 -133.61257 -127.73745 5.87512 2.36998 -127.97427 744.39155
|
|
4175.0000 -132.85049 -126.75190 6.09859 2.39978 -127.54331 785.83159
|
|
4180.0000 -132.50039 -127.74841 4.75198 2.43175 -127.08094 808.18441
|
|
4185.0000 -134.15409 -128.98759 5.16650 2.34169 -128.38339 706.49679
|
|
4190.0000 -133.82244 -128.33677 5.48567 2.32460 -128.63065 710.26696
|
|
4195.0000 -133.99412 -127.77094 6.22318 2.38344 -127.77959 764.71075
|
|
4200.0000 -133.74530 -128.36003 5.38527 2.35423 -128.20214 763.64609
|
|
4205.0000 -133.98367 -128.37490 5.60877 2.34470 -128.33994 734.79229
|
|
4210.0000 -133.72941 -127.76329 5.96612 2.38683 -127.73053 782.49784
|
|
4215.0000 -133.01091 -128.26033 4.75058 2.36964 -127.97923 783.98462
|
|
4220.0000 -133.15074 -127.65418 5.49656 2.43646 -127.01287 793.13602
|
|
4225.0000 -133.70919 -128.38979 5.31940 2.33967 -128.41268 744.00911
|
|
4230.0000 -131.85058 -127.22610 4.62448 2.38374 -127.77530 744.36999
|
|
4235.0000 -132.82652 -126.93428 5.89225 2.40189 -127.51280 780.59263
|
|
4240.0000 -134.21482 -128.84829 5.36652 2.34705 -128.30596 738.65736
|
|
4245.0000 -134.77688 -129.17732 5.59956 2.25833 -129.58902 669.51396
|
|
4250.0000 -134.11687 -130.29645 3.82043 2.22190 -130.11586 653.78784
|
|
MELTING PROCESS: loop number 18 T-loop= 766.00000000000000
|
|
main_MD> interactions number 18 at Temperature= 766.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.24755 -1.46096 -2.92691
|
|
force_rgl> df(natom) -3.48047 -6.71206 -3.42846
|
|
4255.0000 -134.74215 -129.44282 5.29932 2.27532 -129.34331 698.22686
|
|
4260.0000 -134.26197 -128.62750 5.63447 2.33952 -128.41474 748.42443
|
|
4265.0000 -133.50361 -128.09702 5.40659 2.35732 -128.15735 745.90108
|
|
4270.0000 -131.57491 -126.17093 5.40398 2.44096 -126.94770 820.38642
|
|
4275.0000 -131.82170 -126.45559 5.36611 2.48226 -126.35046 848.86311
|
|
4280.0000 -133.22392 -127.16065 6.06327 2.45419 -126.75634 784.86511
|
|
4285.0000 -134.53240 -128.41660 6.11580 2.38141 -127.80895 745.20102
|
|
4290.0000 -134.75675 -129.49520 5.26155 2.28512 -129.20151 692.87069
|
|
4295.0000 -133.59037 -129.28883 4.30154 2.30786 -128.87273 710.67750
|
|
4300.0000 -133.90839 -129.46604 4.44235 2.25825 -129.59020 697.88626
|
|
4305.0000 -133.33802 -128.89503 4.44299 2.27336 -129.37164 686.31023
|
|
4310.0000 -133.73740 -128.33543 5.40197 2.33332 -128.50448 729.92410
|
|
4315.0000 -133.41929 -127.77218 5.64711 2.41132 -127.37642 801.74565
|
|
4320.0000 -133.39564 -127.98410 5.41154 2.37000 -127.97403 766.25614
|
|
4325.0000 -133.42011 -126.37511 7.04499 2.40159 -127.51714 777.98445
|
|
4330.0000 -132.86336 -127.83986 5.02350 2.42078 -127.23954 778.50683
|
|
4335.0000 -131.91623 -126.24312 5.67310 2.44885 -126.83367 766.99742
|
|
4340.0000 -132.40046 -127.44676 4.95370 2.45564 -126.73542 803.36487
|
|
4345.0000 -133.70807 -128.95692 4.75114 2.32802 -128.58108 738.68982
|
|
4350.0000 -133.83420 -128.88418 4.95003 2.34053 -128.40021 739.48325
|
|
4355.0000 -133.11059 -126.92762 6.18297 2.36155 -128.09614 735.63303
|
|
4360.0000 -134.46487 -127.88330 6.58157 2.36486 -128.04828 751.68563
|
|
4365.0000 -134.46029 -128.89685 5.56344 2.32003 -128.69669 748.02232
|
|
4370.0000 -133.98993 -128.42437 5.56556 2.34266 -128.36934 757.44263
|
|
4375.0000 -133.70273 -128.11540 5.58733 2.37819 -127.85551 795.72233
|
|
4380.0000 -132.75129 -127.79646 4.95483 2.39552 -127.60489 780.25035
|
|
4385.0000 -133.73188 -127.75954 5.97234 2.35869 -128.13751 757.87031
|
|
4390.0000 -133.85192 -128.32358 5.52834 2.33798 -128.43707 728.31565
|
|
4395.0000 -133.28809 -128.81759 4.47050 2.32711 -128.59430 729.18497
|
|
4400.0000 -133.23700 -128.84415 4.39284 2.29502 -129.05833 717.02240
|
|
4405.0000 -133.67130 -127.40276 6.26855 2.32566 -128.61529 735.51000
|
|
4410.0000 -133.35964 -127.89017 5.46946 2.38432 -127.76693 766.04799
|
|
4415.0000 -133.58150 -128.21991 5.36159 2.34618 -128.31844 726.89793
|
|
4420.0000 -133.30890 -128.48813 4.82077 2.30483 -128.91645 704.28440
|
|
4425.0000 -133.90403 -127.68330 6.22073 2.34187 -128.38080 725.93928
|
|
4430.0000 -133.19147 -126.69530 6.49617 2.45681 -126.71848 816.57637
|
|
4435.0000 -132.49753 -126.26681 6.23073 2.46752 -126.56356 809.86607
|
|
4440.0000 -133.37528 -127.12196 6.25332 2.43263 -127.06820 795.59235
|
|
4445.0000 -133.30780 -128.49081 4.81699 2.38268 -127.79066 763.71343
|
|
4450.0000 -133.47989 -128.59593 4.88396 2.26045 -129.55842 668.23281
|
|
4455.0000 -132.36719 -125.97868 6.38851 2.35268 -128.22448 727.13457
|
|
4460.0000 -133.48993 -126.61173 6.87821 2.48893 -126.25394 843.20886
|
|
4465.0000 -131.64079 -126.44617 5.19461 2.40882 -127.41263 774.67977
|
|
4470.0000 -133.65785 -127.40002 6.25783 2.41303 -127.35173 794.70593
|
|
4475.0000 -133.44051 -128.22061 5.21990 2.38724 -127.72469 753.03649
|
|
4480.0000 -133.34123 -128.78363 4.55759 2.33163 -128.52897 700.54379
|
|
4485.0000 -132.36360 -127.19205 5.17155 2.41728 -127.29015 754.10444
|
|
4490.0000 -133.32966 -128.06015 5.26951 2.41006 -127.39457 782.71895
|
|
4495.0000 -132.89454 -126.79861 6.09593 2.39332 -127.63676 790.31799
|
|
4500.0000 -133.50994 -127.40433 6.10561 2.43950 -126.96888 782.86354
|
|
MELTING PROCESS: loop number 19 T-loop= 791.00000000000000
|
|
main_MD> interactions number 19 at Temperature= 791.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.00411 2.88517 -2.41152
|
|
force_rgl> df(natom) -1.42757 0.34220 2.47557
|
|
4505.0000 -134.12133 -128.47821 5.64312 2.35067 -128.25361 750.46765
|
|
4510.0000 -133.28403 -127.40997 5.87406 2.37803 -127.85783 790.66488
|
|
4515.0000 -132.22140 -127.14772 5.07367 2.40733 -127.43412 769.24256
|
|
4520.0000 -133.24216 -127.45141 5.79075 2.44885 -126.83370 812.01424
|
|
4525.0000 -133.23362 -128.04781 5.18581 2.38526 -127.75330 761.01600
|
|
4530.0000 -133.44789 -128.75920 4.68869 2.37739 -127.86708 757.96249
|
|
4535.0000 -133.36394 -127.71800 5.64594 2.35079 -128.25188 735.53182
|
|
4540.0000 -133.13112 -127.63032 5.50080 2.36281 -128.07804 752.63353
|
|
4545.0000 -132.75024 -127.40283 5.34740 2.42667 -127.15439 805.95072
|
|
4550.0000 -133.07339 -127.34729 5.72610 2.36861 -127.99412 770.95380
|
|
4555.0000 -133.05240 -127.41323 5.63917 2.43795 -126.99133 818.96120
|
|
4560.0000 -133.56445 -127.53255 6.03191 2.36302 -128.07496 770.32164
|
|
4565.0000 -133.79411 -127.43425 6.35986 2.40669 -127.44338 812.95072
|
|
4570.0000 -131.47990 -126.52696 4.95294 2.43510 -127.03253 812.83550
|
|
4575.0000 -132.82718 -128.15782 4.66936 2.41057 -127.38725 757.26624
|
|
4580.0000 -132.18249 -126.26980 5.91269 2.42886 -127.12271 801.76558
|
|
4585.0000 -131.99628 -126.36872 5.62756 2.48725 -126.27832 854.26172
|
|
4590.0000 -133.07457 -126.31537 6.75920 2.47360 -126.47569 838.21424
|
|
4595.0000 -132.98028 -127.76317 5.21711 2.40962 -127.40094 791.20034
|
|
4600.0000 -133.40277 -127.98995 5.41281 2.38266 -127.79096 776.64539
|
|
4605.0000 -132.63798 -126.39156 6.24641 2.41260 -127.35789 769.12924
|
|
4610.0000 -130.23420 -123.43303 6.80117 2.56540 -125.14800 878.15447
|
|
4615.0000 -130.31823 -124.52193 5.79630 2.66302 -123.73617 953.52208
|
|
4620.0000 -130.80676 -125.24295 5.56381 2.57448 -125.01665 871.77159
|
|
4625.0000 -132.81490 -126.14310 6.67181 2.52752 -125.69585 884.59100
|
|
4630.0000 -132.28073 -127.43021 4.85053 2.41268 -127.35677 786.53535
|
|
4635.0000 -133.06776 -127.55449 5.51327 2.40339 -127.49106 777.69483
|
|
4640.0000 -132.04529 -125.93783 6.10746 2.41521 -127.32020 777.74842
|
|
4645.0000 -133.71179 -127.97843 5.73336 2.45957 -126.67858 831.38550
|
|
4650.0000 -132.91582 -128.18625 4.72957 2.38684 -127.73043 769.28138
|
|
4655.0000 -132.37709 -126.50542 5.87167 2.42196 -127.22255 818.99192
|
|
4660.0000 -132.57247 -126.26902 6.30345 2.49111 -126.22241 867.37650
|
|
4665.0000 -132.52052 -127.81820 4.70231 2.44686 -126.86236 805.30889
|
|
4670.0000 -133.45192 -127.84052 5.61141 2.37926 -127.84013 779.77574
|
|
4675.0000 -132.61106 -127.46868 5.14238 2.37441 -127.91022 767.63776
|
|
4680.0000 -131.97493 -127.10683 4.86810 2.39246 -127.64916 776.38333
|
|
4685.0000 -133.01102 -127.64211 5.36891 2.41389 -127.33923 785.60053
|
|
4690.0000 -132.02453 -126.57648 5.44805 2.39877 -127.55791 782.07646
|
|
4695.0000 -132.56237 -127.67475 4.88762 2.43591 -127.02073 817.88950
|
|
4700.0000 -133.49441 -128.44667 5.04774 2.38464 -127.76221 760.58972
|
|
4705.0000 -133.59025 -127.19570 6.39455 2.36419 -128.05798 778.80962
|
|
4710.0000 -132.22787 -127.30176 4.92611 2.41135 -127.37600 780.01269
|
|
4715.0000 -132.52582 -126.12634 6.39948 2.46646 -126.57901 800.83342
|
|
4720.0000 -132.56969 -126.70423 5.86546 2.46973 -126.53171 837.97400
|
|
4725.0000 -132.87428 -127.51652 5.35776 2.41352 -127.34462 785.25000
|
|
4730.0000 -133.38334 -127.33961 6.04373 2.40065 -127.53073 792.07753
|
|
4735.0000 -133.83694 -128.94525 4.89169 2.36526 -128.04260 771.29369
|
|
4740.0000 -132.40342 -127.23977 5.16365 2.31706 -128.73967 701.41666
|
|
4745.0000 -132.58122 -126.71155 5.86968 2.41485 -127.32540 763.66452
|
|
