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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_94/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_94.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 94 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 94 9400
main_MD> Size of nv and nvoiz: 94 9400
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 94
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.14607262599790971 7.1261920619547642E-002 -5.5815138059338756E-002 initial drift of cluster / NP1 for coalescence
init> 0.32128475635056886 0.33539925943772497 0.30756380962569208 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5673617383976492E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72227 -0.19969 -2.60283
force_rgl> df(natom) 0.52830 -0.54408 3.34000
preparo> THERMALIZATION PROCESS AT 1107.4861325550205
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -213.09465611872292 14.940856307637871 -228.03551242636078 6.5174310818209293E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 32
FREEZING PROCESS: loop number 1 T-loop= 1079.0000000000000
main_MD> interactions number 1 at Temperature= 1079.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.07642 -2.79852 -4.10490
force_rgl> df(natom) -5.01032 -0.60163 -5.65064
5.0000 -225.98067 -212.56630 13.41437 3.14758 -212.22780 1064.01176
10.0000 -225.06874 -212.42854 12.64020 3.13453 -212.49755 1076.27930
15.0000 -225.93082 -213.78117 12.14965 3.10559 -213.09589 1072.31656
20.0000 -224.35621 -212.63136 11.72485 3.13122 -212.56596 1056.08253
25.0000 -223.77276 -209.19961 14.57315 3.17349 -211.69211 1102.11887
30.0000 -223.64778 -209.69070 13.95708 3.26931 -209.71115 1145.80479
35.0000 -224.92414 -208.49452 16.42962 3.25767 -209.95193 1171.75023
40.0000 -224.59480 -210.77851 13.81630 3.27316 -209.63170 1194.92196
45.0000 -227.81337 -214.23660 13.57676 3.15410 -212.09311 1098.16581
50.0000 -228.03750 -213.84641 14.19108 3.02259 -214.81181 1014.07011
55.0000 -227.83743 -215.05550 12.78193 3.04299 -214.39008 1050.07801
60.0000 -226.31154 -213.00315 13.30840 3.01166 -215.03789 1023.25847
65.0000 -223.71118 -211.27526 12.43592 3.12490 -212.69666 1114.98621
70.0000 -224.18326 -210.84931 13.33395 3.22239 -210.68130 1150.30267
75.0000 -223.79320 -210.63148 13.16172 3.19272 -211.29451 1138.26143
80.0000 -222.91065 -209.84276 13.06789 3.25982 -209.90739 1169.01142
85.0000 -225.29723 -211.45857 13.83866 3.27093 -209.67771 1155.19501
90.0000 -226.55632 -214.41689 12.13943 3.14042 -212.37579 1102.16502
95.0000 -225.87952 -212.57734 13.30218 3.09165 -213.38406 1067.85268
100.0000 -226.51497 -213.21690 13.29807 3.12588 -212.67648 1073.08339
105.0000 -228.71129 -214.88751 13.82378 3.01722 -214.92277 1004.16024
110.0000 -229.65631 -215.60540 14.05091 3.06252 -213.98636 1025.54002
115.0000 -226.58264 -214.30007 12.28257 3.01617 -214.94452 1032.98440
120.0000 -226.46317 -213.27693 13.18625 3.05115 -214.22140 1037.42917
125.0000 -227.50805 -214.72858 12.77947 3.08896 -213.43962 1060.87856
130.0000 -226.28828 -212.83178 13.45650 3.07542 -213.71959 1037.63299
135.0000 -225.87853 -212.91164 12.96689 3.11005 -213.00376 1055.42333
140.0000 -225.65645 -212.94311 12.71334 3.08782 -213.46331 1068.97449
145.0000 -225.86790 -211.10917 14.75873 3.17568 -211.64689 1131.83839
150.0000 -228.01293 -215.90780 12.10513 3.03839 -214.48511 1059.40125
155.0000 -226.34574 -212.61335 13.73240 3.09136 -213.39007 1076.75562
160.0000 -226.12899 -213.20253 12.92646 3.08550 -213.51132 1092.43144
165.0000 -223.81555 -210.96631 12.84924 3.15044 -212.16863 1101.66200
170.0000 -227.38019 -214.83932 12.54088 3.07857 -213.65450 1048.56386
175.0000 -224.96148 -211.03272 13.92876 3.13041 -212.58278 1060.63833
180.0000 -225.27272 -211.78362 13.48910 3.18377 -211.47973 1106.53497
185.0000 -227.22779 -211.83612 15.39167 3.21662 -210.80052 1126.06078
190.0000 -224.07950 -210.93919 13.14032 3.14408 -212.30014 1104.95103
195.0000 -223.93062 -209.99209 13.93853 3.26532 -209.79363 1160.83934
200.0000 -225.59859 -212.98104 12.61755 3.20648 -211.01018 1135.59634
205.0000 -224.29070 -209.97455 14.31616 3.21572 -210.81920 1143.68217
210.0000 -224.99302 -209.35225 15.64077 3.26953 -209.70675 1133.59805
215.0000 -223.95398 -211.09734 12.85664 3.30830 -208.90517 1181.41742
220.0000 -224.58675 -211.02861 13.55814 3.14563 -212.26807 1085.77404
225.0000 -224.07143 -210.77963 13.29180 3.20461 -211.04881 1124.45979
230.0000 -223.38532 -209.54258 13.84274 3.21603 -210.81280 1149.93290
235.0000 -226.39420 -213.53285 12.86135 3.19661 -211.21425 1126.02884
240.0000 -224.28151 -210.55103 13.73048 3.17470 -211.66721 1094.64274
245.0000 -223.36680 -207.01362 16.35318 3.36008 -207.83459 1204.81835
250.0000 -225.63214 -212.44086 13.19128 3.26358 -209.82966 1167.24039
FREEZING PROCESS: loop number 2 T-loop= 1054.0000000000000
main_MD> interactions number 2 at Temperature= 1054.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.40444 -2.84152 0.18311
force_rgl> df(natom) 0.64467 -0.80386 -2.35847
255.0000 -225.91666 -212.94544 12.97122 3.17012 -211.76181 1120.84066
260.0000 -225.84773 -212.67331 13.17442 3.09310 -213.35419 1085.25561
265.0000 -226.25326 -212.59735 13.65591 3.12158 -212.76530 1073.35269
270.0000 -226.77070 -213.47165 13.29905 3.13578 -212.47168 1082.90190
275.0000 -226.50221 -212.89631 13.60590 3.13837 -212.41821 1107.25377
280.0000 -224.85394 -213.09142 11.76252 3.15795 -212.01342 1082.64252
285.0000 -225.99542 -212.93853 13.05689 3.08820 -213.45553 1080.69245
290.0000 -227.18321 -215.85312 11.33009 3.09240 -213.36853 1072.67373
295.0000 -227.01082 -213.51258 13.49824 2.97148 -215.86856 962.21350
300.0000 -227.94751 -213.03413 14.91338 3.10338 -213.14160 1069.88079
305.0000 -225.63293 -213.92825 11.70467 3.09705 -213.27238 1076.73915
310.0000 -226.26645 -213.80941 12.45704 3.07881 -213.64951 1029.27239
315.0000 -224.87295 -210.07669 14.79626 3.12409 -212.71354 1071.53346
320.0000 -227.31237 -213.17860 14.13378 3.12017 -212.79441 1086.79558
325.0000 -226.28376 -213.46315 12.82061 3.05569 -214.12755 1013.21989
330.0000 -227.08510 -214.07244 13.01266 3.11406 -212.92071 1085.66337
335.0000 -227.24282 -213.93649 13.30633 3.07229 -213.78432 1054.50877
340.0000 -226.79294 -214.39899 12.39395 3.01988 -214.86789 1024.83305
345.0000 -226.22404 -212.12549 14.09855 3.09452 -213.32479 1076.61006
350.0000 -226.31650 -213.99451 12.32199 3.07749 -213.67687 1046.42794
355.0000 -225.33366 -212.29023 13.04344 3.14030 -212.37829 1090.42446
360.0000 -227.24179 -212.85226 14.38953 3.12193 -212.75803 1053.69653
365.0000 -226.23015 -214.77425 11.45590 3.06428 -213.94998 1063.49204
370.0000 -227.02733 -216.14523 10.88210 3.03539 -214.54721 1055.14475
375.0000 -227.74888 -215.69159 12.05729 2.92907 -216.74515 951.47996
380.0000 -229.36472 -216.42980 12.93492 2.91194 -217.09928 959.35493
385.0000 -227.83819 -215.02229 12.81590 3.03454 -214.56479 1031.73152
390.0000 -228.35534 -216.84692 11.50842 2.95688 -216.17023 979.03330
395.0000 -229.93496 -218.76147 11.17349 2.90585 -217.22521 971.66901
400.0000 -228.35676 -217.82008 10.53667 2.90377 -217.26822 984.04895
405.0000 -226.61909 -213.24152 13.37757 2.96707 -215.95966 974.40391
410.0000 -227.27632 -212.83043 14.44588 3.07657 -213.69578 1066.92005
415.0000 -225.20790 -211.85585 13.35205 3.15501 -212.07420 1103.32446
420.0000 -226.29514 -213.93638 12.35876 3.15155 -212.14577 1098.28391
425.0000 -226.25124 -212.46054 13.79070 3.11204 -212.96252 1111.52130
430.0000 -226.96577 -214.38676 12.57901 3.09078 -213.40216 1065.24169
435.0000 -224.72915 -211.95717 12.77199 3.09071 -213.40348 1044.23664
440.0000 -224.84124 -211.20993 13.63131 3.21574 -210.81870 1128.16587
445.0000 -227.30184 -214.64070 12.66113 3.08249 -213.57355 1044.27118
450.0000 -226.82566 -214.84651 11.97915 2.96501 -216.00232 988.01768
455.0000 -224.00210 -210.73046 13.27164 3.15455 -212.08378 1062.88328
460.0000 -223.22245 -210.15221 13.07024 3.22303 -210.66795 1128.58883
465.0000 -225.31865 -210.67633 14.64232 3.23710 -210.37716 1154.68604
470.0000 -227.15102 -212.58721 14.56381 3.18015 -211.55438 1117.67958
475.0000 -227.14364 -212.69145 14.45219 3.10388 -213.13126 1087.79376
480.0000 -226.44488 -212.28344 14.16144 3.09365 -213.34285 1087.88411
485.0000 -225.97939 -214.58761 11.39178 3.04287 -214.39261 1042.57151
490.0000 -225.17509 -211.87342 13.30166 3.07311 -213.76741 1028.87951
495.0000 -225.74490 -214.47659 11.26831 3.06064 -214.02519 1042.40953
500.0000 -226.59314 -215.64402 10.94912 3.01402 -214.98908 1028.73330
FREEZING PROCESS: loop number 3 T-loop= 1029.0000000000000
main_MD> interactions number 3 at Temperature= 1029.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.83287 2.13091 0.59562
force_rgl> df(natom) -2.76753 2.37922 -0.62881
505.0000 -227.63840 -215.55568 12.08271 2.99892 -215.30109 1005.54655
510.0000 -226.16351 -212.79035 13.37315 3.08333 -213.55604 1043.62272
515.0000 -228.42058 -214.41850 14.00208 3.04656 -214.31619 1020.51586
520.0000 -227.78080 -215.86198 11.91882 3.00575 -215.16004 1017.46384
525.0000 -227.74510 -215.88184 11.86326 2.98840 -215.51873 986.84149
530.0000 -227.05808 -215.37006 11.68802 3.05679 -214.10472 1044.51624
535.0000 -226.25879 -215.19125 11.06754 2.98993 -215.48706 984.62839
540.0000 -227.96754 -216.29488 11.67266 2.98304 -215.62942 977.89795
545.0000 -224.29185 -212.35223 11.93962 3.09914 -213.22916 1065.67442
550.0000 -229.21227 -216.43853 12.77374 3.07974 -213.63034 1052.98777
555.0000 -227.01250 -215.90762 11.10489 2.95703 -216.16723 979.39091
560.0000 -225.04911 -213.48607 11.56305 2.99113 -215.46219 993.12456
565.0000 -226.37030 -214.12599 12.24431 3.04442 -214.36053 1012.84141
570.0000 -228.26099 -216.19816 12.06283 2.95934 -216.11949 982.87989
575.0000 -228.11326 -216.58823 11.52503 2.98182 -215.65466 999.54771
580.0000 -227.16937 -214.80137 12.36800 2.96936 -215.91238 979.22981
585.0000 -228.80079 -215.34946 13.45133 3.03122 -214.63346 1025.84162
590.0000 -222.11903 -209.79531 12.32372 3.14375 -212.30708 1098.42772
595.0000 -225.55522 -211.20510 14.35012 3.17251 -211.71244 1086.82782
600.0000 -226.76672 -214.63135 12.13537 3.11668 -212.86670 1067.63209
605.0000 -226.69652 -212.14391 14.55260 3.07306 -213.76839 1069.17107
610.0000 -227.75884 -213.80852 13.95032 3.06186 -214.00005 1064.06174
615.0000 -224.99134 -211.34368 13.64765 3.13095 -212.57153 1059.60652
620.0000 -225.68943 -213.04929 12.64014 3.21052 -210.92671 1125.54298
625.0000 -226.73785 -214.66417 12.07368 3.10002 -213.21109 1062.12023
630.0000 -227.48767 -217.01632 10.47135 3.02374 -214.78800 1016.41926
635.0000 -227.82169 -218.02309 9.79860 2.91362 -217.06462 943.27450
640.0000 -227.78708 -215.13090 12.65617 2.91142 -217.11019 961.64873
645.0000 -226.78616 -214.35642 12.42974 3.10548 -213.09812 1068.01249
650.0000 -226.19683 -214.19647 12.00036 3.03089 -214.64016 1039.69729
655.0000 -227.02213 -214.54642 12.47571 3.04088 -214.43376 1018.17403
660.0000 -226.89834 -213.98697 12.91137 3.03074 -214.64344 1004.81048
665.0000 -225.13163 -211.45642 13.67521 3.13842 -212.41725 1090.41719
670.0000 -226.38653 -214.67494 11.71159 3.02575 -214.74648 1021.59380
675.0000 -226.71915 -214.73570 11.98345 3.07367 -213.75582 1044.34374
680.0000 -225.23962 -211.78992 13.44970 3.07930 -213.63946 1053.01392
685.0000 -224.84441 -210.29936 14.54504 3.17668 -211.62619 1132.80276
690.0000 -225.86656 -213.91200 11.95456 3.14278 -212.32711 1082.04602
695.0000 -226.59408 -214.15539 12.43869 3.05738 -214.09249 1015.22105
700.0000 -226.02688 -214.02286 12.00402 3.00848 -215.10351 1034.48943
705.0000 -226.97838 -213.41116 13.56721 3.10718 -213.06308 1054.21670
710.0000 -226.97976 -213.63566 13.34410 3.08771 -213.46551 1074.79284
715.0000 -226.43782 -214.48162 11.95620 3.07499 -213.72848 1056.88218
720.0000 -226.10031 -213.95340 12.14691 3.03654 -214.52343 1031.97792
725.0000 -226.76398 -213.45021 13.31377 3.06558 -213.92300 1049.76029
730.0000 -228.34283 -214.53658 13.80625 3.04211 -214.40837 1044.68988
735.0000 -227.53698 -215.18231 12.35467 2.94911 -216.33101 944.75636
740.0000 -227.82733 -216.22528 11.60205 2.97680 -215.75854 992.68721
745.0000 -229.82624 -217.44289 12.38335 2.90710 -217.19948 959.47544
750.0000 -228.06443 -216.37902 11.68541 2.94863 -216.34080 973.17631
FREEZING PROCESS: loop number 4 T-loop= 1004.0000000000000
main_MD> interactions number 4 at Temperature= 1004.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81149 0.55914 -1.41266
force_rgl> df(natom) -2.27896 -1.17261 0.46505
755.0000 -229.11067 -217.14263 11.96803 2.92089 -216.91436 977.79299
760.0000 -227.29096 -216.51113 10.77983 3.02160 -214.83221 1036.56887
765.0000 -227.50189 -215.85027 11.65162 2.92485 -216.83241 953.80388
770.0000 -226.31750 -214.19824 12.11925 2.96321 -216.03951 969.72728
775.0000 -229.05318 -218.13139 10.92178 2.93493 -216.62418 964.21853
780.0000 -228.50354 -217.20380 11.29974 2.86965 -217.97365 898.50579
785.0000 -228.64123 -216.64839 11.99284 2.88634 -217.62865 931.10055
790.0000 -229.88717 -216.38367 13.50349 2.91291 -217.07938 944.16655
795.0000 -227.89898 -213.60814 14.29085 3.05325 -214.17804 1031.47279
800.0000 -226.28374 -214.33197 11.95177 3.05221 -214.19937 1014.13944
805.0000 -226.69953 -213.34914 13.35039 3.02652 -214.73066 1021.24068
810.0000 -226.55486 -214.42923 12.12564 3.07715 -213.68390 1062.17771
815.0000 -226.15608 -214.72698 11.42910 2.95654 -216.17736 989.34044
820.0000 -228.12090 -215.24577 12.87513 3.02442 -214.77401 1034.18683
825.0000 -225.13455 -211.60120 13.53334 3.09316 -213.35298 1071.04087
830.0000 -226.16854 -213.94327 12.22527 3.10289 -213.15178 1071.65923
835.0000 -225.17700 -213.62663 11.55036 3.12034 -212.79091 1059.67379
840.0000 -228.32666 -214.25031 14.07635 3.07990 -213.62710 1028.04166
845.0000 -227.94652 -214.75145 13.19507 3.08552 -213.51091 1041.18621
850.0000 -226.24663 -213.46013 12.78650 3.02058 -214.85334 1040.04149
855.0000 -227.84245 -214.69355 13.14891 3.08508 -213.51994 1044.64880
860.0000 -227.31261 -216.25416 11.05846 2.99545 -215.37293 989.92456
865.0000 -228.25121 -217.66754 10.58367 2.96858 -215.92835 973.12634
870.0000 -226.54888 -216.15078 10.39810 2.88170 -217.72450 946.65069
875.0000 -226.69881 -213.95126 12.74755 3.05662 -214.10837 1048.40435
880.0000 -229.80673 -215.28016 14.52657 3.02287 -214.80605 1030.76911
885.0000 -229.38438 -218.22975 11.15462 2.92715 -216.78490 980.35149
890.0000 -228.02173 -216.74284 11.27890 2.86817 -218.00424 916.99356
895.0000 -226.07064 -214.50699 11.56365 2.97025 -215.89390 974.38280
900.0000 -229.03575 -217.31948 11.71627 2.98256 -215.63946 1012.81956
905.0000 -229.96399 -220.49366 9.47033 2.86646 -218.03966 944.90178
910.0000 -227.94642 -217.44439 10.50203 2.86648 -218.03910 945.37140
915.0000 -229.97420 -217.46261 12.51160 2.91271 -217.08344 954.37295
920.0000 -227.50154 -215.78725 11.71429 2.92944 -216.73750 966.71883
925.0000 -229.79176 -214.41739 15.37437 2.96065 -216.09229 989.82523
930.0000 -226.48201 -214.88002 11.60199 3.03962 -214.45981 1015.46533
