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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_88/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_88.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 = 88 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 88 8800
main_MD> Size of nv and nvoiz: 88 8800
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 = 88
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> 2.6136050204701566E-002 -2.6518933448312122E-002 7.2385443682344300E-002 initial drift of cluster / NP1 for coalescence
init> 0.27947883919035421 0.31195396972852357 0.30270661282995154 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7454836224892576E-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) 0.30038 -0.64861 1.00680
force_rgl> df(natom) 3.85127 5.22545 -1.92249
preparo> THERMALIZATION PROCESS AT 1212.0089157752145
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -191.59783735442059 17.254546555661843 -208.85238391008244 7.2175614667877714E-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 36
FREEZING PROCESS: loop number 1 T-loop= 1192.0000000000000
main_MD> interactions number 1 at Temperature= 1192.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.78101 -0.75773 -1.70879
force_rgl> df(natom) -4.79996 0.17720 -2.83708
5.0000 -206.97179 -192.80647 14.16532 3.39357 -192.46037 1246.03447
10.0000 -209.79387 -196.57652 13.21735 3.33241 -193.67052 1239.77265
15.0000 -209.86938 -195.80514 14.06424 3.25507 -195.20051 1198.74930
20.0000 -209.84489 -195.22951 14.61539 3.23873 -195.52383 1183.65045
25.0000 -207.44208 -195.60792 11.83416 3.21394 -196.01424 1173.39645
30.0000 -208.93724 -195.19257 13.74467 3.26274 -195.04873 1189.14559
35.0000 -206.37989 -191.78838 14.59150 3.36591 -193.00771 1244.44780
40.0000 -207.22797 -194.65892 12.56905 3.34537 -193.41408 1255.87159
45.0000 -206.81859 -192.93754 13.88105 3.31201 -194.07404 1233.73216
50.0000 -209.01294 -193.75335 15.25959 3.31023 -194.10920 1225.20114
55.0000 -208.71412 -195.94803 12.76608 3.25808 -195.14104 1220.45375
60.0000 -205.54937 -189.87776 15.67161 3.39599 -192.41247 1258.78214
65.0000 -207.43047 -194.89874 12.53173 3.31891 -193.93743 1227.36738
70.0000 -209.47792 -194.38971 15.08821 3.30697 -194.17382 1222.92305
75.0000 -206.36591 -193.62130 12.74461 3.31533 -194.00827 1216.17909
80.0000 -206.66230 -192.78728 13.87503 3.34035 -193.51326 1218.61615
85.0000 -206.98370 -193.06510 13.91860 3.32508 -193.81543 1239.02024
90.0000 -208.63649 -192.91092 15.72557 3.35648 -193.19422 1273.75943
95.0000 -207.96075 -193.76097 14.19979 3.34800 -193.36203 1236.49542
100.0000 -209.21530 -195.64728 13.56802 3.28481 -194.61212 1187.73976
105.0000 -209.18605 -196.53463 12.65143 3.21223 -196.04820 1160.40926
110.0000 -211.61108 -197.82392 13.78717 3.15864 -197.10838 1149.27410
115.0000 -206.53014 -194.48359 12.04655 3.21481 -195.99700 1159.84782
120.0000 -204.95465 -192.06461 12.89004 3.43028 -191.73410 1284.61848
125.0000 -209.23773 -195.23105 14.00668 3.36732 -192.97971 1235.46775
130.0000 -210.60995 -197.61719 12.99276 3.21234 -196.04603 1182.40244
135.0000 -209.46405 -197.00607 12.45797 3.09269 -198.41314 1082.72999
140.0000 -207.87755 -193.91132 13.96623 3.25322 -195.23715 1171.77154
145.0000 -209.81508 -194.94298 14.87211 3.23919 -195.51466 1168.28002
150.0000 -205.75243 -191.03821 14.71422 3.37650 -192.79812 1310.50130
155.0000 -207.11568 -193.35394 13.76173 3.37986 -192.73173 1280.84521
160.0000 -208.72645 -193.36597 15.36048 3.34553 -193.41079 1231.91235
165.0000 -207.54396 -194.69097 12.85300 3.34784 -193.36514 1222.00537
170.0000 -208.23129 -195.57246 12.65883 3.21790 -195.93588 1163.56188
175.0000 -208.89132 -196.83093 12.06039 3.20556 -196.18005 1161.63956
180.0000 -210.34782 -198.95471 11.39311 3.11973 -197.87827 1099.64743
185.0000 -206.81095 -193.95599 12.85495 3.16980 -196.88754 1138.07521
190.0000 -207.25488 -193.53390 13.72099 3.26869 -194.93112 1205.83399
195.0000 -207.70509 -195.27939 12.42570 3.40109 -192.31173 1315.29110
200.0000 -208.67218 -195.35490 13.31728 3.24680 -195.36423 1214.04560
205.0000 -208.38430 -195.75762 12.62668 3.31767 -193.96200 1234.30241
210.0000 -208.66879 -198.45968 10.20911 3.20919 -196.10829 1181.54839
215.0000 -210.42901 -197.01602 13.41300 3.11695 -197.93316 1112.40803
220.0000 -210.75589 -199.40301 11.35289 3.13586 -197.55910 1101.70109
225.0000 -211.26567 -197.92611 13.33956 3.12603 -197.75362 1099.92369
230.0000 -209.52327 -196.44311 13.08016 3.18386 -196.60950 1129.26722
235.0000 -209.07721 -194.67562 14.40159 3.20417 -196.20763 1186.31769
240.0000 -209.38970 -194.63636 14.75334 3.23648 -195.56828 1172.63740
245.0000 -207.22118 -194.94839 12.27279 3.32396 -193.83770 1238.34948
250.0000 -210.71511 -197.59496 13.12014 3.20686 -196.15431 1163.94645
FREEZING PROCESS: loop number 2 T-loop= 1167.0000000000000
main_MD> interactions number 2 at Temperature= 1167.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.45389 -1.09590 -3.37516
force_rgl> df(natom) -0.45762 1.73810 0.76688
255.0000 -210.80771 -198.15622 12.65148 3.13282 -197.61918 1139.05620
260.0000 -211.56204 -199.01905 12.54299 3.14124 -197.45255 1126.43500
265.0000 -211.55216 -198.27101 13.28115 3.07257 -198.81111 1065.07735
270.0000 -211.18691 -198.78497 12.40193 3.07040 -198.85416 1087.24620
275.0000 -209.01298 -196.51990 12.49308 3.12099 -197.85325 1108.21960
280.0000 -210.66291 -197.58441 13.07850 3.19917 -196.30650 1151.03188
285.0000 -209.18750 -196.53788 12.64961 3.14516 -197.37509 1090.69649
290.0000 -209.19184 -194.16727 15.02457 3.24397 -195.42013 1192.77430
295.0000 -207.75029 -195.45926 12.29103 3.24602 -195.37956 1164.92552
300.0000 -204.78309 -193.21876 11.56432 3.26005 -195.10212 1188.99206
305.0000 -209.36869 -193.66155 15.70714 3.39627 -192.40696 1269.77939
310.0000 -210.57913 -196.49964 14.07948 3.25958 -195.11126 1203.31588
315.0000 -208.11169 -195.60322 12.50847 3.18818 -196.52402 1145.00684
320.0000 -207.74189 -195.56574 12.17615 3.25668 -195.16861 1179.50928
325.0000 -210.44911 -199.21026 11.23886 3.09005 -198.46527 1082.98906
330.0000 -207.48976 -195.56888 11.92087 3.15861 -197.10897 1138.60858
335.0000 -207.96480 -193.99823 13.96656 3.25192 -195.26296 1191.96574
340.0000 -209.38928 -196.27603 13.11325 3.20782 -196.13545 1168.26989
345.0000 -209.04555 -194.86403 14.18152 3.23864 -195.52569 1166.43623
350.0000 -208.05039 -194.30295 13.74744 3.27517 -194.80281 1237.76447
355.0000 -210.42102 -194.90946 15.51155 3.24714 -195.35744 1178.91651
360.0000 -209.90013 -198.45465 11.44548 3.21717 -195.95045 1160.47625
365.0000 -209.29982 -196.07782 13.22200 3.13094 -197.65642 1108.04744
370.0000 -207.72565 -194.25194 13.47371 3.26006 -195.10188 1176.10931
375.0000 -208.32548 -193.86786 14.45762 3.27847 -194.73764 1224.99389
380.0000 -207.35738 -193.57267 13.78471 3.29279 -194.45435 1221.26035
385.0000 -207.44723 -195.07500 12.37223 3.29237 -194.46255 1213.38458
390.0000 -209.02710 -195.79808 13.22902 3.25234 -195.25458 1192.75730
395.0000 -209.15439 -198.32085 10.83355 3.13977 -197.48162 1124.75001
400.0000 -207.25934 -195.78052 11.47882 3.20862 -196.11962 1172.37293
405.0000 -211.04937 -196.40562 14.64375 3.21404 -196.01228 1175.94500
410.0000 -210.89296 -198.85891 12.03405 3.11361 -197.99918 1121.83863
415.0000 -209.13312 -196.50384 12.62929 3.09332 -198.40065 1082.56176
420.0000 -207.35214 -194.35987 12.99227 3.29208 -194.46827 1215.12904
425.0000 -208.58444 -196.33201 12.25243 3.25290 -195.24354 1169.49941
430.0000 -210.48900 -195.50341 14.98559 3.18415 -196.60357 1144.88122
435.0000 -207.82080 -195.35569 12.46511 3.23252 -195.64677 1175.05475
440.0000 -207.37119 -193.32777 14.04342 3.27077 -194.88998 1180.66313
445.0000 -206.68086 -192.81766 13.86320 3.38721 -192.58619 1252.99606
450.0000 -208.43497 -193.99953 14.43545 3.40868 -192.16140 1270.59567
455.0000 -206.21203 -195.26198 10.95005 3.30046 -194.30259 1220.62653
460.0000 -207.76756 -192.52125 15.24631 3.33249 -193.66889 1220.68865
465.0000 -208.29913 -194.43134 13.86779 3.30787 -194.15588 1229.10492
470.0000 -207.66915 -194.76703 12.90211 3.25460 -195.20981 1213.74377
475.0000 -211.23741 -198.07633 13.16108 3.17731 -196.73906 1177.82880
480.0000 -208.87363 -195.66462 13.20901 3.16219 -197.03816 1119.40280
485.0000 -208.43624 -197.13122 11.30503 3.23573 -195.58318 1176.87484
490.0000 -209.66604 -197.01192 12.65412 3.19498 -196.38936 1134.64479
495.0000 -212.33051 -198.61046 13.72005 3.12665 -197.74121 1126.58539
500.0000 -209.50103 -196.43218 13.06885 3.19774 -196.33472 1162.95045
FREEZING PROCESS: loop number 3 T-loop= 1142.0000000000000
main_MD> interactions number 3 at Temperature= 1142.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37271 0.81482 0.86393
force_rgl> df(natom) 6.20203 -5.45276 -5.01620
505.0000 -209.12182 -197.08523 12.03659 3.18318 -196.62292 1129.62167
510.0000 -207.38937 -193.92779 13.46158 3.21813 -195.93143 1158.78679
515.0000 -208.18718 -193.76207 14.42511 3.32469 -193.82319 1236.34183
520.0000 -208.97944 -193.56903 15.41041 3.36444 -193.03674 1260.07873
525.0000 -207.79930 -193.73040 14.06891 3.37088 -192.90940 1264.81794
530.0000 -210.39912 -198.04171 12.35741 3.24002 -195.49832 1178.73926
535.0000 -209.33061 -196.38255 12.94806 3.11005 -198.06978 1081.68087
540.0000 -211.33784 -198.47468 12.86315 3.20370 -196.21693 1141.44858
545.0000 -208.23700 -195.08265 13.15434 3.15786 -197.12378 1134.46577
550.0000 -211.94111 -200.37170 11.56940 3.11250 -198.02124 1114.63051
555.0000 -208.24359 -197.59467 10.64892 3.13060 -197.66318 1138.23631
560.0000 -208.33573 -195.67009 12.66564 3.15387 -197.20280 1133.96517
565.0000 -209.78763 -197.41480 12.37283 3.19740 -196.34155 1132.71356
570.0000 -209.32688 -198.05227 11.27461 3.11303 -198.01067 1088.16790
575.0000 -210.63507 -198.83565 11.79942 3.12408 -197.79207 1111.67062
580.0000 -209.04712 -195.62945 13.41766 3.13961 -197.48477 1109.85820
585.0000 -208.52762 -194.32563 14.20199 3.26232 -195.05707 1200.08342
590.0000 -210.87713 -197.25669 13.62045 3.21844 -195.92524 1172.42629
595.0000 -210.38878 -198.25734 12.13145 3.13658 -197.54481 1116.89040
600.0000 -207.07587 -195.12571 11.95015 3.25805 -195.14152 1186.97411
605.0000 -208.00651 -194.14852 13.85798 3.28949 -194.51955 1221.90007
610.0000 -209.24615 -195.73812 13.50803 3.28954 -194.51865 1190.97024
615.0000 -209.02159 -193.88590 15.13569 3.34791 -193.36368 1262.97357
620.0000 -210.39475 -195.98565 14.40910 3.31760 -193.96350 1222.95876
625.0000 -207.83874 -196.82216 11.01658 3.18234 -196.63951 1129.70276
630.0000 -209.10164 -198.21899 10.88264 3.15813 -197.11855 1132.49321
635.0000 -212.67920 -198.80262 13.87658 3.00871 -200.07466 1044.69470
640.0000 -211.00048 -198.94670 12.05378 3.05806 -199.09825 1063.99658
645.0000 -210.90921 -198.92176 11.98744 3.05016 -199.25458 1052.77702
650.0000 -210.71521 -198.79189 11.92332 3.07794 -198.70489 1068.18288
655.0000 -210.87678 -196.87872 13.99806 3.12024 -197.86805 1103.55993
660.0000 -209.23202 -196.54862 12.68340 3.16729 -196.93723 1162.11245
665.0000 -210.32736 -198.14727 12.18009 3.09103 -198.44602 1047.45553
670.0000 -208.67845 -195.53151 13.14693 3.13397 -197.59641 1094.99541
675.0000 -209.17075 -196.72635 12.44440 3.22520 -195.79156 1163.23491
680.0000 -206.05111 -189.77668 16.27443 3.37208 -192.88559 1263.58074
685.0000 -207.47930 -193.96475 13.51455 3.39100 -192.51137 1285.22943
690.0000 -208.45887 -193.87197 14.58690 3.31808 -193.95390 1254.55481
695.0000 -204.94088 -190.83025 14.11063 3.36509 -193.02387 1258.31287
700.0000 -207.36018 -193.57531 13.78487 3.38616 -192.60711 1255.69581
705.0000 -207.59761 -193.29679 14.30082 3.28566 -194.59544 1205.37068
710.0000 -207.92186 -193.83948 14.08238 3.32243 -193.86794 1247.50926
715.0000 -207.56939 -194.68978 12.87961 3.27960 -194.71527 1219.51529
720.0000 -209.55252 -195.11954 14.43298 3.24908 -195.31904 1188.55170
725.0000 -209.30888 -194.53081 14.77807 3.29570 -194.39672 1227.42391
730.0000 -209.51850 -195.53919 13.97930 3.23408 -195.61587 1173.43435
735.0000 -211.16755 -198.55811 12.60944 3.20921 -196.10780 1160.90616
740.0000 -209.45525 -196.00395 13.45130 3.12550 -197.76404 1112.30596
745.0000 -210.25754 -197.87430 12.38323 3.14454 -197.38738 1144.19324
750.0000 -210.30874 -197.17381 13.13494 3.18167 -196.65278 1129.24774
FREEZING PROCESS: loop number 4 T-loop= 1117.0000000000000