4750.0000 -132.12755 -126.84685 5.28070 2.41148 -127.37411 803.09390
|
|
MELTING PROCESS: loop number 20 T-loop= 816.00000000000000
|
|
main_MD> interactions number 20 at Temperature= 816.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.85882 2.11471 -3.67611
|
|
force_rgl> df(natom) 0.61464 -1.78436 -1.85868
|
|
4755.0000 -131.77328 -126.41549 5.35779 2.47960 -126.38890 823.17622
|
|
4760.0000 -133.59434 -127.19696 6.39738 2.44920 -126.82855 819.52544
|
|
4765.0000 -133.36650 -128.26662 5.09989 2.38788 -127.71546 777.27135
|
|
4770.0000 -132.10506 -127.27835 4.82671 2.36926 -127.98477 748.36585
|
|
4775.0000 -133.06254 -127.29265 5.76989 2.38438 -127.76602 783.99775
|
|
4780.0000 -131.13183 -125.65193 5.47990 2.46559 -126.59152 840.19026
|
|
4785.0000 -130.29246 -125.21111 5.08134 2.50579 -126.01008 850.92000
|
|
4790.0000 -131.80775 -125.28832 6.51943 2.55686 -125.27149 886.72531
|
|
4795.0000 -132.29170 -127.74972 4.54198 2.43111 -127.09021 770.37036
|
|
4800.0000 -132.48831 -127.68549 4.80281 2.44166 -126.93766 757.52532
|
|
4805.0000 -131.52769 -126.34405 5.18364 2.43316 -127.06051 791.40974
|
|
4810.0000 -132.51369 -126.35470 6.15899 2.41923 -127.26207 786.67178
|
|
4815.0000 -132.05014 -127.10080 4.94934 2.47703 -126.42601 863.10605
|
|
4820.0000 -133.17651 -127.78602 5.39049 2.37599 -127.88742 743.82290
|
|
4825.0000 -133.48774 -127.87156 5.61618 2.38074 -127.81864 782.84797
|
|
4830.0000 -133.34713 -128.14740 5.19973 2.37212 -127.94334 750.55806
|
|
4835.0000 -133.69874 -128.37373 5.32500 2.38075 -127.81859 806.25484
|
|
4840.0000 -132.90599 -127.97517 4.93082 2.33780 -128.43966 736.11331
|
|
4845.0000 -133.26126 -127.57411 5.68715 2.41511 -127.32154 797.52383
|
|
4850.0000 -134.31442 -129.16641 5.14801 2.32135 -128.67762 729.72252
|
|
4855.0000 -132.78563 -127.95859 4.82705 2.34260 -128.37021 743.18813
|
|
4860.0000 -133.72310 -128.12836 5.59474 2.35238 -128.22889 754.64451
|
|
4865.0000 -133.76791 -128.58224 5.18567 2.35495 -128.19164 716.15604
|
|
4870.0000 -132.73468 -127.58432 5.15036 2.36670 -128.02175 772.50475
|
|
4875.0000 -132.15718 -126.02177 6.13541 2.42802 -127.13490 802.74186
|
|
4880.0000 -131.75415 -125.71730 6.03685 2.48274 -126.34345 846.83264
|
|
4885.0000 -132.98496 -126.92084 6.06412 2.46459 -126.60601 825.32647
|
|
4890.0000 -131.85042 -124.57785 7.27258 2.52639 -125.71215 874.07525
|
|
4895.0000 -132.67706 -126.23318 6.44388 2.54091 -125.50223 866.00057
|
|
4900.0000 -131.89400 -125.80286 6.09114 2.50883 -125.96622 851.68260
|
|
4905.0000 -133.00527 -125.94544 7.05983 2.51135 -125.92975 877.42370
|
|
4910.0000 -132.18455 -126.34759 5.83696 2.53165 -125.63619 890.28288
|
|
4915.0000 -133.27492 -126.98511 6.28981 2.44680 -126.86335 832.42003
|
|
4920.0000 -132.49955 -127.26108 5.23847 2.45466 -126.74961 835.76865
|
|
4925.0000 -132.34929 -126.65175 5.69754 2.44505 -126.88854 799.17416
|
|
4930.0000 -131.78101 -124.60790 7.17311 2.53774 -125.54812 864.35191
|
|
4935.0000 -131.67008 -126.01392 5.65616 2.54736 -125.40890 867.53246
|
|
4940.0000 -132.04806 -126.15456 5.89350 2.46039 -126.66667 870.78918
|
|
4945.0000 -132.44693 -126.35729 6.08964 2.45939 -126.68121 858.92989
|
|
4950.0000 -133.38251 -127.49347 5.88903 2.45975 -126.67597 850.40805
|
|
4955.0000 -132.74115 -127.14374 5.59742 2.43953 -126.96846 810.60334
|
|
4960.0000 -134.03670 -128.66907 5.36763 2.37667 -127.87748 798.26988
|
|
4965.0000 -133.00377 -126.54633 6.45744 2.35765 -128.15261 786.23207
|
|
4970.0000 -131.79278 -125.00698 6.78581 2.52746 -125.69675 871.44359
|
|
4975.0000 -132.42253 -127.21289 5.20963 2.51184 -125.92258 837.50993
|
|
4980.0000 -133.41720 -128.29575 5.12145 2.38118 -127.81226 738.36124
|
|
4985.0000 -133.55748 -128.04074 5.51674 2.42378 -127.19621 799.75791
|
|
4990.0000 -133.11255 -127.64902 5.46353 2.36956 -127.98042 754.95232
|
|
4995.0000 -132.73668 -126.62429 6.11239 2.42938 -127.11519 800.57479
|
|
5000.0000 -132.75073 -127.22929 5.52144 2.42681 -127.15238 811.24456
|
|
MELTING PROCESS: loop number 21 T-loop= 841.00000000000000
|
|
main_MD> interactions number 21 at Temperature= 841.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 6.56929 -1.48806 2.23159
|
|
force_rgl> df(natom) -2.10723 -0.04190 4.49904
|
|
5005.0000 -132.71835 -126.22314 6.49521 2.43556 -127.02587 787.53374
|
|
5010.0000 -131.72113 -125.97723 5.74391 2.52688 -125.70510 852.24246
|
|
5015.0000 -132.82352 -128.07196 4.75156 2.43661 -127.01067 789.11652
|
|
5020.0000 -132.38006 -126.93207 5.44799 2.44475 -126.89294 803.31034
|
|
5025.0000 -132.49222 -125.51741 6.97481 2.46423 -126.61118 818.99147
|
|
5030.0000 -131.07389 -124.48646 6.58743 2.55277 -125.33073 865.03752
|
|
5035.0000 -130.81821 -124.67079 6.14743 2.63150 -124.19212 928.52013
|
|
5040.0000 -132.03050 -125.39648 6.63402 2.55623 -125.28064 875.99756
|
|
5045.0000 -130.62003 -124.91001 5.71002 2.57432 -125.01897 882.14044
|
|
5050.0000 -130.45677 -122.98431 7.47247 2.62644 -124.26530 909.54656
|
|
5055.0000 -130.68182 -124.50585 6.17596 2.64174 -124.04397 945.67804
|
|
5060.0000 -132.90825 -126.41776 6.49049 2.51678 -125.85113 877.42594
|
|
5065.0000 -132.87372 -127.40373 5.46999 2.43240 -127.07153 802.41830
|
|
5070.0000 -132.54775 -125.28035 7.26740 2.42842 -127.12908 819.38403
|
|
5075.0000 -132.55454 -125.99975 6.55479 2.54327 -125.46805 877.07452
|
|
5080.0000 -131.04586 -124.95069 6.09517 2.50542 -126.01554 852.23364
|
|
5085.0000 -133.35805 -127.27169 6.08636 2.47654 -126.43323 849.51665
|
|
5090.0000 -131.82796 -125.96977 5.85819 2.44045 -126.95517 810.64577
|
|
5095.0000 -131.74535 -126.73235 5.01300 2.43062 -127.09730 798.88545
|
|
5100.0000 -131.31851 -124.94169 6.37682 2.51381 -125.89409 872.22994
|
|
5105.0000 -131.41881 -124.71310 6.70572 2.58310 -124.89212 908.24547
|
|
5110.0000 -132.21100 -125.88590 6.32510 2.52609 -125.71649 850.99975
|
|
5115.0000 -131.90135 -124.96379 6.93756 2.55549 -125.29132 888.49309
|
|
5120.0000 -132.19448 -126.85823 5.33625 2.52375 -125.75047 861.99468
|
|
5125.0000 -131.67198 -126.35599 5.31599 2.48060 -126.37439 827.45490
|
|
5130.0000 -131.89814 -125.82396 6.07418 2.55261 -125.33296 882.94451
|
|
5135.0000 -129.30690 -123.03603 6.27088 2.60272 -124.60827 901.34309
|
|
5140.0000 -129.94230 -123.27709 6.66520 2.74098 -122.60869 1017.38504
|
|
5145.0000 -130.52302 -123.06247 7.46055 2.65480 -123.85513 958.45862
|
|
5150.0000 -128.99727 -122.85488 6.14239 2.69578 -123.26245 975.46744
|
|
5155.0000 -131.69012 -123.68022 8.00990 2.72249 -122.87614 990.85114
|
|
5160.0000 -130.72805 -124.89488 5.83317 2.59563 -124.71090 882.19228
|
|
5165.0000 -131.65098 -125.86925 5.78173 2.52529 -125.72815 888.37863
|
|
5170.0000 -132.27654 -126.87166 5.40488 2.44731 -126.85594 801.57473
|
|
5175.0000 -132.65446 -125.29535 7.35911 2.45403 -126.75878 812.55364
|
|
5180.0000 -132.33571 -125.96388 6.37184 2.53568 -125.57781 887.28651
|
|
5185.0000 -132.93964 -126.68835 6.25129 2.50823 -125.97488 862.62908
|
|
5190.0000 -133.27587 -127.57926 5.69661 2.45885 -126.68901 827.79526
|
|
5195.0000 -133.05305 -127.40161 5.65144 2.44596 -126.87545 822.86580
|
|
5200.0000 -132.21958 -125.96590 6.25368 2.44075 -126.95085 846.77212
|
|
5205.0000 -133.41815 -127.91558 5.50257 2.45838 -126.69581 856.38410
|
|
5210.0000 -133.21177 -125.82132 7.39045 2.42869 -127.12514 826.54493
|
|
5215.0000 -131.42481 -126.71664 4.70817 2.47297 -126.48487 790.66837
|
|
5220.0000 -131.42946 -125.71549 5.71397 2.51810 -125.83214 856.91173
|
|
5225.0000 -133.51367 -126.98283 6.53085 2.49493 -126.16716 871.12108
|
|
5230.0000 -132.57900 -127.19130 5.38770 2.40576 -127.45681 813.14500
|
|
5235.0000 -133.21981 -127.79382 5.42599 2.36849 -127.99577 788.04485
|
|
5240.0000 -131.98599 -126.18589 5.80010 2.47400 -126.46986 818.57435
|
|
5245.0000 -131.26269 -125.48793 5.77476 2.50755 -125.98471 859.08130
|
|
5250.0000 -132.09769 -126.50578 5.59191 2.55300 -125.32742 886.60543
|
|
MELTING PROCESS: loop number 22 T-loop= 866.00000000000000
|
|
main_MD> interactions number 22 at Temperature= 866.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.40676 -0.28860 -1.17581
|
|
force_rgl> df(natom) 3.60115 0.08069 -0.26972
|
|
5255.0000 -131.71743 -124.71564 7.00180 2.52981 -125.66270 904.34139
|
|
5260.0000 -132.27985 -125.21366 7.06619 2.54829 -125.39549 891.74418
|
|
5265.0000 -132.21465 -126.72480 5.48985 2.49395 -126.18139 870.18396
|
|
5270.0000 -132.77082 -126.30256 6.46826 2.47212 -126.49706 847.67900
|
|
5275.0000 -132.16138 -125.91192 6.24946 2.49538 -126.16074 860.75029
|
|
5280.0000 -132.28151 -126.46779 5.81371 2.48268 -126.34439 868.37552
|
|
5285.0000 -132.85055 -126.20727 6.64328 2.46977 -126.53108 843.97772
|
|
5290.0000 -132.06155 -126.13403 5.92751 2.48659 -126.28785 828.12414
|
|
5295.0000 -132.71585 -126.29192 6.42393 2.47248 -126.49192 831.42644
|
|
5300.0000 -131.01858 -125.28691 5.73168 2.50153 -126.07170 871.73662
|
|
5305.0000 -130.94675 -125.40801 5.53874 2.53119 -125.64280 862.07233
|
|
5310.0000 -132.00038 -126.60571 5.39466 2.51741 -125.84203 852.98590
|
|