935.0000 -229.20068 -218.04041 11.16027 2.98322 -215.62573 997.09345
940.0000 -230.95715 -218.17874 12.77841 2.86261 -218.11918 913.06206
945.0000 -228.74079 -218.18217 10.55862 2.86446 -218.08104 916.84844
950.0000 -228.46521 -217.85631 10.60890 2.82838 -218.82686 894.53386
955.0000 -226.05722 -214.14060 11.91662 2.98136 -215.66417 992.45352
960.0000 -226.27260 -215.25347 11.01912 3.02110 -214.84274 983.10399
965.0000 -226.06430 -213.96419 12.10011 3.06094 -214.01903 1042.02737
970.0000 -225.74553 -215.00505 10.74047 3.08559 -213.50948 1052.98932
975.0000 -226.16258 -215.94349 10.21909 2.99349 -215.41340 999.35586
980.0000 -225.83247 -214.01672 11.81575 2.99960 -215.28702 978.58919
985.0000 -226.50454 -214.05804 12.44650 3.06598 -213.91479 1032.52473
990.0000 -227.15235 -215.37648 11.77587 3.04942 -214.25711 1034.65878
995.0000 -228.36112 -215.45466 12.90646 3.03593 -214.53596 1037.64016
1000.0000 -227.60068 -214.11817 13.48251 2.96025 -216.10073 978.12317
FREEZING PROCESS: loop number 5 T-loop= 979.00000000000000
main_MD> interactions number 5 at Temperature= 979.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19143 -0.76572 1.72079
force_rgl> df(natom) -3.26191 -3.70769 -3.38178
1005.0000 -227.02565 -216.33824 10.68742 3.03721 -214.50965 1018.94496
1010.0000 -229.65664 -218.02762 11.62903 2.88070 -217.74527 941.32032
1015.0000 -225.66395 -211.40301 14.26094 3.02564 -214.74882 1017.58398
1020.0000 -226.98843 -215.39386 11.59457 3.08944 -213.42987 1074.35456
1025.0000 -229.41782 -217.12035 12.29747 2.91535 -217.02889 955.78174
1030.0000 -227.09627 -215.91108 11.18518 2.97451 -215.80576 977.89292
1035.0000 -229.71675 -218.89488 10.82188 2.87292 -217.90615 921.15034
1040.0000 -226.64364 -215.35409 11.28955 2.89965 -217.35349 937.75360
1045.0000 -228.00464 -216.00293 12.00171 2.98872 -215.51201 993.36407
1050.0000 -227.78376 -216.51171 11.27205 3.01395 -214.99035 1014.33784
1055.0000 -228.07545 -215.51613 12.55932 2.92872 -216.75256 975.24413
1060.0000 -227.03350 -216.45881 10.57469 2.98384 -215.61283 1006.66447
1065.0000 -228.32470 -216.26552 12.05918 2.90949 -217.14996 955.90805
1070.0000 -228.00613 -217.73336 10.27277 2.92487 -216.83201 962.95878
1075.0000 -228.37116 -218.42044 9.95072 2.89866 -217.37400 925.23753
1080.0000 -229.59969 -216.17294 13.42675 2.92977 -216.73081 983.05097
1085.0000 -227.67534 -216.87368 10.80166 2.91163 -217.10575 949.03354
1090.0000 -227.12532 -216.97791 10.14741 2.90620 -217.21797 918.58115
1095.0000 -228.28699 -217.36316 10.92382 2.93029 -216.72004 938.77507
1100.0000 -230.41684 -218.24319 12.17365 2.84661 -218.44999 902.14284
1105.0000 -229.91769 -219.74732 10.17037 2.83641 -218.66079 925.14367
1110.0000 -229.11231 -218.11511 10.99720 2.85553 -218.26552 920.16308
1115.0000 -229.51194 -218.33182 11.18013 2.85964 -218.18065 923.25995
1120.0000 -228.60212 -217.41347 11.18865 2.91854 -216.96302 972.06105
1125.0000 -226.34816 -214.69963 11.64853 3.00235 -215.23018 1007.36918
1130.0000 -227.66009 -215.51045 12.14964 2.97831 -215.72726 1005.04312
1135.0000 -229.68982 -218.56383 11.12598 2.89683 -217.41178 940.05113
1140.0000 -227.81486 -215.10554 12.70932 2.92405 -216.84900 972.87448
1145.0000 -226.42795 -214.13461 12.29335 3.01503 -214.96810 1031.63294
1150.0000 -227.16289 -213.57670 13.58619 3.07125 -213.80583 1069.38469
1155.0000 -226.52907 -214.77576 11.75332 3.09422 -213.33091 1068.13004
1160.0000 -229.15203 -218.12401 11.02802 2.95743 -216.15892 979.18146
1165.0000 -229.40638 -217.83105 11.57534 2.87443 -217.87490 942.33996
1170.0000 -227.67577 -217.04203 10.63374 2.85554 -218.26534 912.18694
1175.0000 -229.37070 -217.73669 11.63402 2.82623 -218.87124 901.58624
1180.0000 -228.79169 -218.52246 10.26923 2.84679 -218.44620 908.56552
1185.0000 -228.23632 -217.48725 10.74906 2.88622 -217.63115 954.43815
1190.0000 -226.54528 -215.11371 11.43157 2.92949 -216.73662 964.17222
1195.0000 -227.51702 -216.23509 11.28193 2.98280 -215.63453 977.14799
1200.0000 -227.15809 -216.97561 10.18248 2.94007 -216.51782 939.06519
1205.0000 -229.06407 -217.48656 11.57751 2.89123 -217.52751 960.11450
1210.0000 -231.33164 -218.86037 12.47128 2.91344 -217.06845 959.83311
1215.0000 -230.05156 -219.32395 10.72761 2.88933 -217.56674 925.33307
1220.0000 -228.25370 -217.98347 10.27023 2.86317 -218.10761 910.88780
1225.0000 -229.58215 -217.26231 12.31984 2.90145 -217.31633 937.41539
1230.0000 -226.77076 -214.42092 12.34983 2.94727 -216.36898 987.16247
1235.0000 -228.59706 -217.26630 11.33076 2.93800 -216.56056 951.58888
1240.0000 -227.35378 -215.16318 12.19060 2.98566 -215.57521 975.62541
1245.0000 -227.05279 -214.10835 12.94443 3.04650 -214.31743 1011.76075
1250.0000 -226.43856 -214.13400 12.30457 3.02520 -214.75788 1040.76213
FREEZING PROCESS: loop number 6 T-loop= 954.00000000000000
main_MD> interactions number 6 at Temperature= 954.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54780 6.30592 -6.33787
force_rgl> df(natom) 4.75283 0.79856 0.49423
1255.0000 -229.62739 -216.66975 12.95764 2.94390 -216.43859 978.54962
1260.0000 -228.36207 -216.56597 11.79610 2.95061 -216.29989 968.94187
1265.0000 -227.24685 -216.16365 11.08320 2.97935 -215.70578 989.94166
1270.0000 -228.90983 -217.69699 11.21284 2.97386 -215.81935 975.45799
1275.0000 -230.31067 -217.94220 12.36846 2.85248 -218.32873 934.64063
1280.0000 -229.03452 -217.27240 11.76212 2.92567 -216.81560 957.87183
1285.0000 -229.01014 -218.61176 10.39838 2.84980 -218.38405 938.45312
1290.0000 -227.96834 -215.50458 12.46376 2.93596 -216.60281 975.81036
1295.0000 -228.22998 -217.73156 10.49842 2.94239 -216.46981 970.26747
1300.0000 -229.45747 -218.53575 10.92172 2.89904 -217.36616 942.18591
1305.0000 -230.03335 -218.18754 11.84581 2.83351 -218.72091 908.43920
1310.0000 -229.39930 -219.44919 9.95012 2.82948 -218.80415 903.04694
1315.0000 -229.36310 -216.30949 13.05361 2.87485 -217.86620 934.56409
1320.0000 -227.35057 -216.21185 11.13872 2.94120 -216.49456 982.44413
1325.0000 -225.58142 -214.11662 11.46480 2.95782 -216.15087 1022.98629
1330.0000 -229.72493 -216.84666 12.87827 2.88998 -217.55339 956.42746
1335.0000 -229.51980 -215.55028 13.96952 2.97550 -215.78529 1002.25542
1340.0000 -227.45775 -216.37454 11.08321 2.98541 -215.58049 987.84021
1345.0000 -229.77683 -219.41995 10.35687 2.92509 -216.82750 934.99650
1350.0000 -229.43711 -218.84598 10.59113 2.83584 -218.67261 875.25286
1355.0000 -230.13193 -219.28387 10.84806 2.88502 -217.65586 947.04262
1360.0000 -229.03981 -219.43222 9.60759 2.86159 -218.14024 920.21709
1365.0000 -230.38234 -218.18710 12.19524 2.79861 -219.44235 886.45362
1370.0000 -230.49273 -219.44465 11.04808 2.81523 -219.09871 898.50094
1375.0000 -230.61583 -219.03114 11.58470 2.83697 -218.64920 895.46775
1380.0000 -229.61998 -216.89152 12.72846 2.87442 -217.87512 916.12496
1385.0000 -227.65619 -217.54623 10.10997 2.88904 -217.57282 935.31022
1390.0000 -229.23579 -219.16987 10.06592 2.84491 -218.48520 894.77476
1395.0000 -231.21420 -219.94578 11.26842 2.79407 -219.53609 889.66702
1400.0000 -231.62000 -220.21381 11.40619 2.80401 -219.33069 908.10371
1405.0000 -228.49669 -218.18466 10.31203 2.81421 -219.11991 899.48591
1410.0000 -225.48510 -212.02204 13.46306 2.99911 -215.29735 1026.84882
1415.0000 -227.28311 -215.39841 11.88470 3.06534 -213.92811 1034.73764
1420.0000 -229.14575 -218.64768 10.49806 2.94453 -216.42565 967.87306
1425.0000 -227.56601 -215.35167 12.21433 2.92059 -216.92047 939.67086
1430.0000 -227.92079 -216.15997 11.76081 2.96269 -216.05027 960.30351
1435.0000 -226.02539 -215.33970 10.68568 3.05756 -214.08882 1059.86937
1440.0000 -229.42439 -219.69565 9.72874 2.88681 -217.61895 929.96330
1445.0000 -228.74880 -218.89409 9.85471 2.83094 -218.77395 881.89134
1450.0000 -229.86735 -219.05054 10.81681 2.82581 -218.88009 910.04021
1455.0000 -229.35387 -218.77947 10.57440 2.82031 -218.99378 901.95525
1460.0000 -227.38486 -217.05673 10.32813 2.89861 -217.37501 940.24596
1465.0000 -229.96957 -219.40713 10.56244 2.84585 -218.46579 914.12563
1470.0000 -229.07357 -217.08606 11.98751 2.85090 -218.36129 921.79403
1475.0000 -227.67556 -216.95079 10.72477 2.91764 -216.98150 955.94947
1480.0000 -229.67545 -219.24266 10.43278 2.83477 -218.69482 899.37209
1485.0000 -230.91049 -220.37458 10.53591 2.75388 -220.36709 865.50885
1490.0000 -230.02230 -218.48071 11.54159 2.86566 -218.05618 929.83281
1495.0000 -229.33970 -218.17630 11.16340 2.85177 -218.34337 913.54422
1500.0000 -227.19731 -215.52670 11.67061 2.96312 -216.04132 967.48916
FREEZING PROCESS: loop number 7 T-loop= 929.00000000000000
main_MD> interactions number 7 at Temperature= 929.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.69808 0.62608 0.13021
force_rgl> df(natom) 0.01776 -0.83828 1.13977
1505.0000 -230.04680 -218.24738 11.79941 2.91471 -217.04202 950.10548
1510.0000 -229.21426 -217.34508 11.86918 2.85906 -218.19259 919.21780
1515.0000 -230.53847 -218.28329 12.25518 2.90198 -217.30521 957.17927
1520.0000 -231.95725 -221.03883 10.91842 2.76401 -220.15769 875.09597
1525.0000 -230.48581 -219.49207 10.99374 2.78786 -219.66450 868.88823
1530.0000 -231.09145 -221.39557 9.69589 2.73937 -220.66695 867.40297
1535.0000 -230.04404 -218.90554 11.13850 2.79322 -219.55370 863.22052
1540.0000 -228.31684 -215.40625 12.91059 2.92046 -216.92316 958.19591
1545.0000 -227.84870 -215.34136 12.50734 2.98931 -215.49984 1006.78594
1550.0000 -227.74870 -215.96447 11.78423 2.94438 -216.42872 984.13831
1555.0000 -229.27275 -218.86431 10.40844 2.90432 -217.25695 931.73070
1560.0000 -228.71364 -218.81051 9.90313 2.82977 -218.79810 887.83310
1565.0000 -230.09438 -219.10925 10.98512 2.80953 -219.21660 883.56508
1570.0000 -226.66706 -217.97459 8.69247 2.81819 -219.03748 896.94974
1575.0000 -231.27247 -219.91938 11.35309 2.86313 -218.10853 906.91752
1580.0000 -230.97963 -219.89317 11.08647 2.77252 -219.98170 864.07638
1585.0000 -231.87940 -220.54107 11.33833 2.75825 -220.27672 856.95039
1590.0000 -229.55036 -219.03348 10.51687 2.79019 -219.61645 878.54869
1595.0000 -228.58099 -217.72756 10.85343 2.83628 -218.66356 912.65162
1600.0000 -228.67570 -216.53071 12.14500 2.93938 -216.53218 987.55593
1605.0000 -229.68137 -217.38437 12.29700 2.95124 -216.28699 991.70718
1610.0000 -230.35231 -221.28511 9.06720 2.73031 -220.85425 851.52803
1615.0000 -232.79668 -221.45189 11.34479 2.68608 -221.76875 831.33408
1620.0000 -230.23525 -220.02735 10.20790 2.74551 -220.54017 849.21504
1625.0000 -229.04555 -217.96955 11.07601 2.80648 -219.27964 913.89933
1630.0000 -230.33253 -219.47638 10.85615 2.83723 -218.64383 898.68865
1635.0000 -229.77184 -217.20233 12.56950 2.89300 -217.49089 953.46984
1640.0000 -228.66832 -216.47912 12.18920 2.92983 -216.72951 960.29803
1645.0000 -227.26973 -217.65046 9.61927 2.91674 -217.00023 936.51848
1650.0000 -229.50390 -217.57753 11.92637 2.93496 -216.62339 974.31576
1655.0000 -229.94760 -217.93593 12.01168 2.87614 -217.83952 938.64278
1660.0000 -230.63894 -219.31263 11.32631 2.87847 -217.79139 944.01602
1665.0000 -228.88081 -216.63729 12.24352 2.89075 -217.53743 940.03994
1670.0000 -229.37717 -215.63311 13.74406 2.89145 -217.52306 917.70527
1675.0000 -227.59844 -217.07755 10.52089 2.96134 -216.07819 959.73760
1680.0000 -231.26890 -220.39711 10.87179 2.81248 -219.15556 870.88824
1685.0000 -230.43851 -217.52460 12.91391 2.85108 -218.35767 912.52246
1690.0000 -227.61584 -217.21326 10.40258 2.87691 -217.82363 941.43120
1695.0000 -227.87156 -216.91189 10.95968 2.89557 -217.43788 922.53096
1700.0000 -228.03432 -218.02219 10.01213 2.86028 -218.16729 906.70304
1705.0000 -229.57662 -219.31366 10.26296 2.82935 -218.80672 894.82697
1710.0000 -230.65749 -218.81015 11.84734 2.82434 -218.91037 887.05160
1715.0000 -229.13811 -218.23096 10.90715 2.88338 -217.68973 945.07341
1720.0000 -229.40219 -218.89566 10.50653 2.85097 -218.35983 920.35950
1725.0000 -230.33594 -219.93451 10.40143 2.77477 -219.93521 867.06778
1730.0000 -227.20189 -216.95205 10.24983 2.86534 -218.06276 924.00957
1735.0000 -230.63559 -220.35552 10.28007 2.84679 -218.44637 909.38495
1740.0000 -230.43507 -219.46106 10.97401 2.78213 -219.78302 882.11375
1745.0000 -230.87914 -220.17372 10.70541 2.83041 -218.78499 917.96879
1750.0000 -231.43503 -220.29769 11.13734 2.80191 -219.37406 914.98799
FREEZING PROCESS: loop number 8 T-loop= 904.00000000000000
main_MD> interactions number 8 at Temperature= 904.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17396 -0.56744 2.38520
force_rgl> df(natom) -6.75788 -2.56325 4.35357
1755.0000 -231.17156 -220.86105 10.31051 2.70499 -221.37774 822.45862
1760.0000 -228.39477 -215.81031 12.58446 2.83614 -218.66638 893.85674
1765.0000 -226.36985 -214.42701 11.94284 3.03555 -214.54393 1025.43219
1770.0000 -227.23271 -216.97312 10.25959 3.00579 -215.15919 985.39202
1775.0000 -226.75276 -216.20596 10.54680 2.92016 -216.92945 971.24407
1780.0000 -230.94708 -220.19944 10.74764 2.83650 -218.65900 895.20392
1785.0000 -230.03093 -218.45229 11.57863 2.81252 -219.15477 888.46419
1790.0000 -228.96298 -216.37052 12.59245 2.89421 -217.46595 931.55316
1795.0000 -229.26467 -218.56471 10.69997 2.92575 -216.81383 941.72154
1800.0000 -230.21267 -220.27220 9.94047 2.76098 -220.22029 846.53169
1805.0000 -231.96309 -220.08760 11.87550 2.78897 -219.64160 892.97351
1810.0000 -229.20584 -217.69582 11.51002 2.81174 -219.17083 907.76586
1815.0000 -228.87969 -218.63114 10.24855 2.88389 -217.67937 935.78438
1820.0000 -231.23353 -220.84522 10.38831 2.78672 -219.68821 897.30595
1825.0000 -230.81375 -219.90326 10.91048 2.75379 -220.36891 858.41849
1830.0000 -228.46468 -217.83720 10.62747 2.80169 -219.37866 867.15138
1835.0000 -228.54066 -217.50283 11.03783 2.89455 -217.45884 957.88647
1840.0000 -231.11508 -219.52873 11.58634 2.83205 -218.75091 909.01189
1845.0000 -228.44367 -217.41117 11.03250 2.81738 -219.05434 902.08320
1850.0000 -228.62074 -216.55348 12.06726 2.93261 -216.67208 970.80028
1855.0000 -228.98296 -215.85522 13.12774 2.95106 -216.29059 961.79264
1860.0000 -229.03989 -218.51210 10.52780 2.91718 -216.99095 965.82535
1865.0000 -230.85301 -220.73347 10.11954 2.80078 -219.39745 879.47717
1870.0000 -230.66919 -220.36928 10.29991 2.74143 -220.62442 853.38970
1875.0000 -231.11967 -220.74933 10.37034 2.73720 -220.71200 864.95866
1880.0000 -231.18113 -220.46378 10.71735 2.72854 -220.89097 840.31009
1885.0000 -230.78688 -218.33052 12.45636 2.80843 -219.23928 893.63436
1890.0000 -229.96574 -217.69024 12.27551 2.86534 -218.06284 936.18064
1895.0000 -230.19470 -219.74573 10.44897 2.84947 -218.39078 924.18402
1900.0000 -229.31892 -218.72854 10.59038 2.81915 -219.01767 867.56502
1905.0000 -231.80210 -220.29685 11.50525 2.78033 -219.82033 884.79387
1910.0000 -229.40747 -218.85802 10.54945 2.73853 -220.68440 843.84979
1915.0000 -229.83801 -217.98375 11.85427 2.82519 -218.89291 881.33555
1920.0000 -229.22215 -218.92959 10.29256 2.86494 -218.07094 910.13493
1925.0000 -230.74940 -220.20305 10.54635 2.83199 -218.75234 903.18780
1930.0000 -231.85207 -220.95009 10.90198 2.75923 -220.25638 856.99121