main_MD> interactions number 4 at Temperature= 1117.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.87910 2.63999 5.59918
force_rgl> df(natom) 0.00084 -2.26433 2.44388
755.0000 -208.25400 -195.92248 12.33152 3.22963 -195.70379 1180.48949
760.0000 -209.63481 -196.09031 13.54450 3.27402 -194.82563 1186.78960
765.0000 -209.18062 -195.99987 13.18075 3.17297 -196.82492 1133.88542
770.0000 -209.71040 -195.25254 14.45786 3.21607 -195.97206 1191.25450
775.0000 -206.29169 -194.99820 11.29349 3.24317 -195.43608 1202.83053
780.0000 -208.56026 -195.98279 12.57747 3.28967 -194.51610 1218.25613
785.0000 -211.15768 -199.35180 11.80588 3.14434 -197.39135 1143.54443
790.0000 -211.18493 -199.45501 11.72992 3.06685 -198.92440 1072.38586
795.0000 -211.76427 -199.46118 12.30309 3.10038 -198.26096 1096.38143
800.0000 -209.55519 -197.25152 12.30367 3.17557 -196.77335 1135.75075
805.0000 -208.92230 -197.38007 11.54223 3.14561 -197.36610 1123.79064
810.0000 -209.20644 -194.76119 14.44525 3.28036 -194.70028 1233.23905
815.0000 -211.63119 -196.97867 14.65253 3.20978 -196.09657 1160.84631
820.0000 -209.05082 -195.78862 13.26220 3.25203 -195.26062 1190.30764
825.0000 -211.44845 -199.15771 12.29074 3.18146 -196.65694 1137.88179
830.0000 -210.70572 -198.99670 11.70903 3.06242 -199.01206 1084.77165
835.0000 -210.26822 -197.39177 12.87645 3.04122 -199.43139 1041.14342
840.0000 -211.49939 -200.00675 11.49264 3.05493 -199.16010 1070.02041
845.0000 -213.73078 -201.81903 11.91175 2.96766 -200.88669 1012.43840
850.0000 -211.52816 -199.77978 11.74838 2.94095 -201.41524 1008.21760
855.0000 -212.19660 -202.25676 9.93984 3.00054 -200.23636 1048.80716
860.0000 -212.28445 -200.43138 11.85307 2.99003 -200.44429 1033.28048
865.0000 -211.40299 -198.01294 13.39004 3.01291 -199.99149 1042.04834
870.0000 -211.47843 -197.40405 14.07439 3.08902 -198.48567 1095.00021
875.0000 -210.69684 -199.99195 10.70489 3.07673 -198.72900 1039.83244
880.0000 -211.61171 -198.29927 13.31245 3.02916 -199.67008 1034.97932
885.0000 -210.89686 -197.95309 12.94377 3.15904 -197.10053 1091.87372
890.0000 -210.38782 -199.19586 11.19196 3.11332 -198.00490 1080.87268
895.0000 -211.29633 -200.34433 10.95200 3.01521 -199.94604 1043.84806
900.0000 -213.86225 -202.43311 11.42914 2.96305 -200.97795 1014.43510
905.0000 -210.30782 -196.53988 13.76793 3.06258 -199.00879 1077.80224
910.0000 -212.60939 -201.24407 11.36532 3.08264 -198.61188 1086.21348
915.0000 -212.68657 -200.89752 11.78905 2.94181 -201.39830 999.24481
920.0000 -210.77252 -196.50025 14.27227 3.06947 -198.87254 1085.17113
925.0000 -207.59982 -195.76543 11.83439 3.19927 -196.30456 1113.82174
930.0000 -209.20568 -193.86852 15.33715 3.26061 -195.09102 1175.70965
935.0000 -207.32582 -193.50581 13.82001 3.33702 -193.57921 1228.05577
940.0000 -208.02290 -194.73443 13.28847 3.35911 -193.14212 1261.38683
945.0000 -208.40911 -195.32549 13.08361 3.22472 -195.80108 1175.76583
950.0000 -210.59606 -197.82831 12.76775 3.17198 -196.84443 1148.29911
955.0000 -208.21248 -195.35492 12.85756 3.21092 -196.07411 1184.82483
960.0000 -211.28756 -199.35826 11.92930 3.19897 -196.31052 1175.28651
965.0000 -211.24031 -197.92419 13.31612 3.10717 -198.12665 1078.59486
970.0000 -209.32538 -197.91540 11.40999 3.13814 -197.51396 1125.02233
975.0000 -211.42285 -198.34430 13.07855 3.10915 -198.08757 1085.33084
980.0000 -210.79009 -199.26098 11.52910 3.08308 -198.60319 1108.01456
985.0000 -209.78560 -195.93543 13.85017 3.13230 -197.62952 1113.00896
990.0000 -207.55214 -194.01862 13.53352 3.23185 -195.65990 1185.10788
995.0000 -210.97861 -199.23659 11.74201 3.18823 -196.52304 1171.82571
1000.0000 -213.41584 -201.41511 12.00072 2.99752 -200.29607 1028.08170
FREEZING PROCESS: loop number 5 T-loop= 1092.0000000000000
main_MD> interactions number 5 at Temperature= 1092.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76702 -1.16998 2.51219
force_rgl> df(natom) 0.38079 -2.06359 -1.24345
1005.0000 -210.45548 -197.69076 12.76472 3.06793 -198.90306 1086.11242
1010.0000 -211.23633 -199.27747 11.95886 3.12311 -197.81123 1084.25250
1015.0000 -208.85613 -195.15667 13.69946 3.13782 -197.52024 1114.51854
1020.0000 -209.38207 -196.29248 13.08959 3.26286 -195.04645 1169.18970
1025.0000 -209.89174 -197.12947 12.76227 3.18725 -196.54238 1146.15569
1030.0000 -210.16527 -196.40730 13.75797 3.16159 -197.04997 1123.18071
1035.0000 -210.34161 -197.47279 12.86882 3.15678 -197.14519 1126.96902
1040.0000 -210.28779 -197.99306 12.29473 3.13850 -197.50681 1127.59071
1045.0000 -212.23417 -198.65941 13.57476 3.07294 -198.80383 1076.84919
1050.0000 -210.99925 -199.50305 11.49620 3.10991 -198.07249 1100.91726
1055.0000 -211.79582 -200.09705 11.69877 3.02683 -199.71618 1057.46071
1060.0000 -210.86726 -199.45979 11.40747 2.99118 -200.42142 1013.57964
1065.0000 -211.40284 -199.40809 11.99475 3.08958 -198.47465 1083.05939
1070.0000 -212.37247 -200.78120 11.59126 2.99180 -200.40920 1005.89500
1075.0000 -212.59518 -199.48376 13.11142 3.03707 -199.51355 1052.25941
1080.0000 -212.85852 -197.21466 15.64386 3.11155 -198.04001 1101.80883
1085.0000 -212.20491 -199.06971 13.13520 3.06559 -198.94939 1102.93759
1090.0000 -211.45209 -199.82839 11.62369 3.03410 -199.57226 1072.38672
1095.0000 -210.96286 -199.19818 11.76468 3.10412 -198.18701 1112.37791
1100.0000 -213.19383 -200.47255 12.72128 2.95172 -201.20221 1009.23979
1105.0000 -211.51746 -197.04635 14.47112 3.08169 -198.63080 1113.08717
1110.0000 -211.54834 -198.49865 13.04970 3.19383 -196.41222 1151.38154
1115.0000 -212.18663 -198.68494 13.50169 3.05505 -199.15786 1074.08404
1120.0000 -210.61128 -197.65589 12.95539 3.14740 -197.33070 1139.03820
1125.0000 -212.27935 -199.10853 13.17081 3.08957 -198.47491 1113.54643
1130.0000 -213.11343 -201.40549 11.70793 2.94035 -201.42714 1020.80594
1135.0000 -214.56510 -202.95621 11.60888 2.94724 -201.29085 1032.87348
1140.0000 -212.83925 -200.44977 12.38948 2.95814 -201.07506 1005.61466
1145.0000 -209.67323 -198.67051 11.00272 3.00899 -200.06915 1065.89997
1150.0000 -209.37178 -197.43299 11.93879 3.14278 -197.42213 1105.25498
1155.0000 -209.67582 -198.24357 11.43225 3.09592 -198.34932 1096.41002
1160.0000 -211.77594 -199.64173 12.13422 3.06822 -198.89732 1060.25030
1165.0000 -212.05562 -199.43831 12.61732 2.97669 -200.70812 1032.66472
1170.0000 -211.95576 -199.97376 11.98200 3.03250 -199.60401 1049.40842
1175.0000 -209.95176 -198.02263 11.92913 3.06439 -198.97306 1041.31472
1180.0000 -209.22453 -198.99819 10.22634 3.04679 -199.32126 1030.82648
1185.0000 -212.04422 -200.23070 11.81352 3.03822 -199.49088 1070.33103
1190.0000 -210.13655 -198.34220 11.79435 3.03389 -199.57641 1053.60537
1195.0000 -209.75120 -195.84676 13.90444 3.09405 -198.38627 1113.94839
1200.0000 -210.32910 -198.14632 12.18278 3.16703 -196.94230 1141.26521
1205.0000 -212.77558 -198.41202 14.36356 3.09205 -198.42583 1097.54251
1210.0000 -212.12750 -198.51173 13.61577 3.06310 -198.99855 1061.81339
1215.0000 -210.07859 -197.74319 12.33540 3.09517 -198.36416 1071.33368
1220.0000 -208.60966 -195.60619 13.00347 3.20271 -196.23649 1133.41809
1225.0000 -210.21028 -195.02395 15.18633 3.23507 -195.59628 1182.45513
1230.0000 -212.31908 -200.30601 12.01307 3.11709 -197.93047 1120.08890
1235.0000 -211.76665 -198.71082 13.05584 3.02542 -199.74394 1037.47566
1240.0000 -211.81037 -198.88014 12.93023 3.13565 -197.56330 1109.89582
1245.0000 -209.31652 -196.90527 12.41125 3.11718 -197.92862 1083.92426
1250.0000 -209.04372 -196.00004 13.04368 3.21703 -195.95323 1145.92670
FREEZING PROCESS: loop number 6 T-loop= 1067.0000000000000
main_MD> interactions number 6 at Temperature= 1067.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.68339 2.18031 -0.61381
force_rgl> df(natom) -2.14546 -0.81194 -1.34481
1255.0000 -206.63198 -195.61026 11.02172 3.17098 -196.86418 1117.32585
1260.0000 -209.21760 -196.84734 12.37026 3.20879 -196.11625 1146.40941
1265.0000 -209.57296 -195.37715 14.19581 3.21046 -196.08315 1159.38031
1270.0000 -209.33439 -196.36987 12.96452 3.18802 -196.52708 1162.60930
1275.0000 -210.86344 -197.93340 12.93004 3.15404 -197.19933 1111.14765
1280.0000 -211.45910 -198.79724 12.66186 3.06013 -199.05722 1077.56665
1285.0000 -210.72889 -198.82205 11.90683 3.07690 -198.72551 1093.85092
1290.0000 -212.46804 -200.15614 12.31190 3.05519 -199.15510 1060.37016
1295.0000 -210.51805 -200.29218 10.22587 3.02765 -199.69988 1073.97287
1300.0000 -212.06900 -199.90107 12.16792 3.03234 -199.60715 1045.17312
1305.0000 -211.91787 -196.90848 15.00939 3.10317 -198.20586 1101.22595
1310.0000 -211.89096 -200.31353 11.57743 3.09194 -198.42789 1080.80379
1315.0000 -212.80293 -200.46659 12.33634 3.04584 -199.34007 1074.54625
1320.0000 -213.84157 -200.78532 13.05625 2.94299 -201.37495 998.63983
1325.0000 -211.30046 -200.24086 11.05960 3.01861 -199.87874 1044.67478
1330.0000 -209.51054 -196.42083 13.08971 3.13711 -197.53434 1106.79484
1335.0000 -209.46652 -195.79972 13.66680 3.16109 -197.05997 1121.32646
1340.0000 -211.20760 -198.59760 12.61000 3.20296 -196.23159 1151.17539
1345.0000 -211.39559 -199.53194 11.86365 3.08863 -198.49353 1067.57800
1350.0000 -211.39303 -199.60068 11.79235 2.99339 -200.37780 1036.34061
1355.0000 -213.42872 -202.77730 10.65142 2.95596 -201.11817 983.23262
1360.0000 -211.60324 -200.59577 11.00748 2.93769 -201.47978 1002.90913
1365.0000 -213.14259 -199.24173 13.90086 3.00775 -200.09368 1049.84495
1370.0000 -210.49079 -199.48095 11.00985 3.00658 -200.11686 1013.89607
1375.0000 -210.91178 -200.51405 10.39773 2.95406 -201.15588 996.89847
1380.0000 -211.65065 -199.36005 12.29060 3.02493 -199.75377 1039.25248
1385.0000 -208.69697 -196.94834 11.74864 3.11025 -198.06564 1090.39279
1390.0000 -212.55829 -198.60845 13.94984 3.08199 -198.62489 1082.79879
1395.0000 -210.24976 -198.26581 11.98395 3.13434 -197.58911 1132.52440
1400.0000 -210.48988 -199.38421 11.10568 3.03818 -199.49162 1020.61568
1405.0000 -211.98335 -199.74329 12.24007 3.05592 -199.14067 1068.29486
1410.0000 -211.81305 -202.06371 9.74934 3.00638 -200.12071 1015.47808
1415.0000 -212.26641 -201.17809 11.08832 2.92788 -201.67373 956.30174
1420.0000 -213.31298 -201.30920 12.00378 2.96541 -200.93126 996.85213
1425.0000 -211.16847 -198.10674 13.06174 3.03038 -199.64597 1040.56488
1430.0000 -212.74683 -200.10256 12.64427 3.07110 -198.84019 1069.24528
1435.0000 -212.05259 -198.97862 13.07397 3.01353 -199.97921 1041.03013
1440.0000 -211.80788 -199.81399 11.99389 3.06387 -198.98325 1078.15924
1445.0000 -213.23174 -198.84321 14.38854 3.09478 -198.37184 1100.20127
1450.0000 -211.33132 -200.26794 11.06339 3.04978 -199.26216 1066.19463
1455.0000 -211.46993 -199.73416 11.73576 3.01100 -200.02942 1029.47417
1460.0000 -209.18497 -196.60487 12.58010 3.15557 -197.16914 1146.72144
1465.0000 -210.14156 -196.11314 14.02842 3.26256 -195.05236 1201.81330
1470.0000 -210.71316 -197.42398 13.28919 3.15078 -197.26381 1129.06212
1475.0000 -212.30274 -198.61569 13.68705 3.11479 -197.97593 1079.50553
1480.0000 -209.84447 -196.87170 12.97277 3.08785 -198.50885 1063.07295
1485.0000 -208.11122 -194.42918 13.68204 3.20187 -196.25302 1171.22599
1490.0000 -210.29796 -197.57505 12.72291 3.15638 -197.15304 1138.85269
1495.0000 -211.51855 -200.46553 11.05302 3.11147 -198.04152 1111.16799
1500.0000 -212.50207 -200.40920 12.09287 2.97339 -200.77334 1017.78558
FREEZING PROCESS: loop number 7 T-loop= 1042.0000000000000
main_MD> interactions number 7 at Temperature= 1042.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83704 0.06877 2.50028
force_rgl> df(natom) -0.49514 -2.01223 0.69262
1505.0000 -212.39529 -200.56014 11.83515 3.02082 -199.83498 1060.79053
1510.0000 -212.72692 -200.74434 11.98258 3.00265 -200.19454 1012.48756
1515.0000 -213.01520 -201.83322 11.18198 2.98298 -200.58375 1021.55945
1520.0000 -213.66390 -200.87935 12.78455 2.93341 -201.56437 990.59861
1525.0000 -211.88693 -201.13297 10.75396 2.99562 -200.33369 1034.62537
1530.0000 -211.40135 -200.07335 11.32800 3.02494 -199.75352 1066.41921
1535.0000 -213.31675 -201.51474 11.80201 2.90576 -202.11141 971.86734
1540.0000 -209.99886 -199.31341 10.68544 2.97473 -200.74686 1008.42228
1545.0000 -212.59266 -200.80361 11.78905 2.97584 -200.72485 1024.69188
1550.0000 -212.36512 -199.20959 13.15554 2.99976 -200.25161 1043.09521
1555.0000 -212.20511 -201.41952 10.78559 2.99406 -200.36439 1038.36410
1560.0000 -210.71076 -200.30705 10.40371 2.94316 -201.37152 991.72744
1565.0000 -213.65366 -201.46698 12.18668 2.94413 -201.35227 964.31841