5315.0000 -132.53793 -126.52325 6.01468 2.49373 -126.18462 866.33815
|
|
5320.0000 -131.36716 -125.28967 6.07749 2.59022 -124.78901 919.10411
|
|
5325.0000 -132.13104 -125.92731 6.20373 2.50885 -125.96584 837.29437
|
|
5330.0000 -130.86779 -124.78527 6.08252 2.51729 -125.84387 834.68929
|
|
5335.0000 -131.55806 -125.38593 6.17212 2.57005 -125.08083 896.35352
|
|
5340.0000 -131.97423 -126.01582 5.95840 2.52043 -125.79842 857.60607
|
|
5345.0000 -133.45474 -127.15349 6.30125 2.46844 -126.55026 812.93306
|
|
5350.0000 -131.99347 -127.49690 4.49657 2.38327 -127.78215 754.65868
|
|
5355.0000 -131.86335 -127.04819 4.81516 2.42532 -127.17391 797.53678
|
|
5360.0000 -131.21195 -125.86482 5.34713 2.48486 -126.31284 830.37692
|
|
5365.0000 -131.89535 -125.48016 6.41519 2.52248 -125.76870 863.37971
|
|
5370.0000 -131.89554 -124.56045 7.33509 2.57281 -125.04093 906.23986
|
|
5375.0000 -131.32940 -124.52971 6.79969 2.59849 -124.66943 931.97897
|
|
5380.0000 -130.55967 -124.60765 5.95203 2.60926 -124.51370 949.98479
|
|
5385.0000 -132.35003 -125.45504 6.89499 2.55395 -125.31366 892.65642
|
|
5390.0000 -132.14327 -125.27953 6.86374 2.56413 -125.16639 883.22723
|
|
5395.0000 -133.63747 -127.04349 6.59398 2.53210 -125.62962 882.34551
|
|
5400.0000 -131.82851 -126.45484 5.37367 2.48590 -126.29775 876.92068
|
|
5405.0000 -131.56291 -126.12312 5.43978 2.47288 -126.48607 821.36119
|
|
5410.0000 -131.72978 -125.66563 6.06415 2.55311 -125.32583 909.09221
|
|
5415.0000 -131.26972 -125.30788 5.96184 2.52419 -125.74399 898.73980
|
|
5420.0000 -131.34756 -126.24217 5.10540 2.49139 -126.21846 872.69557
|
|
5425.0000 -130.61584 -124.35707 6.25877 2.53806 -125.54342 884.43168
|
|
5430.0000 -132.16170 -126.18444 5.97726 2.55036 -125.36561 873.60906
|
|
5435.0000 -131.66927 -124.44989 7.21939 2.54376 -125.46105 888.31183
|
|
5440.0000 -131.04383 -122.87712 8.16671 2.62594 -124.27253 969.21869
|
|
5445.0000 -132.35333 -124.84441 7.50892 2.66851 -123.65685 958.10452
|
|
5450.0000 -132.02366 -125.63700 6.38666 2.55616 -125.28171 894.56792
|
|
5455.0000 -132.28674 -126.67281 5.61392 2.46477 -126.60340 822.98748
|
|
5460.0000 -131.78413 -125.48721 6.29692 2.52697 -125.70383 884.07619
|
|
5465.0000 -131.26444 -125.39164 5.87279 2.53799 -125.54450 845.80237
|
|
5470.0000 -132.52747 -126.44127 6.08620 2.53001 -125.65982 862.99961
|
|
5475.0000 -132.61737 -126.72738 5.88999 2.48571 -126.30061 858.40924
|
|
5480.0000 -133.14786 -127.17510 5.97276 2.49860 -126.11416 861.53793
|
|
5485.0000 -131.97812 -126.62367 5.35445 2.49271 -126.19926 875.94503
|
|
5490.0000 -133.68651 -128.28683 5.39968 2.44546 -126.88265 805.32413
|
|
5495.0000 -132.50993 -126.06164 6.44829 2.38699 -127.72822 795.11719
|
|
5500.0000 -133.41339 -128.83527 4.57811 2.41779 -127.28286 773.36892
|
|
MELTING PROCESS: loop number 23 T-loop= 891.00000000000000
|
|
main_MD> interactions number 23 at Temperature= 891.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.31184 2.28354 0.06160
|
|
force_rgl> df(natom) 0.03955 -1.39437 -0.13902
|
|
5505.0000 -131.98923 -126.77596 5.21326 2.35807 -128.14656 715.06264
|
|
5510.0000 -132.05008 -126.21799 5.83209 2.50458 -126.02760 877.90025
|
|
5515.0000 -131.28283 -124.18156 7.10127 2.58726 -124.83186 924.68079
|
|
5520.0000 -132.00175 -125.08202 6.91973 2.57560 -125.00058 873.28365
|
|
5525.0000 -131.69391 -124.97567 6.71824 2.56755 -125.11687 884.20574
|
|
5530.0000 -130.70129 -124.23247 6.46881 2.56508 -125.15270 896.15163
|
|
5535.0000 -130.69524 -123.75870 6.93654 2.61251 -124.46669 953.24263
|
|
5540.0000 -131.50258 -124.06827 7.43432 2.58368 -124.88368 897.82200
|
|
5545.0000 -131.97302 -124.96257 7.01045 2.58709 -124.83432 908.10539
|
|
5550.0000 -132.91658 -125.89922 7.01736 2.52147 -125.78334 902.45851
|
|
5555.0000 -132.81557 -125.58659 7.22899 2.50213 -126.06305 859.84703
|
|
5560.0000 -132.36969 -125.63591 6.73377 2.56836 -125.10525 901.97905
|
|
5565.0000 -131.54444 -125.01568 6.52876 2.49932 -126.10368 852.11517
|
|
5570.0000 -131.27833 -124.56812 6.71020 2.57089 -125.06868 942.25473
|
|
5575.0000 -131.99548 -125.62306 6.37241 2.60189 -124.62032 940.33995
|
|
5580.0000 -131.44603 -125.41213 6.03391 2.55465 -125.30354 895.85214
|
|
5585.0000 -132.27465 -126.37247 5.90217 2.50118 -126.07680 838.05545
|
|
5590.0000 -132.78665 -127.18235 5.60430 2.53036 -125.65485 840.17021
|
|
5595.0000 -133.59083 -128.08559 5.50524 2.39638 -127.59253 774.62161
|
|
5600.0000 -133.37770 -127.89983 5.47787 2.34670 -128.31101 760.43922
|
|
5605.0000 -132.83062 -127.40344 5.42718 2.40633 -127.44858 794.84097
|
|
5610.0000 -132.19525 -124.91284 7.28240 2.51993 -125.80567 893.73554
|
|
5615.0000 -130.91586 -125.23716 5.67870 2.56129 -125.20744 899.37026
|
|
5620.0000 -129.12155 -123.17704 5.94451 2.64137 -124.04929 934.82989
|
|
5625.0000 -130.60821 -122.92843 7.67978 2.73989 -122.62449 1013.08611
|
|
5630.0000 -131.47819 -124.52354 6.95465 2.64747 -123.96108 953.16793
|
|
5635.0000 -130.70830 -125.40798 5.30032 2.58036 -124.93161 930.44773
|
|
5640.0000 -132.26027 -126.06527 6.19500 2.56791 -125.11178 894.69606
|
|
5645.0000 -131.95497 -125.78973 6.16524 2.50080 -126.08235 871.77219
|
|
5650.0000 -131.02039 -125.07327 5.94712 2.53244 -125.62465 888.24396
|
|
5655.0000 -133.29050 -125.81597 7.47453 2.53746 -125.55214 858.17072
|
|
5660.0000 -132.09809 -125.41386 6.68423 2.57118 -125.06443 916.15579
|
|
5665.0000 -132.81006 -127.20729 5.60277 2.55831 -125.25062 904.65783
|
|
5670.0000 -131.82995 -126.72605 5.10390 2.42950 -127.11354 809.76667
|
|
5675.0000 -133.11293 -124.64101 8.47192 2.53122 -125.64238 868.10749
|
|
5680.0000 -132.09414 -125.36351 6.73063 2.54111 -125.49931 935.52345
|
|
5685.0000 -132.49124 -125.14045 7.35079 2.51961 -125.81034 886.11156
|
|
5690.0000 -133.35000 -126.58693 6.76307 2.52601 -125.71773 891.32711
|
|
5695.0000 -131.55203 -125.45846 6.09357 2.55150 -125.34904 910.42714
|
|
5700.0000 -131.90088 -124.49738 7.40350 2.60249 -124.61157 908.06024
|
|
5705.0000 -131.65124 -126.11105 5.54020 2.58123 -124.91912 909.61900
|
|
5710.0000 -132.22395 -126.35517 5.86878 2.43909 -126.97476 801.88276
|
|
5715.0000 -130.48801 -124.75960 5.72842 2.49653 -126.14413 845.00839
|
|
5720.0000 -133.07149 -126.84043 6.23107 2.50732 -125.98805 858.15677
|
|
5725.0000 -131.51954 -125.72603 5.79351 2.51145 -125.92823 862.36069
|
|
5730.0000 -130.34764 -123.58907 6.75857 2.63145 -124.19274 929.22016
|
|
5735.0000 -131.37422 -125.60223 5.77199 2.64456 -124.00325 933.77878
|
|
5740.0000 -131.78961 -125.77127 6.01833 2.54035 -125.51033 869.43156
|
|
5745.0000 -131.11026 -126.01914 5.09111 2.52835 -125.68385 863.63110
|
|
5750.0000 -133.46381 -126.36265 7.10116 2.47997 -126.38352 797.62962
|
|
MELTING PROCESS: loop number 24 T-loop= 916.00000000000000
|
|
main_MD> interactions number 24 at Temperature= 916.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.16443 3.03109 2.30644
|
|
force_rgl> df(natom) -0.27816 -0.56437 -1.32074
|
|
5755.0000 -131.83616 -125.81431 6.02185 2.53627 -125.56928 861.21023
|
|
5760.0000 -132.33434 -126.63008 5.70426 2.46152 -126.65034 832.75979
|
|
5765.0000 -131.07356 -124.62822 6.44534 2.50374 -126.03976 862.96427
|
|
5770.0000 -132.34315 -125.42315 6.92000 2.54566 -125.43347 894.69921
|
|
5775.0000 -132.25905 -124.99039 7.26867 2.55937 -125.23528 912.17358
|
|
5780.0000 -129.90425 -122.97805 6.92620 2.58066 -124.92727 907.54073
|
|
5785.0000 -130.07822 -123.07636 7.00186 2.64235 -124.03512 959.98247
|
|
5790.0000 -130.28633 -124.69094 5.59539 2.62353 -124.30734 942.23874
|
|
5795.0000 -131.17064 -124.06214 7.10851 2.63806 -124.09717 945.07232
|
|
5800.0000 -131.03302 -124.67938 6.35363 2.58353 -124.88578 907.57667
|
|
5805.0000 -130.94359 -124.16729 6.77630 2.65117 -123.90763 975.59171
|
|
5810.0000 -130.75810 -124.09255 6.66555 2.64857 -123.94517 970.44154
|
|
5815.0000 -130.23695 -123.86033 6.37662 2.59421 -124.73131 941.89947
|
|
5820.0000 -131.45465 -124.88132 6.57333 2.56534 -125.14885 887.52316
|
|
5825.0000 -131.53102 -126.01737 5.51365 2.52968 -125.66459 898.44965
|
|
5830.0000 -132.47246 -126.53789 5.93457 2.48705 -126.28119 847.22971
|
|
5835.0000 -131.55388 -126.24153 5.31234 2.49940 -126.10258 867.81993
|
|
5840.0000 -132.71450 -126.33379 6.38071 2.55309 -125.32611 882.39205
|
|
5845.0000 -132.60429 -125.88568 6.71861 2.47819 -126.40936 848.82060
|
|
5850.0000 -131.92177 -124.91412 7.00765 2.54913 -125.38336 918.75683
|
|
5855.0000 -131.36891 -125.05193 6.31698 2.56470 -125.15817 904.19961
|
|
5860.0000 -131.88576 -125.51335 6.37241 2.56013 -125.22429 910.75842
|
|
5865.0000 -133.23804 -126.59526 6.64278 2.53478 -125.59088 841.63738
|
|
5870.0000 -130.54695 -124.99055 5.55640 2.56666 -125.12980 866.08041
|
|
5875.0000 -131.61613 -125.26783 6.34830 2.54287 -125.47387 890.96341
|
|
5880.0000 -131.44801 -125.41967 6.02834 2.50733 -125.98789 869.18212
|
|
5885.0000 -131.02792 -125.42780 5.60012 2.55483 -125.30084 925.84914
|
|
5890.0000 -130.90849 -123.89431 7.01418 2.56896 -125.09649 937.34562
|
|
5895.0000 -129.45705 -121.55718 7.89988 2.72152 -122.89016 1011.45327