1935.0000 -230.99393 -221.11196 9.88197 2.68538 -221.78315 808.04707
1940.0000 -228.42803 -216.77433 11.65370 2.88674 -217.62029 896.08487
1945.0000 -229.80531 -218.85144 10.95387 2.84327 -218.51898 923.58592
1950.0000 -229.22701 -218.96724 10.25978 2.77122 -220.00848 847.91385
1955.0000 -230.72566 -220.75554 9.97012 2.78132 -219.79977 849.40740
1960.0000 -229.08458 -218.37033 10.71425 2.80915 -219.22437 884.76423
1965.0000 -228.84011 -218.32351 10.51660 2.89238 -217.50366 947.17190
1970.0000 -230.33569 -219.48306 10.85263 2.84783 -218.42467 906.53657
1975.0000 -229.23608 -218.61957 10.61650 2.78058 -219.81511 880.98078
1980.0000 -228.92650 -218.69167 10.23484 2.80652 -219.27880 881.03590
1985.0000 -228.33401 -217.31326 11.02075 2.80500 -219.31027 870.79525
1990.0000 -230.89069 -220.40218 10.48851 2.88343 -217.68881 933.65134
1995.0000 -232.38175 -221.35163 11.03013 2.68148 -221.86377 800.22658
2000.0000 -232.58283 -219.36691 13.21592 2.74314 -220.58919 853.23114
FREEZING PROCESS: loop number 9 T-loop= 879.00000000000000
main_MD> interactions number 9 at Temperature= 879.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96934 2.37957 1.14840
force_rgl> df(natom) -0.52871 2.01133 -0.97962
2005.0000 -230.84327 -220.08266 10.76061 2.77611 -219.90740 873.08596
2010.0000 -230.22258 -220.03821 10.18437 2.78780 -219.66571 873.98757
2015.0000 -230.49322 -220.54016 9.95306 2.79347 -219.54850 886.41089
2020.0000 -231.35110 -220.05611 11.29499 2.76546 -220.12776 876.50527
2025.0000 -230.73867 -220.77234 9.96634 2.73686 -220.71886 855.94450
2030.0000 -228.96196 -218.92912 10.03283 2.80723 -219.26418 873.22969
2035.0000 -230.22577 -219.20874 11.01702 2.78122 -219.80186 844.14867
2040.0000 -230.04558 -219.05068 10.99491 2.82580 -218.88025 907.63255
2045.0000 -230.94119 -220.22018 10.72101 2.78516 -219.72040 892.67212
2050.0000 -230.53932 -218.17700 12.36232 2.82293 -218.93962 912.87614
2055.0000 -230.90510 -221.33155 9.57355 2.82274 -218.94338 897.05562
2060.0000 -230.20022 -219.25404 10.94618 2.73210 -220.81744 845.04809
2065.0000 -231.54935 -220.36516 11.18419 2.79322 -219.55375 861.10531
2070.0000 -231.43815 -221.01406 10.42409 2.75889 -220.26343 852.64655
2075.0000 -231.37990 -219.94106 11.43884 2.72984 -220.86405 828.47265
2080.0000 -231.84816 -221.69732 10.15085 2.66256 -222.25489 806.04543
2085.0000 -231.60886 -220.76333 10.84552 2.70552 -221.36679 819.60313
2090.0000 -229.24649 -220.60981 8.63668 2.75186 -220.40880 853.13719
2095.0000 -231.40113 -221.52002 9.88111 2.75948 -220.25126 863.38352
2100.0000 -230.33061 -220.11398 10.21663 2.72898 -220.88183 830.51993
2105.0000 -232.83581 -221.21547 11.62034 2.74953 -220.45706 847.76884
2110.0000 -231.78467 -221.35959 10.42509 2.69365 -221.61216 848.69376
2115.0000 -229.27142 -220.48265 8.78877 2.69505 -221.58332 808.80295
2120.0000 -230.08985 -218.96989 11.11996 2.77145 -220.00386 874.35866
2125.0000 -230.24915 -219.72832 10.52083 2.82062 -218.98726 891.97571
2130.0000 -231.07965 -221.28184 9.79781 2.71921 -221.08383 833.38565
2135.0000 -231.45468 -220.39805 11.05663 2.76964 -220.04122 853.83151
2140.0000 -230.26794 -221.21410 9.05384 2.73692 -220.71761 838.34060
2145.0000 -230.13045 -219.55669 10.57376 2.77018 -220.03014 846.34203
2150.0000 -231.61497 -221.04855 10.56642 2.77464 -219.93790 880.31926
2155.0000 -231.04210 -219.47475 11.56736 2.73971 -220.66008 851.50100
2160.0000 -229.94769 -219.87764 10.07005 2.75011 -220.44506 853.26461
2165.0000 -231.29864 -221.88069 9.41795 2.73719 -220.71221 857.83002
2170.0000 -231.45274 -219.88729 11.56545 2.76480 -220.14129 859.88624
2175.0000 -229.16865 -219.64327 9.52538 2.78634 -219.69601 872.59621
2180.0000 -231.66150 -220.40353 11.25798 2.79223 -219.57422 893.49757
2185.0000 -228.58305 -218.42604 10.15701 2.86488 -218.07229 916.40229
2190.0000 -230.05184 -220.55785 9.49400 2.79074 -219.60513 882.57454
2195.0000 -231.84143 -220.70786 11.13357 2.73289 -220.80102 826.81365
2200.0000 -227.80904 -216.56889 11.24014 2.85147 -218.34953 912.43554
2205.0000 -228.47218 -218.56299 9.90918 2.89603 -217.42840 952.22616
2210.0000 -229.38139 -219.69973 9.68166 2.81270 -219.15107 888.79214
2215.0000 -229.93712 -219.74230 10.19482 2.73178 -220.82385 846.36170
2220.0000 -230.95295 -220.02903 10.92392 2.78281 -219.76896 876.46160
2225.0000 -229.51647 -217.66663 11.84985 2.82335 -218.93089 910.82017
2230.0000 -229.37091 -219.32440 10.04652 2.81092 -219.18776 907.26539
2235.0000 -229.94353 -219.28707 10.65646 2.74091 -220.63514 875.39385
2240.0000 -228.92608 -219.31644 9.60965 2.81105 -219.18515 875.17528
2245.0000 -230.48958 -219.35678 11.13280 2.77351 -219.96121 874.35521
2250.0000 -226.71464 -217.33069 9.38395 2.83904 -218.60647 911.02765
FREEZING PROCESS: loop number 10 T-loop= 854.00000000000000
main_MD> interactions number 10 at Temperature= 854.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50174 -2.94948 0.63510
force_rgl> df(natom) -2.61895 5.93024 6.03397
2255.0000 -230.50956 -219.35846 11.15110 2.83155 -218.76124 885.70885
2260.0000 -232.98094 -222.40665 10.57429 2.72952 -220.87070 853.69535
2265.0000 -232.38063 -222.88219 9.49844 2.64006 -222.72017 795.95531
2270.0000 -232.79250 -223.70261 9.08989 2.61831 -223.16974 796.34750
2275.0000 -232.04638 -222.16652 9.87986 2.62628 -223.00510 785.40265
2280.0000 -232.64569 -222.79804 9.84765 2.66580 -222.18805 827.92080
2285.0000 -231.25036 -222.08396 9.16641 2.66585 -222.18707 814.13189
2290.0000 -232.05866 -221.92056 10.13810 2.66855 -222.13110 791.29079
2295.0000 -233.08013 -223.34177 9.73836 2.67230 -222.05368 809.16111
2300.0000 -230.76207 -220.69754 10.06453 2.66197 -222.26723 809.84113
2305.0000 -231.72285 -220.48863 11.23422 2.72039 -221.05952 842.66122
2310.0000 -230.03642 -218.92226 11.11416 2.78551 -219.71307 884.40866
2315.0000 -232.13733 -220.43675 11.70058 2.77201 -219.99217 865.62048
2320.0000 -230.17648 -219.89357 10.28292 2.74224 -220.60776 869.75428
2325.0000 -231.46137 -221.78518 9.67619 2.72879 -220.88573 839.26846
2330.0000 -229.24925 -218.60126 10.64799 2.76064 -220.22733 853.26283
2335.0000 -229.23963 -217.32630 11.91333 2.86331 -218.10482 918.81881
2340.0000 -230.26401 -220.44347 9.82054 2.79447 -219.52797 895.35806
2345.0000 -232.29376 -223.34411 8.94965 2.64606 -222.59615 781.68648
2350.0000 -230.60630 -220.02679 10.57951 2.67956 -221.90364 817.71182
2355.0000 -231.44264 -220.50861 10.93403 2.70414 -221.39534 819.19916
2360.0000 -230.38941 -220.18572 10.20368 2.76828 -220.06935 832.06101
2365.0000 -229.35952 -218.53279 10.82673 2.85725 -218.22992 904.05020
2370.0000 -229.44697 -217.66625 11.78071 2.88832 -217.58777 928.11859
2375.0000 -229.39482 -218.57588 10.81893 2.84539 -218.47524 916.69273
2380.0000 -231.01210 -220.72901 10.28309 2.78024 -219.82218 859.07186
2385.0000 -231.70131 -221.37201 10.32930 2.71659 -221.13805 849.03890
2390.0000 -230.62161 -221.08244 9.53918 2.73570 -220.74300 835.96885
2395.0000 -229.91372 -220.53449 9.37923 2.77002 -220.03340 854.10783
2400.0000 -231.17663 -218.21180 12.96482 2.76725 -220.09070 872.17891
2405.0000 -229.46319 -219.49242 9.97077 2.84192 -218.54700 928.18680
2410.0000 -229.56027 -220.35072 9.20955 2.74694 -220.51052 849.25544
2415.0000 -229.65980 -221.11566 8.54414 2.70174 -221.44500 809.77704
2420.0000 -229.88421 -219.77102 10.11319 2.74391 -220.57316 849.00502
2425.0000 -230.45747 -220.00541 10.45206 2.76618 -220.11272 868.72289
2430.0000 -232.30716 -222.03277 10.27440 2.69635 -221.55639 833.82049
2435.0000 -232.04103 -221.19780 10.84323 2.65975 -222.31300 833.92181
2440.0000 -232.89548 -222.03012 10.86535 2.68613 -221.76777 813.74048
2445.0000 -232.27041 -222.27921 9.99120 2.64336 -222.65200 794.47845
2450.0000 -231.20812 -221.77446 9.43366 2.68192 -221.85470 812.45852
2455.0000 -232.32891 -222.10872 10.22019 2.67561 -221.98523 809.07264
2460.0000 -230.97640 -221.67363 9.30277 2.72126 -221.04154 852.21669
2465.0000 -231.52524 -222.70740 8.81783 2.67334 -222.03206 808.29042
2470.0000 -231.04481 -220.76037 10.28444 2.70146 -221.45084 811.92988
2475.0000 -230.88114 -221.24249 9.63866 2.73270 -220.80499 824.76582
2480.0000 -229.57799 -220.06229 9.51570 2.74028 -220.64822 828.52002
2485.0000 -230.53903 -219.73044 10.80859 2.79433 -219.53088 862.54899
2490.0000 -230.18163 -220.22014 9.96149 2.79045 -219.61108 896.98387
2495.0000 -232.23828 -221.24921 10.98908 2.71329 -221.20622 853.62497
2500.0000 -229.85433 -219.08022 10.77410 2.78823 -219.65694 890.26860
FREEZING PROCESS: loop number 11 T-loop= 829.00000000000000
main_MD> interactions number 11 at Temperature= 829.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67477 0.28133 -0.49839
force_rgl> df(natom) 0.28387 -5.40040 2.12738
2505.0000 -232.29195 -221.04433 11.24762 2.75562 -220.33103 844.69509
2510.0000 -229.78054 -219.75246 10.02808 2.71064 -221.26103 837.32678
2515.0000 -232.29927 -220.26685 12.03243 2.79937 -219.42656 856.76310
2520.0000 -231.86018 -221.04698 10.81321 2.78080 -219.81062 860.64681
2525.0000 -231.57174 -222.32129 9.25045 2.69245 -221.63696 821.12576
2530.0000 -232.83975 -221.84260 10.99715 2.65131 -222.48752 790.81177
2535.0000 -230.76216 -220.24326 10.51890 2.68180 -221.85729 818.75586
2540.0000 -230.12000 -221.33420 8.78580 2.73546 -220.74795 827.93807
2545.0000 -232.94255 -223.17294 9.76961 2.67203 -222.05917 805.52159
2550.0000 -231.62464 -221.71733 9.90731 2.64312 -222.65698 767.50975
2555.0000 -231.00324 -220.37726 10.62598 2.74343 -220.58307 836.79405
2560.0000 -230.80084 -221.11071 9.69014 2.71894 -221.08949 837.39837
2565.0000 -230.37732 -220.29147 10.08585 2.77011 -220.03145 849.80167
2570.0000 -231.74377 -220.67317 11.07060 2.72623 -220.93865 822.09378
2575.0000 -231.75280 -221.02787 10.72492 2.72359 -220.99330 847.61362
2580.0000 -231.07302 -222.08594 8.98708 2.70141 -221.45188 823.93142
2585.0000 -230.78475 -221.10673 9.67802 2.68417 -221.80814 818.26970
2590.0000 -229.54084 -220.16426 9.37657 2.73035 -220.85346 831.69910
2595.0000 -231.59353 -220.94901 10.64451 2.72818 -220.89831 812.94751
2600.0000 -230.95759 -220.76647 10.19111 2.75082 -220.43027 851.22353
2605.0000 -230.43985 -220.10453 10.33532 2.70658 -221.34491 810.13630
2610.0000 -231.33026 -221.81191 9.51835 2.76115 -220.21672 838.73767
2615.0000 -233.27824 -223.38649 9.89175 2.60766 -223.39004 758.69431
2620.0000 -232.70211 -222.81198 9.89013 2.67496 -221.99858 819.82644
2625.0000 -230.66045 -221.86269 8.79776 2.64760 -222.56422 786.89815
2630.0000 -231.17574 -221.81383 9.36191 2.69099 -221.66720 826.21925
2635.0000 -233.48553 -223.87060 9.61492 2.63882 -222.74577 790.11298
2640.0000 -232.28197 -223.59285 8.68912 2.56692 -224.23224 746.83082
2645.0000 -232.74955 -221.24204 11.50751 2.67321 -222.03490 805.87930
2650.0000 -229.26076 -219.70159 9.55917 2.73462 -220.76529 847.44879
2655.0000 -232.85370 -221.17008 11.68362 2.77075 -220.01823 866.02121
2660.0000 -231.76574 -221.90428 9.86146 2.65495 -222.41233 814.95731
2665.0000 -232.33475 -223.40450 8.93025 2.63130 -222.90132 783.00800
2670.0000 -231.88865 -223.32059 8.56806 2.59210 -223.71157 750.51320
2675.0000 -233.66806 -223.80457 9.86349 2.60936 -223.35482 774.92669
2680.0000 -232.00363 -222.09356 9.91007 2.61280 -223.28362 769.26014
2685.0000 -231.69217 -221.67997 10.01220 2.67164 -222.06728 803.08260
2690.0000 -230.80745 -220.11275 10.69470 2.70782 -221.31920 823.17929
2695.0000 -229.92312 -218.61857 11.30455 2.79684 -219.47895 906.26068
2700.0000 -231.90870 -221.22609 10.68262 2.76464 -220.14458 894.76282
2705.0000 -229.29187 -219.51640 9.77547 2.75706 -220.30130 843.41569
2710.0000 -229.92355 -220.74466 9.17888 2.75107 -220.42525 840.04501
2715.0000 -229.95370 -220.05875 9.89495 2.71958 -221.07610 843.74812
2720.0000 -229.93658 -219.74165 10.19493 2.71547 -221.16108 833.47981
2725.0000 -231.03782 -221.02507 10.01275 2.73997 -220.65463 853.08735
2730.0000 -230.14020 -219.66911 10.47109 2.74119 -220.62952 842.70649
2735.0000 -228.83345 -220.13011 8.70334 2.79803 -219.45438 875.47459
2740.0000 -231.32086 -221.53533 9.78553 2.73250 -220.80901 850.49625
2745.0000 -229.65549 -219.24059 10.41490 2.71746 -221.11998 837.68588
2750.0000 -232.33166 -221.33478 10.99688 2.80243 -219.36334 898.85348
FREEZING PROCESS: loop number 12 T-loop= 804.00000000000000
main_MD> interactions number 12 at Temperature= 804.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08992 -1.37857 -1.80839
force_rgl> df(natom) 0.38269 -2.43359 -0.00605
2755.0000 -229.44936 -217.93959 11.50977 2.75600 -220.32321 858.74489
2760.0000 -231.48818 -220.54374 10.94444 2.84829 -218.41528 922.20502
2765.0000 -231.31674 -221.57451 9.74223 2.71424 -221.18647 841.12002
2770.0000 -230.28145 -219.74431 10.53715 2.74230 -220.60648 833.34028
2775.0000 -230.76644 -219.94991 10.81653 2.77608 -219.90808 865.16343
2780.0000 -230.89620 -220.81769 10.07851 2.75142 -220.41783 844.71932
2785.0000 -232.66416 -221.08958 11.57458 2.72609 -220.94162 831.25564
2790.0000 -234.04260 -224.58642 9.45618 2.60909 -223.36041 770.73363
2795.0000 -233.13076 -222.95022 10.18054 2.56173 -224.33943 748.15981
2800.0000 -231.94618 -222.23004 9.71614 2.68136 -221.86639 839.21877
2805.0000 -232.09196 -222.76252 9.32944 2.64885 -222.53844 808.93641
2810.0000 -232.65959 -222.33323 10.32636 2.66352 -222.23522 810.52990
2815.0000 -233.10791 -223.42866 9.67925 2.60197 -223.50754 776.50406
2820.0000 -231.41249 -221.05821 10.35429 2.66198 -222.26704 792.76385
2825.0000 -230.76241 -221.57190 9.19052 2.69134 -221.65991 797.38843
2830.0000 -232.54774 -223.53630 9.01143 2.60773 -223.38861 738.19501
2835.0000 -230.62774 -221.50419 9.12354 2.63663 -222.79101 774.97254
2840.0000 -232.28780 -221.84317 10.44463 2.68644 -221.76126 789.58174
2845.0000 -230.65692 -220.22721 10.42971 2.73748 -220.70604 866.64667
2850.0000 -232.31915 -222.43187 9.88728 2.70433 -221.39137 835.22516
2855.0000 -232.64927 -223.82078 8.82849 2.58226 -223.91504 766.69116
2860.0000 -231.52385 -221.88566 9.63819 2.62976 -222.93304 778.79955
2865.0000 -231.22652 -221.47314 9.75338 2.69977 -221.48567 826.03926
2870.0000 -234.84224 -223.41543 11.42681 2.65071 -222.49994 790.59852
2875.0000 -231.29271 -219.90644 11.38627 2.73344 -220.78962 847.88320
2880.0000 -231.51341 -222.42907 9.08434 2.72150 -221.03655 856.13459
2885.0000 -231.77047 -221.61757 10.15290 2.69022 -221.68319 793.97950
2890.0000 -232.66845 -223.09588 9.57258 2.62920 -222.94475 786.22990
2895.0000 -231.62410 -221.51443 10.10967 2.68111 -221.87157 796.27244
2900.0000 -229.97853 -219.49288 10.48566 2.76398 -220.15818 868.29917
2905.0000 -228.38596 -217.73457 10.65140 2.80370 -219.33720 871.19054
2910.0000 -231.05477 -221.73465 9.32012 2.78319 -219.76121 893.55021
2915.0000 -231.88025 -222.12179 9.75846 2.66796 -222.14344 820.61221
2920.0000 -232.38668 -222.68229 9.70439 2.66763 -222.15022 792.83875
2925.0000 -231.24877 -221.14007 10.10871 2.70670 -221.34245 807.28172
2930.0000 -232.10147 -222.16745 9.93401 2.69319 -221.62180 813.23965
2935.0000 -231.77914 -222.03034 9.74880 2.64137 -222.69305 788.86392
2940.0000 -231.51012 -221.54085 9.96927 2.68446 -221.80224 812.81680