1570.0000 -210.46065 -198.14184 12.31881 3.01713 -199.90806 1038.85071
1575.0000 -210.47073 -199.27390 11.19683 3.03356 -199.58293 1039.02613
1580.0000 -213.49366 -201.77549 11.71817 2.95611 -201.11536 1001.55732
1585.0000 -212.14548 -199.56777 12.57771 3.02327 -199.78653 1055.72042
1590.0000 -209.06846 -195.49720 13.57126 3.17150 -196.85400 1142.75518
1595.0000 -211.39835 -199.53905 11.85930 3.11822 -197.90797 1090.66588
1600.0000 -213.56300 -202.14507 11.41792 2.95501 -201.13707 1013.18635
1605.0000 -211.18545 -200.02789 11.15756 2.96857 -200.86876 1012.64132
1610.0000 -212.04899 -200.29170 11.75729 3.00407 -200.16646 1030.82986
1615.0000 -211.13563 -200.93394 10.20169 2.99965 -200.25396 1030.17101
1620.0000 -210.73198 -196.47743 14.25455 3.05591 -199.14076 1043.16459
1625.0000 -211.49466 -196.44729 15.04737 3.13934 -197.49011 1121.88707
1630.0000 -210.36337 -198.28988 12.07349 3.20391 -196.21263 1166.92757
1635.0000 -211.17655 -200.75103 10.42552 3.05629 -199.13336 1029.51756
1640.0000 -212.12065 -200.87552 11.24513 2.98840 -200.47649 1019.63636
1645.0000 -211.13854 -198.35225 12.78629 3.07933 -198.67747 1087.37372
1650.0000 -211.01213 -198.31852 12.69361 3.14424 -197.39321 1156.31571
1655.0000 -210.45564 -197.63846 12.81718 3.16824 -196.91853 1168.44057
1660.0000 -210.74744 -198.27717 12.47027 3.10397 -198.18989 1070.22394
1665.0000 -210.13985 -197.97644 12.16342 3.08675 -198.53076 1052.00825
1670.0000 -212.19390 -199.26772 12.92618 3.14566 -197.36511 1171.73736
1675.0000 -211.95704 -200.77194 11.18510 2.96398 -200.95966 1016.93808
1680.0000 -211.30621 -198.44633 12.85988 3.07120 -198.83836 1073.03527
1685.0000 -210.79739 -200.43364 10.36375 3.02482 -199.75585 1020.02989
1690.0000 -213.64515 -201.89671 11.74845 2.96510 -200.93750 1026.48865
1695.0000 -212.81646 -201.62256 11.19390 2.95343 -201.16837 1005.17010
1700.0000 -214.74332 -202.35520 12.38812 2.92728 -201.68569 979.74980
1705.0000 -213.57209 -201.65079 11.92129 2.95250 -201.18665 1002.61704
1710.0000 -212.87618 -201.75176 11.12442 2.95979 -201.04246 1015.25673
1715.0000 -214.36307 -203.14007 11.22300 2.86818 -202.85502 965.17856
1720.0000 -210.94582 -199.14030 11.80552 2.90222 -202.18151 992.98031
1725.0000 -213.59585 -201.87283 11.72302 2.98057 -200.63131 1033.46080
1730.0000 -210.99653 -198.97405 12.02248 2.98942 -200.45631 1012.07721
1735.0000 -211.10588 -197.97333 13.13255 3.09751 -198.31788 1092.61458
1740.0000 -212.35029 -202.90293 9.44737 3.03983 -199.45896 1065.93286
1745.0000 -214.05193 -202.43748 11.61445 2.91478 -201.93301 954.35241
1750.0000 -212.75733 -201.29616 11.46116 2.89527 -202.31901 976.83620
FREEZING PROCESS: loop number 8 T-loop= 1017.0000000000000
main_MD> interactions number 8 at Temperature= 1017.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43822 3.53459 -2.93272
force_rgl> df(natom) -3.69266 -1.76945 -1.68674
1755.0000 -208.76098 -199.07485 9.68613 3.01312 -199.98735 1057.61201
1760.0000 -212.40370 -199.93752 12.46618 3.05559 -199.14712 1041.28998
1765.0000 -210.52862 -199.86168 10.66693 3.11470 -197.97774 1092.30634
1770.0000 -213.71127 -202.60299 11.10828 2.92974 -201.63693 986.98346
1775.0000 -215.67323 -204.46641 11.20682 2.80558 -204.09341 903.58070
1780.0000 -212.70112 -201.12615 11.57497 2.91108 -202.00608 980.44069
1785.0000 -212.46091 -199.75909 12.70182 2.93176 -201.59699 971.30078
1790.0000 -210.26890 -198.05595 12.21295 3.07418 -198.77940 1052.16351
1795.0000 -211.33114 -197.52743 13.80371 3.09191 -198.42863 1108.48527
1800.0000 -210.26666 -198.34011 11.92655 3.10068 -198.25513 1104.01131
1805.0000 -210.94073 -199.00393 11.93680 3.07606 -198.74216 1056.60824
1810.0000 -210.09310 -199.36611 10.72699 3.03430 -199.56827 1048.60717
1815.0000 -211.84055 -199.84673 11.99382 3.06233 -199.01388 1061.35694
1820.0000 -211.81087 -202.66822 9.14264 2.93739 -201.48561 991.48763
1825.0000 -211.25833 -200.74666 10.51167 2.88983 -202.42662 946.63129
1830.0000 -211.84446 -199.76980 12.07466 3.02778 -199.69741 1041.66590
1835.0000 -211.79568 -198.92777 12.86791 3.05966 -199.06654 1081.20897
1840.0000 -211.80006 -200.89169 10.90837 3.01896 -199.87177 1045.99573
1845.0000 -213.02369 -200.93955 12.08414 2.90344 -202.15739 960.21767
1850.0000 -212.61502 -200.65828 11.95674 2.97449 -200.75172 1016.57074
1855.0000 -211.44410 -199.78219 11.66191 2.98468 -200.54998 1009.60696
1860.0000 -214.32493 -201.20828 13.11666 2.98644 -200.51519 1012.41128
1865.0000 -212.26579 -201.21773 11.04806 2.93263 -201.57987 977.09986
1870.0000 -213.69943 -201.98502 11.71440 2.87519 -202.71623 992.51725
1875.0000 -211.60156 -200.75455 10.84701 2.91076 -202.01243 965.34843
1880.0000 -212.67370 -200.96013 11.71357 2.95765 -201.08486 995.78319
1885.0000 -212.16775 -202.34790 9.81985 2.93099 -201.61233 988.95457
1890.0000 -213.31959 -202.35274 10.96685 2.90304 -202.16527 941.15332
1895.0000 -211.77654 -201.49630 10.28025 2.96861 -200.86804 1016.15951
1900.0000 -213.27598 -199.82514 13.45084 2.96630 -200.91375 1019.94748
1905.0000 -213.69105 -201.93323 11.75781 2.99305 -200.38453 1027.94146
1910.0000 -212.30292 -202.23028 10.07264 2.91920 -201.84556 971.42149
1915.0000 -215.00946 -204.34375 10.66572 2.86653 -202.88755 958.56005
1920.0000 -213.93138 -201.18525 12.74613 2.84372 -203.33886 913.71545
1925.0000 -214.29857 -203.03811 11.26046 2.90026 -202.22021 932.42785
1930.0000 -213.57730 -201.87616 11.70114 2.92934 -201.64493 978.11383
1935.0000 -211.83144 -199.48318 12.34826 3.00746 -200.09934 1037.73207
1940.0000 -211.47503 -199.02141 12.45362 3.04623 -199.33241 1047.43160
1945.0000 -210.99525 -199.89473 11.10052 3.04376 -199.38124 1058.18028
1950.0000 -212.10935 -199.98269 12.12666 3.06803 -198.90097 1080.19973
1955.0000 -211.60895 -200.39648 11.21247 3.00972 -200.05465 1038.13255
1960.0000 -212.07569 -200.77900 11.29669 3.00547 -200.13870 1045.54407
1965.0000 -211.20440 -200.33101 10.87339 2.94816 -201.27262 990.56568
1970.0000 -209.45625 -198.44134 11.01491 3.04488 -199.35908 1017.97617
1975.0000 -212.18083 -201.27242 10.90841 3.05523 -199.15417 1073.01482
1980.0000 -212.47119 -201.09355 11.37764 2.94082 -201.41788 999.95494
1985.0000 -210.98176 -200.79422 10.18754 2.96646 -200.91057 987.91520
1990.0000 -211.61907 -200.26348 11.35560 2.93658 -201.50166 976.58018
1995.0000 -211.37428 -199.99522 11.37906 3.00397 -200.16844 1015.46598
2000.0000 -211.18783 -199.26228 11.92555 2.94499 -201.33530 994.64380
FREEZING PROCESS: loop number 9 T-loop= 992.00000000000000
main_MD> interactions number 9 at Temperature= 992.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98589 -1.77419 0.24571
force_rgl> df(natom) 1.07324 -1.57012 1.33758
2005.0000 -212.34636 -201.09214 11.25422 2.97240 -200.79301 1025.11969
2010.0000 -214.36838 -203.56918 10.79920 2.86118 -202.99344 978.98851
2015.0000 -211.94578 -200.32213 11.62365 2.88737 -202.47527 975.42149
2020.0000 -212.65961 -200.79911 11.86050 3.03541 -199.54648 1078.07898
2025.0000 -212.82015 -202.65733 10.16283 2.94444 -201.34615 992.32750
2030.0000 -213.09879 -201.04806 12.05072 2.93988 -201.43631 968.97206
2035.0000 -211.21267 -200.73245 10.48022 2.91061 -202.01541 954.42507
2040.0000 -212.76590 -200.41474 12.35116 2.97676 -200.70679 969.59947
2045.0000 -211.58863 -200.88645 10.70218 2.99775 -200.29155 995.46663
2050.0000 -212.00036 -201.62788 10.37247 2.94076 -201.41892 964.31223
2055.0000 -212.48824 -200.10004 12.38821 2.98446 -200.55431 1024.72736
2060.0000 -212.55600 -201.84808 10.70792 2.91038 -202.01996 966.68268
2065.0000 -212.27759 -201.28256 10.99503 2.89858 -202.25339 979.49828
2070.0000 -211.86056 -200.53454 11.32602 2.94414 -201.35204 1002.79370
2075.0000 -212.99758 -201.02195 11.97563 2.92471 -201.73647 984.99504
2080.0000 -212.43422 -201.45489 10.97933 2.95315 -201.17379 983.95524
2085.0000 -214.67573 -203.40896 11.26677 2.92766 -201.67821 982.13628
2090.0000 -214.00445 -204.42735 9.57709 2.87023 -202.81440 949.04596
2095.0000 -211.87764 -201.79338 10.08426 2.84961 -203.22233 933.84572
2100.0000 -214.18207 -201.40707 12.77501 2.94324 -201.36988 992.60232
2105.0000 -213.39969 -201.77770 11.62199 2.90974 -202.03264 991.30296
2110.0000 -210.84085 -200.23615 10.60470 2.98559 -200.53200 1030.06407
2115.0000 -212.81435 -200.72447 12.08988 3.00470 -200.15390 1026.38106
2120.0000 -212.17714 -199.85043 12.32671 2.99189 -200.40733 1022.30560
2125.0000 -212.99438 -201.58274 11.41164 2.98215 -200.60003 1011.11310
2130.0000 -214.52678 -203.24080 11.28597 2.89472 -202.32985 971.00904
2135.0000 -213.58244 -202.10427 11.47817 2.85275 -203.16011 944.64077
2140.0000 -214.95190 -204.57262 10.37928 2.87142 -202.79072 950.96564
2145.0000 -211.53522 -199.80398 11.73124 2.84638 -203.28620 912.24624
2150.0000 -209.72910 -199.13690 10.59220 3.04851 -199.28717 1060.09044
2155.0000 -212.45335 -200.49018 11.96316 3.01788 -199.89328 1028.70504
2160.0000 -212.66353 -201.83522 10.82830 2.98638 -200.51642 1015.72404
2165.0000 -211.55144 -202.33172 9.21972 2.95778 -201.08221 1024.73340
2170.0000 -212.96204 -201.49057 11.47147 2.92274 -201.77543 976.14905
2175.0000 -212.49835 -201.60203 10.89632 2.95999 -201.03843 995.17857
2180.0000 -212.70093 -201.02057 11.68036 2.90482 -202.13011 972.34755
2185.0000 -212.70063 -200.64524 12.05539 2.99997 -200.24761 1059.43932
2190.0000 -212.53168 -200.96396 11.56772 2.92587 -201.71350 990.20534
2195.0000 -212.86097 -203.02057 9.84040 2.92163 -201.79744 984.95109
2200.0000 -210.96615 -200.76683 10.19932 2.89879 -202.24937 956.30597
2205.0000 -210.89990 -200.10170 10.79820 3.00069 -200.23331 1060.52496
2210.0000 -213.68195 -199.33211 14.34984 3.03010 -199.65145 1055.35041
2215.0000 -212.14281 -201.61399 10.52882 2.98346 -200.57427 1026.31316
2220.0000 -214.00685 -202.14035 11.86650 2.85091 -203.19660 933.69972
2225.0000 -214.05229 -202.78847 11.26383 2.93274 -201.57762 992.85884
2230.0000 -213.32674 -201.78061 11.54613 2.92114 -201.80713 1013.97302
2235.0000 -214.64332 -203.27180 11.37152 2.89211 -202.38144 959.88975
2240.0000 -214.44687 -204.16690 10.27997 2.84995 -203.21555 941.33106
2245.0000 -213.62093 -202.26727 11.35366 2.85927 -203.03125 968.20812
2250.0000 -212.29726 -200.83612 11.46114 2.93034 -201.62513 992.96688
FREEZING PROCESS: loop number 10 T-loop= 967.00000000000000
main_MD> interactions number 10 at Temperature= 967.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01531 0.22612 3.35607
force_rgl> df(natom) -1.03201 0.94504 0.51984
2255.0000 -212.49571 -199.36242 13.13329 3.02723 -199.70829 1038.78172
2260.0000 -212.69812 -201.14786 11.55026 2.98793 -200.48577 1016.19870
2265.0000 -214.11522 -203.77533 10.33989 2.85597 -203.09642 940.63736
2270.0000 -215.41251 -206.20127 9.21124 2.77625 -204.67376 869.80455
2275.0000 -214.12831 -204.29663 9.83167 2.73146 -205.55989 863.75415
2280.0000 -211.99661 -201.61741 10.37920 2.86256 -202.96620 957.88239
2285.0000 -214.10766 -203.19832 10.90934 2.87722 -202.67604 934.95555
2290.0000 -213.89359 -203.65691 10.23667 2.82906 -203.62884 921.08299
2295.0000 -214.03324 -204.71927 9.31397 2.82624 -203.68459 924.87821
2300.0000 -213.74102 -202.32371 11.41730 2.84472 -203.31907 935.42311
2305.0000 -215.41912 -205.62775 9.79138 2.83906 -203.43098 947.25068
2310.0000 -212.19769 -202.46372 9.73397 2.85485 -203.11856 937.45743
2315.0000 -213.50068 -203.21916 10.28151 2.83994 -203.41371 930.58163
2320.0000 -213.59885 -202.52747 11.07138 2.83303 -203.55028 921.36604
2325.0000 -213.70342 -202.43549 11.26793 2.84220 -203.36887 946.83229
2330.0000 -212.84151 -201.61845 11.22305 2.90768 -202.07340 990.58516
2335.0000 -214.24563 -205.72771 8.51792 2.82751 -203.65947 951.20121
2340.0000 -215.30097 -205.77186 9.52910 2.72958 -205.59704 859.96264
2345.0000 -214.02629 -203.61661 10.40968 2.79360 -204.33038 901.08486
2350.0000 -213.73088 -203.16948 10.56141 2.88606 -202.50116 938.96546
2355.0000 -211.59844 -201.64247 9.95597 2.86113 -202.99441 939.59210
2360.0000 -211.94344 -202.06609 9.87735 2.91706 -201.88792 980.37775
2365.0000 -212.61028 -201.54226 11.06802 2.93924 -201.44910 981.78953
2370.0000 -211.52937 -200.30966 11.21971 2.91246 -201.97892 978.44789
2375.0000 -212.44765 -202.05293 10.39472 2.90639 -202.09887 945.68807
2380.0000 -210.78948 -200.80927 9.98021 2.95531 -201.13117 1001.24909
2385.0000 -211.53792 -201.79554 9.74238 2.92227 -201.78473 943.92557
2390.0000 -212.11344 -200.88479 11.22865 2.97884 -200.66563 1005.22483
2395.0000 -211.87853 -199.79316 12.08536 2.96238 -200.99129 992.73885