|
|
5900.0000 -131.16804 -123.09178 8.07626 2.76777 -122.22125 1051.97873
|
|
5905.0000 -129.68605 -123.05448 6.63157 2.77023 -122.18566 1036.90626
|
|
5910.0000 -129.62722 -122.25794 7.36928 2.71333 -123.00857 997.06908
|
|
5915.0000 -129.46274 -122.25685 7.20589 2.72063 -122.90309 979.57916
|
|
5920.0000 -131.21853 -124.27602 6.94252 2.71684 -122.95788 1000.94753
|
|
5925.0000 -132.74426 -127.05964 5.68462 2.54803 -125.39921 884.24576
|
|
5930.0000 -131.31862 -125.77930 5.53932 2.52299 -125.76142 862.07263
|
|
5935.0000 -130.65819 -123.82392 6.83427 2.60703 -124.54603 946.34968
|
|
5940.0000 -131.09539 -123.17262 7.92277 2.72112 -122.89598 1044.69386
|
|
5945.0000 -130.12382 -123.68212 6.44170 2.63175 -124.18845 958.95727
|
|
5950.0000 -132.51487 -125.46625 7.04862 2.60603 -124.56040 965.31346
|
|
5955.0000 -131.55691 -125.46952 6.08739 2.52511 -125.73078 886.94365
|
|
5960.0000 -132.66542 -126.61535 6.05007 2.42797 -127.13558 794.46460
|
|
5965.0000 -132.03842 -126.05420 5.98422 2.48809 -126.26618 860.18395
|
|
5970.0000 -131.42586 -125.64733 5.77852 2.55749 -125.26245 900.79071
|
|
5975.0000 -131.20862 -125.02445 6.18417 2.53186 -125.63312 855.17150
|
|
5980.0000 -131.01136 -124.47479 6.53657 2.61289 -124.46125 927.28208
|
|
5985.0000 -129.91692 -122.68402 7.23290 2.73181 -122.74137 1001.27713
|
|
5990.0000 -130.50048 -124.20780 6.29268 2.64480 -123.99972 967.91103
|
|
5995.0000 -133.20781 -125.85360 7.35420 2.55889 -125.24220 847.11115
|
|
6000.0000 -130.85547 -124.40844 6.44704 2.60321 -124.60114 913.79114
|
|
MELTING PROCESS: loop number 25 T-loop= 941.00000000000000
|
|
main_MD> interactions number 25 at Temperature= 941.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.56339 1.00052 1.05737
|
|
force_rgl> df(natom) 2.44724 1.41807 1.41808
|
|
6005.0000 -129.98768 -123.10316 6.88452 2.71968 -122.91675 1013.60886
|
|
6010.0000 -131.80599 -125.25042 6.55558 2.69336 -123.29737 957.53482
|
|
6015.0000 -132.40606 -125.49114 6.91492 2.50019 -126.09112 875.88483
|
|
6020.0000 -132.18205 -125.41714 6.76491 2.57612 -124.99299 903.80557
|
|
6025.0000 -131.06900 -124.63582 6.43318 2.57419 -125.02092 916.09302
|
|
6030.0000 -130.37668 -125.16580 5.21088 2.54824 -125.39627 856.34706
|
|
6035.0000 -130.32125 -123.81391 6.50734 2.59405 -124.73367 924.35047
|
|
6040.0000 -130.80188 -122.94672 7.85516 2.67130 -123.61647 984.84546
|
|
6045.0000 -131.06390 -124.78513 6.27877 2.68180 -123.46458 982.39696
|
|
6050.0000 -132.08911 -125.45212 6.63699 2.55712 -125.26776 920.41547
|
|
6055.0000 -131.54197 -126.12259 5.41938 2.48471 -126.31507 847.69518
|
|
6060.0000 -131.57398 -126.47143 5.10255 2.47435 -126.46480 829.02820
|
|
6065.0000 -131.46117 -124.23472 7.22645 2.56765 -125.11550 914.60754
|
|
6070.0000 -129.14979 -120.49445 8.65534 2.73808 -122.65073 1016.19680
|
|
6075.0000 -127.68669 -121.51893 6.16776 2.86349 -120.83690 1061.43958
|
|
6080.0000 -128.96287 -122.36135 6.60153 2.78674 -121.94686 1059.58035
|
|
6085.0000 -131.11766 -123.00142 8.11624 2.75829 -122.35841 1035.56074
|
|
6090.0000 -129.58369 -122.84770 6.73599 2.69466 -123.27868 1004.49454
|
|
6095.0000 -131.56769 -123.79325 7.77444 2.67176 -123.60978 987.40946
|
|
6100.0000 -129.16081 -123.26579 5.89502 2.69934 -123.21092 976.67985
|
|
6105.0000 -131.02441 -125.36157 5.66284 2.56443 -125.16207 835.19708
|
|
6110.0000 -132.04161 -125.14513 6.89648 2.53592 -125.57433 907.68603
|
|
6115.0000 -131.42768 -124.49319 6.93449 2.58535 -124.85958 908.39947
|
|
6120.0000 -130.94614 -124.97977 5.96637 2.58783 -124.82366 906.97328
|
|
6125.0000 -131.72247 -125.34364 6.37883 2.57783 -124.96827 910.43777
|
|
6130.0000 -130.21203 -123.81483 6.39720 2.63019 -124.21109 975.33079
|
|
6135.0000 -130.51081 -123.90617 6.60464 2.67301 -123.59168 991.83258
|
|
6140.0000 -131.15490 -124.62251 6.53238 2.63653 -124.11929 940.18050
|
|
6145.0000 -130.72935 -124.52382 6.20553 2.68383 -123.43525 996.79259
|
|
6150.0000 -131.78868 -125.64908 6.13960 2.55408 -125.31182 884.20443
|
|
6155.0000 -131.87425 -125.93459 5.93967 2.49555 -126.15826 872.61858
|
|
6160.0000 -132.47803 -125.78320 6.69483 2.53184 -125.63338 866.82150
|
|
6165.0000 -131.49627 -125.11385 6.38241 2.57592 -124.99585 902.42711
|
|
6170.0000 -131.41794 -126.60596 4.81198 2.52977 -125.66334 870.28814
|
|
6175.0000 -131.09129 -124.47809 6.61320 2.50591 -126.00839 858.41071
|
|
6180.0000 -131.30813 -124.37977 6.92835 2.58366 -124.88390 864.54065
|
|
6185.0000 -130.60052 -123.84243 6.75809 2.61648 -124.40928 921.00186
|
|
6190.0000 -131.09818 -125.42753 5.67065 2.57659 -124.98626 914.02222
|
|
6195.0000 -131.46984 -124.49158 6.97826 2.62168 -124.33405 962.54810
|
|
6200.0000 -129.62032 -123.61749 6.00283 2.58042 -124.93084 923.67115
|
|
6205.0000 -129.38940 -122.60111 6.78828 2.73557 -122.68703 1005.74761
|
|
6210.0000 -131.77255 -123.58085 8.19171 2.68632 -123.39919 968.60489
|
|
6215.0000 -131.08039 -123.50449 7.57591 2.63232 -124.18014 941.03401
|
|
6220.0000 -131.29695 -124.33781 6.95914 2.58149 -124.91535 926.07470
|
|
6225.0000 -131.03072 -124.95053 6.08019 2.58474 -124.86832 908.79238
|
|
6230.0000 -130.97813 -124.68304 6.29509 2.56390 -125.16970 887.18559
|
|
6235.0000 -132.02961 -124.90404 7.12557 2.60616 -124.55848 932.91313
|
|
6240.0000 -130.38347 -122.66854 7.71493 2.65118 -123.90744 963.68265
|
|
6245.0000 -132.30714 -126.32877 5.97837 2.60043 -124.64142 927.35107
|
|
6250.0000 -131.72399 -124.72451 6.99949 2.53744 -125.55242 908.11414
|
|
MELTING PROCESS: loop number 26 T-loop= 966.00000000000000
|
|
main_MD> interactions number 26 at Temperature= 966.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.51925 -1.96047 1.69180
|
|
force_rgl> df(natom) -1.02020 -4.20123 0.66426
|
|
6255.0000 -130.67946 -122.44518 8.23429 2.65591 -123.83903 965.32623
|
|
6260.0000 -129.63262 -122.31408 7.31853 2.73824 -122.64839 1063.31184
|
|
6265.0000 -130.15713 -123.11921 7.03792 2.66413 -123.72013 966.04991
|
|
6270.0000 -129.86712 -123.20703 6.66009 2.70883 -123.07374 1034.80049
|
|
6275.0000 -130.06263 -122.75980 7.30284 2.71579 -122.97308 991.10151
|
|
6280.0000 -131.74655 -124.75922 6.98733 2.64341 -124.01980 928.16497
|
|
6285.0000 -128.65786 -122.28438 6.37348 2.67613 -123.54661 973.87691
|
|
6290.0000 -129.31959 -123.28400 6.03559 2.75853 -122.35495 1024.45002
|
|
6295.0000 -130.08939 -123.33293 6.75646 2.70762 -123.09121 1001.27608
|
|
6300.0000 -131.95161 -124.29244 7.65917 2.68437 -123.42739 1009.66077
|
|
6305.0000 -132.01207 -124.21057 7.80150 2.66082 -123.76797 980.12306
|
|
6310.0000 -129.05043 -121.98631 7.06413 2.65993 -123.78095 959.78641
|
|
6315.0000 -129.67965 -123.64690 6.03275 2.71008 -123.05562 1002.66907
|
|
6320.0000 -129.60920 -122.51094 7.09826 2.70173 -123.17633 965.62243
|
|
6325.0000 -130.80686 -124.35048 6.45638 2.70005 -123.20065 991.30077
|
|
6330.0000 -131.66066 -124.89849 6.76216 2.55726 -125.26577 908.48113
|
|
6335.0000 -131.64422 -124.72146 6.92277 2.58883 -124.80914 928.40931
|
|
6340.0000 -132.84927 -126.26894 6.58033 2.56458 -125.15991 934.51875
|
|
6345.0000 -131.95673 -125.37263 6.58411 2.58800 -124.82116 915.51616
|
|
6350.0000 -131.10744 -122.72502 8.38242 2.66115 -123.76326 960.30307
|
|
6355.0000 -130.13233 -122.48340 7.64893 2.71534 -122.97949 1014.22208
|
|
6360.0000 -130.59431 -123.80139 6.79293 2.77742 -122.08169 1014.86647
|
|
6365.0000 -131.46301 -123.63262 7.83039 2.69407 -123.28712 994.69258
|
|
6370.0000 -130.23728 -122.93645 7.30084 2.69686 -123.24682 1009.76419
|
|
6375.0000 -130.45743 -124.09952 6.35792 2.67698 -123.53429 990.72702
|
|
6380.0000 -130.48052 -123.32111 7.15941 2.65237 -123.89019 996.76655
|
|
6385.0000 -131.84688 -125.62145 6.22543 2.57410 -125.02224 892.36857
|
|
6390.0000 -131.78695 -126.43753 5.34941 2.50113 -126.07751 848.26629
|
|
6395.0000 -132.17069 -126.07390 6.09679 2.48263 -126.34506 839.95055
|
|
6400.0000 -131.03698 -124.15469 6.88229 2.54778 -125.40290 845.79677
|
|
6405.0000 -131.19575 -124.70094 6.49481 2.62650 -124.26443 923.43455
|
|
6410.0000 -130.91477 -123.88186 7.03291 2.59542 -124.71391 949.63887
|
|
6415.0000 -130.87455 -123.37150 7.50306 2.68031 -123.48614 985.73723
|
|
6420.0000 -129.68923 -124.27840 5.41084 2.65647 -123.83100 985.58736
|
|
6425.0000 -130.94156 -124.62277 6.31880 2.63907 -124.08256 953.63323
|
|
6430.0000 -130.32057 -122.52346 7.79711 2.70159 -123.17835 989.76134
|
|
6435.0000 -128.71428 -121.90723 6.80706 2.82387 -121.40990 1087.34851
|
|
6440.0000 -131.05192 -123.73002 7.32190 2.72174 -122.88691 998.48157
|
|
6445.0000 -130.30042 -122.19147 8.10895 2.68669 -123.39392 982.77362
|
|
6450.0000 -131.18854 -122.64111 8.54743 2.77065 -122.17958 1021.91383
|
|
6455.0000 -129.50849 -121.92091 7.58758 2.76992 -122.19018 1046.92721
|
|
6460.0000 -131.69835 -124.73634 6.96201 2.67883 -123.50751 949.13194
|
|
6465.0000 -129.08273 -122.61719 6.46554 2.69065 -123.33656 967.75525
|
|
6470.0000 -130.72829 -123.69805 7.03024 2.66990 -123.63669 982.34169
|
|
6475.0000 -131.21501 -124.29041 6.92460 2.59761 -124.68224 920.58743