2945.0000 -230.34377 -220.93466 9.40912 2.73279 -220.80298 842.76895
2950.0000 -232.21615 -222.80842 9.40773 2.68067 -221.88057 796.52617
2955.0000 -230.10086 -221.78822 8.31264 2.65209 -222.47136 785.27781
2960.0000 -231.68254 -222.19363 9.48892 2.67487 -222.00056 805.11010
2965.0000 -233.54150 -223.04659 10.49492 2.65714 -222.36697 785.84866
2970.0000 -231.88104 -222.08126 9.79979 2.63060 -222.91574 818.01122
2975.0000 -232.69285 -222.38013 10.31272 2.68693 -221.75122 811.96239
2980.0000 -234.78773 -226.61466 8.17308 2.53357 -224.92179 738.00131
2985.0000 -232.39290 -223.01946 9.37344 2.52943 -225.00728 726.92003
2990.0000 -232.04009 -221.22529 10.81480 2.69754 -221.53186 813.04007
2995.0000 -231.83831 -221.41008 10.42823 2.75525 -220.33874 843.49799
3000.0000 -233.84885 -223.29739 10.55146 2.65311 -222.45029 800.29370
FREEZING PROCESS: loop number 13 T-loop= 779.00000000000000
main_MD> interactions number 13 at Temperature= 779.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00492 1.16114 2.80886
force_rgl> df(natom) -0.26095 0.50879 -0.48637
3005.0000 -231.44657 -222.27493 9.17164 2.58379 -223.88340 747.01229
3010.0000 -232.95013 -224.24989 8.70024 2.62145 -223.10491 756.23716
3015.0000 -233.18970 -224.72298 8.46672 2.55817 -224.41320 754.08516
3020.0000 -231.99429 -222.63182 9.36246 2.59039 -223.74693 764.34971
3025.0000 -231.88872 -223.05277 8.83595 2.64958 -222.52331 787.02099
3030.0000 -231.23764 -221.69291 9.54473 2.62700 -222.99011 773.33097
3035.0000 -233.95971 -224.38813 9.57158 2.63926 -222.73676 773.12776
3040.0000 -230.96277 -220.32513 10.63764 2.64913 -222.53253 807.72961
3045.0000 -232.27000 -221.94693 10.32307 2.76919 -220.05062 865.95895
3050.0000 -233.14566 -221.94351 11.20215 2.63570 -222.81028 765.18105
3055.0000 -231.30679 -221.82240 9.48439 2.64789 -222.55827 793.55307
3060.0000 -231.92946 -222.47568 9.45378 2.69690 -221.54505 833.81621
3065.0000 -232.17221 -223.07132 9.10088 2.64131 -222.69435 793.46823
3070.0000 -231.72469 -222.36762 9.35707 2.69538 -221.57649 800.42170
3075.0000 -231.77402 -221.83988 9.93414 2.66938 -222.11396 797.14737
3080.0000 -233.48542 -223.74397 9.74145 2.62216 -223.09012 788.80885
3085.0000 -233.66231 -223.26438 10.39793 2.59952 -223.55833 782.23532
3090.0000 -231.81213 -222.13810 9.67403 2.62051 -223.12441 788.72163
3095.0000 -230.79001 -221.59414 9.19587 2.68420 -221.80756 793.72861
3100.0000 -230.13842 -221.88359 8.25483 2.72155 -221.03554 822.46947
3105.0000 -233.45094 -224.15278 9.29816 2.62443 -223.04329 781.22312
3110.0000 -230.57088 -222.14767 8.42321 2.61105 -223.31980 782.92360
3115.0000 -232.70320 -221.67654 11.02667 2.65848 -222.33926 810.00131
3120.0000 -232.06275 -223.33890 8.72384 2.67469 -222.00420 837.99252
3125.0000 -232.89700 -224.39095 8.50605 2.54704 -224.64322 729.31150
3130.0000 -233.20297 -223.43044 9.77253 2.60015 -223.54528 757.73725
3135.0000 -233.63511 -223.18199 10.45311 2.56239 -224.32594 749.64600
3140.0000 -233.61612 -225.26653 8.34959 2.54095 -224.76917 741.50981
3145.0000 -231.56460 -222.59825 8.96634 2.58846 -223.78689 755.12426
3150.0000 -232.39587 -222.49208 9.90378 2.63853 -222.75184 778.77584
3155.0000 -232.53351 -222.31578 10.21773 2.64402 -222.63819 778.07189
3160.0000 -232.22530 -222.49665 9.72865 2.65700 -222.36996 804.30754
3165.0000 -233.01709 -222.82278 10.19431 2.62636 -223.00329 807.16101
3170.0000 -234.76566 -225.86976 8.89590 2.57553 -224.05415 777.38632
3175.0000 -232.33369 -222.94250 9.39119 2.59881 -223.57290 768.49240
3180.0000 -232.50006 -221.29170 11.20836 2.65838 -222.34132 811.42932
3185.0000 -232.83561 -224.47221 8.36341 2.64340 -222.65109 775.92337
3190.0000 -234.22073 -225.37817 8.84256 2.51138 -225.38040 691.62849
3195.0000 -232.59132 -224.10546 8.48587 2.53513 -224.88936 712.96895
3200.0000 -233.75145 -225.21776 8.53369 2.57088 -224.15026 756.09197
3205.0000 -232.87384 -224.09496 8.77888 2.57242 -224.11858 763.06842
3210.0000 -232.29251 -221.74859 10.54392 2.62441 -223.04362 784.23732
3215.0000 -233.34054 -223.85458 9.48596 2.60571 -223.43036 769.51212
3220.0000 -235.03921 -226.45990 8.57931 2.52919 -225.01224 715.76468
3225.0000 -233.07792 -223.86769 9.21023 2.50450 -225.52258 711.70626
3230.0000 -231.70205 -221.15486 10.54719 2.64544 -222.60894 786.34321
3235.0000 -233.22763 -223.88488 9.34276 2.66838 -222.13477 792.67366
3240.0000 -232.05204 -221.36682 10.68522 2.61933 -223.14863 759.14399
3245.0000 -231.19399 -222.15775 9.03624 2.67252 -222.04915 791.09122
3250.0000 -232.95854 -224.12861 8.82993 2.64607 -222.59597 776.70384
FREEZING PROCESS: loop number 14 T-loop= 754.00000000000000
main_MD> interactions number 14 at Temperature= 754.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.84942 1.51937 -0.06475
force_rgl> df(natom) 0.24268 1.00565 -0.92468
3255.0000 -233.69440 -223.51612 10.17829 2.62569 -223.01719 774.10848
3260.0000 -232.83442 -224.90290 7.93152 2.60011 -223.54608 767.11636
3265.0000 -232.55464 -224.37830 8.17634 2.54700 -224.64409 736.23914
3270.0000 -233.97855 -225.52661 8.45194 2.56623 -224.24658 746.16792
3275.0000 -233.91887 -224.53081 9.38806 2.52225 -225.15564 719.11723
3280.0000 -232.46718 -222.20287 10.26431 2.57596 -224.04532 777.21301
3285.0000 -232.87298 -223.42773 9.44525 2.66500 -222.20447 803.40080
3290.0000 -232.33609 -221.82721 10.50888 2.63560 -222.81236 788.33047
3295.0000 -233.56107 -223.75559 9.80548 2.58886 -223.77872 775.93898
3300.0000 -233.06663 -223.64557 9.42106 2.58227 -223.91491 747.46928
3305.0000 -234.25253 -225.15529 9.09723 2.56646 -224.24170 739.08726
3310.0000 -234.27835 -224.28270 9.99565 2.55029 -224.57605 723.74704
3315.0000 -232.99199 -223.76173 9.23025 2.58026 -223.95636 749.87054
3320.0000 -233.40798 -223.69908 9.70890 2.57385 -224.08899 765.19131
3325.0000 -231.90742 -224.18875 7.71867 2.54412 -224.70367 754.85722
3330.0000 -231.92992 -222.89952 9.03040 2.58182 -223.92420 743.61185
3335.0000 -233.67978 -224.56259 9.11719 2.54857 -224.61154 749.59281
3340.0000 -234.29986 -225.11994 9.17991 2.52348 -225.13039 723.67032
3345.0000 -233.14646 -224.41835 8.72811 2.54352 -224.71609 733.45411
3350.0000 -232.12067 -222.30563 9.81503 2.61639 -223.20942 776.55631
3355.0000 -232.57478 -222.69661 9.87817 2.65262 -222.46048 813.12967
3360.0000 -233.77536 -224.75689 9.01847 2.57914 -223.97957 761.76332
3365.0000 -232.53029 -223.35004 9.18025 2.57772 -224.00885 762.98013
3370.0000 -233.38843 -224.10403 9.28440 2.59406 -223.67108 766.14097
3375.0000 -233.29544 -223.94653 9.34891 2.59336 -223.68570 764.57912
3380.0000 -233.33688 -223.92087 9.41601 2.56243 -224.32495 720.03949
3385.0000 -232.21700 -223.23944 8.97756 2.59157 -223.72269 772.94283
3390.0000 -233.70089 -223.98023 9.72065 2.60774 -223.38832 773.79624
3395.0000 -236.23205 -226.89648 9.33557 2.51213 -225.36487 722.99229
3400.0000 -234.48253 -225.69789 8.78464 2.47752 -226.08055 689.23874
3405.0000 -233.85700 -226.16052 7.69648 2.48774 -225.86923 693.93978
3410.0000 -233.58773 -224.63255 8.95518 2.55290 -224.52205 734.81240
3415.0000 -233.36871 -224.57470 8.79401 2.51456 -225.31468 710.59921
3420.0000 -232.92628 -224.25236 8.67392 2.61198 -223.30062 766.82255
3425.0000 -232.70713 -224.41234 8.29478 2.59965 -223.55556 755.20634
3430.0000 -234.88091 -224.99626 9.88465 2.54465 -224.69273 746.21097
3435.0000 -234.31160 -224.84965 9.46194 2.55395 -224.50038 746.39461
3440.0000 -233.17094 -224.98680 8.18414 2.53825 -224.82487 732.30601
3445.0000 -232.38618 -224.26903 8.11715 2.56755 -224.21927 747.92450
3450.0000 -232.55669 -222.85912 9.69758 2.57387 -224.08854 737.63980
3455.0000 -231.32669 -222.92451 8.40218 2.63271 -222.87211 774.53084
3460.0000 -232.90245 -223.10046 9.80199 2.59044 -223.74606 773.39252
3465.0000 -232.84232 -224.19098 8.65134 2.58632 -223.83125 790.11989
3470.0000 -232.43737 -222.93062 9.50675 2.58719 -223.81313 754.80813
3475.0000 -233.35052 -224.42756 8.92296 2.58987 -223.75780 749.90998
3480.0000 -231.21695 -222.35112 8.86583 2.59829 -223.58364 764.20906
3485.0000 -233.70129 -223.16220 10.53910 2.60842 -223.37429 762.36217
3490.0000 -231.64313 -221.68581 9.95733 2.67586 -221.97993 814.27317
3495.0000 -233.65091 -225.19158 8.45933 2.60876 -223.36722 785.60247
3500.0000 -231.39888 -224.15958 7.23930 2.55454 -224.48813 740.73065
FREEZING PROCESS: loop number 15 T-loop= 729.00000000000000
main_MD> interactions number 15 at Temperature= 729.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.50058 1.46404 -1.40192
force_rgl> df(natom) 2.55663 -0.15476 -0.81870
3505.0000 -233.24468 -224.26378 8.98089 2.55894 -224.39710 716.41153
3510.0000 -234.11365 -225.14409 8.96956 2.54390 -224.70822 748.75447
3515.0000 -234.73579 -225.76402 8.97177 2.51710 -225.26216 717.49467
3520.0000 -230.88753 -221.77915 9.10838 2.59266 -223.70016 772.76969
3525.0000 -232.81187 -224.35921 8.45267 2.60430 -223.45950 783.02323
3530.0000 -234.33278 -226.02448 8.30831 2.52283 -225.14374 735.49316
3535.0000 -233.61397 -226.21717 7.39680 2.51844 -225.23446 718.57173
3540.0000 -234.96238 -227.45325 7.50912 2.45931 -226.45699 667.77000
3545.0000 -235.13643 -226.84077 8.29566 2.43160 -227.02973 671.68315
3550.0000 -234.66337 -226.62346 8.03992 2.42919 -227.07955 657.03322
3555.0000 -234.07631 -225.44733 8.62899 2.45912 -226.46085 684.81831
3560.0000 -235.45149 -226.12394 9.32755 2.46588 -226.32109 677.87595
3565.0000 -234.89025 -225.93854 8.95172 2.46264 -226.38817 680.51715
3570.0000 -235.26971 -227.61575 7.65396 2.52331 -225.13390 726.52213
3575.0000 -235.36827 -227.07401 8.29425 2.42696 -227.12575 658.26218
3580.0000 -234.20180 -226.31386 7.88794 2.44688 -226.71398 684.91281
3585.0000 -236.67454 -228.39682 8.27772 2.40721 -227.53404 660.82801
3590.0000 -235.05646 -225.88761 9.16885 2.45625 -226.52020 693.89899
3595.0000 -235.34462 -225.28138 10.06324 2.47966 -226.03614 711.46570
3600.0000 -235.13629 -225.38448 9.75180 2.54588 -224.66727 732.90080
3605.0000 -234.81266 -226.23542 8.57724 2.46537 -226.33161 693.46092
3610.0000 -235.10155 -227.09017 8.01138 2.41334 -227.40725 677.53089
3615.0000 -236.14816 -226.91811 9.23005 2.44249 -226.80463 706.22316
3620.0000 -234.23741 -225.56186 8.67555 2.44037 -226.84851 676.08624
3625.0000 -231.87709 -223.31020 8.56689 2.52500 -225.09894 738.08688
3630.0000 -234.12979 -223.81572 10.31407 2.62172 -223.09930 778.51185
3635.0000 -233.43315 -224.04594 9.38721 2.58138 -223.93320 753.90532
3640.0000 -233.73499 -225.09452 8.64048 2.54836 -224.61588 725.98334
3645.0000 -233.29317 -223.59887 9.69430 2.55928 -224.39027 758.99125
3650.0000 -234.50730 -225.85346 8.65384 2.51095 -225.38927 699.95548
3655.0000 -233.18550 -224.42020 8.76530 2.49687 -225.68038 684.97401
3660.0000 -234.62099 -226.74838 7.87261 2.51931 -225.21652 697.49575
3665.0000 -233.95147 -225.92435 8.02712 2.43613 -226.93624 648.20863
3670.0000 -232.67424 -224.37381 8.30043 2.52172 -225.16659 717.42716
3675.0000 -234.06554 -226.45488 7.61067 2.51384 -225.32966 686.26985
3680.0000 -233.39122 -224.08441 9.30681 2.53171 -224.96020 715.01239
3685.0000 -233.31283 -223.61824 9.69459 2.64080 -222.70486 800.00786
3690.0000 -234.63097 -225.15586 9.47511 2.54980 -224.58618 724.35031
3695.0000 -233.74784 -224.43963 9.30821 2.55802 -224.41623 749.53681
3700.0000 -233.76213 -225.05518 8.70695 2.54763 -224.63098 743.60010
3705.0000 -235.17540 -226.23186 8.94354 2.52329 -225.13412 712.45997
3710.0000 -234.09848 -225.58910 8.50938 2.49176 -225.78614 685.06974
3715.0000 -234.59841 -225.87266 8.72575 2.53057 -224.98370 731.40307
3720.0000 -233.61484 -225.41005 8.20478 2.52380 -225.12369 726.35001
3725.0000 -234.37365 -225.65219 8.72146 2.49088 -225.80418 693.18539
3730.0000 -233.10208 -224.19047 8.91162 2.56331 -224.30680 757.24919
3735.0000 -234.56810 -225.53797 9.03014 2.53287 -224.93623 732.25620
3740.0000 -234.45500 -225.74004 8.71496 2.47998 -226.02956 703.06287
3745.0000 -234.21289 -225.56138 8.65151 2.49264 -225.76789 702.20663
3750.0000 -234.51791 -225.61187 8.90603 2.49917 -225.63288 715.40259
FREEZING PROCESS: loop number 16 T-loop= 704.00000000000000
main_MD> interactions number 16 at Temperature= 704.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.56070 1.58957 -0.39684
force_rgl> df(natom) 0.56609 0.34900 0.24273
3755.0000 -235.40110 -228.48632 6.91478 2.41254 -227.42384 656.17813
3760.0000 -234.73988 -226.14291 8.59697 2.41686 -227.33451 678.73809
3765.0000 -234.17100 -225.99977 8.17123 2.48296 -225.96806 696.03831
3770.0000 -232.62679 -223.35763 9.26916 2.54361 -224.71411 732.07714
3775.0000 -234.37549 -226.02945 8.34603 2.54062 -224.77592 736.14938
3780.0000 -234.42904 -226.03080 8.39824 2.46900 -226.25650 693.95282
3785.0000 -233.31633 -224.46445 8.85188 2.49666 -225.68471 694.56564
3790.0000 -233.90439 -224.66909 9.23530 2.54289 -224.72907 733.86781
3795.0000 -233.34677 -223.42456 9.92220 2.55413 -224.49665 749.96868
3800.0000 -232.82132 -223.68421 9.13712 2.57589 -224.04675 759.88150
3805.0000 -233.38686 -224.34957 9.03729 2.59260 -223.70133 773.22732
3810.0000 -233.52844 -224.85166 8.67678 2.55884 -224.39917 710.23734
3815.0000 -234.37159 -225.66825 8.70334 2.51661 -225.27236 721.52569
3820.0000 -234.81812 -226.36541 8.45271 2.45929 -226.45734 669.72664
3825.0000 -233.71921 -225.22764 8.49157 2.47022 -226.23135 674.06528
3830.0000 -234.19047 -225.54184 8.64862 2.51944 -225.21386 704.72358
3835.0000 -234.69719 -226.16061 8.53658 2.51625 -225.27981 709.51539
3840.0000 -232.24428 -224.04291 8.20137 2.56252 -224.32326 743.66324
3845.0000 -234.01747 -225.86730 8.15017 2.56813 -224.20717 708.17136
3850.0000 -232.67807 -223.89432 8.78375 2.52620 -225.07404 709.22664
3855.0000 -233.67948 -223.66173 10.01775 2.59386 -223.67536 739.73267
3860.0000 -233.50510 -224.39984 9.10525 2.59331 -223.68664 727.45582
3865.0000 -233.44858 -225.46821 7.98037 2.53337 -224.92576 725.61847
3870.0000 -232.56042 -224.39071 8.16971 2.56401 -224.29246 731.99212
3875.0000 -232.82216 -225.93833 6.88382 2.54441 -224.69753 709.26611
3880.0000 -234.25224 -226.37250 7.87974 2.46871 -226.26265 678.82592
3885.0000 -234.15873 -225.69929 8.45944 2.48421 -225.94207 688.50219
3890.0000 -234.58075 -225.53277 9.04799 2.50145 -225.58564 731.22084
3895.0000 -234.04326 -225.19888 8.84438 2.48452 -225.93576 687.11991
3900.0000 -234.54498 -227.60819 6.93680 2.49631 -225.69208 683.54324
3905.0000 -234.09884 -226.37044 7.72840 2.45669 -226.51116 671.93507
3910.0000 -234.12216 -226.51649 7.60567 2.46207 -226.39984 675.15765
3915.0000 -233.87950 -224.94517 8.93433 2.49208 -225.77935 693.10636
3920.0000 -233.92488 -224.42265 9.50223 2.53940 -224.80110 724.27498
3925.0000 -234.22783 -224.60610 9.62173 2.58469 -223.86494 761.36547
3930.0000 -233.56560 -224.00909 9.55651 2.59474 -223.65710 757.28032
3935.0000 -234.82743 -225.71205 9.11538 2.50732 -225.46444 710.40751
3940.0000 -233.89780 -225.24607 8.65173 2.51033 -225.40206 707.83517
3945.0000 -235.79937 -227.05512 8.74425 2.48449 -225.93643 686.68720
3950.0000 -233.94460 -225.61836 8.32624 2.45967 -226.44944 681.45756