2400.0000 -212.09513 -201.61109 10.48405 3.03245 -199.60499 1037.71755
2405.0000 -212.71397 -201.18418 11.52979 2.97707 -200.70070 990.11345
2410.0000 -210.90917 -200.52547 10.38370 3.03047 -199.64403 1035.23589
2415.0000 -213.68794 -202.71841 10.96952 2.92316 -201.76709 970.27996
2420.0000 -212.71596 -201.43183 11.28413 2.92362 -201.75806 999.24305
2425.0000 -212.98006 -201.16380 11.81626 2.93068 -201.61844 996.68264
2430.0000 -214.65013 -203.37542 11.27471 2.84053 -203.40200 934.20045
2435.0000 -213.27213 -202.62863 10.64350 2.87646 -202.69112 970.59363
2440.0000 -215.10185 -202.67951 12.42234 2.85792 -203.05794 947.33878
2445.0000 -211.25397 -201.43644 9.81753 2.88319 -202.55795 954.04550
2450.0000 -213.90582 -204.07151 9.83431 2.85673 -203.08136 923.52076
2455.0000 -212.95100 -202.21111 10.73989 2.83180 -203.57465 903.60511
2460.0000 -212.87948 -199.88217 12.99730 2.88643 -202.49380 952.58039
2465.0000 -210.56694 -200.31975 10.24720 3.00512 -200.14567 1015.61082
2470.0000 -212.06344 -202.12260 9.94085 2.94083 -201.41762 976.83404
2475.0000 -212.34651 -202.11482 10.23169 2.90773 -202.07243 949.35200
2480.0000 -213.57847 -203.99795 9.58052 2.85324 -203.15057 938.18446
2485.0000 -214.69226 -204.16351 10.52875 2.75462 -205.10173 890.51575
2490.0000 -213.35406 -203.11635 10.23772 2.88182 -202.58516 964.91321
2495.0000 -212.96783 -202.87724 10.09059 2.86438 -202.93019 952.52550
2500.0000 -214.28204 -204.90097 9.38107 2.80108 -204.18241 923.73710
FREEZING PROCESS: loop number 11 T-loop= 942.00000000000000
main_MD> interactions number 11 at Temperature= 942.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15468 -1.14664 0.56249
force_rgl> df(natom) 1.24060 -2.78347 -0.71921
2505.0000 -214.52217 -202.82131 11.70086 2.80577 -204.08957 912.01581
2510.0000 -212.22916 -202.89527 9.33389 2.88688 -202.48503 948.68093
2515.0000 -209.81506 -199.30895 10.50611 2.93914 -201.45111 984.62223
2520.0000 -212.86569 -200.67471 12.19098 2.98441 -200.55548 1027.57866
2525.0000 -213.33577 -202.22262 11.11315 2.84016 -203.40922 927.00449
2530.0000 -213.63067 -203.22976 10.40091 2.85723 -203.07158 936.95682
2535.0000 -213.39553 -200.75373 12.64180 2.87863 -202.64825 962.13889
2540.0000 -213.77131 -204.00033 9.77098 2.94930 -201.25006 962.24600
2545.0000 -216.08938 -204.85590 11.23348 2.76847 -204.82767 874.10756
2550.0000 -214.52462 -203.14886 11.37576 2.83789 -203.45422 918.00268
2555.0000 -214.49580 -203.43913 11.05666 2.81302 -203.94619 897.05135
2560.0000 -213.10894 -203.04702 10.06192 2.81167 -203.97284 914.23974
2565.0000 -213.71282 -202.88235 10.83047 2.88044 -202.61229 971.30077
2570.0000 -214.55380 -203.48360 11.07020 2.80968 -204.01239 905.43431
2575.0000 -213.93166 -204.26059 9.67107 2.82883 -203.63341 914.27567
2580.0000 -214.84115 -204.71857 10.12258 2.78000 -204.59951 913.20165
2585.0000 -213.25381 -203.67222 9.58160 2.81145 -203.97729 928.32091
2590.0000 -215.39684 -204.18744 11.20939 2.84212 -203.37044 930.05020
2595.0000 -215.46308 -204.67174 10.79135 2.73603 -205.46941 869.04054
2600.0000 -213.86368 -203.93006 9.93362 2.77132 -204.77119 900.64261
2605.0000 -214.75922 -204.79773 9.96149 2.81773 -203.85310 909.76510
2610.0000 -214.79548 -204.49302 10.30246 2.78258 -204.54855 906.62803
2615.0000 -214.19315 -203.41602 10.77713 2.83901 -203.43211 927.26944
2620.0000 -213.02448 -202.87968 10.14480 2.88108 -202.59973 947.62709
2625.0000 -213.86262 -201.55457 12.30805 2.86434 -202.93087 953.97826
2630.0000 -213.51031 -201.93382 11.57649 2.93888 -201.45612 993.41113
2635.0000 -213.35852 -203.38148 9.97705 2.86592 -202.89960 953.38397
2640.0000 -215.07617 -205.25430 9.82187 2.82248 -203.75915 933.35807
2645.0000 -213.74797 -203.79281 9.95516 2.73626 -205.46483 862.64239
2650.0000 -213.73150 -203.37631 10.35519 2.81911 -203.82572 926.58500
2655.0000 -214.73880 -202.91394 11.82485 2.83412 -203.52872 944.97438
2660.0000 -214.06890 -204.53980 9.52910 2.84961 -203.22234 937.22666
2665.0000 -214.26535 -204.09041 10.17494 2.78972 -204.40729 890.17599
2670.0000 -215.63681 -204.39377 11.24304 2.81514 -203.90422 941.04577
2675.0000 -213.05161 -202.28259 10.76902 2.82705 -203.66862 908.23187
2680.0000 -212.58577 -202.62747 9.95830 2.91442 -201.94006 971.15132
2685.0000 -214.11859 -203.15680 10.96179 2.88959 -202.43128 955.05475
2690.0000 -213.37197 -202.48442 10.88756 2.88473 -202.52741 970.61584
2695.0000 -214.62134 -205.89083 8.73051 2.80856 -204.03454 910.10243
2700.0000 -217.41356 -206.47283 10.94072 2.70754 -206.03309 869.06056
2705.0000 -214.94625 -204.99724 9.94902 2.71791 -205.82796 866.61841
2710.0000 -213.83815 -202.97766 10.86049 2.84416 -203.33015 916.81695
2715.0000 -213.53399 -204.05727 9.47672 2.84050 -203.40262 926.86886
2720.0000 -211.84942 -201.71860 10.13082 2.85407 -203.13401 941.54394
2725.0000 -212.05122 -202.42865 9.62257 2.89060 -202.41138 948.95699
2730.0000 -214.47650 -202.14659 12.32991 2.90561 -202.11440 960.86711
2735.0000 -212.92176 -203.82194 9.09982 2.85602 -203.09548 934.32264
2740.0000 -211.97654 -199.96591 12.01062 2.93763 -201.48087 982.96727
2745.0000 -213.44680 -202.86713 10.57967 2.91103 -202.00723 947.38732
2750.0000 -214.34299 -204.31561 10.02737 2.84879 -203.23850 933.27898
FREEZING PROCESS: loop number 12 T-loop= 917.00000000000000
main_MD> interactions number 12 at Temperature= 917.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81172 1.03548 -0.57327
force_rgl> df(natom) -1.38500 -2.36643 1.52392
2755.0000 -216.11609 -206.25549 9.86061 2.74890 -205.21473 875.72543
2760.0000 -214.54726 -203.53204 11.01522 2.79589 -204.28519 924.51888
2765.0000 -214.20737 -204.88910 9.31827 2.86403 -202.93706 938.47934
2770.0000 -214.66904 -204.52269 10.14635 2.76403 -204.91546 859.14663
2775.0000 -215.02195 -204.67031 10.35164 2.78443 -204.51187 892.88806
2780.0000 -212.37856 -202.21390 10.16465 2.86721 -202.87409 939.41613
2785.0000 -213.73958 -203.74658 9.99300 2.87911 -202.63860 922.59610
2790.0000 -215.64039 -204.37489 11.26551 2.79349 -204.33253 891.92388
2795.0000 -212.65085 -203.13212 9.51872 2.87270 -202.76545 935.38778
2800.0000 -214.99038 -203.87328 11.11710 2.86235 -202.97021 950.71870
2805.0000 -213.27422 -204.69567 8.57854 2.79214 -204.35937 903.51729
2810.0000 -213.83105 -201.31177 12.51928 2.85391 -203.13722 921.06060
2815.0000 -214.58959 -202.80218 11.78740 2.85588 -203.09826 940.30701
2820.0000 -213.71603 -202.15174 11.56429 2.87385 -202.74273 945.85427
2825.0000 -214.04774 -202.47247 11.57527 2.92172 -201.79576 1002.59256
2830.0000 -214.86057 -204.31978 10.54079 2.79639 -204.27523 902.40054
2835.0000 -214.42545 -202.87869 11.54676 2.86961 -202.82668 950.99754
2840.0000 -212.59189 -202.79274 9.79915 2.85882 -203.04012 965.63377
2845.0000 -212.34942 -201.70211 10.64731 2.91222 -201.98369 968.78733
2850.0000 -214.22974 -203.07441 11.15533 2.92392 -201.75219 963.57436
2855.0000 -213.97667 -204.69593 9.28075 2.83355 -203.54009 920.55878
2860.0000 -214.66256 -205.42069 9.24187 2.74892 -205.21432 877.70367
2865.0000 -216.40613 -205.36799 11.03814 2.79589 -204.28511 881.00234
2870.0000 -213.51937 -204.32441 9.19496 2.74778 -205.23688 840.60583
2875.0000 -213.60606 -204.32570 9.28036 2.80936 -204.01862 891.21652
2880.0000 -213.26867 -203.55571 9.71296 2.82646 -203.68024 906.24916
2885.0000 -213.89019 -204.03727 9.85292 2.77696 -204.65958 890.41595
2890.0000 -215.16516 -206.35572 8.80943 2.79676 -204.26786 915.50871
2895.0000 -213.13379 -202.48000 10.65379 2.78909 -204.41970 885.79249
2900.0000 -212.28586 -201.65911 10.62675 2.94930 -201.25009 994.12887
2905.0000 -214.13121 -203.15976 10.97145 2.91236 -201.98081 972.87803
2910.0000 -214.52190 -203.40922 11.11269 2.81686 -203.87022 930.67773
2915.0000 -214.89203 -205.05174 9.84029 2.78234 -204.55327 894.74948
2920.0000 -213.08841 -202.27915 10.80925 2.86904 -202.83790 951.90221
2925.0000 -214.71086 -203.50151 11.20935 2.88466 -202.52880 976.15349
2930.0000 -213.52786 -204.94596 8.58190 2.79710 -204.26117 909.94907
2935.0000 -214.55402 -205.57257 8.98145 2.80205 -204.16318 911.78925
2940.0000 -213.31748 -202.96353 10.35395 2.75120 -205.16935 872.03799
2945.0000 -215.32009 -204.26199 11.05810 2.79126 -204.37672 890.79002
2950.0000 -215.61202 -204.80791 10.80410 2.77060 -204.78551 892.70214
2955.0000 -214.69186 -204.34597 10.34589 2.79229 -204.35635 883.49189
2960.0000 -214.52081 -204.13611 10.38470 2.75156 -205.16223 866.48397
2965.0000 -215.55314 -205.16961 10.38353 2.74388 -205.31419 869.83395
2970.0000 -215.59179 -206.58949 9.00231 2.76108 -204.97380 887.13575
2975.0000 -214.63365 -204.55835 10.07530 2.74066 -205.37781 893.15646
2980.0000 -215.02798 -205.21354 9.81444 2.75964 -205.00239 897.08130
2985.0000 -215.93826 -206.93756 9.00069 2.72555 -205.67668 872.41090
2990.0000 -215.11791 -205.98841 9.12950 2.71182 -205.94846 837.06498
2995.0000 -214.99719 -204.67220 10.32499 2.78455 -204.50942 872.50674
3000.0000 -214.05681 -202.98850 11.06831 2.86502 -202.91751 950.72983
FREEZING PROCESS: loop number 13 T-loop= 892.00000000000000
main_MD> interactions number 13 at Temperature= 892.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47514 0.72915 -0.30579
force_rgl> df(natom) 3.21200 1.40982 -2.44062
3005.0000 -214.97873 -203.93997 11.03875 2.82105 -203.78745 915.87640
3010.0000 -214.54018 -203.54517 10.99501 2.85020 -203.21058 936.86905
3015.0000 -214.48394 -203.24413 11.23982 2.80893 -204.02709 908.18138
3020.0000 -213.83627 -201.80920 12.02707 2.85376 -203.14027 953.72128
3025.0000 -214.88522 -204.38248 10.50274 2.85744 -203.06740 957.54353
3030.0000 -214.53304 -203.78879 10.74425 2.81045 -203.99717 909.36353
3035.0000 -213.77501 -202.36704 11.40797 2.88728 -202.47705 978.87425
3040.0000 -212.22259 -201.78567 10.43693 2.90331 -202.15983 978.46484
3045.0000 -211.19665 -201.73795 9.45870 2.91480 -201.93265 989.56596
3050.0000 -215.81521 -205.22564 10.58958 2.88257 -202.57031 957.46089
3055.0000 -214.86549 -204.18709 10.67839 2.79554 -204.29211 900.69630
3060.0000 -213.69912 -204.17195 9.52718 2.80838 -204.03801 857.60971
3065.0000 -214.66608 -204.42189 10.24419 2.79285 -204.34531 897.02337
3070.0000 -213.15994 -203.74421 9.41574 2.77936 -204.61215 886.13766
3075.0000 -214.86464 -203.65681 11.20783 2.80909 -204.02391 923.39507
3080.0000 -214.76512 -203.59277 11.17235 2.82078 -203.79275 921.72479
3085.0000 -214.55030 -204.42246 10.12784 2.84341 -203.34489 910.35092
3090.0000 -214.71914 -204.41211 10.30703 2.75227 -205.14812 847.84887
3095.0000 -214.56597 -203.88468 10.68129 2.76126 -204.97033 878.89563
3100.0000 -213.47403 -203.10169 10.37234 2.85987 -203.01937 941.45352
3105.0000 -214.08173 -204.68604 9.39569 2.79909 -204.22179 911.14234
3110.0000 -214.37182 -204.08866 10.28317 2.75047 -205.18369 865.13249
3115.0000 -214.78733 -205.14259 9.64474 2.77639 -204.67098 882.04362
3120.0000 -214.63692 -205.84993 8.78699 2.71980 -205.79058 841.25976
3125.0000 -214.22982 -204.16521 10.06461 2.80108 -204.18246 900.63122
3130.0000 -214.77652 -206.04088 8.73564 2.71852 -205.81582 870.99704
3135.0000 -217.59769 -207.46880 10.12889 2.67009 -206.77395 824.64931
3140.0000 -215.54503 -205.48699 10.05804 2.68477 -206.48352 842.63987
3145.0000 -214.27603 -203.94228 10.33375 2.82893 -203.63151 932.27086
3150.0000 -211.95616 -201.55873 10.39743 2.83077 -203.59513 899.40003
3155.0000 -215.61788 -203.29768 12.32020 2.83516 -203.50817 928.60596
3160.0000 -214.18950 -202.32206 11.86745 2.83494 -203.51264 918.27130
3165.0000 -212.12474 -201.43700 10.68774 2.91851 -201.85917 991.21743
3170.0000 -212.62051 -203.33370 9.28681 2.91692 -201.89066 988.04579
3175.0000 -213.30309 -204.13450 9.16858 2.83594 -203.49268 936.88890
3180.0000 -215.44834 -205.51899 9.92935 2.75723 -205.05001 868.35757
3185.0000 -215.27029 -205.11775 10.15254 2.74838 -205.22507 864.52509
3190.0000 -215.30657 -204.80655 10.50002 2.80074 -204.18922 894.54471
3195.0000 -213.73845 -205.62360 8.11485 2.73775 -205.43545 865.05027
3200.0000 -215.00173 -204.61164 10.39008 2.76837 -204.82968 865.99920
3205.0000 -214.92437 -204.52670 10.39767 2.81584 -203.89045 911.41691
3210.0000 -215.72911 -204.99741 10.73170 2.75541 -205.08600 859.57557
3215.0000 -215.87259 -205.39631 10.47628 2.77386 -204.72108 894.50265
3220.0000 -215.25726 -204.99370 10.26356 2.78738 -204.45345 892.04745
3225.0000 -216.20268 -205.60192 10.60076 2.74506 -205.29074 866.91697
3230.0000 -215.20562 -205.75655 9.44907 2.71951 -205.79622 843.16392