|
|
6480.0000 -130.31647 -124.58689 5.72958 2.63295 -124.17106 932.76900
|
|
6485.0000 -131.13845 -124.45030 6.68816 2.57977 -124.94017 851.25162
|
|
6490.0000 -129.74612 -124.05415 5.69197 2.62184 -124.33178 907.41674
|
|
6495.0000 -130.83524 -123.27719 7.55805 2.62530 -124.28173 953.60528
|
|
6500.0000 -131.64101 -125.04431 6.59670 2.59206 -124.76250 878.87344
|
|
MELTING PROCESS: loop number 27 T-loop= 991.00000000000000
|
|
main_MD> interactions number 27 at Temperature= 991.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.80505 2.91638 -2.84913
|
|
force_rgl> df(natom) 3.96951 -3.65006 6.08714
|
|
6505.0000 -131.21217 -123.99266 7.21951 2.58784 -124.82357 917.40366
|
|
6510.0000 -130.49019 -122.31605 8.17414 2.65512 -123.85051 1010.37904
|
|
6515.0000 -130.23882 -122.31764 7.92117 2.78554 -121.96425 1052.93682
|
|
6520.0000 -131.15932 -123.77753 7.38179 2.67637 -123.54315 984.12100
|
|
6525.0000 -130.83925 -124.61243 6.22683 2.66151 -123.75802 970.54610
|
|
6530.0000 -130.89603 -124.41600 6.48003 2.64282 -124.02832 968.20849
|
|
6535.0000 -130.83684 -124.17829 6.65855 2.62679 -124.26017 930.80987
|
|
6540.0000 -130.81210 -124.03649 6.77561 2.62673 -124.26105 935.21026
|
|
6545.0000 -129.18547 -121.84531 7.34016 2.73112 -122.75138 1003.94468
|
|
6550.0000 -129.69544 -123.15623 6.53922 2.71614 -122.96798 977.14118
|
|
6555.0000 -131.08966 -122.03305 9.05661 2.73357 -122.71591 1033.78100
|
|
6560.0000 -129.67341 -121.72621 7.94720 2.79311 -121.85486 1080.83412
|
|
6565.0000 -130.20851 -122.88238 7.32613 2.71440 -122.99312 968.02880
|
|
6570.0000 -130.15534 -123.14072 7.01462 2.70289 -123.15958 979.62370
|
|
6575.0000 -130.38477 -123.25928 7.12548 2.65577 -123.84109 961.55972
|
|
6580.0000 -132.02906 -123.65428 8.37478 2.73338 -122.71870 1024.17836
|
|
6585.0000 -130.58806 -123.89644 6.69162 2.65489 -123.85374 937.75802
|
|
6590.0000 -130.83213 -124.58919 6.24294 2.61889 -124.37445 906.81460
|
|
6595.0000 -129.25513 -123.09212 6.16301 2.66470 -123.71186 955.98750
|
|
6600.0000 -132.12799 -124.60363 7.52437 2.66579 -123.69618 996.29799
|
|
6605.0000 -131.26934 -123.49188 7.77746 2.66432 -123.71747 956.59778
|
|
6610.0000 -129.66456 -122.83213 6.83243 2.65784 -123.81113 979.05526
|
|
6615.0000 -129.83948 -122.20634 7.63314 2.69232 -123.31252 1002.71781
|
|
6620.0000 -129.60056 -121.69255 7.90801 2.80326 -121.70796 1072.33665
|
|
6625.0000 -130.72168 -124.13847 6.58322 2.71985 -122.91425 1017.94857
|
|
6630.0000 -130.71741 -123.67173 7.04568 2.71550 -122.97724 1002.61809
|
|
6635.0000 -132.15172 -123.82937 8.32235 2.62110 -124.34250 922.01108
|
|
6640.0000 -127.80427 -120.77961 7.02467 2.75424 -122.41693 1006.69000
|
|
6645.0000 -130.37796 -124.24338 6.13457 2.75399 -122.42051 1001.05540
|
|
6650.0000 -129.45714 -123.33596 6.12118 2.69391 -123.28948 964.46734
|
|
6655.0000 -129.69551 -122.64652 7.04899 2.73249 -122.73145 1026.05341
|
|
6660.0000 -130.21841 -122.84248 7.37593 2.74871 -122.49698 1009.99448
|
|
6665.0000 -131.74457 -124.54651 7.19806 2.58993 -124.79329 936.68231
|
|
6670.0000 -130.53523 -123.82710 6.70813 2.65729 -123.81902 963.75228
|
|
6675.0000 -130.84319 -123.32967 7.51352 2.66010 -123.77843 977.89022
|
|
6680.0000 -132.18289 -124.36781 7.81508 2.68010 -123.48917 1033.27276
|
|
6685.0000 -130.68895 -122.78570 7.90325 2.68863 -123.36576 987.13968
|
|
6690.0000 -129.33181 -122.68646 6.64535 2.72020 -122.90922 986.33130
|
|
6695.0000 -129.74764 -123.13914 6.60850 2.72622 -122.82223 1039.68222
|
|
6700.0000 -129.53509 -122.37297 7.16212 2.73360 -122.71551 1009.97724
|
|
6705.0000 -127.94038 -121.67294 6.26744 2.81071 -121.60023 1065.16609
|
|
6710.0000 -129.71874 -120.57561 9.14313 2.78935 -121.90922 1075.48933
|
|
6715.0000 -128.93773 -122.69465 6.24309 2.80215 -121.72400 1080.76819
|
|
6720.0000 -129.71919 -122.49496 7.22423 2.75601 -122.39138 1040.92977
|
|
6725.0000 -131.10913 -123.45698 7.65215 2.66952 -123.64228 977.15566
|
|
6730.0000 -132.43704 -126.25814 6.17890 2.59191 -124.76458 912.92582
|
|
6735.0000 -132.62480 -126.12026 6.50454 2.50654 -125.99936 853.78836
|
|
6740.0000 -132.46769 -124.78983 7.67786 2.53415 -125.59994 912.72876
|
|
6745.0000 -130.06265 -123.36001 6.70264 2.58833 -124.81640 936.36754
|
|
6750.0000 -131.41515 -123.83695 7.57820 2.71640 -122.96419 1026.59787
|
|
MELTING PROCESS: loop number 28 T-loop= 1016.0000000000000
|
|
main_MD> interactions number 28 at Temperature= 1016.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 4.58186 1.22625 1.71148
|
|
force_rgl> df(natom) 1.92862 0.58316 -0.10197
|
|
6755.0000 -129.60931 -122.92677 6.68254 2.75809 -122.36130 1028.81142
|
|
6760.0000 -128.69228 -122.12418 6.56810 2.80967 -121.61528 1066.48574
|
|
6765.0000 -129.90231 -122.90827 6.99404 2.73163 -122.74400 1024.10535
|
|
6770.0000 -130.63217 -123.18169 7.45048 2.66994 -123.63613 986.86856
|
|
6775.0000 -130.19456 -122.88308 7.31148 2.78441 -121.98068 1096.14337
|
|
6780.0000 -131.02493 -123.13986 7.88507 2.72220 -122.88035 1010.12425
|
|
6785.0000 -131.38211 -124.81611 6.56600 2.65791 -123.81006 961.83648
|
|
6790.0000 -130.48033 -123.07239 7.40794 2.68370 -123.43707 978.95516
|
|
6795.0000 -127.43026 -120.81557 6.61469 2.74216 -122.59159 1040.46772
|
|
6800.0000 -129.28845 -123.22501 6.06344 2.78026 -122.04059 1046.40460
|
|
6805.0000 -130.32718 -123.40942 6.91775 2.65825 -123.80519 953.34438
|
|
6810.0000 -130.01761 -122.69869 7.31892 2.70053 -123.19377 997.14217
|
|
6815.0000 -131.21987 -124.03181 7.18806 2.74381 -122.56776 1021.92472
|
|
6820.0000 -129.93488 -122.76210 7.17278 2.68710 -123.38802 971.81329
|
|
6825.0000 -131.21288 -124.52758 6.68530 2.65748 -123.81633 952.59035
|
|
6830.0000 -131.06576 -124.82805 6.23771 2.62232 -124.32488 931.73741
|
|
6835.0000 -129.91273 -123.42824 6.48449 2.66332 -123.73192 969.80211
|
|
6840.0000 -131.02274 -123.91343 7.10931 2.66539 -123.70192 992.58758
|
|
6845.0000 -128.52710 -120.97654 7.55056 2.74597 -122.53662 1040.05161
|
|
6850.0000 -129.87807 -122.00514 7.87293 2.84653 -121.08223 1117.55587
|
|
6855.0000 -131.20459 -125.34465 5.85994 2.73864 -122.64256 1048.40017
|
|
6860.0000 -128.77915 -121.73003 7.04912 2.70951 -123.06392 987.82560
|
|
6865.0000 -129.11887 -122.89042 6.22844 2.82384 -121.41031 1088.58343
|
|
6870.0000 -129.20716 -121.50972 7.69745 2.73756 -122.65825 1049.66164
|
|
6875.0000 -129.68718 -122.80999 6.87719 2.77802 -122.07301 1037.79778
|
|
6880.0000 -130.03311 -122.40544 7.62767 2.68422 -123.42963 974.09417
|
|
6885.0000 -130.60956 -124.47937 6.13019 2.69109 -123.33028 1002.59108
|
|
6890.0000 -130.78447 -124.03183 6.75265 2.63696 -124.11309 958.22078
|
|
6895.0000 -130.96052 -123.01051 7.95001 2.69398 -123.28852 991.58766
|
|
6900.0000 -129.99445 -123.07043 6.92402 2.70411 -123.14199 1019.12037
|
|
6905.0000 -130.03872 -123.09077 6.94795 2.75314 -122.43286 1038.74483
|
|
6910.0000 -131.68689 -123.81854 7.86835 2.66656 -123.68504 980.76421
|
|
6915.0000 -130.09687 -122.90862 7.18825 2.69757 -123.23651 1010.00079
|
|
6920.0000 -131.30694 -124.00777 7.29917 2.66797 -123.66466 982.14359
|
|
6925.0000 -129.53239 -122.54492 6.98747 2.69396 -123.28868 998.77293
|
|
6930.0000 -129.18529 -121.80353 7.38176 2.76777 -122.22133 999.63839
|
|
6935.0000 -128.05523 -119.14635 8.90888 2.83458 -121.25509 1075.89232
|
|
6940.0000 -129.33806 -122.63251 6.70555 2.85426 -120.97040 1090.33090
|
|
6945.0000 -129.25453 -122.03438 7.22015 2.74192 -122.59506 1030.83511
|
|
6950.0000 -129.15485 -122.66829 6.48656 2.74963 -122.48359 1057.02454
|
|
6955.0000 -130.25005 -123.03527 7.21478 2.67855 -123.51159 1014.03527
|
|
6960.0000 -131.24125 -123.70418 7.53707 2.70487 -123.13100 1020.34911
|
|
6965.0000 -129.40570 -123.10474 6.30096 2.62092 -124.34512 960.89582
|
|
6970.0000 -130.31958 -122.87378 7.44580 2.68984 -123.34839 991.77652
|
|
6975.0000 -128.00734 -120.70720 7.30014 2.81131 -121.59157 1090.05406
|
|
6980.0000 -128.46794 -121.61301 6.85492 2.84034 -121.17167 1069.75297
|
|
6985.0000 -129.15692 -122.50528 6.65165 2.70635 -123.10951 987.62704
|
|
6990.0000 -130.85415 -123.42977 7.42438 2.68952 -123.35300 980.09905
|
|
6995.0000 -128.98665 -122.15961 6.82704 2.71700 -122.95559 991.03743
|
|
7000.0000 -129.39201 -122.14080 7.25121 2.79538 -121.82196 1070.22164
|
|
MELTING PROCESS: loop number 29 T-loop= 1041.0000000000000
|
|
main_MD> interactions number 29 at Temperature= 1041.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.70066 2.21428 -8.31298
|
|
force_rgl> df(natom) 2.43745 -1.43760 3.07227
|
|
7005.0000 -130.28479 -122.74278 7.54201 2.74941 -122.48674 1031.07074
|
|
7010.0000 -129.41919 -122.61061 6.80858 2.67743 -123.52775 1029.53943
|
|
7015.0000 -128.41879 -121.11161 7.30717 2.83731 -121.21561 1052.42271
|
|
7020.0000 -128.37298 -121.67865 6.69433 2.78486 -121.97415 1075.19520
|
|
7025.0000 -130.34830 -123.52493 6.82337 2.70102 -123.18671 1009.59820
|
|
7030.0000 -129.94561 -123.13024 6.81536 2.70798 -123.08591 1010.94665
|
|
7035.0000 -129.70885 -121.38360 8.32525 2.82662 -121.37022 1083.15937
|
|