3955.0000 -234.95734 -226.91360 8.04374 2.46634 -226.31149 675.93499
3960.0000 -232.74181 -224.69431 8.04749 2.49506 -225.71783 707.17089
3965.0000 -232.13748 -223.05785 9.07964 2.60272 -223.49211 754.34900
3970.0000 -233.38472 -224.25677 9.12796 2.60753 -223.39270 774.86069
3975.0000 -234.73879 -225.79776 8.94103 2.56501 -224.27168 754.39661
3980.0000 -233.90283 -225.22513 8.67770 2.49769 -225.66338 707.99091
3985.0000 -234.62794 -224.55227 10.07566 2.56333 -224.30642 750.15220
3990.0000 -233.27259 -224.82386 8.44874 2.55189 -224.54290 733.76570
3995.0000 -233.85223 -224.89454 8.95770 2.51653 -225.27395 728.65634
4000.0000 -233.88116 -225.86352 8.01764 2.47803 -226.06984 688.17966
FREEZING PROCESS: loop number 17 T-loop= 679.00000000000000
main_MD> interactions number 17 at Temperature= 679.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.98269 -1.02993 -0.90121
force_rgl> df(natom) -1.89950 0.97312 2.12696
4005.0000 -235.11873 -226.31381 8.80492 2.45364 -226.57406 690.85155
4010.0000 -234.59434 -227.16838 7.42596 2.42685 -227.12808 664.78918
4015.0000 -234.21963 -225.17422 9.04541 2.46241 -226.39273 691.23742
4020.0000 -235.27214 -226.45432 8.81782 2.48422 -225.94188 677.99163
4025.0000 -233.39808 -224.31237 9.08571 2.55154 -224.55015 737.34660
4030.0000 -232.68011 -224.25962 8.42050 2.53986 -224.79168 732.14909
4035.0000 -233.34973 -224.81185 8.53787 2.59310 -223.69104 746.98889
4040.0000 -232.60762 -224.65514 7.95248 2.54126 -224.76276 692.09034
4045.0000 -234.28215 -223.78793 10.49423 2.57283 -224.11001 755.80247
4050.0000 -233.43317 -225.22139 8.21177 2.53784 -224.83339 716.03172
4055.0000 -233.45341 -225.51881 7.93460 2.51018 -225.40517 703.93249
4060.0000 -234.05928 -224.36289 9.69638 2.56381 -224.29642 721.18725
4065.0000 -234.63001 -225.30349 9.32652 2.60126 -223.52229 765.60658
4070.0000 -233.91670 -225.96546 7.95124 2.51662 -225.27217 707.20049
4075.0000 -234.55066 -226.69888 7.85178 2.49667 -225.68464 694.83925
4080.0000 -233.13471 -225.47260 7.66212 2.45158 -226.61666 667.57432
4085.0000 -234.76152 -225.40356 9.35797 2.53114 -224.97193 730.58530
4090.0000 -234.34918 -225.50563 8.84356 2.46067 -226.42886 699.18807
4095.0000 -233.64766 -224.95210 8.69556 2.51698 -225.26470 715.39871
4100.0000 -233.53257 -225.10991 8.42266 2.50742 -225.46222 703.74471
4105.0000 -233.66621 -225.03398 8.63224 2.54110 -224.76595 741.89091
4110.0000 -234.17825 -225.87678 8.30147 2.48723 -225.87975 699.09227
4115.0000 -233.95757 -225.10319 8.85439 2.47485 -226.13568 692.33562
4120.0000 -233.90106 -225.75687 8.14418 2.51832 -225.23689 730.53903
4125.0000 -233.62851 -225.82622 7.80229 2.51396 -225.32711 717.60174
4130.0000 -235.90406 -227.01078 8.89328 2.45684 -226.50808 657.67289
4135.0000 -234.59431 -225.88630 8.70801 2.42833 -227.09737 667.52401
4140.0000 -235.32694 -227.81440 7.51254 2.44739 -226.70344 680.91383
4145.0000 -235.02822 -227.26132 7.76690 2.42085 -227.25213 659.01564
4150.0000 -235.39986 -228.30121 7.09865 2.39274 -227.83318 643.56759
4155.0000 -234.58049 -227.64806 6.93243 2.38899 -227.91063 633.43460
4160.0000 -235.92146 -228.09303 7.82843 2.37350 -228.23095 636.73595
4165.0000 -236.45022 -228.47195 7.97827 2.38668 -227.95855 638.28914
4170.0000 -234.95325 -226.51159 8.44166 2.42647 -227.13575 693.27768
4175.0000 -235.78520 -227.33882 8.44638 2.44053 -226.84514 665.30056
4180.0000 -235.19922 -227.71071 7.48851 2.39650 -227.75536 663.75426
4185.0000 -235.45016 -226.74165 8.70851 2.41550 -227.36262 678.33050
4190.0000 -234.90877 -226.06370 8.84507 2.46092 -226.42355 677.49818
4195.0000 -234.53762 -226.06014 8.47748 2.47701 -226.09107 678.32239
4200.0000 -235.51797 -227.59703 7.92094 2.51023 -225.40428 722.34588
4205.0000 -236.81925 -229.04468 7.77457 2.38329 -228.02863 643.08439
4210.0000 -236.08414 -228.89170 7.19243 2.33584 -229.00951 621.88153
4215.0000 -236.57081 -227.68083 8.88998 2.35198 -228.67577 634.71364
4220.0000 -234.23763 -225.10688 9.13075 2.47738 -226.08332 688.13088
4225.0000 -232.79593 -226.17380 6.62213 2.48347 -225.95734 672.59272
4230.0000 -232.96232 -222.67252 10.28980 2.56474 -224.27739 739.86961
4235.0000 -234.30644 -224.26745 10.03899 2.65260 -222.46094 785.75117
4240.0000 -235.13260 -226.39815 8.73445 2.54492 -224.68707 720.28663
4245.0000 -233.89595 -225.56260 8.33335 2.48516 -225.92255 685.06679
4250.0000 -234.69592 -225.46621 9.22972 2.49895 -225.63733 685.50961
FREEZING PROCESS: loop number 18 T-loop= 654.00000000000000
main_MD> interactions number 18 at Temperature= 654.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17144 -3.69748 -0.99924
force_rgl> df(natom) 2.69047 0.19804 -2.84213
4255.0000 -234.27897 -225.86390 8.41507 2.47391 -226.15506 696.16392
4260.0000 -234.23688 -225.74182 8.49506 2.48321 -225.96288 692.01179
4265.0000 -234.68245 -224.84290 9.83955 2.52792 -225.03859 712.96089
4270.0000 -234.78060 -225.69669 9.08390 2.49212 -225.77853 678.43659
4275.0000 -234.95580 -227.10030 7.85549 2.44449 -226.76327 683.42116
4280.0000 -235.45902 -226.99164 8.46738 2.45304 -226.58654 667.90968
4285.0000 -235.01768 -227.62955 7.38813 2.39736 -227.73763 643.06151
4290.0000 -235.42079 -227.48196 7.93883 2.40460 -227.58803 651.63779
4295.0000 -236.17739 -229.78613 6.39126 2.33512 -229.02448 609.73254
4300.0000 -235.71386 -227.56245 8.15141 2.34902 -228.73706 609.53148
4305.0000 -234.63841 -227.41436 7.22405 2.42671 -227.13098 672.78636
4310.0000 -234.80792 -227.53333 7.27459 2.40451 -227.58987 643.81676
4315.0000 -237.40447 -229.69293 7.71154 2.34092 -228.90440 617.30836
4320.0000 -236.91351 -229.63809 7.27542 2.27988 -230.16632 578.93939
4325.0000 -234.93498 -227.84987 7.08511 2.34541 -228.81175 618.05920
4330.0000 -235.89433 -227.98856 7.90577 2.38308 -228.03290 642.30166
4335.0000 -237.15075 -229.48379 7.66696 2.36158 -228.47741 629.24186
4340.0000 -235.93996 -228.89665 7.04331 2.30614 -229.62353 584.88839
4345.0000 -236.67021 -228.80210 7.86811 2.33701 -228.98540 592.70621
4350.0000 -235.88239 -228.09808 7.78431 2.34129 -228.89692 602.48869
4355.0000 -234.76336 -227.49185 7.27151 2.38057 -228.08481 626.76970
4360.0000 -234.31094 -226.11751 8.19343 2.43485 -226.96254 679.34954
4365.0000 -234.62240 -226.74211 7.88030 2.44272 -226.79998 668.98702
4370.0000 -235.74999 -226.87499 8.87500 2.45558 -226.53401 675.29727
4375.0000 -234.57002 -226.79645 7.77357 2.39034 -227.88277 627.97988
4380.0000 -234.91808 -227.01085 7.90723 2.42909 -227.08175 666.01770
4385.0000 -236.27076 -228.24400 8.02676 2.40884 -227.50026 645.20544
4390.0000 -235.51270 -227.15659 8.35611 2.39965 -227.69027 646.97782
4395.0000 -235.11861 -227.24912 7.86949 2.38972 -227.89559 635.84548
4400.0000 -236.37425 -227.52284 8.85141 2.41666 -227.33861 645.10397
4405.0000 -236.12353 -227.21101 8.91252 2.43015 -227.05967 655.94936
4410.0000 -233.68027 -225.26360 8.41666 2.44780 -226.69486 668.75971
4415.0000 -236.09620 -227.70100 8.39520 2.46087 -226.42461 673.69697
4420.0000 -235.77281 -228.12302 7.64979 2.42443 -227.17806 676.00746
4425.0000 -236.58814 -228.31624 8.27190 2.39574 -227.77111 640.44164
4430.0000 -235.88600 -226.87032 9.01568 2.41067 -227.46241 666.00490
4435.0000 -235.28494 -227.53741 7.74753 2.40423 -227.59555 663.37227
4440.0000 -235.34097 -228.02230 7.31868 2.38240 -228.04688 631.85987
4445.0000 -234.58929 -227.02071 7.56859 2.38590 -227.97457 613.30911
4450.0000 -235.52143 -228.42280 7.09862 2.41958 -227.27831 646.67157
4455.0000 -235.60858 -227.35350 8.25508 2.36411 -228.42509 634.51574
4460.0000 -235.58487 -227.78618 7.79869 2.41001 -227.47618 669.50844
4465.0000 -235.06069 -226.35544 8.70526 2.39361 -227.81509 648.23415
4470.0000 -238.06292 -230.05056 8.01236 2.34094 -228.90410 654.93883
4475.0000 -235.62832 -227.72732 7.90100 2.34725 -228.77372 633.96666
4480.0000 -234.74014 -226.85034 7.88980 2.40285 -227.62416 661.95485
4485.0000 -234.17845 -226.96336 7.21509 2.43057 -227.05115 665.93071
4490.0000 -234.01760 -226.03905 7.97855 2.42306 -227.20633 647.37018
4495.0000 -234.77659 -227.04209 7.73450 2.45412 -226.56418 652.64758
4500.0000 -234.85793 -225.77645 9.08148 2.48319 -225.96332 693.80213
FREEZING PROCESS: loop number 19 T-loop= 629.00000000000000
main_MD> interactions number 19 at Temperature= 629.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46655 0.66092 -0.90650
force_rgl> df(natom) -3.53474 -1.76871 -4.32379
4505.0000 -235.45120 -227.15342 8.29778 2.44750 -226.70109 692.45431
4510.0000 -236.11495 -227.63245 8.48250 2.39048 -227.87991 658.11266
4515.0000 -234.81577 -228.07490 6.74086 2.38209 -228.05341 642.84034
4520.0000 -235.03279 -227.49743 7.53536 2.38244 -228.04607 641.94315
4525.0000 -237.40250 -228.77038 8.63212 2.41998 -227.26997 657.02804
4530.0000 -236.90949 -229.01427 7.89522 2.34631 -228.79308 620.95941
4535.0000 -236.27625 -227.93042 8.34583 2.36575 -228.39118 641.20783
4540.0000 -236.05735 -228.70533 7.35202 2.37405 -228.21960 631.53682
4545.0000 -234.55125 -226.87688 7.67436 2.40217 -227.63821 632.31623
4550.0000 -234.43346 -226.29364 8.13982 2.44931 -226.66372 660.31590
4555.0000 -234.79111 -226.89900 7.89211 2.43796 -226.89828 646.47871
4560.0000 -237.00020 -230.22412 6.77608 2.34266 -228.86845 620.22049
4565.0000 -236.77465 -229.32317 7.45147 2.29980 -229.75452 582.71862
4570.0000 -235.66559 -227.97729 7.68830 2.37142 -228.27396 627.66124
4575.0000 -235.49044 -227.79823 7.69220 2.40683 -227.54182 655.23847
4580.0000 -235.77500 -226.96673 8.80827 2.40242 -227.63296 646.68978
4585.0000 -235.36160 -228.32895 7.03265 2.40490 -227.58169 657.56061
4590.0000 -235.97424 -228.70538 7.26886 2.34559 -228.80784 608.34798
4595.0000 -235.42176 -227.82627 7.59549 2.40486 -227.58257 660.36976
4600.0000 -235.61132 -228.34923 7.26209 2.38695 -227.95285 647.02786
4605.0000 -237.65773 -229.86820 7.78953 2.35936 -228.52331 624.35742
4610.0000 -235.78912 -227.73627 8.05285 2.35117 -228.69261 619.86072
4615.0000 -235.06653 -228.08946 6.97707 2.39491 -227.78824 622.77305
4620.0000 -236.51425 -229.13222 7.38203 2.35892 -228.53232 601.69929
4625.0000 -237.33863 -230.09918 7.23945 2.31889 -229.35999 609.42067
4630.0000 -238.30470 -230.61840 7.68630 2.31140 -229.51485 625.35446
4635.0000 -236.84531 -230.04806 6.79725 2.26746 -230.42315 574.65861
4640.0000 -237.08983 -230.10065 6.98917 2.29545 -229.84459 585.49697
4645.0000 -238.19301 -231.09520 7.09780 2.25952 -230.58736 565.07235
4650.0000 -237.54956 -229.60584 7.94372 2.26453 -230.48374 578.99190
4655.0000 -238.42598 -230.29328 8.13270 2.28203 -230.12187 626.48569
4660.0000 -238.10416 -230.99873 7.10543 2.23863 -231.01930 606.55437
4665.0000 -236.99809 -229.80953 7.18856 2.32059 -229.32474 643.80089
4670.0000 -237.62910 -230.14108 7.48802 2.29905 -229.77019 599.83056
4675.0000 -237.09026 -230.08333 7.00693 2.27160 -230.33768 584.53663
4680.0000 -237.27045 -229.27748 7.99298 2.33168 -229.09560 619.16530
4685.0000 -237.26210 -229.86946 7.39265 2.28779 -230.00281 595.78153
4690.0000 -236.51039 -229.04496 7.46543 2.35022 -228.71228 624.57293
4695.0000 -235.45461 -228.23425 7.22036 2.34542 -228.81150 622.36218
4700.0000 -236.51100 -229.22886 7.28214 2.36787 -228.34725 624.57586
4705.0000 -236.63305 -228.64909 7.98395 2.30455 -229.65631 587.14444
4710.0000 -236.27503 -228.18349 8.09154 2.38701 -227.95169 644.83779
4715.0000 -235.90866 -228.81352 7.09514 2.34519 -228.81623 621.00268
4720.0000 -236.68745 -229.39111 7.29634 2.33981 -228.92748 611.94708
4725.0000 -236.51836 -229.95949 6.55887 2.32760 -229.17984 623.96614
4730.0000 -236.39780 -229.21777 7.18003 2.30943 -229.55557 583.67220
4735.0000 -235.61807 -228.19574 7.42233 2.37587 -228.18187 629.74778
4740.0000 -236.51170 -229.32041 7.19129 2.38115 -228.07281 633.52853
4745.0000 -236.07838 -229.21093 6.86745 2.32408 -229.25265 589.88370
4750.0000 -235.56005 -227.97226 7.58779 2.33288 -229.07076 590.29251
FREEZING PROCESS: loop number 20 T-loop= 604.00000000000000
main_MD> interactions number 20 at Temperature= 604.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.86608 1.04291 -2.02069
force_rgl> df(natom) 4.87932 0.72734 2.97985
4755.0000 -236.48540 -229.04440 7.44100 2.34070 -228.90900 613.24879
4760.0000 -235.55312 -228.58313 6.96999 2.34472 -228.82592 598.03076
4765.0000 -237.26984 -228.51523 8.75461 2.34704 -228.77786 618.80377
4770.0000 -236.02039 -227.78166 8.23873 2.35273 -228.66032 603.35980
4775.0000 -236.64484 -228.31733 8.32751 2.39964 -227.69061 620.69774
4780.0000 -236.02937 -227.96811 8.06126 2.36108 -228.48767 599.47622
4785.0000 -234.47550 -227.19409 7.28141 2.41735 -227.32432 656.62504
4790.0000 -235.46320 -228.32702 7.13618 2.39271 -227.83374 631.71009
4795.0000 -236.40876 -229.06434 7.34443 2.34229 -228.87613 591.82724
4800.0000 -235.69809 -227.59151 8.10659 2.36044 -228.50087 594.08900
4805.0000 -237.03066 -229.25138 7.77929 2.36849 -228.33456 625.28783
4810.0000 -237.21583 -230.30151 6.91432 2.30312 -229.68589 603.02712
4815.0000 -236.99978 -229.61364 7.38615 2.29669 -229.81892 583.73475
4820.0000 -237.39869 -229.93192 7.46677 2.27893 -230.18603 588.77972
4825.0000 -237.01150 -230.39067 6.62083 2.29986 -229.75334 602.34381
4830.0000 -237.96401 -231.16785 6.79616 2.26850 -230.40163 598.50533
4835.0000 -237.05291 -228.45288 8.60003 2.27543 -230.25842 595.58437
4840.0000 -236.79230 -228.27469 8.51761 2.29679 -229.81686 612.40475
4845.0000 -236.71533 -229.09615 7.61919 2.35350 -228.64432 645.05345
4850.0000 -237.91735 -230.65783 7.25952 2.28111 -230.14089 582.89940
4855.0000 -236.91129 -230.49525 6.41603 2.24942 -230.79622 549.81214
4860.0000 -237.26650 -229.71456 7.55194 2.29239 -229.90774 584.79053
4865.0000 -236.41164 -229.21105 7.20059 2.31829 -229.37231 591.16373
4870.0000 -236.32656 -227.98513 8.34143 2.36436 -228.41990 624.84400
4875.0000 -235.42705 -227.72230 7.70475 2.39341 -227.81939 647.00371
4880.0000 -235.87786 -228.55570 7.32216 2.39174 -227.85391 637.62407
4885.0000 -236.31830 -228.26272 8.05558 2.35034 -228.70964 605.28694
4890.0000 -237.39810 -230.22282 7.17529 2.33410 -229.04546 615.20458
4895.0000 -236.69756 -229.15624 7.54132 2.29735 -229.80528 597.28844
4900.0000 -235.76497 -228.35027 7.41470 2.36952 -228.31318 656.79011
4905.0000 -237.74978 -230.02827 7.72151 2.32544 -229.22447 608.28930
4910.0000 -236.72351 -229.60104 7.12247 2.30858 -229.57300 584.24204
4915.0000 -236.57410 -228.40042 8.17368 2.32114 -229.31335 599.20620
4920.0000 -235.56286 -227.56440 7.99846 2.35025 -228.71151 603.64706
4925.0000 -235.23903 -228.39209 6.84694 2.38058 -228.08454 632.21490
4930.0000 -236.37845 -228.60536 7.77309 2.35652 -228.58189 619.60393
4935.0000 -235.77050 -227.02918 8.74132 2.38846 -227.92163 625.04110
4940.0000 -235.44914 -228.07091 7.37824 2.39958 -227.69182 619.34229
4945.0000 -234.47463 -227.47922 6.99541 2.39009 -227.88806 630.10761
4950.0000 -235.19077 -227.45820 7.73257 2.42871 -227.08960 672.69571
4955.0000 -235.72700 -228.83068 6.89631 2.39240 -227.84018 629.58061
4960.0000 -236.76833 -230.63095 6.13738 2.30233 -229.70218 579.92059
4965.0000 -236.65240 -229.74076 6.91165 2.28943 -229.96893 570.45552