3235.0000 -214.52426 -205.17989 9.34437 2.78245 -204.55109 881.73969
3240.0000 -214.16673 -204.42803 9.73871 2.77890 -204.62122 905.87272
3245.0000 -213.81490 -204.99589 8.81901 2.78388 -204.52282 881.56484
3250.0000 -214.60088 -204.46897 10.13191 2.77838 -204.63159 867.32363
FREEZING PROCESS: loop number 14 T-loop= 867.00000000000000
main_MD> interactions number 14 at Temperature= 867.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73019 2.49021 1.37559
force_rgl> df(natom) -3.70405 -3.28287 -8.71840
3255.0000 -216.82293 -205.25353 11.56940 2.78478 -204.50504 880.86450
3260.0000 -215.83033 -206.46083 9.36950 2.70102 -206.16209 844.97078
3265.0000 -212.52437 -204.27756 8.24680 2.72443 -205.69897 857.79865
3270.0000 -214.19528 -203.62702 10.56827 2.84691 -203.27567 946.61515
3275.0000 -214.00114 -203.50454 10.49660 2.82586 -203.69225 933.67703
3280.0000 -214.12884 -203.91563 10.21321 2.86632 -202.89179 935.54801
3285.0000 -213.81329 -203.14111 10.67218 2.81228 -203.96090 926.08671
3290.0000 -214.59452 -204.09380 10.50072 2.83263 -203.55832 938.43157
3295.0000 -214.06765 -202.99357 11.07408 2.80169 -204.17036 916.95551
3300.0000 -215.95554 -205.65596 10.29957 2.75197 -205.15401 880.57929
3305.0000 -216.00418 -205.05248 10.95169 2.75928 -205.00946 872.89835
3310.0000 -215.55154 -204.72967 10.82188 2.76536 -204.88907 880.64419
3315.0000 -214.58504 -204.65976 9.92527 2.76197 -204.95630 882.05301
3320.0000 -215.60434 -205.40505 10.19929 2.76453 -204.90554 881.70027
3325.0000 -215.89198 -206.15671 9.73527 2.73150 -205.55903 869.76716
3330.0000 -214.67825 -204.58967 10.08858 2.72500 -205.68770 871.52089
3335.0000 -215.87668 -205.66652 10.21016 2.73028 -205.58311 862.06521
3340.0000 -214.96378 -205.48867 9.47511 2.76415 -204.91310 890.41677
3345.0000 -215.90250 -206.57811 9.32439 2.73805 -205.42947 849.97522
3350.0000 -216.90766 -207.44493 9.46273 2.68003 -206.57744 862.84425
3355.0000 -214.17524 -204.89992 9.27532 2.71495 -205.88654 865.84757
3360.0000 -213.91957 -204.84636 9.07321 2.78266 -204.54685 903.14442
3365.0000 -213.53461 -205.30501 8.22961 2.77444 -204.70960 877.05596
3370.0000 -213.75993 -204.22985 9.53009 2.73857 -205.41908 857.92081
3375.0000 -214.13302 -205.04467 9.08835 2.75462 -205.10166 858.02430
3380.0000 -214.97417 -204.41258 10.56159 2.79812 -204.24102 891.60771
3385.0000 -215.64623 -207.09098 8.55525 2.70374 -206.10828 841.23666
3390.0000 -216.25570 -206.72290 9.53280 2.70539 -206.07570 853.57512
3395.0000 -215.64118 -205.90525 9.73593 2.64426 -207.28509 789.32073
3400.0000 -213.53730 -202.82291 10.71440 2.77216 -204.75456 892.80387
3405.0000 -214.64752 -205.45870 9.18883 2.80725 -204.06041 906.02483
3410.0000 -215.41775 -205.02448 10.39326 2.75916 -205.01172 861.72717
3415.0000 -215.30469 -206.02582 9.27887 2.72306 -205.72595 853.20331
3420.0000 -215.16470 -207.13675 8.02795 2.69512 -206.27881 827.26386
3425.0000 -214.27383 -205.69498 8.57885 2.73475 -205.49466 860.37303
3430.0000 -217.05970 -204.27311 12.78659 2.74264 -205.33857 883.91183
3435.0000 -215.86473 -205.74578 10.11895 2.75813 -205.03226 908.26244
3440.0000 -216.11129 -206.82954 9.28176 2.75363 -205.12125 896.84170
3445.0000 -214.83708 -205.94980 8.88728 2.67454 -206.68602 841.96235
3450.0000 -217.68452 -210.13196 7.55256 2.62512 -207.66365 795.97641
3455.0000 -217.62978 -207.03584 10.59395 2.56943 -208.76550 765.59065
3460.0000 -215.86686 -206.56098 9.30587 2.70059 -206.17063 857.54235
3465.0000 -215.55129 -206.11016 9.44114 2.70611 -206.06134 837.05698
3470.0000 -215.49457 -205.06611 10.42846 2.74114 -205.36836 872.15675
3475.0000 -215.59290 -204.83227 10.76063 2.77381 -204.72194 875.63436
3480.0000 -216.60251 -206.77141 9.83110 2.70396 -206.10396 828.07546
3485.0000 -216.09652 -206.67825 9.41827 2.71302 -205.92462 851.23264
3490.0000 -216.41803 -206.99726 9.42077 2.67726 -206.63224 836.21442
3495.0000 -216.93497 -206.97142 9.96355 2.70798 -206.02428 846.58922
3500.0000 -213.70811 -203.64686 10.06125 2.75184 -205.15666 898.36870
FREEZING PROCESS: loop number 15 T-loop= 842.00000000000000
main_MD> interactions number 15 at Temperature= 842.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.40736 -0.93580 0.94586
force_rgl> df(natom) -0.13722 0.73844 0.05731
3505.0000 -214.85809 -204.33592 10.52217 2.76370 -204.92206 881.97979
3510.0000 -215.15198 -205.94107 9.21091 2.77424 -204.71349 892.24847
3515.0000 -215.68836 -205.86689 9.82147 2.69805 -206.22089 849.47173
3520.0000 -216.24732 -206.54120 9.70612 2.68957 -206.38867 822.45247
3525.0000 -214.60563 -204.35281 10.25281 2.72949 -205.59875 873.94364
3530.0000 -215.48682 -206.74241 8.74441 2.68586 -206.46205 843.29816
3535.0000 -217.28354 -206.29896 10.98458 2.68053 -206.56751 822.00571
3540.0000 -215.25186 -205.34331 9.90854 2.71941 -205.79815 848.87716
3545.0000 -216.47177 -205.59354 10.87823 2.72312 -205.72487 850.58881
3550.0000 -216.45279 -206.60356 9.84923 2.69941 -206.19400 830.09056
3555.0000 -214.90850 -205.92215 8.98635 2.69817 -206.21846 837.39185
3560.0000 -215.12918 -206.71164 8.41754 2.70525 -206.07838 844.88192
3565.0000 -216.31490 -206.89483 9.42007 2.63764 -207.41607 808.70210
3570.0000 -215.38455 -205.60639 9.77816 2.70357 -206.11169 845.09944
3575.0000 -214.53663 -205.75336 8.78327 2.69384 -206.30405 834.50237
3580.0000 -214.33278 -205.10821 9.22457 2.74108 -205.36945 869.09539
3585.0000 -214.75125 -207.64305 7.10820 2.72713 -205.64541 869.56897
3590.0000 -216.52740 -206.70231 9.82509 2.66154 -206.94311 810.13205
3595.0000 -214.72780 -206.45050 8.27730 2.68493 -206.48033 832.05842
3600.0000 -215.60347 -207.36465 8.23882 2.69360 -206.30896 822.32996
3605.0000 -215.85674 -208.43687 7.41987 2.65287 -207.11463 800.54570
3610.0000 -216.82724 -209.10567 7.72157 2.56118 -208.92868 757.03261
3615.0000 -217.09944 -208.43601 8.66344 2.57938 -208.56859 789.43555
3620.0000 -216.38761 -207.74835 8.63926 2.62701 -207.62632 809.29643
3625.0000 -218.26152 -208.83951 9.42202 2.57713 -208.61322 788.93902
3630.0000 -215.90856 -207.43917 8.46939 2.63507 -207.46691 803.42486
3635.0000 -215.90231 -207.07253 8.82978 2.62469 -207.67225 801.22943
3640.0000 -214.98180 -205.07902 9.90278 2.70424 -206.09830 842.49078
3645.0000 -214.98247 -205.92017 9.06230 2.72022 -205.78225 862.37840
3650.0000 -215.32536 -205.93326 9.39210 2.72760 -205.63620 866.13844
3655.0000 -215.87394 -206.45103 9.42291 2.63847 -207.39956 829.79526
3660.0000 -215.57897 -205.46043 10.11854 2.72378 -205.71171 850.40383
3665.0000 -214.76527 -205.44174 9.32353 2.74449 -205.30209 863.98672
3670.0000 -215.86540 -205.34079 10.52461 2.73403 -205.50891 865.56629
3675.0000 -215.43354 -205.50931 9.92422 2.74986 -205.19581 883.62317
3680.0000 -216.29799 -206.18560 10.11239 2.67643 -206.64851 822.13292
3685.0000 -215.49935 -205.81549 9.68386 2.70650 -206.05362 857.03445
3690.0000 -215.21171 -204.65515 10.55657 2.77391 -204.72009 913.72465
3695.0000 -213.47745 -203.86908 9.60837 2.82509 -203.70742 923.27087
3700.0000 -215.70586 -206.09877 9.60709 2.73927 -205.40531 845.65582
3705.0000 -215.11186 -205.17911 9.93274 2.71119 -205.96083 826.76385
3710.0000 -216.30074 -206.91992 9.38082 2.71995 -205.78748 843.43971
3715.0000 -217.77123 -208.21997 9.55126 2.62466 -207.67284 805.83240
3720.0000 -216.93557 -208.47290 8.46267 2.63176 -207.53242 789.69618
3725.0000 -215.42446 -206.40239 9.02207 2.62861 -207.59468 801.93255
3730.0000 -216.97712 -206.43012 10.54700 2.71236 -205.93765 858.25373
3735.0000 -215.90993 -207.30401 8.60592 2.68216 -206.53521 846.02148
3740.0000 -217.09104 -208.00805 9.08298 2.66159 -206.94211 837.58689
3745.0000 -214.59320 -205.89276 8.70044 2.66152 -206.94360 824.57397
3750.0000 -217.61100 -207.24488 10.36612 2.69087 -206.36296 827.37953
FREEZING PROCESS: loop number 16 T-loop= 817.00000000000000
main_MD> interactions number 16 at Temperature= 817.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.80596 2.03423 -1.00960
force_rgl> df(natom) -2.80649 3.56026 -4.08578
3755.0000 -216.05857 -207.45002 8.60855 2.64567 -207.25710 814.51172
3760.0000 -216.61159 -208.10242 8.50917 2.66634 -206.84829 827.25162
3765.0000 -218.03489 -207.89076 10.14414 2.62064 -207.75234 782.27901
3770.0000 -218.37995 -209.23670 9.14325 2.54920 -209.16572 738.24354
3775.0000 -217.23581 -208.29959 8.93622 2.60037 -208.15346 800.48342
3780.0000 -217.13513 -208.01989 9.11524 2.66787 -206.81784 819.68867
3785.0000 -215.25942 -205.88590 9.37352 2.67123 -206.75142 825.94861
3790.0000 -215.70063 -206.62249 9.07814 2.68906 -206.39871 826.29038
3795.0000 -216.10373 -206.77151 9.33222 2.69542 -206.27284 817.49522
3800.0000 -215.79991 -206.54093 9.25898 2.62970 -207.57311 816.98703
3805.0000 -217.12308 -207.79721 9.32587 2.64274 -207.31501 815.02818
3810.0000 -217.21098 -208.22007 8.99090 2.55834 -208.98485 758.01606
3815.0000 -215.19820 -206.31683 8.88137 2.60590 -208.04394 764.18640
3820.0000 -216.28752 -206.79410 9.49342 2.69413 -206.29841 829.57922
3825.0000 -217.32726 -207.10445 10.22281 2.67697 -206.63787 843.30351
3830.0000 -215.53339 -204.57619 10.95720 2.69187 -206.34303 851.44728
3835.0000 -214.66363 -206.26179 8.40184 2.72769 -205.63436 852.05688
3840.0000 -215.78026 -206.96114 8.81911 2.70133 -206.15587 855.68608
3845.0000 -216.88055 -207.81673 9.06382 2.67174 -206.74130 810.82149
3850.0000 -216.82527 -207.19055 9.63472 2.63941 -207.38098 798.51299
3855.0000 -215.83139 -206.40401 9.42738 2.75011 -205.19093 884.42166
3860.0000 -216.09093 -207.60933 8.48160 2.62850 -207.59689 789.41380
3865.0000 -216.79165 -206.81864 9.97301 2.65790 -207.01513 799.66937
3870.0000 -214.40953 -204.61813 9.79140 2.70915 -206.00124 866.25363
3875.0000 -215.39784 -205.66789 9.72994 2.74888 -205.21521 883.69376
3880.0000 -214.72280 -205.15524 9.56755 2.75545 -205.08515 863.51062
3885.0000 -216.62231 -206.29999 10.32232 2.73159 -205.55730 853.83592
3890.0000 -217.08142 -207.50492 9.57650 2.67165 -206.74317 847.67969
3895.0000 -215.16157 -205.24918 9.91239 2.61774 -207.80970 782.88904
3900.0000 -213.94049 -203.47066 10.46983 2.78650 -204.47090 884.53227
3905.0000 -215.66824 -204.36237 11.30587 2.80764 -204.05273 898.65715
3910.0000 -214.70478 -204.33029 10.37449 2.75732 -205.04831 871.22558
3915.0000 -216.43621 -207.51992 8.91629 2.72134 -205.76001 866.04375
3920.0000 -217.93528 -206.31763 11.61765 2.68378 -206.50317 860.34674
3925.0000 -216.33444 -206.85616 9.47828 2.65873 -206.99885 818.37288
3930.0000 -215.45189 -206.06134 9.39056 2.68986 -206.38279 847.15375
3935.0000 -216.72157 -206.39245 10.32912 2.67470 -206.68286 828.66458
3940.0000 -216.25686 -207.63275 8.62411 2.65938 -206.98597 843.25665
3945.0000 -217.59275 -209.27004 8.32271 2.62219 -207.72176 796.23452
3950.0000 -218.03015 -208.75080 9.27935 2.51217 -209.89839 736.00116
3955.0000 -216.86934 -209.40087 7.46847 2.55899 -208.97212 769.75210
3960.0000 -218.18791 -208.90597 9.28194 2.52926 -209.56028 726.19362
3965.0000 -218.69012 -209.51093 9.17919 2.57278 -208.69920 795.92344
3970.0000 -217.04095 -208.06785 8.97309 2.57153 -208.72402 777.14307
3975.0000 -216.37999 -208.10299 8.27700 2.59893 -208.18186 794.99940
3980.0000 -216.34313 -206.67273 9.67041 2.62299 -207.70586 795.89887
3985.0000 -216.37770 -207.18129 9.19642 2.68754 -206.42872 825.07941
3990.0000 -215.84546 -207.04646 8.79900 2.70974 -205.98958 860.80727
3995.0000 -214.20223 -206.44286 7.75938 2.65434 -207.08555 795.29343
4000.0000 -215.20836 -206.13851 9.06985 2.69680 -206.24557 826.54439
FREEZING PROCESS: loop number 17 T-loop= 792.00000000000000
main_MD> interactions number 17 at Temperature= 792.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.86167 0.18753 -0.20019
force_rgl> df(natom) -1.96554 5.98396 0.83441
4005.0000 -217.58420 -209.77003 7.81417 2.59461 -208.26734 770.60198
4010.0000 -218.24944 -210.44723 7.80221 2.48376 -210.46047 687.19333
4015.0000 -217.73250 -210.25403 7.47847 2.49885 -210.16195 716.90710
4020.0000 -217.31891 -209.15550 8.16341 2.53778 -209.39174 732.12558
4025.0000 -217.54839 -208.33002 9.21837 2.60548 -208.05234 788.97099
4030.0000 -217.73528 -209.18118 8.55410 2.55981 -208.95577 781.93671
4035.0000 -218.15969 -209.79593 8.36376 2.50806 -209.97962 741.91187
4040.0000 -218.02963 -209.36500 8.66463 2.53525 -209.44166 755.38592
4045.0000 -217.15458 -207.25222 9.90235 2.61126 -207.93782 790.33326
4050.0000 -216.34069 -207.45865 8.88205 2.63509 -207.46649 820.18236