7040.0000 -129.22533 -121.13475 8.09058 2.86016 -120.88513 1100.68314
|
|
7045.0000 -128.30700 -121.06558 7.24143 2.85939 -120.89619 1114.52252
|
|
7050.0000 -130.83653 -123.40670 7.42983 2.80241 -121.72023 1107.21687
|
|
7055.0000 -130.02868 -122.59243 7.43625 2.75999 -122.33386 1047.56554
|
|
7060.0000 -130.23116 -122.70913 7.52203 2.71493 -122.98542 1013.77857
|
|
7065.0000 -128.62831 -121.81912 6.80920 2.76718 -122.22982 1021.71570
|
|
7070.0000 -129.84114 -123.18039 6.66076 2.74621 -122.53308 1018.06412
|
|
7075.0000 -130.18145 -123.52143 6.66002 2.69752 -123.23723 1000.46178
|
|
7080.0000 -130.73227 -123.80339 6.92889 2.65305 -123.88047 985.66370
|
|
7085.0000 -129.98579 -122.51342 7.47237 2.81090 -121.59755 1077.23293
|
|
7090.0000 -126.06414 -119.27443 6.78971 2.87059 -120.73418 1156.75473
|
|
7095.0000 -130.14472 -121.65332 8.49140 2.94806 -119.61385 1200.12283
|
|
7100.0000 -129.90013 -123.42388 6.47625 2.72166 -122.88813 1009.76804
|
|
7105.0000 -128.18038 -121.29935 6.88102 2.75419 -122.41763 1004.11234
|
|
7110.0000 -130.36906 -121.57695 8.79211 2.82408 -121.40690 1095.06107
|
|
7115.0000 -131.63833 -123.47609 8.16223 2.71575 -122.97359 1035.52932
|
|
7120.0000 -130.52361 -123.77175 6.75186 2.69090 -123.33299 998.56198
|
|
7125.0000 -130.88694 -124.11790 6.76904 2.63994 -124.07001 940.31665
|
|
7130.0000 -130.53891 -123.92371 6.61519 2.74422 -122.56181 1060.04730
|
|
7135.0000 -130.84929 -124.05210 6.79719 2.63897 -124.08405 940.20110
|
|
7140.0000 -130.65617 -123.90328 6.75289 2.67331 -123.58742 980.59525
|
|
7145.0000 -130.79186 -123.97954 6.81232 2.73674 -122.66998 1043.89322
|
|
7150.0000 -130.89130 -123.55160 7.33970 2.65814 -123.80686 967.13561
|
|
7155.0000 -130.44355 -123.23407 7.20948 2.67846 -123.51293 975.26406
|
|
7160.0000 -128.97014 -122.54618 6.42396 2.70007 -123.20033 984.59211
|
|
7165.0000 -130.53854 -121.86322 8.67532 2.78628 -121.95363 1036.63046
|
|
7170.0000 -129.46816 -121.64139 7.82677 2.78563 -121.96301 1063.59621
|
|
7175.0000 -129.39351 -121.58364 7.80987 2.75471 -122.41018 1068.73750
|
|
7180.0000 -130.79038 -122.37237 8.41800 2.79939 -121.76391 1061.19016
|
|
7185.0000 -132.12799 -125.06246 7.06553 2.64373 -124.01522 936.93499
|
|
7190.0000 -132.00970 -124.59644 7.41326 2.60294 -124.60510 934.00440
|
|
7195.0000 -129.95563 -121.50826 8.44737 2.78389 -121.98816 1062.83715
|
|
7200.0000 -129.08329 -120.97573 8.10755 2.82217 -121.43450 1095.06180
|
|
7205.0000 -129.40974 -122.60283 6.80692 2.78648 -121.95064 1082.62783
|
|
7210.0000 -130.45536 -123.03720 7.41816 2.74619 -122.53339 1021.62535
|
|
7215.0000 -128.40189 -121.05466 7.34723 2.75176 -122.45287 1023.74394
|
|
7220.0000 -129.93217 -121.39600 8.53618 2.86950 -120.75004 1108.31340
|
|
7225.0000 -130.52224 -124.17419 6.34806 2.76701 -122.23221 1044.53238
|
|
7230.0000 -130.64681 -123.68149 6.96532 2.69417 -123.28571 1001.22442
|
|
7235.0000 -129.83663 -122.28647 7.55017 2.69095 -123.33223 940.66155
|
|
7240.0000 -129.84490 -122.11177 7.73313 2.72488 -122.84163 1021.74283
|
|
7245.0000 -129.81898 -122.95989 6.85909 2.69624 -123.25576 1034.00487
|
|
7250.0000 -128.33662 -119.92205 8.41456 2.82447 -121.40127 1101.92012
|
|
MELTING PROCESS: loop number 30 T-loop= 1066.0000000000000
|
|
main_MD> interactions number 30 at Temperature= 1066.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.67875 -1.02760 4.53561
|
|
force_rgl> df(natom) -1.83577 1.05762 -0.67025
|
|
7255.0000 -130.27160 -122.98536 7.28624 2.78174 -122.01920 1077.09327
|
|
7260.0000 -129.40396 -121.96498 7.43898 2.77822 -122.07016 1073.12239
|
|
7265.0000 -128.24958 -120.19271 8.05687 2.83276 -121.28137 1067.11040
|
|
7270.0000 -128.76487 -120.22183 8.54303 2.90823 -120.18988 1148.18933
|
|
7275.0000 -129.72468 -119.78285 9.94183 2.91144 -120.14341 1162.75777
|
|
7280.0000 -128.11173 -119.38806 8.72367 2.90208 -120.27882 1166.17616
|
|
7285.0000 -129.41141 -120.42242 8.98899 2.88092 -120.58488 1142.18957
|
|
7290.0000 -129.02415 -120.56367 8.46048 2.86551 -120.80774 1114.55983
|
|
7295.0000 -129.78685 -121.30093 8.48592 2.90722 -120.20447 1160.06142
|
|
7300.0000 -129.61476 -122.02853 7.58623 2.76195 -122.30551 1064.69898
|
|
7305.0000 -129.51287 -121.73511 7.77776 2.80423 -121.69395 1076.04241
|
|
7310.0000 -129.84991 -121.82338 8.02653 2.79729 -121.79432 1068.31323
|
|
7315.0000 -130.75704 -122.80658 7.95046 2.74347 -122.57272 1053.57830
|
|
7320.0000 -131.14602 -125.10164 6.04439 2.62525 -124.28248 955.81717
|
|
7325.0000 -128.70066 -121.65375 7.04690 2.63350 -124.16311 931.93216
|
|
7330.0000 -128.93956 -120.45598 8.48358 2.84658 -121.08142 1109.28086
|
|
7335.0000 -128.13729 -120.11408 8.02321 2.88473 -120.52978 1139.69991
|
|
7340.0000 -128.12720 -119.78978 8.33741 2.90324 -120.26200 1156.90254
|
|
7345.0000 -128.54757 -121.55635 6.99122 2.88200 -120.56922 1139.82668
|
|
7350.0000 -128.45147 -119.80903 8.64244 2.81288 -121.56884 1091.47861
|
|
7355.0000 -129.34478 -121.80355 7.54124 2.83238 -121.28680 1080.93818
|
|
7360.0000 -128.44253 -119.18548 9.25705 2.92345 -119.96983 1186.95118
|
|
7365.0000 -125.62758 -118.41347 7.21410 2.99984 -118.86494 1237.32807
|
|
7370.0000 -127.75016 -120.60088 7.14928 2.96273 -119.40174 1185.49914
|
|
7375.0000 -129.51284 -122.11930 7.39355 2.78431 -121.98205 1030.96534
|
|
7380.0000 -128.93616 -121.52236 7.41380 2.80941 -121.61908 1049.10529
|
|
7385.0000 -130.50668 -123.58340 6.92328 2.71181 -123.03054 1005.24855
|
|
7390.0000 -130.50793 -122.72012 7.78782 2.70243 -123.16621 1018.21814
|
|
7395.0000 -131.69093 -124.45807 7.23286 2.67834 -123.51472 1014.73988
|
|
7400.0000 -129.62437 -122.61898 7.00539 2.72642 -122.81935 1038.51417
|
|
7405.0000 -129.64966 -122.32801 7.32164 2.73324 -122.72073 1023.27671
|
|
7410.0000 -130.28757 -121.92384 8.36374 2.75893 -122.34918 1060.27350
|
|
7415.0000 -128.85117 -121.68261 7.16856 2.86797 -120.77208 1113.63152
|
|
7420.0000 -129.19776 -121.20295 7.99481 2.85197 -121.00348 1108.02657
|
|
7425.0000 -128.68562 -120.47829 8.20733 2.80096 -121.74121 1082.74220
|
|
7430.0000 -128.75199 -121.81547 6.93652 2.77857 -122.06506 1051.05729
|
|
7435.0000 -131.26146 -122.81895 8.44251 2.78669 -121.94763 1071.96589
|
|
7440.0000 -129.70122 -123.39084 6.31038 2.66766 -123.66916 974.45685
|
|
7445.0000 -130.90431 -122.85083 8.05348 2.68173 -123.46565 987.59283
|
|
7450.0000 -131.19646 -123.72031 7.47615 2.66436 -123.71679 1007.76467
|
|
7455.0000 -129.91406 -122.54678 7.36728 2.72976 -122.77100 1039.63284
|
|
7460.0000 -128.07685 -121.78834 6.28851 2.77018 -122.18640 1053.95815
|
|
7465.0000 -129.50071 -123.12709 6.37361 2.76210 -122.30322 1052.92367
|
|
7470.0000 -129.86593 -121.10301 8.76292 2.81930 -121.47606 1091.08223
|
|
7475.0000 -128.49944 -120.59401 7.90543 2.89867 -120.32815 1104.47231
|
|
7480.0000 -129.92781 -122.34878 7.57903 2.87604 -120.65549 1112.27061
|
|
7485.0000 -127.63578 -120.66382 6.97196 2.82341 -121.41664 1058.15248
|
|
7490.0000 -130.05135 -122.33848 7.71286 2.83595 -121.23524 1052.32753
|
|
7495.0000 -129.45763 -121.36187 8.09576 2.83293 -121.27897 1113.49018
|
|
7500.0000 -129.09149 -121.97409 7.11740 2.86375 -120.83312 1139.89855
|
|
MELTING PROCESS: loop number 31 T-loop= 1091.0000000000000
|
|
main_MD> interactions number 31 at Temperature= 1091.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -7.64606 4.92737 5.33076
|
|
force_rgl> df(natom) -2.23770 3.40836 3.93948
|
|
7505.0000 -127.25638 -118.84173 8.41465 2.79225 -121.86724 1066.33148
|
|
7510.0000 -126.63154 -118.26664 8.36490 3.03500 -118.35652 1258.57393
|
|
7515.0000 -126.57160 -118.57856 7.99304 3.04195 -118.25598 1232.23710
|
|
7520.0000 -128.99511 -121.09734 7.89777 2.95470 -119.51786 1179.16847
|
|
7525.0000 -129.10817 -120.16458 8.94359 2.81473 -121.54211 1101.29774
|
|
7530.0000 -129.37063 -119.96327 9.40736 2.86823 -120.76840 1119.74879
|
|
7535.0000 -129.61330 -121.59932 8.01398 2.89121 -120.43604 1092.97348
|
|
7540.0000 -127.86632 -120.44497 7.42135 2.90608 -120.22097 1088.01287
|
|
7545.0000 -129.37389 -121.86630 7.50759 2.78991 -121.90113 1038.89292
|
|
7550.0000 -127.56111 -119.17258 8.38854 2.87869 -120.61715 1131.64599
|
|
7555.0000 -128.77681 -119.41960 9.35721 2.89395 -120.39634 1160.07067
|
|
7560.0000 -128.64227 -121.48784 7.15443 2.93637 -119.78293 1156.73348
|
|
7565.0000 -128.99015 -121.39693 7.59321 2.87759 -120.63307 1109.29980
|
|
7570.0000 -128.13294 -118.43674 9.69620 2.85684 -120.93314 1100.15220
|
|
7575.0000 -127.97196 -118.90236 9.06960 3.02394 -118.51639 1252.09816
|
|
7580.0000 -126.72425 -119.52283 7.20142 2.99486 -118.93697 1184.58104
|
|
7585.0000 -128.55640 -120.51372 8.04268 2.90252 -120.27249 1152.94194
|
|
7590.0000 -129.36895 -122.43420 6.93475 2.84967 -121.03673 1072.73711
|
|
7595.0000 -128.07277 -119.76785 8.30491 2.85661 -120.93643 1113.66260
|
|
7600.0000 -130.45586 -121.47882 8.97703 2.83319 -121.27512 1097.65788
|
|
7605.0000 -129.40864 -121.50818 7.90047 2.81876 -121.48376 1052.72551
|
|
7610.0000 -128.86261 -119.85569 9.00693 2.89689 -120.35386 1145.50062
|
|