4970.0000 -237.29288 -229.90721 7.38567 2.31945 -229.34826 592.36326
4975.0000 -235.54937 -227.64313 7.90624 2.32887 -229.15355 602.46493
4980.0000 -235.32964 -228.26186 7.06778 2.40562 -227.56697 660.68327
4985.0000 -236.78352 -228.97516 7.80835 2.34409 -228.83892 606.78948
4990.0000 -236.67036 -228.35030 8.32006 2.36619 -228.38206 630.46611
4995.0000 -236.63033 -229.11541 7.51492 2.37978 -228.10112 618.39448
5000.0000 -236.51815 -228.87265 7.64550 2.38114 -228.07304 640.59658
FREEZING PROCESS: loop number 21 T-loop= 579.00000000000000
main_MD> interactions number 21 at Temperature= 579.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33975 -0.15846 0.41266
force_rgl> df(natom) -0.54368 -0.90351 -0.41373
5005.0000 -236.47769 -229.18643 7.29126 2.30988 -229.54615 568.00685
5010.0000 -236.34836 -229.94076 6.40760 2.31594 -229.42101 589.08255
5015.0000 -236.91493 -229.01903 7.89590 2.27909 -230.18268 584.38377
5020.0000 -236.52238 -230.30109 6.22129 2.34582 -228.80319 620.19791
5025.0000 -236.77510 -228.89826 7.87684 2.32024 -229.33201 605.28307
5030.0000 -236.66082 -229.68086 6.97996 2.34050 -228.91318 600.08747
5035.0000 -236.88910 -230.18220 6.70691 2.27523 -230.26252 565.22564
5040.0000 -237.31379 -229.92452 7.38927 2.31002 -229.54327 590.77245
5045.0000 -237.88267 -231.56814 6.31453 2.29737 -229.80472 581.49614
5050.0000 -237.99772 -231.56206 6.43566 2.22037 -231.39666 531.88969
5055.0000 -237.63330 -230.27546 7.35784 2.23824 -231.02732 542.48093
5060.0000 -238.39785 -231.39584 7.00200 2.24794 -230.82662 566.43097
5065.0000 -239.00309 -232.11216 6.89093 2.20586 -231.69675 536.28572
5070.0000 -237.25441 -230.23470 7.01972 2.22581 -231.28418 551.47437
5075.0000 -237.72863 -230.41946 7.30918 2.30057 -229.73867 602.47099
5080.0000 -236.95907 -230.60668 6.35239 2.28974 -229.96255 589.44245
5085.0000 -236.25799 -230.62192 5.63607 2.28387 -230.08385 586.15084
5090.0000 -238.32416 -230.01751 8.30665 2.31567 -229.42654 601.78069
5095.0000 -237.60820 -230.05819 7.55000 2.29385 -229.87755 590.34597
5100.0000 -237.73062 -231.43179 6.29883 2.23526 -231.08887 554.97820
5105.0000 -236.04880 -229.74647 6.30232 2.25665 -230.64660 574.42885
5110.0000 -237.88544 -230.26136 7.62408 2.29472 -229.85966 607.12275
5115.0000 -239.06985 -232.11208 6.95777 2.21882 -231.42876 563.31343
5120.0000 -238.02650 -231.15466 6.87184 2.19868 -231.84511 539.12429
5125.0000 -236.27010 -230.17480 6.09530 2.27797 -230.20585 568.74531
5130.0000 -237.22234 -231.05662 6.16572 2.27570 -230.25273 553.94789
5135.0000 -236.69427 -230.37933 6.31495 2.25364 -230.70882 527.85202
5140.0000 -237.91426 -230.62186 7.29240 2.24501 -230.88721 550.86930
5145.0000 -238.75703 -231.34606 7.41097 2.25462 -230.68857 563.11056
5150.0000 -236.77030 -230.09943 6.67087 2.26192 -230.53773 572.33369
5155.0000 -235.54825 -228.59607 6.95218 2.31121 -229.51872 614.95680
5160.0000 -237.20888 -228.79847 8.41041 2.35080 -228.70015 610.44889
5165.0000 -236.45370 -229.29344 7.16027 2.33269 -229.07462 589.36626
5170.0000 -236.78663 -230.20554 6.58110 2.32164 -229.30298 592.85979
5175.0000 -236.65398 -228.92142 7.73256 2.30109 -229.72785 584.11773
5180.0000 -236.27706 -228.96598 7.31108 2.27961 -230.17190 570.22202
5185.0000 -237.79964 -230.28874 7.51090 2.32345 -229.26559 604.15684
5190.0000 -237.29989 -230.57646 6.72344 2.26824 -230.40707 560.73823
5195.0000 -236.83132 -229.44664 7.38468 2.30463 -229.65480 602.47298
5200.0000 -236.24654 -229.72949 6.51705 2.28750 -230.00887 579.46973
5205.0000 -236.61661 -229.94007 6.67654 2.33306 -229.06700 570.50086
5210.0000 -236.18692 -228.76160 7.42532 2.31436 -229.45360 590.64771
5215.0000 -236.50038 -229.18722 7.31316 2.33531 -229.02040 610.33236
5220.0000 -236.11198 -229.41242 6.69956 2.31656 -229.40807 598.23567
5225.0000 -236.58134 -230.01280 6.56854 2.32174 -229.30091 600.00810
5230.0000 -236.76971 -230.01547 6.75425 2.28081 -230.14724 566.84653
5235.0000 -236.48854 -228.68095 7.80759 2.31361 -229.46909 596.98558
5240.0000 -236.99576 -230.19156 6.80421 2.27463 -230.27495 563.20130
5245.0000 -237.71719 -230.45253 7.26466 2.27023 -230.36589 563.13215
5250.0000 -238.38502 -230.40663 7.97838 2.21684 -231.46963 527.35866
FREEZING PROCESS: loop number 22 T-loop= 554.00000000000000
main_MD> interactions number 22 at Temperature= 554.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.90822 0.44854 0.75362
force_rgl> df(natom) 0.72000 2.85482 2.23841
5255.0000 -237.01514 -230.38797 6.62716 2.28699 -230.01934 570.63389
5260.0000 -238.12246 -231.69791 6.42455 2.20986 -231.61403 526.56921
5265.0000 -238.19981 -231.46140 6.73841 2.20641 -231.68525 529.96197
5270.0000 -238.85158 -230.81772 8.03386 2.22167 -231.36983 586.69226
5275.0000 -238.04736 -231.67775 6.36961 2.20957 -231.62005 575.98344
5280.0000 -238.32873 -231.43942 6.88931 2.17841 -232.26420 550.62478
5285.0000 -238.25111 -231.52340 6.72771 2.21992 -231.40598 561.76931
5290.0000 -239.66399 -232.04536 7.61863 2.19683 -231.88330 553.50298
5295.0000 -238.62534 -232.25735 6.36799 2.17665 -232.30061 540.88470
5300.0000 -239.38625 -232.39317 6.99308 2.15015 -232.84833 539.00906
5305.0000 -240.66304 -234.36189 6.30115 2.11357 -233.60460 511.19684
5310.0000 -238.94315 -232.27100 6.67215 2.14524 -232.94996 505.84861
5315.0000 -238.84426 -232.14801 6.69625 2.19481 -231.92511 539.36615
5320.0000 -239.55562 -233.53669 6.01893 2.16275 -232.58784 551.87329
5325.0000 -238.58283 -232.57069 6.01214 2.11839 -233.50500 512.41387
5330.0000 -239.20873 -232.23853 6.97020 2.17585 -232.31716 565.97747
5335.0000 -238.17411 -231.85587 6.31825 2.19135 -231.99667 533.81892
5340.0000 -237.68671 -231.30811 6.37861 2.20404 -231.73439 534.94120
5345.0000 -237.80318 -230.99541 6.80777 2.24136 -230.96283 562.16873
5350.0000 -238.31172 -232.17002 6.14170 2.20366 -231.74210 517.77943
5355.0000 -238.35939 -231.57100 6.78839 2.18358 -232.15727 516.56482
5360.0000 -237.68340 -230.61944 7.06396 2.25685 -230.64261 567.88201
5365.0000 -237.75633 -231.16806 6.58827 2.24897 -230.80546 558.74260
5370.0000 -238.90466 -231.93232 6.97234 2.19494 -231.92238 517.30750
5375.0000 -239.10231 -231.76675 7.33556 2.20988 -231.61365 548.28244
5380.0000 -237.17703 -230.76592 6.41111 2.24557 -230.87574 558.64016
5385.0000 -238.01355 -232.09836 5.91520 2.24606 -230.86557 546.14699
5390.0000 -238.54636 -232.22190 6.32446 2.17808 -232.27106 512.12666
5395.0000 -236.96299 -229.77493 7.18806 2.24909 -230.80303 558.48160
5400.0000 -236.54521 -228.91232 7.63290 2.32222 -229.29110 596.43157
5405.0000 -236.79701 -229.63833 7.15869 2.32880 -229.15504 619.43801
5410.0000 -237.98813 -231.09245 6.89569 2.24955 -230.79337 564.86036
5415.0000 -239.04346 -231.76573 7.27773 2.18531 -232.12148 532.95556
5420.0000 -238.24752 -231.76486 6.48266 2.22161 -231.37110 570.57328
5425.0000 -237.88674 -231.85390 6.03283 2.22073 -231.38924 572.82449
5430.0000 -238.38548 -232.01128 6.37420 2.17110 -232.41523 563.42974
5435.0000 -240.11559 -232.99994 7.11565 2.14653 -232.92331 550.58526
5440.0000 -239.23239 -233.29780 5.93459 2.12739 -233.31891 543.44900
5445.0000 -239.14517 -233.20205 5.94312 2.11650 -233.54404 531.48481
5450.0000 -238.79268 -232.21116 6.58151 2.16716 -232.49671 538.87632
5455.0000 -237.63133 -231.41243 6.21890 2.19236 -231.97575 522.16449
5460.0000 -237.78174 -230.58936 7.19238 2.28191 -230.12436 587.78948
5465.0000 -238.58662 -231.33670 7.24991 2.24103 -230.96949 562.65208
5470.0000 -237.71776 -230.06857 7.64920 2.24730 -230.83989 564.22286
5475.0000 -237.64020 -229.09570 8.54450 2.32922 -229.14637 647.74845
5480.0000 -237.82762 -230.66422 7.16340 2.30744 -229.59669 627.48088
5485.0000 -238.51244 -231.63687 6.87556 2.25657 -230.64830 606.93664
5490.0000 -238.44646 -231.86752 6.57894 2.17689 -232.29567 551.03129
5495.0000 -239.13807 -232.24818 6.88989 2.16235 -232.59613 550.47061
5500.0000 -238.75242 -232.42507 6.32735 2.16748 -232.49017 556.57492
FREEZING PROCESS: loop number 23 T-loop= 529.00000000000000
main_MD> interactions number 23 at Temperature= 529.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33748 0.88126 -2.01279
force_rgl> df(natom) 0.52081 0.21713 1.56853
5505.0000 -238.95945 -233.48710 5.47235 2.16704 -232.49915 537.50528
5510.0000 -239.00906 -233.50509 5.50397 2.11360 -233.60397 497.26072
5515.0000 -240.08436 -233.50082 6.58354 2.11933 -233.48565 502.88290
5520.0000 -238.12891 -231.85655 6.27236 2.14460 -232.96318 495.68780
5525.0000 -239.37117 -233.82969 5.54147 2.16364 -232.56956 503.72930
5530.0000 -239.26249 -233.88216 5.38034 2.09446 -233.99976 479.53195
5535.0000 -239.33508 -232.87046 6.46463 2.12455 -233.37756 505.03354
5540.0000 -238.84316 -233.55034 5.29282 2.16822 -232.47485 542.37967
5545.0000 -238.60730 -233.36157 5.24574 2.15353 -232.77862 525.91548
5550.0000 -239.96992 -233.97184 5.99808 2.10564 -233.76863 490.69920
5555.0000 -239.37318 -232.73795 6.63523 2.12845 -233.29711 522.32431
5560.0000 -239.52402 -233.32708 6.19694 2.11089 -233.66013 502.94128
5565.0000 -239.86041 -233.04052 6.81988 2.11023 -233.67361 512.08603
5570.0000 -238.97134 -232.99229 5.97904 2.14729 -232.90755 525.80889
5575.0000 -239.39790 -232.74395 6.65395 2.17018 -232.43436 528.34245
5580.0000 -240.11059 -233.53370 6.57689 2.10772 -233.72564 497.71579
5585.0000 -239.02114 -232.56641 6.45473 2.15740 -232.69843 550.19871
5590.0000 -240.09674 -233.70270 6.39404 2.14212 -233.01433 529.70804
5595.0000 -239.54391 -233.67042 5.87349 2.11889 -233.49463 519.47585
5600.0000 -239.65838 -233.56420 6.09418 2.11238 -233.62920 513.76161
5605.0000 -239.99427 -234.17344 5.82083 2.07747 -234.35096 488.12828
5610.0000 -239.13633 -232.94743 6.18890 2.12080 -233.45509 498.42850
5615.0000 -239.59930 -233.34025 6.25904 2.16328 -232.57705 543.73821
5620.0000 -239.27008 -233.03877 6.23131 2.13103 -233.24379 506.40061
5625.0000 -238.92311 -232.06631 6.85680 2.13175 -233.22873 509.71332
5630.0000 -239.07344 -232.02839 7.04505 2.16416 -232.55886 546.89569
5635.0000 -239.51684 -232.79371 6.72312 2.16891 -232.46052 535.81630
5640.0000 -239.10592 -232.47634 6.62958 2.17178 -232.40114 541.30512
5645.0000 -238.12224 -231.26806 6.85418 2.20900 -231.63172 567.01398
5650.0000 -239.99142 -232.94309 7.04833 2.18403 -232.14798 552.34408
5655.0000 -239.12702 -233.16664 5.96038 2.13717 -233.11679 528.41905
5660.0000 -238.93873 -233.05696 5.88177 2.13175 -233.22887 515.62204
5665.0000 -239.31952 -232.72774 6.59178 2.12706 -233.32586 511.91008
5670.0000 -238.74107 -232.09783 6.64324 2.16780 -232.48356 535.15769
5675.0000 -239.40505 -232.88379 6.52126 2.17564 -232.32149 529.80077
5680.0000 -239.71216 -233.39529 6.31687 2.12403 -233.38836 528.69847
5685.0000 -240.92598 -234.32454 6.60143 2.09584 -233.97116 503.06291
5690.0000 -239.24259 -232.46204 6.78055 2.13098 -233.24481 521.84179
5695.0000 -240.22775 -234.10623 6.12153 2.12318 -233.40602 520.62619
5700.0000 -239.67610 -233.31565 6.36045 2.10706 -233.73919 510.38671
5705.0000 -239.32901 -233.87514 5.45387 2.10592 -233.76290 485.27331
5710.0000 -239.44169 -233.23104 6.21065 2.09700 -233.94729 483.62730
5715.0000 -239.73360 -233.79163 5.94197 2.10993 -233.67999 488.31428
5720.0000 -238.42450 -233.07974 5.34476 2.12487 -233.37112 499.18510
5725.0000 -238.68939 -231.91740 6.77199 2.19014 -232.02172 551.82817
5730.0000 -238.70406 -231.98624 6.71782 2.17252 -232.38596 519.68789
5735.0000 -239.13246 -232.83098 6.30149 2.19265 -231.96979 542.50229
5740.0000 -237.83836 -231.20871 6.62965 2.18746 -232.07705 543.85258
5745.0000 -236.92804 -231.26435 5.66369 2.22645 -231.27098 534.89697
5750.0000 -237.19145 -231.35071 5.84075 2.23781 -231.03616 546.15073
FREEZING PROCESS: loop number 24 T-loop= 504.00000000000000
main_MD> interactions number 24 at Temperature= 504.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.03500 3.54269 -2.15748
force_rgl> df(natom) 0.56787 -2.88006 0.18337
5755.0000 -237.30784 -231.62241 5.68543 2.20820 -231.64839 523.34937
5760.0000 -237.92528 -231.65366 6.27161 2.18206 -232.18871 493.37494
5765.0000 -238.67330 -232.56533 6.10796 2.19612 -231.89802 522.19511
5770.0000 -238.20899 -232.09912 6.10987 2.17632 -232.30742 510.09157
5775.0000 -238.48590 -231.57218 6.91372 2.20398 -231.73551 535.33766
5780.0000 -237.64180 -232.07943 5.56237 2.20699 -231.67329 523.60193
5785.0000 -237.85511 -231.24884 6.60627 2.19772 -231.86504 519.43372
5790.0000 -236.56679 -231.05667 5.51012 2.24477 -230.89217 545.64081
5795.0000 -237.90063 -231.55243 6.34821 2.22549 -231.29076 536.80980
5800.0000 -236.60540 -230.93950 5.66591 2.18236 -232.18261 514.24240
5805.0000 -238.42727 -232.24402 6.18326 2.22056 -231.39283 531.11250
5810.0000 -239.04369 -232.40990 6.63378 2.15690 -232.70882 506.34588
5815.0000 -238.86503 -231.83709 7.02793 2.18737 -232.07885 537.86983
5820.0000 -238.57723 -232.55788 6.01935 2.18241 -232.18145 511.90508
5825.0000 -239.47287 -232.80914 6.66372 2.13533 -233.15487 482.82862
5830.0000 -237.86875 -231.88143 5.98732 2.15956 -232.65389 484.43710
5835.0000 -238.20276 -232.39620 5.80656 2.15675 -232.71192 475.06677
5840.0000 -238.27760 -232.81599 5.46161 2.16142 -232.61540 484.14793
5845.0000 -238.05969 -231.50279 6.55690 2.16293 -232.58413 482.37015
5850.0000 -237.78181 -230.33617 7.44564 2.26221 -230.53169 580.02396
5855.0000 -239.24133 -232.97587 6.26545 2.21214 -231.56692 538.49973
5860.0000 -237.79166 -231.47201 6.31965 2.19790 -231.86123 526.12665
5865.0000 -240.10397 -233.53209 6.57188 2.14378 -232.98008 498.62054
5870.0000 -239.00789 -232.88986 6.11802 2.14305 -232.99528 496.02005
5875.0000 -239.46800 -233.62873 5.83928 2.15172 -232.81598 513.37634
5880.0000 -239.91503 -233.71422 6.20081 2.09039 -234.08378 474.04513
5885.0000 -239.35494 -233.35148 6.00346 2.09105 -234.07016 481.50584
5890.0000 -238.99215 -233.05005 5.94210 2.13669 -233.12673 513.65039
5895.0000 -240.51763 -233.92053 6.59710 2.10303 -233.82262 500.85734
5900.0000 -239.14004 -232.12612 7.01392 2.12403 -233.38836 518.18777
5905.0000 -239.64439 -232.96966 6.67473 2.16222 -232.59891 514.04761
5910.0000 -239.37861 -233.37692 6.00168 2.12428 -233.38320 492.06916
5915.0000 -239.13022 -233.51391 5.61631 2.09771 -233.93253 474.05746
5920.0000 -240.45013 -233.72646 6.72367 2.12003 -233.47103 504.47777
5925.0000 -239.88839 -234.46417 5.42422 2.08059 -234.28656 471.45600
5930.0000 -238.94828 -233.52231 5.42597 2.09291 -234.03179 485.52588
5935.0000 -239.94825 -234.37793 5.57031 2.11986 -233.47456 496.12104
5940.0000 -239.10869 -233.59971 5.50898 2.11661 -233.54182 507.18855
5945.0000 -239.88021 -233.62702 6.25320 2.11184 -233.64042 498.90017
5950.0000 -239.53926 -234.01122 5.52804 2.11468 -233.58171 498.80068
5955.0000 -239.37223 -234.35511 5.01711 2.08669 -234.16035 475.55748
5960.0000 -239.66427 -234.10327 5.56100 2.09126 -234.06593 468.52821
5965.0000 -238.27106 -232.40070 5.87036 2.15839 -232.67802 507.83414
5970.0000 -238.42599 -231.96155 6.46444 2.21945 -231.41563 549.47272
5975.0000 -239.89291 -233.46447 6.42844 2.15148 -232.82089 492.97774
5980.0000 -239.11336 -232.82867 6.28469 2.13708 -233.11866 505.10525