4055.0000 -215.78328 -206.17158 9.61170 2.69630 -206.25545 863.02985
4060.0000 -218.86224 -209.22762 9.63462 2.63612 -207.44616 833.84869
4065.0000 -217.14757 -206.92654 10.22103 2.59356 -208.28803 785.52232
4070.0000 -216.36803 -206.85976 9.50827 2.61603 -207.84346 811.35762
4075.0000 -215.30268 -206.33421 8.96847 2.66631 -206.84882 821.93535
4080.0000 -218.01918 -208.69158 9.32760 2.59999 -208.16082 777.08480
4085.0000 -216.55596 -208.69843 7.85753 2.61566 -207.85081 771.97721
4090.0000 -216.54863 -208.19931 8.34932 2.61179 -207.92740 792.08460
4095.0000 -217.66171 -207.88756 9.77415 2.60845 -207.99353 785.66310
4100.0000 -218.53899 -210.42513 8.11386 2.54966 -209.15667 759.92318
4105.0000 -216.89543 -208.01678 8.87865 2.58044 -208.54757 752.17330
4110.0000 -217.09101 -207.92034 9.17068 2.59819 -208.19660 792.49828
4115.0000 -216.03125 -206.09780 9.93346 2.64069 -207.35574 816.24452
4120.0000 -218.05754 -208.80329 9.25425 2.58542 -208.44909 791.41439
4125.0000 -216.73096 -207.85273 8.87823 2.58897 -208.37882 774.69399
4130.0000 -214.71018 -205.81849 8.89169 2.66368 -206.90081 784.74772
4135.0000 -216.51515 -206.44221 10.07293 2.70550 -206.07336 835.21978
4140.0000 -215.71065 -206.42075 9.28990 2.63334 -207.50102 822.47820
4145.0000 -216.80077 -208.27338 8.52739 2.62972 -207.57263 805.97178
4150.0000 -217.62471 -207.13481 10.48990 2.61806 -207.80339 825.37451
4155.0000 -217.27805 -207.43734 9.84071 2.66183 -206.93739 793.22600
4160.0000 -218.70494 -211.42283 7.28211 2.59832 -208.19388 780.30841
4165.0000 -217.24176 -208.74719 8.49457 2.49758 -210.18707 735.37171
4170.0000 -216.07042 -208.26432 7.80610 2.52597 -209.62535 745.09426
4175.0000 -216.39681 -207.90577 8.49105 2.60390 -208.08347 781.03065
4180.0000 -218.18259 -207.79772 10.38487 2.62128 -207.73971 801.52753
4185.0000 -215.99086 -206.22675 9.76410 2.64976 -207.17624 814.26536
4190.0000 -214.14439 -204.32856 9.81584 2.76977 -204.80186 888.13700
4195.0000 -216.76234 -208.11016 8.65217 2.67153 -206.74558 826.57277
4200.0000 -217.42596 -207.34062 10.08534 2.61925 -207.77992 806.24136
4205.0000 -217.43165 -208.60772 8.82393 2.59763 -208.20765 783.43186
4210.0000 -216.69978 -207.90728 8.79250 2.59383 -208.28276 765.69011
4215.0000 -216.96012 -208.19136 8.76876 2.61157 -207.93187 799.62521
4220.0000 -215.67136 -207.53091 8.14044 2.59350 -208.28919 772.33417
4225.0000 -217.46981 -208.35916 9.11064 2.66260 -206.92213 822.07385
4230.0000 -216.80114 -208.78627 8.01487 2.55977 -208.95662 775.66457
4235.0000 -216.45538 -207.56502 8.89036 2.63061 -207.55512 805.42100
4240.0000 -215.92253 -207.96224 7.96029 2.60529 -208.05598 785.25850
4245.0000 -217.11061 -208.13167 8.97894 2.61064 -207.95027 811.47027
4250.0000 -216.13660 -207.13474 9.00186 2.63222 -207.52323 802.17674
FREEZING PROCESS: loop number 18 T-loop= 767.00000000000000
main_MD> interactions number 18 at Temperature= 767.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.37515 1.42869 0.69967
force_rgl> df(natom) 3.62159 -0.04147 -4.85111
4255.0000 -217.17164 -209.95511 7.21652 2.58218 -208.51331 752.05420
4260.0000 -218.09293 -210.34777 7.74516 2.51636 -209.81550 721.06257
4265.0000 -218.90837 -210.83179 8.07658 2.47943 -210.54616 700.35747
4270.0000 -217.97753 -209.46806 8.50947 2.50959 -209.94940 739.62107
4275.0000 -217.00296 -208.07075 8.93221 2.62611 -207.64416 802.08322
4280.0000 -217.79343 -208.36193 9.43150 2.58311 -208.49494 787.71291
4285.0000 -216.86150 -207.48569 9.37582 2.61037 -207.95554 793.86829
4290.0000 -216.80615 -206.67106 10.13508 2.64326 -207.30481 822.31089
4295.0000 -217.05449 -208.30329 8.75120 2.63258 -207.51612 812.60610
4300.0000 -217.65169 -208.83953 8.81216 2.57822 -208.59169 767.40325
4305.0000 -218.58592 -209.96219 8.62373 2.53873 -209.37279 755.24516
4310.0000 -218.66972 -210.42507 8.24465 2.50166 -210.10624 731.43710
4315.0000 -218.03252 -208.59568 9.43684 2.55054 -209.13916 756.83053
4320.0000 -217.25444 -208.93894 8.31549 2.57407 -208.67363 752.81229
4325.0000 -217.12407 -208.43555 8.68852 2.56767 -208.80030 735.87738
4330.0000 -217.51487 -208.67526 8.83961 2.58256 -208.50577 740.15672
4335.0000 -217.68856 -209.12997 8.55859 2.57613 -208.63287 757.45316
4340.0000 -218.31303 -210.59545 7.71758 2.48499 -210.43609 729.63995
4345.0000 -217.69970 -208.64877 9.05092 2.54485 -209.25174 757.64846
4350.0000 -217.41509 -207.64579 9.76930 2.63602 -207.44813 795.75674
4355.0000 -218.86518 -209.31936 9.54583 2.57510 -208.65336 792.89228
4360.0000 -218.78371 -210.21976 8.56395 2.52037 -209.73610 748.89575
4365.0000 -218.46293 -210.17632 8.28661 2.52682 -209.60857 732.00788
4370.0000 -217.90960 -209.36230 8.54731 2.51113 -209.91900 727.96670
4375.0000 -217.34098 -209.40849 7.93250 2.50073 -210.12468 750.19221
4380.0000 -218.36557 -208.95769 9.40788 2.55362 -209.07823 755.89809
4385.0000 -216.58917 -207.05792 9.53125 2.59488 -208.26193 781.81476
4390.0000 -217.46780 -209.18337 8.28443 2.61097 -207.94363 800.92604
4395.0000 -216.82535 -208.79306 8.03228 2.54699 -209.20948 760.60606
4400.0000 -217.87339 -209.97975 7.89365 2.53165 -209.51301 739.93101
4405.0000 -218.01098 -209.20130 8.80969 2.52026 -209.73826 734.62758
4410.0000 -218.05269 -209.49798 8.55471 2.51194 -209.90288 749.17441
4415.0000 -216.46989 -208.23533 8.23456 2.53426 -209.46133 738.22174
4420.0000 -218.27880 -210.26986 8.00895 2.54530 -209.24297 773.28438
4425.0000 -217.57625 -208.25823 9.31802 2.57531 -208.64920 778.24480
4430.0000 -217.35002 -207.72732 9.62270 2.59563 -208.24708 788.51800
4435.0000 -217.68955 -208.87238 8.81717 2.65824 -207.00839 836.36021
4440.0000 -216.32935 -207.35220 8.97715 2.60330 -208.09540 785.62701
4445.0000 -218.58877 -209.76010 8.82867 2.58538 -208.44987 778.64104
4450.0000 -215.99011 -206.71800 9.27211 2.60260 -208.10928 793.15453
4455.0000 -217.52835 -208.36765 9.16070 2.67455 -206.68585 809.20847
4460.0000 -217.94480 -209.67070 8.27410 2.55207 -209.10901 770.28859
4465.0000 -215.29608 -208.20643 7.08965 2.55513 -209.04844 762.69710
4470.0000 -218.56903 -210.16792 8.40111 2.55671 -209.01706 730.55594
4475.0000 -217.07739 -208.89283 8.18456 2.51412 -209.85984 711.78471
4480.0000 -218.79888 -209.59024 9.20863 2.54818 -209.18587 766.34433
4485.0000 -216.69950 -208.24274 8.45675 2.59481 -208.26333 767.33918
4490.0000 -218.60944 -209.99347 8.61597 2.52144 -209.71491 725.98765
4495.0000 -216.98822 -208.14392 8.84430 2.55405 -209.06982 738.33676
4500.0000 -217.99812 -208.40965 9.58847 2.60521 -208.05770 803.94801
FREEZING PROCESS: loop number 19 T-loop= 742.00000000000000
main_MD> interactions number 19 at Temperature= 742.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39595 6.83797 0.65463
force_rgl> df(natom) 0.63109 1.62661 1.04428
4505.0000 -216.66550 -207.53298 9.13252 2.62148 -207.73575 798.57097
4510.0000 -217.22885 -207.64056 9.58829 2.60266 -208.10803 788.33403
4515.0000 -218.06970 -210.30226 7.76745 2.57003 -208.75359 761.13035
4520.0000 -218.27759 -210.76606 7.51153 2.48692 -210.39797 713.06521
4525.0000 -218.46534 -209.82009 8.64525 2.49991 -210.14097 714.21270
4530.0000 -219.95459 -210.91218 9.04241 2.48274 -210.48052 718.08992
4535.0000 -219.84077 -211.44045 8.40032 2.45503 -211.02885 712.34596
4540.0000 -217.27886 -209.52106 7.75780 2.50603 -210.01990 732.94421
4545.0000 -218.06022 -210.12542 7.93480 2.52592 -209.62632 727.38311
4550.0000 -218.54719 -209.77627 8.77092 2.50312 -210.07733 729.53407
4555.0000 -215.86073 -206.68197 9.17876 2.62152 -207.73498 803.24704
4560.0000 -217.76063 -209.23868 8.52195 2.63873 -207.39451 817.28812
4565.0000 -218.40702 -209.43615 8.97087 2.51583 -209.82591 745.43704
4570.0000 -218.87140 -211.01020 7.86120 2.47114 -210.71009 730.97136
4575.0000 -218.26540 -211.42752 6.83788 2.42178 -211.68670 669.69020
4580.0000 -217.07735 -209.51007 7.56728 2.52305 -209.68311 724.25375
4585.0000 -219.30661 -210.83071 8.47590 2.49482 -210.24155 716.55478
4590.0000 -218.92354 -210.98508 7.93846 2.43498 -211.42545 668.64757
4595.0000 -218.89222 -209.94550 8.94673 2.50533 -210.03368 718.74385
4600.0000 -218.38597 -210.54135 7.84462 2.50636 -210.01331 703.53517
4605.0000 -217.11098 -208.56257 8.54841 2.51165 -209.90854 722.91157
4610.0000 -217.42470 -208.60135 8.82334 2.56237 -208.90515 746.22555
4615.0000 -218.41211 -209.15880 9.25331 2.56253 -208.90202 771.72948
4620.0000 -217.98370 -208.79538 9.18832 2.56384 -208.87616 776.48355
4625.0000 -218.19360 -210.00706 8.18654 2.52298 -209.68447 736.21794
4630.0000 -217.59180 -209.17780 8.41399 2.54082 -209.33161 734.60669
4635.0000 -217.54764 -210.03053 7.51711 2.51434 -209.85548 708.07519
4640.0000 -217.84274 -208.94179 8.90095 2.56718 -208.81000 766.11564
4645.0000 -216.62301 -208.41538 8.20763 2.57494 -208.65651 769.34887
4650.0000 -217.89730 -209.53286 8.36444 2.57775 -208.60093 772.16767
4655.0000 -217.46316 -209.18712 8.27604 2.51671 -209.80845 736.96058
4660.0000 -217.61667 -208.72132 8.89535 2.57272 -208.70050 740.74802
4665.0000 -216.69440 -208.76838 7.92602 2.56411 -208.87080 750.52630
4670.0000 -218.96761 -210.82756 8.14005 2.48710 -210.39442 690.83983
4675.0000 -218.16758 -209.49325 8.67433 2.53226 -209.50080 732.85965
4680.0000 -217.93525 -209.06369 8.87156 2.51271 -209.88775 737.21625
4685.0000 -217.96127 -208.63872 9.32256 2.52633 -209.61823 750.81028
4690.0000 -216.91085 -207.62969 9.28115 2.57833 -208.58950 775.52849
4695.0000 -218.22099 -210.30850 7.91249 2.58940 -208.37043 776.38822
4700.0000 -218.46914 -209.21113 9.25801 2.50538 -210.03259 734.11227
4705.0000 -217.76798 -209.52704 8.24094 2.49210 -210.29539 715.59508
4710.0000 -216.60196 -208.57057 8.03139 2.55488 -209.05343 759.76953
4715.0000 -219.02153 -210.18515 8.83638 2.54378 -209.27298 745.67085
4720.0000 -217.20238 -208.64016 8.56221 2.51857 -209.77176 712.51441
4725.0000 -217.90858 -208.74463 9.16395 2.59433 -208.27284 771.66800
4730.0000 -218.04787 -210.42954 7.61833 2.51115 -209.91858 742.40296
4735.0000 -219.06964 -210.34499 8.72466 2.51907 -209.76176 726.11739
4740.0000 -218.22127 -210.60362 7.61764 2.47479 -210.63783 688.19153
4745.0000 -220.51465 -211.74215 8.77250 2.45725 -210.98486 687.23414
4750.0000 -218.91480 -210.19279 8.72202 2.46251 -210.88090 714.28693
FREEZING PROCESS: loop number 20 T-loop= 717.00000000000000
main_MD> interactions number 20 at Temperature= 717.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.67564 3.52538 -1.89941
force_rgl> df(natom) 1.70430 1.27682 -2.13830
4755.0000 -215.94241 -207.86281 8.07960 2.56044 -208.94342 780.75144
4760.0000 -217.52602 -208.81557 8.71046 2.56047 -208.94282 772.04954
4765.0000 -217.25455 -208.23826 9.01629 2.57646 -208.62651 778.48240
4770.0000 -216.78477 -209.48456 7.30020 2.53966 -209.35445 750.77668
4775.0000 -217.87136 -209.68756 8.18380 2.53689 -209.40927 741.07046
4780.0000 -216.52067 -207.93881 8.58186 2.53949 -209.35787 739.72826
4785.0000 -219.42851 -211.24907 8.17943 2.54949 -209.15995 733.77356
4790.0000 -218.48250 -210.52910 7.95340 2.42580 -211.60703 654.24441
4795.0000 -218.93663 -209.87721 9.05941 2.50375 -210.06503 706.19829
4800.0000 -217.72343 -210.47794 7.24549 2.51427 -209.85687 714.07102
4805.0000 -218.41282 -209.86636 8.54646 2.46242 -210.88271 678.11818
4810.0000 -216.59199 -208.15316 8.43883 2.59869 -208.18670 773.29467
4815.0000 -217.28531 -209.48133 7.80398 2.54659 -209.21739 736.89293
4820.0000 -217.81463 -210.14942 7.66520 2.52778 -209.58942 743.25644
4825.0000 -218.18878 -209.43901 8.74976 2.53131 -209.51977 727.80478
4830.0000 -217.32488 -209.21410 8.11078 2.55365 -209.07765 773.60763
4835.0000 -217.06745 -207.92626 9.14119 2.56537 -208.84577 751.03289
4840.0000 -218.12677 -208.29475 9.83202 2.59725 -208.21504 792.58003
4845.0000 -218.64029 -209.87525 8.76504 2.52398 -209.66464 749.74384
4850.0000 -219.12892 -211.42850 7.70042 2.45785 -210.97304 693.78170
4855.0000 -218.55559 -210.57776 7.97783 2.47324 -210.66859 724.92265
4860.0000 -218.40653 -210.47497 7.93156 2.46353 -210.86074 712.33101
4865.0000 -217.74906 -208.49355 9.25551 2.54918 -209.16608 732.63080
4870.0000 -218.44945 -209.80326 8.64619 2.53249 -209.49632 747.55108
4875.0000 -219.14396 -211.43013 7.71383 2.46648 -210.80235 714.08866
4880.0000 -218.79085 -211.25530 7.53556 2.44374 -211.25219 672.63013
4885.0000 -217.98008 -210.52858 7.45150 2.46844 -210.76343 695.82892
4890.0000 -218.96027 -211.84409 7.11618 2.43907 -211.34451 698.43880
4895.0000 -218.71050 -211.26093 7.44957 2.40670 -211.98499 678.57484