7615.0000 -129.09297 -122.09623 6.99674 2.92927 -119.88561 1209.75946
|
|
7620.0000 -132.09772 -124.51546 7.58227 2.68980 -123.34891 987.09334
|
|
7625.0000 -130.82443 -123.02276 7.80167 2.63087 -124.20123 958.64126
|
|
7630.0000 -130.68928 -122.27952 8.40976 2.78348 -121.99406 1082.38234
|
|
7635.0000 -130.22288 -122.40563 7.81725 2.76274 -122.29401 1046.22925
|
|
7640.0000 -129.22099 -122.02763 7.19336 2.78828 -121.92462 1067.93379
|
|
7645.0000 -127.77386 -122.50051 5.27335 2.74271 -122.58374 1064.35738
|
|
7650.0000 -129.69343 -121.07746 8.61597 2.76867 -122.20831 1049.06697
|
|
7655.0000 -130.06429 -123.39750 6.66679 2.79100 -121.88528 1074.10372
|
|
7660.0000 -128.33919 -120.65900 7.68019 2.81876 -121.48380 1060.70102
|
|
7665.0000 -129.02196 -120.90135 8.12061 2.85134 -121.01263 1093.40739
|
|
7670.0000 -129.04958 -121.58912 7.46047 2.81249 -121.57449 1086.16781
|
|
7675.0000 -129.30552 -121.58953 7.71599 2.79432 -121.83726 1072.62674
|
|
7680.0000 -129.20503 -122.34556 6.85947 2.84336 -121.12802 1108.46765
|
|
7685.0000 -129.82640 -124.24025 5.58615 2.81912 -121.47856 1075.32203
|
|
7690.0000 -130.43020 -122.03956 8.39064 2.69937 -123.21056 1034.09648
|
|
7695.0000 -127.02736 -119.97225 7.05510 2.87499 -120.67054 1132.20629
|
|
7700.0000 -127.64694 -120.03485 7.61208 2.92083 -120.00764 1137.82958
|
|
7705.0000 -129.43192 -122.43735 6.99457 2.76593 -122.24791 1064.01168
|
|
7710.0000 -129.75425 -121.69206 8.06219 2.76841 -122.21203 1072.59496
|
|
7715.0000 -128.20759 -120.46072 7.74687 2.81990 -121.46741 1104.60499
|
|
7720.0000 -129.30190 -119.96484 9.33706 2.91955 -120.02622 1161.72570
|
|
7725.0000 -127.14301 -120.64695 6.49607 2.93592 -119.78944 1165.39500
|
|
7730.0000 -129.81217 -122.35908 7.45309 2.82165 -121.44200 1055.23503
|
|
7735.0000 -131.25226 -123.03157 8.22069 2.71524 -122.98104 984.01461
|
|
7740.0000 -129.61673 -122.34461 7.27213 2.74054 -122.61506 1037.18957
|
|
7745.0000 -128.21175 -120.18759 8.02416 2.80250 -121.71905 1076.87068
|
|
7750.0000 -130.17807 -121.95653 8.22154 2.84348 -121.12629 1107.99494
|
|
MELTING PROCESS: loop number 32 T-loop= 1116.0000000000000
|
|
main_MD> interactions number 32 at Temperature= 1116.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.94675 0.70023 -0.99010
|
|
force_rgl> df(natom) 0.88886 -0.22216 -4.00149
|
|
7755.0000 -126.05150 -118.52721 7.52428 2.92777 -119.90730 1169.28298
|
|
7760.0000 -129.27528 -121.46059 7.81469 2.93394 -119.81799 1179.97054
|
|
7765.0000 -128.63962 -121.36161 7.27800 2.86948 -120.75023 1163.66668
|
|
7770.0000 -128.81319 -119.42171 9.39147 2.96032 -119.43649 1163.66743
|
|
7775.0000 -128.64576 -120.47953 8.16623 2.89198 -120.42495 1151.99743
|
|
7780.0000 -128.32053 -119.97110 8.34943 2.89624 -120.36327 1154.90255
|
|
7785.0000 -127.13311 -119.75445 7.37866 2.92392 -119.96299 1135.71208
|
|
7790.0000 -128.04157 -119.27789 8.76368 2.96024 -119.43768 1204.43965
|
|
7795.0000 -128.14364 -120.01222 8.13141 2.97080 -119.28501 1181.35967
|
|
7800.0000 -128.44564 -121.11990 7.32575 2.86877 -120.76059 1100.25525
|
|
7805.0000 -127.16111 -118.70713 8.45397 2.91770 -120.05296 1138.26689
|
|
7810.0000 -128.94093 -121.32163 7.61930 2.89361 -120.40135 1130.43601
|
|
7815.0000 -128.78529 -119.62866 9.15663 2.95716 -119.48226 1211.23162
|
|
7820.0000 -129.22108 -120.95823 8.26285 2.99857 -118.88328 1231.11481
|
|
7825.0000 -127.35619 -119.83429 7.52189 2.86763 -120.77709 1104.65034
|
|
7830.0000 -130.15181 -122.05063 8.10119 2.85741 -120.92484 1114.27183
|
|
7835.0000 -128.81232 -121.54328 7.26904 2.78532 -121.96749 1042.01641
|
|
7840.0000 -128.69144 -121.62843 7.06302 2.83342 -121.27186 1088.47175
|
|
7845.0000 -128.58245 -121.90199 6.68046 2.76792 -122.21915 1029.60078
|
|
7850.0000 -129.04987 -122.36541 6.68446 2.70550 -123.12180 1000.61231
|
|
7855.0000 -128.53629 -120.33195 8.20434 2.86838 -120.76615 1126.69884
|
|
7860.0000 -128.89637 -121.07315 7.82322 2.93662 -119.77931 1145.32703
|
|
7865.0000 -129.21358 -119.63328 9.58030 2.88364 -120.54546 1153.36393
|
|
7870.0000 -129.24546 -121.80423 7.44123 2.87998 -120.59843 1143.23368
|
|
7875.0000 -129.00822 -120.66647 8.34174 2.80659 -121.65979 1047.03491
|
|
7880.0000 -127.71536 -120.27355 7.44181 2.83653 -121.22690 1124.72605
|
|
7885.0000 -128.13482 -118.96583 9.16898 2.91071 -120.15402 1128.60861
|
|
7890.0000 -129.36920 -121.15773 8.21148 2.91300 -120.12084 1166.61036
|
|
7895.0000 -131.22433 -121.92044 9.30389 2.85957 -120.89362 1120.68478
|
|
7900.0000 -129.83754 -121.85862 7.97891 2.79381 -121.84468 1072.63517
|
|
7905.0000 -130.01204 -120.78561 9.22643 2.81363 -121.55808 1106.74916
|
|
7910.0000 -127.57869 -119.93667 7.64202 2.88534 -120.52090 1154.89164
|
|
7915.0000 -127.65919 -119.16520 8.49399 2.92531 -119.94279 1163.40530
|
|
7920.0000 -127.62863 -119.46780 8.16083 2.93970 -119.73468 1146.70014
|
|
7925.0000 -130.45336 -121.07898 9.37438 2.87689 -120.64315 1145.31171
|
|
7930.0000 -127.17455 -119.31790 7.85665 2.87229 -120.70965 1113.56507
|
|
7935.0000 -128.06620 -119.89168 8.17452 2.96081 -119.42942 1213.70587
|
|
7940.0000 -127.06268 -118.07588 8.98681 2.99185 -118.98051 1193.51388
|
|
7945.0000 -129.33528 -122.51932 6.81596 2.83400 -121.26347 1101.50312
|
|
7950.0000 -130.79250 -122.09216 8.70034 2.73823 -122.64842 1041.61390
|
|
7955.0000 -129.50087 -121.71940 7.78148 2.79660 -121.80428 1086.18051
|
|
7960.0000 -132.00242 -123.38706 8.61536 2.75708 -122.37595 1044.91177
|
|
7965.0000 -130.70447 -122.29162 8.41285 2.68907 -123.35946 1015.29826
|
|
7970.0000 -128.37996 -120.60656 7.77340 2.78643 -121.95144 1057.05342
|
|
7975.0000 -129.86017 -120.76392 9.09625 2.88386 -120.54238 1112.12082
|
|
7980.0000 -128.69937 -120.84793 7.85144 2.87791 -120.62834 1075.13674
|
|
7985.0000 -129.26044 -121.49320 7.76724 2.83106 -121.30587 1118.50623
|
|
7990.0000 -128.58283 -120.46468 8.11815 2.91749 -120.05592 1188.66689
|
|
7995.0000 -129.29075 -120.99901 8.29173 2.86874 -120.76097 1111.78528
|
|
8000.0000 -128.81644 -118.72661 10.08982 2.91454 -120.09867 1096.88378
|
|
MELTING PROCESS: loop number 33 T-loop= 1141.0000000000000
|
|
main_MD> interactions number 33 at Temperature= 1141.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.87278 1.66138 3.29015
|
|
force_rgl> df(natom) 1.09962 2.14768 -0.78928
|
|
8005.0000 -128.53102 -120.48908 8.04195 2.91442 -120.10039 1138.67415
|
|
8010.0000 -127.57977 -119.76545 7.81432 2.91727 -120.05915 1177.19016
|
|
8015.0000 -127.10611 -118.68959 8.41651 2.96485 -119.37095 1170.30887
|
|
8020.0000 -129.62300 -121.80803 7.81497 2.89889 -120.32502 1179.24225
|
|
8025.0000 -127.89991 -120.50327 7.39665 2.85766 -120.92129 1090.66533
|
|
8030.0000 -129.10313 -120.82324 8.27989 2.90397 -120.25154 1172.20072
|
|
8035.0000 -128.02868 -120.11581 7.91286 2.90039 -120.30330 1170.74702
|
|
8040.0000 -127.42428 -119.06166 8.36262 2.98324 -119.10506 1200.21581
|
|
8045.0000 -127.98329 -118.48520 9.49809 2.96384 -119.38560 1226.09944
|
|
8050.0000 -127.12328 -119.87644 7.24683 2.93917 -119.74245 1191.06523
|
|
8055.0000 -129.14213 -121.69439 7.44774 2.84592 -121.09097 1125.58758
|
|
8060.0000 -127.83876 -120.48066 7.35809 2.88239 -120.56354 1115.15324
|
|
8065.0000 -130.02834 -121.45823 8.57011 2.84691 -121.07669 1097.86232
|
|
8070.0000 -128.99792 -119.52020 9.47772 2.94344 -119.68065 1135.63722
|
|
8075.0000 -128.00582 -118.60175 9.40407 2.93625 -119.78466 1179.80986
|
|
8080.0000 -128.00137 -121.06921 6.93215 2.96051 -119.43375 1233.70524
|
|
8085.0000 -127.90716 -121.26707 6.64009 2.81758 -121.50090 1068.80147
|
|
8090.0000 -126.44036 -119.22940 7.21096 3.01433 -118.65543 1206.85187
|
|
8095.0000 -129.24015 -123.22974 6.01041 2.77123 -122.17117 1074.58056
|
|
8100.0000 -131.03820 -122.11224 8.92596 2.71665 -122.96055 1017.71580
|
|
8105.0000 -128.16753 -120.16252 8.00501 2.83216 -121.28996 1110.50733
|
|
8110.0000 -129.46216 -121.23651 8.22566 2.92450 -119.95455 1118.17780
|
|
8115.0000 -129.72553 -122.44923 7.27630 2.80023 -121.75178 1060.47226
|
|
8120.0000 -128.79530 -121.03553 7.75977 2.83961 -121.18233 1122.87474
|
|
8125.0000 -127.69753 -120.62276 7.07477 2.95607 -119.49796 1198.61447
|
|
8130.0000 -127.94958 -120.03455 7.91503 2.93787 -119.76119 1156.20934
|
|
8135.0000 -127.47947 -119.40245 8.07702 2.91171 -120.13957 1125.71530
|
|
8140.0000 -128.23769 -120.76599 7.47170 2.88017 -120.59575 1105.07156
|
|
8145.0000 -127.90505 -119.25206 8.65299 2.97324 -119.24967 1205.60696
|
|
8150.0000 -127.53803 -120.87757 6.66046 2.93953 -119.73715 1147.21238
|
|
8155.0000 -128.99283 -119.36347 9.62935 2.93867 -119.74958 1182.89087
|
|
8160.0000 -128.05591 -119.64492 8.41099 2.94518 -119.65555 1217.42920
|
|
8165.0000 -126.75179 -119.09956 7.65223 2.96042 -119.43512 1082.93581
|
|
8170.0000 -127.68860 -118.55577 9.13284 2.91995 -120.02037 1162.84833
|
|
8175.0000 -128.75409 -119.82944 8.92465 2.92750 -119.91113 1187.63196
|
|
8180.0000 -128.27573 -120.23775 8.03798 2.91705 -120.06229 1183.85043
|
|
8185.0000 -125.72762 -118.11493 7.61269 2.89329 -120.40595 1114.23823