5985.0000 -239.38877 -233.79009 5.59868 2.15599 -232.72775 514.90358
5990.0000 -239.55598 -233.13840 6.41758 2.10898 -233.69957 497.58113
5995.0000 -239.99279 -234.62952 5.36327 2.10213 -233.84116 484.36362
6000.0000 -240.47351 -233.21945 7.25405 2.09642 -233.95925 493.70868
FREEZING PROCESS: loop number 25 T-loop= 479.00000000000000
main_MD> interactions number 25 at Temperature= 479.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58776 0.42192 -1.64994
force_rgl> df(natom) -1.42076 -3.96562 0.33166
6005.0000 -239.06864 -233.55956 5.50908 2.11288 -233.61883 506.49997
6010.0000 -240.22307 -234.32146 5.90161 2.08710 -234.15184 490.55593
6015.0000 -240.57315 -235.37849 5.19466 2.05306 -234.85572 482.32657
6020.0000 -240.24476 -233.93935 6.30542 2.04810 -234.95813 480.80327
6025.0000 -240.67444 -235.00050 5.67394 2.08389 -234.21818 501.68834
6030.0000 -240.40112 -234.18551 6.21561 2.05922 -234.72832 482.19282
6035.0000 -240.50725 -235.01607 5.49119 2.06383 -234.63296 483.44564
6040.0000 -241.28077 -234.64588 6.63489 2.06331 -234.64366 472.35606
6045.0000 -241.10815 -236.07408 5.03408 2.01277 -235.68846 444.47031
6050.0000 -241.01344 -235.87038 5.14306 2.01349 -235.67364 451.75052
6055.0000 -240.45699 -235.64866 4.80833 2.02774 -235.37905 455.83741
6060.0000 -240.10657 -233.93153 6.17504 2.03115 -235.30849 445.14987
6065.0000 -240.78653 -235.17669 5.60984 2.08527 -234.18971 491.03086
6070.0000 -240.31533 -234.34012 5.97521 2.06051 -234.70157 473.47620
6075.0000 -239.16578 -232.47296 6.69282 2.12692 -233.32856 506.88794
6080.0000 -239.69056 -233.35706 6.33350 2.13379 -233.18654 505.83437
6085.0000 -240.31152 -234.64471 5.66681 2.11146 -233.64833 493.40781
6090.0000 -240.27924 -234.11098 6.16827 2.08037 -234.29109 487.81286
6095.0000 -239.90447 -233.84876 6.05571 2.07487 -234.40471 480.61281
6100.0000 -240.16881 -234.64124 5.52757 2.08991 -234.09369 480.03120
6105.0000 -240.94856 -235.12681 5.82174 2.03759 -235.17549 454.16833
6110.0000 -240.73515 -235.92832 4.80683 2.01152 -235.71450 443.04283
6115.0000 -241.02927 -235.60049 5.42878 2.00420 -235.86581 437.04278
6120.0000 -241.03370 -235.52717 5.50653 2.00649 -235.81834 431.28552
6125.0000 -240.65015 -235.07687 5.57329 2.03182 -235.29477 454.07545
6130.0000 -241.57535 -234.64108 6.93427 2.06537 -234.60113 466.77038
6135.0000 -239.97886 -234.04864 5.93023 2.06566 -234.59503 480.97673
6140.0000 -240.67796 -234.68473 5.99324 2.07408 -234.42103 483.64727
6145.0000 -240.02651 -233.55922 6.46729 2.08164 -234.26473 489.92536
6150.0000 -240.27722 -234.37455 5.90268 2.05418 -234.83246 471.47704
6155.0000 -239.09159 -232.74435 6.34724 2.10186 -233.84673 507.70095
6160.0000 -240.13530 -234.37732 5.75798 2.13864 -233.08636 534.87692
6165.0000 -240.08656 -235.20593 4.88063 2.06939 -234.51793 480.47663
6170.0000 -240.79936 -235.31404 5.48531 2.04196 -235.08505 468.21503
6175.0000 -240.27990 -234.14465 6.13525 2.05682 -234.77792 482.77935
6180.0000 -239.29806 -234.39034 4.90772 2.06940 -234.51780 473.79086
6185.0000 -239.69868 -234.59121 5.10747 2.07676 -234.36561 474.40409
6190.0000 -240.65530 -234.82668 5.82862 2.05373 -234.84171 461.34464
6195.0000 -240.07379 -233.59620 6.47759 2.05606 -234.79356 473.10186
6200.0000 -239.36196 -232.94338 6.41858 2.13466 -233.16867 530.76121
6205.0000 -240.33185 -233.70309 6.62876 2.12816 -233.30299 528.05273
6210.0000 -239.83588 -234.69219 5.14369 2.07807 -234.33863 473.94610
6215.0000 -240.49000 -234.53931 5.95069 2.06612 -234.58559 456.05944
6220.0000 -240.01742 -233.94664 6.07078 2.09766 -233.93366 484.95870
6225.0000 -240.71756 -235.33650 5.38105 2.06934 -234.51909 475.99707
6230.0000 -239.47326 -233.68306 5.79020 2.07253 -234.45319 473.68344
6235.0000 -240.74889 -235.51556 5.23333 2.06419 -234.62547 467.46064
6240.0000 -240.60899 -234.81428 5.79470 2.05063 -234.90578 461.61300
6245.0000 -240.61231 -234.61324 5.99907 2.06555 -234.59743 482.21050
6250.0000 -240.47011 -233.33040 7.13971 2.07470 -234.40825 477.97339
FREEZING PROCESS: loop number 26 T-loop= 454.00000000000000
main_MD> interactions number 26 at Temperature= 454.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.47091 -2.26398 -1.80327
force_rgl> df(natom) -1.32494 0.77367 2.57327
6255.0000 -240.93540 -234.91284 6.02256 2.06603 -234.58750 476.36332
6260.0000 -240.17992 -235.35677 4.82315 2.07313 -234.44070 475.39263
6265.0000 -240.43807 -235.32440 5.11368 2.02851 -235.36306 441.53858
6270.0000 -241.47983 -235.97617 5.50366 2.02120 -235.51427 451.35498
6275.0000 -240.92200 -235.02094 5.90105 2.00971 -235.75176 447.60289
6280.0000 -241.07545 -235.39756 5.67789 2.03945 -235.13690 453.31627
6285.0000 -240.67482 -235.46915 5.20567 2.02804 -235.37291 444.94328
6290.0000 -240.30976 -234.62524 5.68452 2.03718 -235.18392 451.10807
6295.0000 -239.72578 -233.92893 5.79685 2.05701 -234.77399 462.29441
6300.0000 -241.41600 -235.66744 5.74856 2.05333 -234.84998 464.34518
6305.0000 -240.20381 -234.26719 5.93662 2.05395 -234.83713 465.69137
6310.0000 -241.21711 -236.19633 5.02078 2.02285 -235.48012 442.05613
6315.0000 -241.33385 -235.46310 5.87075 2.02887 -235.35573 445.42116
6320.0000 -240.52262 -235.04580 5.47682 2.01793 -235.58192 433.26056
6325.0000 -239.72782 -234.75717 4.97065 2.08417 -234.21253 467.86216
6330.0000 -240.31781 -234.34020 5.97762 2.05106 -234.89706 461.96600
6335.0000 -242.22265 -235.99886 6.22379 2.04498 -235.02265 482.63269
6340.0000 -241.90436 -236.63604 5.26832 1.98860 -236.18833 442.66581
6345.0000 -241.64522 -235.95751 5.68771 1.99090 -236.14076 448.49126
6350.0000 -242.06790 -237.17036 4.89753 1.97285 -236.51383 436.20870
6355.0000 -241.70816 -236.53113 5.17703 1.97013 -236.57017 424.38369
6360.0000 -241.40321 -236.16316 5.24005 1.98918 -236.17633 445.72144
6365.0000 -242.24817 -236.90352 5.34465 1.98516 -236.25932 435.67484
6370.0000 -241.98066 -236.32085 5.65981 1.96593 -236.65690 439.84663
6375.0000 -242.37505 -236.65596 5.71910 1.98333 -236.29727 457.55956
6380.0000 -240.26102 -234.72685 5.53417 1.98107 -236.34392 448.18491
6385.0000 -241.30432 -235.34091 5.96341 2.04917 -234.93600 489.53436
6390.0000 -241.80692 -235.87443 5.93249 2.00545 -235.83989 458.53074
6395.0000 -242.04344 -236.21935 5.82410 1.98794 -236.20184 453.71367
6400.0000 -240.87059 -236.03017 4.84041 1.99257 -236.10615 446.31310
6405.0000 -241.96997 -236.83900 5.13097 2.00051 -235.94196 457.74542
6410.0000 -241.87835 -236.13991 5.73844 1.98557 -236.25091 448.64036
6415.0000 -241.31473 -235.56556 5.74917 1.98765 -236.20796 447.37794
6420.0000 -241.48094 -236.05142 5.42952 2.01732 -235.59446 458.80663
6425.0000 -241.57424 -236.71407 4.86017 2.00253 -235.90016 438.92010
6430.0000 -241.83313 -236.26857 5.56457 1.97121 -236.54774 435.17378
6435.0000 -242.20799 -236.94611 5.26188 1.97467 -236.47618 441.10608
6440.0000 -242.20236 -237.01096 5.19140 1.96168 -236.74479 430.82745
6445.0000 -241.86396 -236.41852 5.44544 1.96683 -236.63841 435.74421
6450.0000 -241.18423 -236.58698 4.59725 1.98833 -236.19376 450.85552
6455.0000 -241.61870 -236.54487 5.07383 1.96098 -236.75926 433.92342
6460.0000 -241.10470 -236.41126 4.69344 1.96463 -236.68372 432.72037
6465.0000 -242.24521 -237.03821 5.20700 1.95017 -236.98263 424.68361
6470.0000 -242.85268 -237.42433 5.42835 1.95231 -236.93854 426.85873
6475.0000 -242.29723 -237.48852 4.80871 1.94872 -237.01267 419.63020
6480.0000 -240.95352 -235.46105 5.49247 1.98939 -236.17187 442.76043
6485.0000 -241.05737 -235.58464 5.47274 2.02058 -235.52711 452.03602
6490.0000 -241.30150 -235.61913 5.68237 2.02143 -235.50957 437.85521
6495.0000 -240.59446 -234.48961 6.10485 2.04663 -234.98859 470.66708
6500.0000 -241.25524 -235.81110 5.44414 2.03008 -235.33068 468.24022
FREEZING PROCESS: loop number 27 T-loop= 429.00000000000000
main_MD> interactions number 27 at Temperature= 429.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61354 0.27240 0.75526
force_rgl> df(natom) 0.43853 -0.53464 2.10267
6505.0000 -241.72363 -237.09986 4.62377 1.98164 -236.33221 429.09192
6510.0000 -240.97290 -236.13013 4.84277 1.93859 -237.22220 396.25513
6515.0000 -241.54619 -235.66905 5.87714 2.02292 -235.47878 467.79406
6520.0000 -242.26706 -237.12523 5.14183 1.97552 -236.45864 453.97690
6525.0000 -241.94125 -236.37025 5.57099 1.95670 -236.84774 445.15516
6530.0000 -242.59563 -236.85380 5.74183 1.95972 -236.78535 444.43332
6535.0000 -242.80317 -237.21152 5.59165 1.95473 -236.88845 438.18799
6540.0000 -241.39767 -236.17007 5.22760 1.95936 -236.79267 442.67839
6545.0000 -243.23868 -237.92006 5.31862 1.96279 -236.72176 447.88183
6550.0000 -242.50851 -238.45839 4.05012 1.89918 -238.03692 395.00668
6555.0000 -241.96006 -237.39795 4.56211 1.91933 -237.62025 413.78928
6560.0000 -242.70811 -236.41953 6.28858 1.94057 -237.18123 431.80487
6565.0000 -242.02501 -236.75831 5.26670 1.97269 -236.51725 449.16411
6570.0000 -242.43094 -236.28504 6.14590 1.96074 -236.76428 444.32367
6575.0000 -242.02827 -237.06814 4.96014 1.96017 -236.77601 449.87974
6580.0000 -242.93022 -237.84124 5.08898 1.92361 -237.53184 419.85629
6585.0000 -242.15102 -237.23392 4.91710 1.89987 -238.02264 400.96123
6590.0000 -242.76825 -238.14422 4.62403 1.94162 -237.15948 429.24554
6595.0000 -242.22397 -236.93892 5.28505 1.93428 -237.31115 424.66384
6600.0000 -242.20347 -236.68676 5.51672 1.95666 -236.84852 441.75831
6605.0000 -242.66188 -237.34454 5.31734 1.95893 -236.80166 446.80349
6610.0000 -242.76299 -236.51798 6.24501 1.95495 -236.88385 443.63563
6615.0000 -242.45643 -236.83538 5.62105 1.97404 -236.48934 452.03175
6620.0000 -242.23025 -237.05743 5.17282 1.94150 -237.16198 428.70939
6625.0000 -242.41305 -237.29888 5.11416 1.96678 -236.63943 452.33856
6630.0000 -242.21118 -236.96076 5.25042 1.95464 -236.89025 443.92064
6635.0000 -241.19348 -236.38207 4.81141 1.96101 -236.75867 443.90009
6640.0000 -241.76606 -237.26860 4.49746 1.93784 -237.23757 426.18518
6645.0000 -242.30721 -236.60680 5.70041 1.93831 -237.22799 423.49895
6650.0000 -241.83438 -236.06568 5.76870 1.95260 -236.93247 437.24684
6655.0000 -242.27745 -236.59422 5.68323 1.97483 -236.47288 457.46913
6660.0000 -242.31608 -237.83155 4.48454 1.95855 -236.80959 434.65775
6665.0000 -242.30023 -237.73747 4.56276 1.92134 -237.57875 412.17054
6670.0000 -242.88638 -238.07306 4.81332 1.90874 -237.83917 407.43983
6675.0000 -242.79813 -237.42517 5.37296 1.94507 -237.08817 435.78969
6680.0000 -243.04587 -237.84416 5.20171 1.90996 -237.81402 414.57947
6685.0000 -242.95628 -238.12745 4.82882 1.88594 -238.31051 390.53165
6690.0000 -242.31716 -237.18798 5.12918 1.91167 -237.77866 411.79006
6695.0000 -241.73795 -235.60972 6.12824 1.95662 -236.84933 442.69929
6700.0000 -242.83091 -237.06679 5.76412 1.98103 -236.34465 446.65034
6705.0000 -241.53721 -235.34454 6.19267 1.97750 -236.41770 453.19122
6710.0000 -241.67248 -236.47961 5.19286 2.01233 -235.69764 483.66298
6715.0000 -240.43859 -235.53794 4.90065 1.99706 -236.01327 467.83586
6720.0000 -242.07024 -235.95605 6.11418 1.98299 -236.30422 462.31017
6725.0000 -241.26868 -235.63249 5.63620 2.01208 -235.70291 469.80710
6730.0000 -242.30919 -237.35719 4.95199 1.97357 -236.49902 438.32568
6735.0000 -242.58857 -237.62557 4.96300 1.93353 -237.32678 425.48013
6740.0000 -242.05353 -236.46270 5.59083 1.93735 -237.24779 428.50018
6745.0000 -243.08752 -237.44097 5.64656 1.96075 -236.76391 443.47664
6750.0000 -242.45038 -237.13253 5.31785 1.90918 -237.83008 407.74030
FREEZING PROCESS: loop number 28 T-loop= 404.00000000000000
main_MD> interactions number 28 at Temperature= 404.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56100 1.70424 -0.98493
force_rgl> df(natom) -3.10842 1.57773 -1.23060
6755.0000 -241.88266 -236.82246 5.06020 1.93755 -237.24360 429.38994
6760.0000 -242.50781 -238.20440 4.30341 1.92509 -237.50126 419.02143
6765.0000 -242.21239 -237.72961 4.48278 1.92967 -237.40649 420.82288
6770.0000 -243.17055 -237.84966 5.32089 1.90727 -237.86971 406.55818
6775.0000 -243.38255 -237.68134 5.70121 1.90250 -237.96823 399.00296
6780.0000 -242.83618 -238.55018 4.28600 1.87701 -238.49516 382.01260
6785.0000 -243.05901 -239.10139 3.95762 1.85619 -238.92562 365.89871
6790.0000 -243.21860 -238.86480 4.35380 1.87265 -238.58542 375.46992
6795.0000 -242.67114 -237.46800 5.20314 1.89697 -238.08265 393.91738
6800.0000 -243.61903 -239.06637 4.55267 1.89451 -238.13353 394.74845
6805.0000 -243.46545 -238.57202 4.89343 1.84524 -239.15213 359.17024
6810.0000 -243.58742 -238.59063 4.99679 1.88112 -238.41028 380.65143
6815.0000 -243.28970 -237.57755 5.71214 1.91489 -237.71201 412.22748
6820.0000 -242.05065 -237.01345 5.03720 1.93279 -237.34197 422.46932
6825.0000 -242.24874 -236.94513 5.30362 1.93411 -237.31482 422.96465
6830.0000 -241.95330 -236.72329 5.23001 1.95279 -236.92860 432.04347
6835.0000 -242.62823 -237.28256 5.34567 1.93937 -237.20591 427.46716
6840.0000 -242.98112 -237.89207 5.08905 1.93257 -237.34651 421.80249
6845.0000 -242.82108 -237.00813 5.81295 1.93229 -237.35246 424.28701
6850.0000 -242.90379 -237.80843 5.09536 1.94000 -237.19307 430.05160
6855.0000 -243.76150 -237.85576 5.90574 1.90974 -237.81852 409.09840
6860.0000 -243.06739 -238.14184 4.92555 1.90717 -237.87165 405.55334
6865.0000 -243.17105 -238.10338 5.06766 1.89800 -238.06133 397.85691
6870.0000 -242.18658 -236.82942 5.35717 1.89932 -238.03405 399.10837
6875.0000 -242.46311 -238.10210 4.36100 1.91300 -237.75120 408.76062
6880.0000 -242.66528 -237.80460 4.86068 1.89388 -238.14654 394.50647
6885.0000 -242.32658 -237.55813 4.76845 1.89596 -238.10341 397.75920
6890.0000 -242.31480 -237.33418 4.98061 1.93040 -237.39149 423.62688
6895.0000 -243.53978 -238.82986 4.70992 1.87890 -238.45622 381.83770
6900.0000 -242.58815 -238.18913 4.39903 1.90041 -238.01153 397.64261
6905.0000 -243.19840 -238.77533 4.42308 1.89138 -238.19805 391.99751
6910.0000 -242.90937 -237.22667 5.68269 1.91864 -237.63468 412.51916
6915.0000 -242.98926 -238.32415 4.66511 1.91253 -237.76094 409.58609
6920.0000 -242.73064 -238.10325 4.62739 1.91380 -237.73459 404.95572
6925.0000 -242.29474 -237.68917 4.60556 1.90295 -237.95904 403.20568
6930.0000 -242.79450 -237.80893 4.98557 1.89533 -238.11642 396.17256
6935.0000 -242.71371 -237.41850 5.29521 1.90538 -237.90877 405.54861
6940.0000 -242.64674 -237.55951 5.08722 1.91908 -237.62540 411.81534
6945.0000 -242.27636 -237.54144 4.73492 1.91056 -237.80165 407.09973
6950.0000 -242.74164 -237.80663 4.93502 1.92644 -237.47328 418.09396
6955.0000 -243.32686 -238.86613 4.46073 1.87869 -238.46055 385.28028
6960.0000 -243.44077 -238.73365 4.70712 1.86701 -238.70190 373.77464
6965.0000 -243.63558 -238.34496 5.29062 1.89578 -238.10722 394.51416
6970.0000 -243.26012 -238.41546 4.84466 1.89161 -238.19340 392.03717
6975.0000 -243.60401 -238.60191 5.00210 1.86787 -238.68423 377.02747
6980.0000 -243.26708 -239.15223 4.11484 1.86652 -238.71209 373.69610
6985.0000 -243.65958 -238.95051 4.70907 1.87286 -238.58112 377.23438
6990.0000 -242.78225 -237.69060 5.09165 1.89449 -238.13395 396.31828
6995.0000 -242.61550 -237.77015 4.84536 1.90388 -237.93977 403.81780