4900.0000 -218.66696 -209.63515 9.03180 2.47865 -210.56153 716.67222
4905.0000 -218.26756 -209.44431 8.82325 2.54769 -209.19560 751.66873
4910.0000 -218.83392 -210.12899 8.70492 2.48508 -210.43438 712.26717
4915.0000 -217.89139 -208.32481 9.56658 2.53902 -209.36709 739.45489
4920.0000 -216.40594 -208.72719 7.67876 2.56988 -208.75659 761.50060
4925.0000 -218.61149 -210.78178 7.82971 2.50777 -209.98534 718.08366
4930.0000 -217.11944 -209.65323 7.46621 2.51899 -209.76342 727.03291
4935.0000 -217.28788 -209.34454 7.94333 2.55272 -209.09615 749.92416
4940.0000 -219.05150 -210.74868 8.30283 2.48711 -210.39416 710.86836
4945.0000 -217.46407 -209.70724 7.75683 2.51179 -209.90595 717.43238
4950.0000 -220.11737 -212.52801 7.58936 2.43761 -211.37352 660.79404
4955.0000 -217.31625 -210.04363 7.27262 2.46282 -210.87472 696.63800
4960.0000 -218.99614 -210.36821 8.62794 2.47557 -210.62247 715.11845
4965.0000 -218.90853 -210.59056 8.31798 2.49688 -210.20080 746.78976
4970.0000 -216.81704 -208.60848 8.20856 2.52003 -209.74289 708.22513
4975.0000 -219.19563 -210.65628 8.53935 2.49264 -210.28470 717.19367
4980.0000 -218.17603 -209.88249 8.29354 2.51090 -209.92346 713.83420
4985.0000 -217.66318 -209.96578 7.69741 2.55004 -209.14913 762.70124
4990.0000 -216.81949 -209.16130 7.65819 2.49040 -210.32911 712.86439
4995.0000 -216.95732 -208.45044 8.50688 2.54986 -209.15270 763.17441
5000.0000 -217.53650 -208.85976 8.67674 2.56762 -208.80122 763.30898
FREEZING PROCESS: loop number 21 T-loop= 692.00000000000000
main_MD> interactions number 21 at Temperature= 692.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48379 -0.04072 -1.11306
force_rgl> df(natom) 3.49575 0.72711 2.11980
5005.0000 -220.06653 -212.18939 7.87714 2.46488 -210.83403 696.39733
5010.0000 -217.40259 -209.91001 7.49258 2.46095 -210.91178 687.22815
5015.0000 -218.44431 -210.78123 7.66308 2.45680 -210.99375 714.39094
5020.0000 -217.84272 -210.05554 7.78718 2.50454 -210.04935 727.38142
5025.0000 -219.42845 -210.66136 8.76709 2.49785 -210.18170 695.85359
5030.0000 -217.31233 -208.67433 8.63800 2.50846 -209.97174 724.62269
5035.0000 -218.69520 -211.96574 6.72946 2.51765 -209.78988 739.95133
5040.0000 -216.99620 -209.12720 7.86900 2.48233 -210.48865 694.21312
5045.0000 -218.75969 -210.30285 8.45684 2.50929 -209.95533 739.28771
5050.0000 -218.72075 -210.32800 8.39275 2.46192 -210.89255 711.73902
5055.0000 -218.68701 -209.81731 8.86970 2.49273 -210.28295 722.83835
5060.0000 -218.63444 -210.83079 7.80365 2.50075 -210.12436 731.52049
5065.0000 -219.77694 -210.38356 9.39339 2.48506 -210.43465 724.19359
5070.0000 -217.84431 -209.53735 8.30695 2.43987 -211.32871 694.09304
5075.0000 -218.55213 -209.82217 8.72996 2.54267 -209.29492 750.84413
5080.0000 -218.16231 -210.52289 7.63942 2.49588 -210.22058 714.24545
5085.0000 -219.71929 -210.78078 8.93851 2.48096 -210.51587 697.73034
5090.0000 -218.24726 -210.81528 7.43198 2.50843 -209.97234 722.06539
5095.0000 -219.08956 -210.90623 8.18333 2.46081 -210.91441 695.60374
5100.0000 -219.67830 -211.11702 8.56128 2.45862 -210.95783 687.31116
5105.0000 -216.64939 -209.09794 7.55145 2.48833 -210.37003 713.60415
5110.0000 -218.57774 -209.21592 9.36182 2.53312 -209.48381 710.62935
5115.0000 -218.17594 -208.72194 9.45400 2.55995 -208.95308 755.99914
5120.0000 -216.36202 -208.80821 7.55380 2.61587 -207.84665 780.29179
5125.0000 -217.85460 -209.51946 8.33513 2.53925 -209.36249 742.03012
5130.0000 -218.76688 -211.20002 7.56687 2.45123 -211.10399 690.37083
5135.0000 -217.96769 -210.39330 7.57439 2.48034 -210.52813 709.28278
5140.0000 -220.66038 -213.57037 7.09002 2.42036 -211.71471 684.24337
5145.0000 -218.29943 -210.19002 8.10941 2.41533 -211.81428 663.93097
5150.0000 -220.25389 -211.57850 8.67539 2.46322 -210.86675 731.89750
5155.0000 -220.66498 -212.60098 8.06400 2.45155 -211.09771 700.08067
5160.0000 -219.98479 -213.02538 6.95940 2.38376 -212.43887 639.49976
5165.0000 -219.74018 -212.24142 7.49876 2.41192 -211.88182 670.26936
5170.0000 -219.46356 -211.45747 8.00610 2.39546 -212.20741 655.65984
5175.0000 -219.86464 -211.82707 8.03756 2.42110 -211.70018 673.26633
5180.0000 -219.02979 -210.43489 8.59490 2.44245 -211.27768 682.39968
5185.0000 -219.49191 -212.29337 7.19855 2.42005 -211.72088 662.65119
5190.0000 -220.07292 -212.43000 7.64292 2.40848 -211.94975 628.93676
5195.0000 -219.21753 -211.51883 7.69870 2.40964 -211.92682 657.51876
5200.0000 -219.20434 -210.59693 8.60741 2.47147 -210.70362 702.22208
5205.0000 -217.66933 -210.17290 7.49643 2.49807 -210.17725 733.79806
5210.0000 -218.10419 -210.86743 7.23676 2.46122 -210.90630 686.03309
5215.0000 -218.00649 -209.50598 8.50050 2.50642 -210.01216 703.87639
5220.0000 -219.37261 -211.10809 8.26452 2.49481 -210.24188 706.66666
5225.0000 -218.43914 -210.61619 7.82295 2.46383 -210.85473 683.82026
5230.0000 -218.25930 -210.74900 7.51030 2.45283 -211.07234 674.23040
5235.0000 -218.70453 -210.13270 8.57183 2.47069 -210.71895 690.59494
5240.0000 -218.33476 -210.06223 8.27253 2.47842 -210.56616 720.66334
5245.0000 -219.27467 -211.53124 7.74343 2.48409 -210.45385 712.71641
5250.0000 -219.47902 -212.71521 6.76381 2.39950 -212.12745 653.16478
FREEZING PROCESS: loop number 22 T-loop= 667.00000000000000
main_MD> interactions number 22 at Temperature= 667.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.13808 0.74685 -1.25462
force_rgl> df(natom) 1.90956 1.41740 2.09986
5255.0000 -219.22945 -211.98086 7.24858 2.39675 -212.18195 659.91723
5260.0000 -218.91637 -212.12044 6.79594 2.41379 -211.84483 690.31752
5265.0000 -220.54984 -212.66593 7.88391 2.38114 -212.49076 659.38100
5270.0000 -219.12468 -211.64729 7.47739 2.41982 -211.72552 661.70780
5275.0000 -220.51127 -211.79743 8.71384 2.43278 -211.46909 673.92843
5280.0000 -218.86139 -211.37240 7.48900 2.40660 -211.98694 680.22136
5285.0000 -219.43049 -211.22272 8.20777 2.43445 -211.43594 688.39200
5290.0000 -218.97254 -211.70707 7.26547 2.44703 -211.18701 685.60131
5295.0000 -219.34661 -213.12030 6.22631 2.39888 -212.13977 651.19505
5300.0000 -220.85042 -213.88557 6.96485 2.30524 -213.99225 587.18729
5305.0000 -219.91243 -213.33252 6.57991 2.34173 -213.27040 645.68121
5310.0000 -220.74886 -213.83509 6.91377 2.32060 -213.68843 613.72263
5315.0000 -221.00226 -214.18594 6.81632 2.32243 -213.65217 613.99528
5320.0000 -220.07576 -211.37758 8.69818 2.35042 -213.09853 626.93528
5325.0000 -218.81304 -212.06891 6.74414 2.41712 -211.77892 671.74396
5330.0000 -219.55268 -212.48972 7.06296 2.40431 -212.03229 664.08920
5335.0000 -219.32420 -212.14781 7.17640 2.39060 -212.30360 661.34857
5340.0000 -221.20491 -214.89561 6.30930 2.33677 -213.36855 615.01092
5345.0000 -219.82381 -211.98682 7.83699 2.33921 -213.32030 632.37179
5350.0000 -218.26542 -210.77518 7.49024 2.43116 -211.50098 701.27887
5355.0000 -219.39827 -212.37250 7.02577 2.39944 -212.12854 663.11070
5360.0000 -219.51596 -212.49772 7.01824 2.36929 -212.72517 640.77549
5365.0000 -219.50820 -212.38343 7.12477 2.38061 -212.50109 635.14932
5370.0000 -219.23208 -212.10598 7.12610 2.38187 -212.47634 648.50492
5375.0000 -220.82862 -212.59789 8.23073 2.36768 -212.75692 640.80607
5380.0000 -220.32379 -212.14887 8.17492 2.34829 -213.14057 636.01915
5385.0000 -220.38224 -214.19908 6.18316 2.36739 -212.76277 655.72183
5390.0000 -219.67309 -213.44931 6.22377 2.34293 -213.24664 637.13544
5395.0000 -218.92470 -211.90729 7.01741 2.34854 -213.13575 621.13006
5400.0000 -219.08550 -212.42699 6.65851 2.41415 -211.83755 655.32229
5405.0000 -221.25805 -213.60621 7.65184 2.35365 -213.03463 641.07831
5410.0000 -218.63465 -211.46802 7.16663 2.39432 -212.22992 662.07409
5415.0000 -221.23582 -212.78403 8.45179 2.40747 -211.96978 670.42352
5420.0000 -220.25526 -213.00775 7.24752 2.37762 -212.56032 632.77771
5425.0000 -218.75586 -211.62865 7.12721 2.35838 -212.94100 647.86614
5430.0000 -220.91659 -213.32196 7.59463 2.41513 -211.81816 659.37588
5435.0000 -220.06971 -212.67606 7.39365 2.35772 -212.95411 658.41536
5440.0000 -220.32849 -213.19305 7.13544 2.35295 -213.04839 631.59813
5445.0000 -220.31269 -212.88472 7.42798 2.34377 -213.23009 640.16034
5450.0000 -218.95754 -211.86813 7.08941 2.43740 -211.37753 712.97521
5455.0000 -219.85167 -212.18718 7.66448 2.40727 -211.97366 682.44572
5460.0000 -219.82843 -211.38871 8.43972 2.42595 -211.60418 683.29399
5465.0000 -219.08924 -211.28974 7.79950 2.43719 -211.38172 692.01439
5470.0000 -218.02542 -211.10011 6.92531 2.45071 -211.11420 703.68115
5475.0000 -218.58625 -209.65210 8.93415 2.51404 -209.86140 733.21772
5480.0000 -218.48557 -210.48998 7.99559 2.48925 -210.35177 726.28347
5485.0000 -219.38049 -210.60712 8.77337 2.50068 -210.12566 722.68974
5490.0000 -218.59619 -211.03692 7.55927 2.49925 -210.15394 736.61981
5495.0000 -219.60172 -211.70276 7.89896 2.40804 -211.95851 663.40198
5500.0000 -219.34008 -211.59876 7.74132 2.43364 -211.45198 706.21563
FREEZING PROCESS: loop number 23 T-loop= 642.00000000000000
main_MD> interactions number 23 at Temperature= 642.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62112 1.44614 -1.02092
force_rgl> df(natom) 1.95030 -0.51285 -2.81416
5505.0000 -219.04460 -211.35379 7.69081 2.42927 -211.53844 686.84799
5510.0000 -220.85682 -214.40718 6.44964 2.33859 -213.33244 640.09659
5515.0000 -221.19662 -214.44753 6.74910 2.28955 -214.30268 597.71272
5520.0000 -220.35622 -213.71598 6.64024 2.29066 -214.28075 576.16460
5525.0000 -220.39358 -211.36072 9.03286 2.39266 -212.26277 642.78081
5530.0000 -218.13528 -210.46075 7.67453 2.43968 -211.33249 696.30495
5535.0000 -219.59835 -211.97280 7.62555 2.43844 -211.35705 690.54414
5540.0000 -221.40850 -213.60674 7.80176 2.35934 -212.92196 644.70136
5545.0000 -220.73721 -213.86452 6.87269 2.32421 -213.61706 633.84044
5550.0000 -221.77998 -214.99684 6.78314 2.29065 -214.28091 599.07362
5555.0000 -220.49010 -213.69754 6.79257 2.30135 -214.06934 611.43434
5560.0000 -220.27047 -212.86526 7.40521 2.35495 -213.00880 635.68333
5565.0000 -220.97041 -213.54221 7.42819 2.34516 -213.20260 619.26394
5570.0000 -219.73592 -212.79200 6.94392 2.32543 -213.59280 601.56108
5575.0000 -219.89616 -212.95379 6.94237 2.37537 -212.60480 661.13112
5580.0000 -219.03355 -211.89661 7.13694 2.40449 -212.02865 655.29758
5585.0000 -220.06361 -213.32916 6.73446 2.38503 -212.41369 650.67185
5590.0000 -219.46676 -212.47780 6.98896 2.36985 -212.71400 627.60294
5595.0000 -219.36261 -212.59136 6.77125 2.39878 -212.14179 630.61518
5600.0000 -220.30176 -212.79961 7.50215 2.35937 -212.92148 620.11273
5605.0000 -219.66353 -212.51997 7.14356 2.38720 -212.37077 627.17195
5610.0000 -219.02196 -210.95438 8.06758 2.42532 -211.61663 654.63973
5615.0000 -218.63091 -211.05417 7.57674 2.44444 -211.23833 674.20403
5620.0000 -219.28482 -211.47575 7.80907 2.43757 -211.37436 704.37960
5625.0000 -221.32372 -214.11979 7.20393 2.37661 -212.58036 650.92035
5630.0000 -219.03033 -212.31688 6.71346 2.36372 -212.83524 649.31096
5635.0000 -219.39613 -212.26221 7.13392 2.39625 -212.19183 643.74662
5640.0000 -219.96214 -212.98765 6.97450 2.39634 -212.19006 666.60044
5645.0000 -218.78611 -211.49726 7.28885 2.37844 -212.54412 631.61048
5650.0000 -220.17020 -213.78574 6.38446 2.37078 -212.69558 626.21246
5655.0000 -220.62909 -215.01642 5.61268 2.28080 -214.47580 592.34818
5660.0000 -221.83165 -215.80537 6.02628 2.23900 -215.30292 567.03536
5665.0000 -220.87263 -214.67134 6.20129 2.28108 -214.47023 581.53794
5670.0000 -219.99517 -213.37631 6.61886 2.28105 -214.47091 608.24296
5675.0000 -221.62805 -213.86862 7.75943 2.31857 -213.72865 640.35654
5680.0000 -221.20511 -213.08653 8.11858 2.33635 -213.37680 644.97416
5685.0000 -219.85004 -212.93319 6.91685 2.35295 -213.04840 638.36651
5690.0000 -219.57189 -211.91321 7.65868 2.40720 -211.97518 657.82922
5695.0000 -219.96425 -212.64949 7.31476 2.39259 -212.26422 669.05586
5700.0000 -219.46543 -212.87647 6.58896 2.35837 -212.94113 618.58738
5705.0000 -220.66612 -212.19637 8.46975 2.37488 -212.61445 649.28437
5710.0000 -220.32053 -213.49280 6.82773 2.37124 -212.68659 645.58753
5715.0000 -220.43329 -212.42662 8.00667 2.36423 -212.82533 648.40604
5720.0000 -219.21244 -211.46591 7.74653 2.36302 -212.84925 654.23295
5725.0000 -219.73322 -211.88449 7.84873 2.38261 -212.46159 649.82876
5730.0000 -219.28004 -210.62334 8.65671 2.43231 -211.47833 691.05659
5735.0000 -220.34630 -212.15646 8.18984 2.44576 -211.21230 692.89201
5740.0000 -221.42873 -213.99759 7.43114 2.34016 -213.30147 621.69312