|
|
8190.0000 -125.63265 -116.25636 9.37629 3.10350 -117.36581 1329.02847
|
|
8195.0000 -127.14580 -118.35847 8.78733 3.12631 -117.03589 1351.73184
|
|
8200.0000 -127.66648 -120.51449 7.15199 2.99470 -118.93933 1216.24851
|
|
8205.0000 -126.72739 -118.38206 8.34533 2.97870 -119.17074 1147.04115
|
|
8210.0000 -128.34492 -121.13295 7.21197 3.04120 -118.26680 1195.66569
|
|
8215.0000 -125.83367 -118.82271 7.01097 2.87589 -120.65759 1133.84554
|
|
8220.0000 -128.69013 -120.21562 8.47452 2.97682 -119.19788 1223.38406
|
|
8225.0000 -129.46851 -119.47183 9.99668 2.96838 -119.32003 1171.30703
|
|
8230.0000 -127.43189 -119.21353 8.21836 2.96073 -119.43064 1173.32917
|
|
8235.0000 -129.74602 -120.73418 9.01183 2.90622 -120.21899 1127.68931
|
|
8240.0000 -128.21928 -121.28334 6.93595 2.91513 -120.09012 1145.87483
|
|
8245.0000 -129.94447 -121.16144 8.78304 2.84630 -121.08554 1113.28602
|
|
8250.0000 -127.60202 -119.48989 8.11213 2.87683 -120.64407 1101.09621
|
|
MELTING PROCESS: loop number 34 T-loop= 1166.0000000000000
|
|
main_MD> interactions number 34 at Temperature= 1166.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.67593 -0.55928 2.36507
|
|
force_rgl> df(natom) -0.65865 6.11797 1.06026
|
|
8255.0000 -128.09152 -119.88192 8.20961 2.91181 -120.13816 1146.67978
|
|
8260.0000 -128.68152 -120.92173 7.75979 2.94033 -119.72557 1155.57337
|
|
8265.0000 -126.02152 -118.36956 7.65196 2.98807 -119.03525 1191.22901
|
|
8270.0000 -126.98997 -118.36524 8.62473 3.05908 -118.00817 1252.99552
|
|
8275.0000 -128.40320 -118.81101 9.59219 3.01532 -118.64113 1152.44851
|
|
8280.0000 -127.22212 -118.81397 8.40815 2.93220 -119.84320 1141.04889
|
|
8285.0000 -126.61094 -117.76520 8.84574 3.06601 -117.90796 1231.14730
|
|
8290.0000 -126.95560 -119.71834 7.23726 2.97868 -119.17101 1206.63626
|
|
8295.0000 -127.60536 -119.36671 8.23865 2.91403 -120.10600 1161.66189
|
|
8300.0000 -128.68106 -121.28494 7.39612 2.92140 -119.99947 1183.98798
|
|
8305.0000 -129.62484 -121.03986 8.58499 2.84826 -121.05725 1124.11172
|
|
8310.0000 -126.67587 -118.08840 8.58747 2.95831 -119.46558 1183.47066
|
|
8315.0000 -128.01073 -119.53616 8.47456 3.08808 -117.58878 1247.33208
|
|
8320.0000 -126.67351 -118.10207 8.57144 3.01093 -118.70464 1241.26586
|
|
8325.0000 -127.39093 -120.06689 7.32404 3.00560 -118.78165 1198.59791
|
|
8330.0000 -129.10907 -121.38013 7.72894 2.81207 -121.58054 1045.83856
|
|
8335.0000 -127.50408 -118.75888 8.74520 2.88863 -120.47331 1124.17332
|
|
8340.0000 -128.23292 -120.91899 7.31393 2.90641 -120.21624 1148.88864
|
|
8345.0000 -128.79445 -120.69506 8.09939 2.89498 -120.38144 1140.45087
|
|
8350.0000 -127.71337 -119.46469 8.24867 2.94449 -119.66554 1160.86164
|
|
8355.0000 -128.10896 -119.72412 8.38484 2.97702 -119.19505 1223.28588
|
|
8360.0000 -130.13543 -119.77692 10.35851 2.91593 -120.07850 1183.51273
|
|
8365.0000 -128.73465 -120.96834 7.76631 2.87044 -120.73642 1120.14078
|
|
8370.0000 -127.27117 -119.65385 7.61732 2.93053 -119.86732 1136.58918
|
|
8375.0000 -126.01101 -118.03405 7.97696 2.97592 -119.21090 1183.64448
|
|
8380.0000 -127.05990 -118.92168 8.13822 3.06700 -117.89366 1250.03418
|
|
8385.0000 -128.67621 -119.50436 9.17185 2.99916 -118.87479 1203.77893
|
|
8390.0000 -129.39847 -119.49828 9.90019 2.91720 -120.06014 1186.38493
|
|
8395.0000 -128.27079 -119.37347 8.89732 2.90915 -120.17658 1152.48764
|
|
8400.0000 -127.69177 -119.42171 8.27007 2.96309 -119.39648 1227.16383
|
|
8405.0000 -130.00540 -121.87468 8.13072 2.92901 -119.88936 1164.67099
|
|
8410.0000 -128.81211 -120.63045 8.18166 2.82886 -121.33776 1101.82307
|
|
8415.0000 -128.70610 -121.20765 7.49846 2.85745 -120.92421 1133.47007
|
|
8420.0000 -128.11905 -119.58283 8.53622 2.97809 -119.17949 1203.12637
|
|
8425.0000 -127.37411 -118.98196 8.39215 2.99193 -118.97940 1208.44709
|
|
8430.0000 -127.75426 -119.55338 8.20089 2.92924 -119.88602 1163.54776
|
|
8435.0000 -125.71106 -118.54312 7.16795 2.96732 -119.33526 1182.67141
|
|
8440.0000 -129.85817 -120.89069 8.96748 2.90848 -120.18632 1149.46595
|
|
8445.0000 -128.22074 -119.58100 8.63974 2.87131 -120.72376 1207.35336
|
|
8450.0000 -129.55691 -120.45775 9.09916 2.91078 -120.15306 1156.61205
|
|
8455.0000 -128.83201 -119.73410 9.09791 2.96014 -119.43917 1170.96650
|
|
8460.0000 -127.96784 -119.56763 8.40021 2.95923 -119.45235 1157.16189
|
|
8465.0000 -128.29729 -120.39145 7.90584 2.89029 -120.44934 1157.14709
|
|
8470.0000 -129.30191 -121.16810 8.13381 2.91930 -120.02978 1142.91080
|
|
8475.0000 -128.42713 -121.09914 7.32798 2.89725 -120.34866 1146.16560
|
|
8480.0000 -127.39731 -120.93010 6.46721 2.82132 -121.44683 1063.51258
|
|
8485.0000 -127.14954 -120.63898 6.51056 2.85390 -120.97556 1122.94644
|
|
8490.0000 -129.60612 -122.51883 7.08729 2.83521 -121.24591 1103.81437
|
|
8495.0000 -129.90651 -120.95365 8.95285 2.76292 -122.29149 1067.50343
|
|
8500.0000 -128.55712 -120.26118 8.29594 2.83315 -121.27575 1105.63724
|
|
MELTING PROCESS: loop number 35 T-loop= 1191.0000000000000
|
|
main_MD> interactions number 35 at Temperature= 1191.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.46983 0.11291 0.53829
|
|
force_rgl> df(natom) -0.98045 -2.72633 1.98203
|
|
8505.0000 -125.39534 -116.79924 8.59610 2.96565 -119.35946 1200.41574
|
|
8510.0000 -126.56860 -118.08574 8.48286 3.14450 -116.77290 1280.28129
|
|
8515.0000 -127.81690 -118.73031 9.08659 3.03241 -118.39392 1233.51424
|
|
8520.0000 -126.10926 -117.11155 8.99771 3.06181 -117.96879 1276.60136
|
|
8525.0000 -126.47714 -117.53592 8.94122 3.12082 -117.11530 1302.81497
|
|
8530.0000 -128.20714 -120.40630 7.80084 2.98073 -119.14129 1234.25849
|
|
8535.0000 -128.47417 -121.60698 6.86719 2.88286 -120.55682 1120.73792
|
|
8540.0000 -127.38104 -118.92336 8.45769 2.98153 -119.12975 1159.03204
|
|
8545.0000 -127.69744 -120.51187 7.18556 2.92373 -119.96567 1124.29553
|
|
8550.0000 -129.51874 -122.96609 6.55265 2.79277 -121.85969 1090.81371
|
|
8555.0000 -129.52599 -122.65265 6.87334 2.72809 -122.79517 1021.31444
|
|
8560.0000 -129.98475 -122.17097 7.81378 2.75308 -122.43367 1030.30993
|
|
8565.0000 -128.56504 -122.11449 6.45054 2.75410 -122.41901 1027.52281
|
|
8570.0000 -130.05998 -122.69511 7.36488 2.78992 -121.90092 1062.39168
|
|
8575.0000 -129.53219 -121.02976 8.50244 2.78424 -121.98314 1063.96210
|
|
8580.0000 -128.89129 -119.77240 9.11889 2.84220 -121.14484 1074.92782
|
|
8585.0000 -127.23966 -119.86308 7.37658 2.88826 -120.47868 1144.60642
|
|
8590.0000 -127.26431 -120.11038 7.15393 2.97109 -119.28070 1227.32419
|
|
8595.0000 -126.58757 -119.42685 7.16072 2.86209 -120.85716 1117.87643
|
|
8600.0000 -127.43551 -119.89005 7.54546 2.89625 -120.36312 1092.28800
|
|
8605.0000 -128.75981 -120.42537 8.33445 2.91386 -120.10851 1130.94344
|
|
8610.0000 -128.33074 -119.72470 8.60604 3.00227 -118.82983 1234.44704
|
|
8615.0000 -129.19317 -121.62835 7.56482 2.90280 -120.26840 1154.91548
|
|
8620.0000 -129.66923 -120.84472 8.82451 2.84857 -121.05277 1120.62993
|
|
8625.0000 -128.75679 -119.64431 9.11248 2.92380 -119.96462 1154.76173
|
|
8630.0000 -127.97976 -119.60823 8.37153 2.93872 -119.74886 1141.94237
|
|
8635.0000 -126.84787 -118.67683 8.17104 3.01312 -118.67290 1232.55727
|
|
8640.0000 -128.81432 -121.81345 7.00086 2.95501 -119.51328 1199.41383
|
|
8645.0000 -129.56317 -121.51585 8.04732 2.77167 -122.16484 1066.89095
|
|
8650.0000 -128.05275 -119.00219 9.05057 2.96325 -119.39422 1210.94028
|
|
8655.0000 -127.43269 -117.65122 9.78147 3.05172 -118.11464 1254.25510
|
|
8660.0000 -127.50181 -119.26837 8.23344 2.98878 -119.02499 1197.35731
|
|
8665.0000 -128.67640 -120.79618 7.88023 2.88247 -120.56238 1137.61862
|
|
8670.0000 -128.25054 -120.11453 8.13601 2.87343 -120.69320 1101.53937
|
|
8675.0000 -128.61177 -120.19128 8.42049 2.87851 -120.61974 1119.36767
|
|
8680.0000 -129.67490 -121.84590 7.82900 2.88408 -120.53919 1153.65962
|
|
8685.0000 -128.38181 -119.90650 8.47531 2.92371 -119.96606 1147.97591
|
|
8690.0000 -128.18068 -120.54262 7.63806 2.91291 -120.12225 1152.75283
|
|
8695.0000 -128.12476 -118.37840 9.74636 2.92094 -120.00601 1172.38012
|
|
8700.0000 -129.95813 -121.01850 8.93964 2.97048 -119.28964 1205.64243
|
|
8705.0000 -129.51281 -121.21486 8.29795 2.88618 -120.50875 1165.30070
|
|
8710.0000 -129.52328 -123.19537 6.32791 2.79691 -121.79976 1052.98703
|
|
8715.0000 -129.53199 -120.66912 8.86287 2.82163 -121.44232 1108.44302
|
|
8720.0000 -129.19847 -122.00124 7.19723 2.87729 -120.63730 1116.40906
|
|
8725.0000 -128.45286 -120.52199 7.93087 2.79192 -121.87197 1046.51432
|
|
8730.0000 -130.17534 -120.86970 9.30563 2.90676 -120.21118 1173.84820
|
|
8735.0000 -129.20211 -120.98731 8.21479 2.83407 -121.26237 1101.05420
|
|
8740.0000 -128.75316 -121.25607 7.49708 2.88189 -120.57083 1148.82172
|
|
8745.0000 -129.39974 -120.35838 9.04136 2.85796 -120.91694 1111.05487
|
|
8750.0000 -128.38316 -118.82260 9.56055 2.97387 -119.24050 1174.99367
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 10 [min], 2.8878467 [s].
|
|
main_MD> Deallocating global variables
|