7000.0000 -242.25482 -237.08498 5.16984 1.93440 -237.30873 427.81609
FREEZING PROCESS: loop number 29 T-loop= 379.00000000000000
main_MD> interactions number 29 at Temperature= 379.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.16959 0.33393 -0.45739
force_rgl> df(natom) 1.25178 -1.15637 -1.41905
7005.0000 -242.59314 -236.95659 5.63655 1.92543 -237.49429 421.12346
7010.0000 -243.94016 -239.37030 4.56986 1.86671 -238.70818 375.03843
7015.0000 -242.77931 -238.11569 4.66362 1.85882 -238.87125 368.73789
7020.0000 -242.58958 -238.05042 4.53916 1.89316 -238.16134 393.31415
7025.0000 -243.03470 -238.63178 4.40292 1.87592 -238.51776 383.19711
7030.0000 -243.68656 -239.44253 4.24403 1.86025 -238.84167 368.12579
7035.0000 -243.90063 -238.84381 5.05682 1.84323 -239.19360 355.76824
7040.0000 -243.64666 -239.29074 4.35592 1.88294 -238.37270 388.63114
7045.0000 -243.68640 -238.67228 5.01412 1.83745 -239.31308 351.75832
7050.0000 -243.18872 -239.00527 4.18345 1.84200 -239.21893 355.27831
7055.0000 -243.51544 -238.98068 4.53476 1.86365 -238.77148 370.05967
7060.0000 -243.65074 -239.03011 4.62064 1.83825 -239.29648 352.65400
7065.0000 -243.25890 -238.00497 5.25394 1.88416 -238.34746 388.11391
7070.0000 -243.11497 -238.41779 4.69718 1.87600 -238.51613 382.49228
7075.0000 -243.45461 -238.58758 4.86703 1.88317 -238.36778 385.68085
7080.0000 -242.67900 -238.56729 4.11172 1.86715 -238.69902 373.07022
7085.0000 -243.57384 -238.37126 5.20258 1.88130 -238.40662 387.39473
7090.0000 -243.37912 -238.47308 4.90604 1.89808 -238.05953 400.78249
7095.0000 -243.30207 -237.76126 5.54081 1.89417 -238.14051 397.75763
7100.0000 -242.76246 -238.31759 4.44487 1.90602 -237.89542 406.90913
7105.0000 -243.21035 -238.67812 4.53223 1.87851 -238.46413 383.79879
7110.0000 -243.60409 -239.18494 4.41914 1.85575 -238.93478 366.45478
7115.0000 -243.12323 -239.00557 4.11766 1.84067 -239.24645 354.10071
7120.0000 -243.75214 -239.03186 4.72028 1.84898 -239.07466 358.93851
7125.0000 -242.83655 -238.15478 4.68177 1.87154 -238.60838 379.44910
7130.0000 -243.10298 -238.71866 4.38432 1.88724 -238.28370 392.03264
7135.0000 -243.33885 -238.13134 5.20752 1.87432 -238.55090 380.86417
7140.0000 -244.15413 -239.46383 4.69030 1.88142 -238.40399 386.51222
7145.0000 -243.23062 -238.74985 4.48077 1.84841 -239.08646 360.06504
7150.0000 -243.08667 -238.80839 4.27827 1.86598 -238.72326 373.39495
7155.0000 -243.22877 -238.28430 4.94447 1.88809 -238.26608 388.91806
7160.0000 -242.87974 -238.92573 3.95401 1.87527 -238.53122 382.25245
7165.0000 -243.96904 -239.60990 4.35914 1.82985 -239.47015 343.55750
7170.0000 -242.86145 -237.82633 5.03512 1.88787 -238.27078 391.33747
7175.0000 -243.07427 -238.40404 4.67024 1.90220 -237.97445 401.28352
7180.0000 -242.57396 -239.07808 3.49588 1.86398 -238.76460 371.50881
7185.0000 -242.78628 -238.57456 4.21172 1.87039 -238.63204 375.59390
7190.0000 -243.60151 -239.00832 4.59319 1.86161 -238.81358 369.16440
7195.0000 -243.08150 -238.23610 4.84540 1.88080 -238.41688 386.62129
7200.0000 -242.66505 -238.28320 4.38185 1.88288 -238.37383 384.84005
7205.0000 -243.66112 -239.09463 4.56648 1.87715 -238.49227 382.35861
7210.0000 -243.04305 -238.64018 4.40286 1.85292 -238.99328 364.49482
7215.0000 -243.22875 -238.27563 4.95312 1.88206 -238.39081 386.97019
7220.0000 -243.52796 -238.77310 4.75486 1.86722 -238.69769 377.83192
7225.0000 -243.68983 -239.59272 4.09712 1.83825 -239.29645 352.78502
7230.0000 -243.61150 -239.06240 4.54910 1.83322 -239.40052 348.39462
7235.0000 -243.15101 -238.33807 4.81294 1.85700 -238.90886 368.29340
7240.0000 -242.53553 -237.68807 4.84746 1.89025 -238.22140 391.45679
7245.0000 -242.68730 -238.24393 4.44338 1.89659 -238.09047 395.94149
7250.0000 -242.81057 -238.04115 4.76941 1.89889 -238.04281 396.74876
FREEZING PROCESS: loop number 30 T-loop= 354.00000000000000
main_MD> interactions number 30 at Temperature= 354.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.07551 1.75096 -0.44584
force_rgl> df(natom) -0.42007 1.23136 1.92637
7255.0000 -243.21457 -238.78473 4.42984 1.86496 -238.74443 369.81801
7260.0000 -243.36701 -239.40555 3.96146 1.84554 -239.14591 355.45411
7265.0000 -243.49596 -239.50525 3.99070 1.83627 -239.33751 348.91949
7270.0000 -243.70168 -239.45656 4.24512 1.83679 -239.32674 351.39285
7275.0000 -243.65928 -239.60270 4.05657 1.82851 -239.49795 345.75858
7280.0000 -243.06624 -238.51567 4.55057 1.85249 -239.00213 361.28892
7285.0000 -243.54872 -238.73904 4.80968 1.85298 -238.99195 363.97765
7290.0000 -243.23397 -238.30237 4.93160 1.85892 -238.86914 367.74442
7295.0000 -243.42189 -238.74021 4.68169 1.86440 -238.75598 371.37935
7300.0000 -243.92500 -239.82231 4.10269 1.83061 -239.45440 345.08139
7305.0000 -244.05456 -239.87263 4.18193 1.82305 -239.61078 339.83534
7310.0000 -244.26072 -239.66989 4.59083 1.82544 -239.56130 344.80951
7315.0000 -243.35757 -239.53982 3.81775 1.80633 -239.95642 326.82871
7320.0000 -243.39434 -239.02193 4.37241 1.84680 -239.11983 358.42068
7325.0000 -243.45224 -238.95988 4.49236 1.84887 -239.07697 358.90100
7330.0000 -243.92597 -239.83562 4.09035 1.84055 -239.24890 357.25930
7335.0000 -243.33465 -239.13535 4.19929 1.84003 -239.25977 353.36350
7340.0000 -243.49352 -238.79893 4.69459 1.86875 -238.66598 374.55085
7345.0000 -243.26033 -238.15710 5.10323 1.87884 -238.45741 383.82681
7350.0000 -243.21591 -238.53972 4.67619 1.87401 -238.55728 382.03119
7355.0000 -243.18642 -238.12624 5.06018 1.87134 -238.61240 379.29824
7360.0000 -243.44243 -238.70695 4.73548 1.88852 -238.25734 390.36804
7365.0000 -243.62372 -239.60584 4.01788 1.84126 -239.23439 355.88560
7370.0000 -244.20567 -239.81963 4.38605 1.81010 -239.87852 330.26235
7375.0000 -243.36597 -238.83424 4.53173 1.84295 -239.19929 355.46659
7380.0000 -243.08453 -238.54145 4.54308 1.86520 -238.73945 373.83019
7385.0000 -243.57653 -239.44421 4.13232 1.86820 -238.67742 374.08417
7390.0000 -243.43875 -239.97160 3.46715 1.82468 -239.57705 341.27273
7395.0000 -243.45421 -239.13290 4.32131 1.82324 -239.60681 338.42074
7400.0000 -243.73489 -239.42147 4.31341 1.84484 -239.16020 358.31559
7405.0000 -243.92386 -239.55647 4.36740 1.83939 -239.27295 349.69643
7410.0000 -244.29405 -239.83569 4.45837 1.81531 -239.77069 335.35464
7415.0000 -243.31746 -239.17079 4.14666 1.82776 -239.51339 342.64608
7420.0000 -243.46809 -239.11249 4.35560 1.84082 -239.24339 354.76315
7425.0000 -243.97066 -239.68063 4.29003 1.82142 -239.64442 339.94408
7430.0000 -243.00724 -238.36780 4.63944 1.83296 -239.40597 350.23772
7435.0000 -243.37636 -238.70202 4.67434 1.86412 -238.76177 374.10306
7440.0000 -243.77636 -239.69212 4.08424 1.84137 -239.23196 358.27874
7445.0000 -243.19826 -238.78734 4.41091 1.83702 -239.32202 356.84630
7450.0000 -243.90732 -239.80873 4.09859 1.84757 -239.10383 360.07469
7455.0000 -244.01225 -239.75601 4.25624 1.82905 -239.48667 343.01647
7460.0000 -244.20941 -239.28407 4.92534 1.83251 -239.41515 348.48160
7465.0000 -244.46741 -240.39276 4.07465 1.81837 -239.70757 336.40971
7470.0000 -244.06616 -239.73521 4.33095 1.79004 -240.29322 313.60821
7475.0000 -243.31294 -238.96345 4.34949 1.81481 -239.78108 336.16014
7480.0000 -243.62735 -238.98756 4.63979 1.86129 -238.82026 371.52171
7485.0000 -242.94671 -238.97035 3.97636 1.84307 -239.19693 356.14662
7490.0000 -243.04395 -238.96446 4.07948 1.86378 -238.76881 376.60302
7495.0000 -243.55604 -239.31238 4.24366 1.82727 -239.52353 341.98985
7500.0000 -243.64457 -238.94414 4.70043 1.88402 -238.35026 384.54974
FREEZING PROCESS: loop number 31 T-loop= 329.00000000000000
main_MD> interactions number 31 at Temperature= 329.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02295 -4.04761 -2.41657
force_rgl> df(natom) -1.36694 -1.34150 0.68636
7505.0000 -243.60546 -239.59683 4.00863 1.83716 -239.31910 349.34122
7510.0000 -243.10948 -239.08882 4.02066 1.84257 -239.20718 356.88086
7515.0000 -244.01379 -240.03037 3.98342 1.83508 -239.36197 347.98539
7520.0000 -243.89194 -240.25521 3.63672 1.78843 -240.32658 311.24024
7525.0000 -243.57118 -239.58520 3.98598 1.78728 -240.35036 310.75547
7530.0000 -243.97455 -239.24741 4.72714 1.81872 -239.70034 340.38628
7535.0000 -242.95534 -238.96015 3.99519 1.83369 -239.39077 347.39111
7540.0000 -243.43476 -239.53142 3.90334 1.84419 -239.17371 355.66315
7545.0000 -244.16947 -240.23655 3.93292 1.82849 -239.49837 343.10238
7550.0000 -244.49487 -240.72572 3.76914 1.79597 -240.17062 319.06143
7555.0000 -244.08400 -240.14429 3.93970 1.80065 -240.07379 321.87828
7560.0000 -244.62644 -240.35534 4.27111 1.79477 -240.19536 315.90960
7565.0000 -243.87892 -239.48115 4.39777 1.81250 -239.82885 331.16425
7570.0000 -243.89391 -239.89129 4.00261 1.81152 -239.84920 333.64533
7575.0000 -243.41623 -239.35301 4.06322 1.81818 -239.71155 335.48846
7580.0000 -243.85753 -239.53431 4.32322 1.84315 -239.19520 354.50466
7585.0000 -243.69950 -239.59254 4.10696 1.81429 -239.79182 332.37552
7590.0000 -243.87733 -239.81911 4.05822 1.81601 -239.75622 332.99985
7595.0000 -243.68144 -240.13636 3.54508 1.77900 -240.52154 305.11162
7600.0000 -243.93053 -239.71669 4.21384 1.80241 -240.03744 324.49651
7605.0000 -243.81212 -240.37996 3.43216 1.80107 -240.06522 321.34273
7610.0000 -243.94771 -239.92481 4.02289 1.79651 -240.15939 320.10247
7615.0000 -243.96643 -240.41439 3.55204 1.79841 -240.12024 321.98293
7620.0000 -244.17466 -240.27790 3.89675 1.78792 -240.33705 312.65716
7625.0000 -243.66790 -239.05278 4.61512 1.81006 -239.87936 329.03674
7630.0000 -243.45672 -238.86188 4.59484 1.85485 -238.95329 363.11631
7635.0000 -243.94116 -239.76961 4.17155 1.84529 -239.15108 357.69286
7640.0000 -243.74114 -239.78790 3.95323 1.83126 -239.44108 347.25991
7645.0000 -243.59653 -239.25682 4.33971 1.82407 -239.58971 339.08156
7650.0000 -244.25259 -239.71705 4.53554 1.84818 -239.09122 360.09713
7655.0000 -243.70575 -239.78938 3.91637 1.80752 -239.93180 326.53295
7660.0000 -244.24687 -240.21779 4.02908 1.81378 -239.80245 333.57621
7665.0000 -244.24780 -239.77381 4.47399 1.80612 -239.96083 327.22438
7670.0000 -243.86373 -239.85716 4.00657 1.83001 -239.46687 343.20145
7675.0000 -244.11758 -240.15729 3.96029 1.80678 -239.94723 326.83902
7680.0000 -244.06043 -240.02299 4.03744 1.80104 -240.06588 322.86007
7685.0000 -243.62719 -239.41672 4.21048 1.80668 -239.94929 327.45477
7690.0000 -243.19364 -239.41878 3.77486 1.83088 -239.44881 346.74066
7695.0000 -244.02141 -239.85117 4.17024 1.82533 -239.56368 342.44161
7700.0000 -243.75435 -239.88454 3.86981 1.79979 -240.09167 320.80343
7705.0000 -244.23131 -240.09008 4.14123 1.79497 -240.19134 319.10673
7710.0000 -243.83407 -240.16951 3.66457 1.78488 -240.39985 308.56512
7715.0000 -243.85157 -239.70843 4.14314 1.80500 -239.98400 325.98719
7720.0000 -244.26115 -240.28405 3.97710 1.80318 -240.02156 321.62274
7725.0000 -243.91806 -240.12197 3.79609 1.78620 -240.37254 311.35838
7730.0000 -243.83513 -239.76187 4.07326 1.79198 -240.25313 314.13883
7735.0000 -242.57482 -238.14826 4.42656 1.83886 -239.28402 352.03089
7740.0000 -243.54963 -239.43506 4.11457 1.87321 -238.57376 378.39830
7745.0000 -243.86290 -239.68004 4.18286 1.82790 -239.51060 342.68287
7750.0000 -244.26346 -240.50990 3.75356 1.81504 -239.77629 334.42588
FREEZING PROCESS: loop number 32 T-loop= 304.00000000000000
main_MD> interactions number 32 at Temperature= 304.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.94107 -0.40114 0.08259
force_rgl> df(natom) -1.51656 -0.48759 -4.66160
7755.0000 -244.01184 -240.26486 3.74698 1.78854 -240.32429 312.79107
7760.0000 -244.09043 -240.23657 3.85386 1.78976 -240.29907 313.10163
7765.0000 -244.22779 -240.07533 4.15246 1.80393 -240.00604 322.25980
7770.0000 -244.25176 -240.66500 3.58676 1.79073 -240.27906 313.16996
7775.0000 -244.61706 -241.23591 3.38115 1.75529 -241.01158 284.96434
7780.0000 -244.74065 -240.95000 3.79066 1.76456 -240.81991 293.37876
7785.0000 -244.48843 -241.11782 3.37062 1.76299 -240.85239 291.87798
7790.0000 -244.13846 -240.35289 3.78557 1.77355 -240.63408 300.56898
7795.0000 -243.71475 -239.59852 4.11623 1.81138 -239.85196 330.84205
7800.0000 -243.90272 -239.88776 4.01496 1.81666 -239.74281 338.16038
7805.0000 -244.78800 -240.92214 3.86586 1.78119 -240.47626 306.90736
7810.0000 -244.42759 -240.77558 3.65201 1.75876 -240.93987 288.16285
7815.0000 -244.25157 -240.77954 3.47203 1.78280 -240.44296 310.48073
7820.0000 -244.47391 -240.92282 3.55109 1.75017 -241.11739 282.82845
7825.0000 -244.61324 -240.99681 3.61644 1.74824 -241.15739 281.37731
7830.0000 -244.10315 -240.26340 3.83975 1.76737 -240.76186 295.27155
7835.0000 -243.91787 -240.43925 3.47862 1.77751 -240.55233 303.30618
7840.0000 -243.85032 -239.98518 3.86515 1.79457 -240.19959 322.06632
7845.0000 -244.36126 -240.06558 4.29568 1.81371 -239.80390 335.41567
7850.0000 -244.13609 -240.61480 3.52129 1.79196 -240.25347 316.30046
7855.0000 -244.72057 -240.99213 3.72843 1.77251 -240.65565 301.34891
7860.0000 -244.12180 -240.36825 3.75355 1.75891 -240.93687 291.46245
7865.0000 -244.60944 -240.50229 4.10715 1.77297 -240.64608 299.89694
7870.0000 -244.28991 -240.74025 3.54967 1.77020 -240.70332 300.38109
7875.0000 -243.82537 -240.42845 3.39691 1.78152 -240.46940 310.06042
7880.0000 -244.43430 -240.98907 3.44523 1.76838 -240.74110 297.23367
7885.0000 -244.40635 -240.51315 3.89320 1.75726 -240.97093 289.08066
7890.0000 -244.47906 -240.90763 3.57143 1.76477 -240.81558 295.22320
7895.0000 -243.72622 -240.18202 3.54420 1.76380 -240.83572 292.59156
7900.0000 -244.02476 -240.64551 3.37925 1.78807 -240.33389 312.39795
7905.0000 -244.28320 -240.72987 3.55333 1.75524 -241.01268 287.89671
7910.0000 -244.23620 -240.29837 3.93783 1.76610 -240.78807 295.02421
7915.0000 -244.43976 -240.40372 4.03604 1.79566 -240.17701 315.24229
7920.0000 -244.72771 -240.56707 4.16064 1.77741 -240.55423 302.23086
7925.0000 -244.28195 -240.51828 3.76367 1.79284 -240.23534 316.11283
7930.0000 -244.59385 -241.35838 3.23547 1.76629 -240.78422 297.48021
7935.0000 -243.91422 -240.56620 3.34802 1.76235 -240.86572 291.51803
7940.0000 -243.63326 -240.19872 3.43455 1.79233 -240.24579 314.76889
7945.0000 -244.41762 -240.07193 4.34569 1.79439 -240.20330 318.01201
7950.0000 -244.20725 -240.31647 3.89077 1.78015 -240.49770 306.05753
7955.0000 -244.04782 -239.65243 4.39539 1.80132 -240.06012 322.79412
7960.0000 -244.32957 -240.61813 3.71144 1.78220 -240.45527 308.16710
7965.0000 -244.83581 -241.68497 3.15084 1.73301 -241.47227 266.67277
7970.0000 -244.10761 -240.60318 3.50443 1.75713 -240.97366 285.96741
7975.0000 -244.43954 -240.90360 3.53594 1.77232 -240.65957 300.72578
7980.0000 -244.33977 -240.69246 3.64731 1.76745 -240.76020 296.18725
7985.0000 -244.12839 -240.47468 3.65371 1.77418 -240.62101 300.46897
7990.0000 -244.32665 -240.44352 3.88313 1.77994 -240.50201 304.48314
7995.0000 -244.00405 -240.14684 3.85721 1.78745 -240.34682 311.75805
8000.0000 -244.23263 -240.71675 3.51588 1.78102 -240.47980 306.24579
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 21.8674538 [s].
main_MD> Deallocating global variables
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