5745.0000 -219.76817 -213.09171 6.67646 2.40818 -211.95579 653.27873
5750.0000 -220.40276 -213.38586 7.01690 2.32868 -213.52853 615.45703
FREEZING PROCESS: loop number 24 T-loop= 617.00000000000000
main_MD> interactions number 24 at Temperature= 617.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.34685 -0.43577 4.83603
force_rgl> df(natom) -2.26056 0.83392 -0.59106
5755.0000 -220.86806 -213.56254 7.30552 2.35004 -213.10604 634.15096
5760.0000 -221.63613 -214.04445 7.59168 2.32860 -213.53024 613.27548
5765.0000 -221.43311 -213.67924 7.75387 2.28946 -214.30454 612.61311
5770.0000 -220.95902 -213.65483 7.30419 2.34133 -213.27836 631.62391
5775.0000 -220.51685 -212.47989 8.03696 2.36220 -212.86547 637.27575
5780.0000 -220.65003 -213.35436 7.29567 2.35563 -212.99540 630.90725
5785.0000 -219.65665 -212.28073 7.37592 2.39270 -212.26198 682.76848
5790.0000 -220.64990 -213.47664 7.17327 2.35368 -213.03389 630.45587
5795.0000 -220.97392 -213.80628 7.16763 2.28526 -214.38756 597.81882
5800.0000 -220.75602 -213.71105 7.04497 2.33323 -213.43850 627.03061
5805.0000 -220.17011 -212.70223 7.46788 2.33449 -213.41363 625.65803
5810.0000 -220.23452 -212.67492 7.55960 2.36896 -212.73170 634.94251
5815.0000 -220.33850 -213.38908 6.94942 2.33105 -213.48177 611.53925
5820.0000 -220.26362 -213.17322 7.09040 2.33389 -213.42553 613.83153
5825.0000 -220.06240 -212.82299 7.23941 2.35269 -213.05360 637.85267
5830.0000 -220.50716 -213.66619 6.84096 2.31769 -213.74591 598.84021
5835.0000 -221.28426 -215.23044 6.05383 2.25875 -214.91213 567.95555
5840.0000 -220.71356 -214.98535 5.72821 2.27263 -214.63753 588.07025
5845.0000 -220.69528 -214.01727 6.67801 2.30230 -214.05056 598.88436
5850.0000 -221.78921 -214.80745 6.98177 2.29389 -214.21684 605.97546
5855.0000 -221.64125 -214.46879 7.17247 2.25170 -215.05162 569.84154
5860.0000 -222.44228 -214.90539 7.53689 2.29549 -214.18522 621.76182
5865.0000 -221.11832 -214.26254 6.85579 2.24774 -215.12997 574.45375
5870.0000 -220.48829 -212.87644 7.61185 2.32198 -213.66106 592.45533
5875.0000 -220.46808 -213.16463 7.30345 2.33757 -213.35270 615.87020
5880.0000 -220.05836 -212.60766 7.45070 2.37452 -212.62165 639.39244
5885.0000 -219.92575 -213.28213 6.64362 2.35033 -213.10031 651.86561
5890.0000 -220.17566 -213.18992 6.98575 2.33206 -213.46174 619.04284
5895.0000 -220.93194 -214.18971 6.74224 2.29979 -214.10006 604.84564
5900.0000 -221.52462 -215.04500 6.47962 2.27989 -214.49380 583.84664
5905.0000 -221.61457 -214.92952 6.68506 2.26314 -214.82527 576.39635
5910.0000 -219.97131 -213.43474 6.53657 2.28758 -214.34167 607.83776
5915.0000 -221.72460 -214.31673 7.40788 2.30770 -213.94366 596.47018
5920.0000 -221.61435 -214.73577 6.87857 2.23221 -215.43720 568.67238
5925.0000 -221.34515 -215.41140 5.93375 2.27637 -214.56341 621.95629
5930.0000 -221.72767 -215.57200 6.15567 2.21004 -215.87579 566.89258
5935.0000 -221.15642 -214.99187 6.16455 2.22611 -215.55781 594.74095
5940.0000 -223.67013 -216.58624 7.08388 2.24437 -215.19657 609.09031
5945.0000 -221.87956 -215.40391 6.47565 2.17064 -216.65525 537.08045
5950.0000 -220.99096 -214.58846 6.40250 2.24133 -215.25666 612.20293
5955.0000 -222.15369 -214.47425 7.67944 2.32707 -213.56045 673.54127
5960.0000 -220.84166 -212.39533 8.44633 2.35904 -212.92803 658.62304
5965.0000 -220.38254 -213.22488 7.15766 2.34282 -213.24879 652.67320
5970.0000 -220.40346 -212.74848 7.65498 2.34992 -213.10840 608.64837
5975.0000 -219.12438 -212.84837 6.27601 2.38338 -212.44642 625.22561
5980.0000 -219.82371 -212.50093 7.32278 2.38670 -212.38071 646.14861
5985.0000 -219.98898 -213.32443 6.66455 2.33109 -213.48086 591.46208
5990.0000 -219.37365 -212.58250 6.79115 2.33118 -213.47910 603.84780
5995.0000 -220.66928 -213.94250 6.72677 2.35172 -213.07271 622.46596
6000.0000 -220.61341 -213.24937 7.36403 2.33493 -213.40500 609.33684
FREEZING PROCESS: loop number 25 T-loop= 592.00000000000000
main_MD> interactions number 25 at Temperature= 592.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20503 -0.61888 -0.08001
force_rgl> df(natom) -0.08068 1.53657 1.79611
6005.0000 -220.25183 -213.45538 6.79646 2.34973 -213.11216 623.96832
6010.0000 -220.26515 -212.84591 7.41924 2.33981 -213.30837 636.99792
6015.0000 -221.09192 -213.75211 7.33981 2.34381 -213.22916 634.03751
6020.0000 -221.42044 -215.18860 6.23184 2.27801 -214.53106 592.17935
6025.0000 -222.26407 -215.50933 6.75473 2.22123 -215.65438 565.80723
6030.0000 -222.79908 -215.58161 7.21747 2.21589 -215.76002 570.68857
6035.0000 -223.07411 -216.26211 6.81200 2.20802 -215.91576 578.70781
6040.0000 -223.12245 -217.04524 6.07721 2.18423 -216.38637 550.62281
6045.0000 -222.84768 -216.74096 6.10672 2.16378 -216.79098 551.64645
6050.0000 -222.66666 -214.87753 7.78914 2.22519 -215.57612 606.55353
6055.0000 -221.69756 -214.31179 7.38577 2.26331 -214.82198 612.27177
6060.0000 -221.57739 -213.35139 8.22600 2.31352 -213.82860 667.05226
6065.0000 -221.63592 -214.61440 7.02152 2.30698 -213.95794 653.64967
6070.0000 -220.40888 -213.45305 6.95583 2.27856 -214.52015 605.08430
6075.0000 -221.63974 -214.92930 6.71044 2.32908 -213.52071 627.93931
6080.0000 -221.68573 -215.37755 6.30818 2.22774 -215.52569 542.42961
6085.0000 -221.41914 -214.99104 6.42810 2.22048 -215.66925 566.99307
6090.0000 -222.41676 -215.61990 6.79686 2.25118 -215.06183 596.29646
6095.0000 -221.99045 -215.84724 6.14320 2.24422 -215.19947 562.47857
6100.0000 -220.69279 -214.27680 6.41599 2.27090 -214.67179 578.11066
6105.0000 -219.58335 -213.18068 6.40267 2.32256 -213.64968 622.54719
6110.0000 -220.97422 -213.11152 7.86270 2.35094 -213.08817 625.63905
6115.0000 -220.85959 -213.39625 7.46334 2.31812 -213.73745 616.93193
6120.0000 -221.43798 -214.96959 6.46839 2.31983 -213.70376 607.44990
6125.0000 -221.01788 -213.63893 7.37895 2.32710 -213.55989 608.92181
6130.0000 -221.07919 -213.98064 7.09856 2.30459 -214.00523 594.22756
6135.0000 -221.48587 -214.81943 6.66644 2.25686 -214.94958 542.02121
6140.0000 -219.62027 -213.03069 6.58958 2.30368 -214.02327 581.82544
6145.0000 -220.12503 -213.74821 6.37683 2.32023 -213.69571 607.50997
6150.0000 -221.04419 -214.31062 6.73357 2.27002 -214.68912 575.39014
6155.0000 -221.81094 -214.59806 7.21288 2.27844 -214.52261 604.16493
6160.0000 -221.23774 -215.41638 5.82136 2.23723 -215.33780 556.84214
6165.0000 -220.96926 -214.68254 6.28672 2.26319 -214.82421 564.96968
6170.0000 -220.15105 -213.00155 7.14950 2.32570 -213.58762 627.85707
6175.0000 -220.72716 -214.77070 5.95646 2.29929 -214.11002 602.02513
6180.0000 -221.61072 -215.83757 5.77315 2.24885 -215.10790 573.22008
6185.0000 -220.78865 -214.38784 6.40081 2.24014 -215.28025 574.52993
6190.0000 -222.35486 -215.89876 6.45610 2.24706 -215.14334 584.94370
6195.0000 -220.66429 -214.59773 6.06656 2.23329 -215.41582 551.12056
6200.0000 -220.81186 -214.12848 6.68338 2.29759 -214.14362 588.59571
6205.0000 -221.30995 -214.84647 6.46348 2.26904 -214.70842 572.05826
6210.0000 -220.96327 -214.79146 6.17182 2.26586 -214.77137 586.96435
6215.0000 -219.70835 -213.83280 5.87554 2.28656 -214.36183 601.21925
6220.0000 -219.87167 -213.00293 6.86874 2.32538 -213.59387 618.44061
6225.0000 -220.04007 -213.84805 6.19203 2.32010 -213.69825 601.20089
6230.0000 -221.61359 -215.54347 6.07013 2.26110 -214.86566 561.74437
6235.0000 -221.07800 -214.96990 6.10810 2.25279 -215.03010 556.99739
6240.0000 -220.92707 -213.61131 7.31576 2.27884 -214.51462 591.53562
6245.0000 -220.08424 -212.63605 7.44819 2.36247 -212.86011 644.43501
6250.0000 -221.14004 -213.65006 7.48998 2.32532 -213.59511 623.87956
FREEZING PROCESS: loop number 26 T-loop= 567.00000000000000
main_MD> interactions number 26 at Temperature= 567.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.93590 0.68494 -2.95837
force_rgl> df(natom) 0.34236 -0.89635 0.99894
6255.0000 -219.78800 -212.96242 6.82558 2.34230 -213.25908 617.24248
6260.0000 -221.14241 -214.15948 6.98294 2.36130 -212.88314 619.97247
6265.0000 -220.34096 -213.34905 6.99191 2.32928 -213.51676 611.03152
6270.0000 -221.79292 -215.42269 6.37022 2.30687 -213.96000 598.19768
6275.0000 -221.83540 -215.36487 6.47053 2.22022 -215.67434 549.24173
6280.0000 -221.74434 -215.70332 6.04102 2.23426 -215.39669 555.58489
6285.0000 -221.83140 -214.92790 6.90349 2.23372 -215.40721 547.88700
6290.0000 -221.98043 -217.11765 4.86278 2.22317 -215.61597 556.14430
6295.0000 -221.79627 -215.72818 6.06808 2.19058 -216.26082 519.16153
6300.0000 -221.34521 -214.78471 6.56050 2.21398 -215.79788 552.33037
6305.0000 -222.23303 -215.93763 6.29540 2.25051 -215.07517 618.76711
6310.0000 -222.51954 -216.08974 6.42980 2.22010 -215.67668 568.01299
6315.0000 -222.15397 -216.29096 5.86301 2.20621 -215.95159 573.59467
6320.0000 -222.89119 -216.46157 6.42962 2.23477 -215.38656 598.87539
6325.0000 -222.55954 -216.15101 6.40853 2.15420 -216.98061 525.53333
6330.0000 -222.82145 -216.33292 6.48853 2.17181 -216.63224 559.81212
6335.0000 -222.84464 -216.24234 6.60230 2.16874 -216.69289 543.13533
6340.0000 -223.81418 -215.97323 7.84095 2.18931 -216.28584 543.08153
6345.0000 -222.71261 -216.59246 6.12014 2.17244 -216.61964 523.80340
6350.0000 -221.51193 -215.03178 6.48015 2.21695 -215.73906 555.76207
6355.0000 -222.16046 -215.24842 6.91204 2.23170 -215.44717 541.98823
6360.0000 -221.10184 -214.44816 6.65368 2.24915 -215.10210 559.71193
6365.0000 -221.39649 -215.30773 6.08877 2.25340 -215.01789 558.77020
6370.0000 -222.11959 -215.23641 6.88317 2.24100 -215.26331 571.02414
6375.0000 -221.94923 -214.77875 7.17049 2.23331 -215.41532 566.17701
6380.0000 -222.93225 -217.03033 5.90191 2.20045 -216.06554 531.42557
6385.0000 -221.80917 -216.35130 5.45787 2.17571 -216.55509 535.46814
6390.0000 -222.32406 -215.66171 6.66235 2.18060 -216.45821 538.40371
6395.0000 -221.20015 -215.05106 6.14908 2.24646 -215.15533 574.90621
6400.0000 -221.88726 -215.30769 6.57956 2.24972 -215.09079 570.58536
6405.0000 -221.95168 -216.39661 5.55507 2.20212 -216.03256 525.05300
6410.0000 -223.12199 -216.48893 6.63305 2.17958 -216.47845 529.34491
6415.0000 -221.77723 -215.58237 6.19486 2.21736 -215.73094 580.38398
6420.0000 -222.05223 -215.80052 6.25172 2.20374 -216.00035 557.56834
6425.0000 -222.02973 -215.51596 6.51377 2.19222 -216.22832 539.61509
6430.0000 -221.47722 -215.85865 5.61857 2.18143 -216.44176 493.75446
6435.0000 -221.20905 -215.19418 6.01487 2.21334 -215.81060 540.71531
6440.0000 -222.25954 -215.89319 6.36635 2.23136 -215.45395 546.64238
6445.0000 -221.82178 -214.94994 6.87184 2.23465 -215.38889 569.06658
6450.0000 -221.22524 -214.44987 6.77537 2.24838 -215.11728 565.95538
6455.0000 -220.90709 -214.13706 6.77004 2.31478 -213.80356 607.57754
6460.0000 -222.47863 -215.26727 7.21136 2.25335 -215.01902 560.37571
6465.0000 -221.92651 -215.31690 6.60961 2.25086 -215.06819 568.05826
6470.0000 -221.45730 -215.07350 6.38380 2.28573 -214.37841 588.70807
6475.0000 -221.80149 -216.04490 5.75658 2.22361 -215.60728 548.84258
6480.0000 -222.55744 -215.69817 6.85927 2.21966 -215.68554 545.38601
6485.0000 -221.56827 -216.35919 5.20908 2.21203 -215.83646 539.89667
6490.0000 -220.85599 -214.09701 6.75898 2.24372 -215.20944 545.54565
6495.0000 -221.81258 -215.04066 6.77192 2.29975 -214.10094 586.92797
6500.0000 -221.73698 -215.17420 6.56278 2.22985 -215.48380 551.29005
FREEZING PROCESS: loop number 27 T-loop= 542.00000000000000
main_MD> interactions number 27 at Temperature= 542.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43921 1.62642 -0.23529
force_rgl> df(natom) -0.13799 -0.45319 2.31002
6505.0000 -222.55709 -216.53937 6.01772 2.21214 -215.83426 546.56755
6510.0000 -222.32972 -216.35450 5.97522 2.18416 -216.38772 521.43609
6515.0000 -221.63050 -214.89585 6.73466 2.23884 -215.30593 568.36863
6520.0000 -222.49620 -215.01615 7.48005 2.27080 -214.67367 599.62034
6525.0000 -221.01985 -215.32199 5.69785 2.25396 -215.00692 571.43719
6530.0000 -222.36840 -215.50292 6.86548 2.23723 -215.33783 554.62609
6535.0000 -222.42900 -215.90574 6.52326 2.21445 -215.78845 555.51435
6540.0000 -221.03777 -215.44753 5.59024 2.25274 -215.03102 550.61253
6545.0000 -221.58683 -214.63322 6.95361 2.25170 -215.05160 569.84944
6550.0000 -221.30109 -215.76817 5.53292 2.24729 -215.13886 575.09157
6555.0000 -220.56123 -213.94504 6.61619 2.21829 -215.71264 531.14655
6560.0000 -222.13767 -216.35788 5.77979 2.23541 -215.37393 540.97850
6565.0000 -222.22715 -215.31874 6.90841 2.19143 -216.24395 530.88433
6570.0000 -223.54486 -217.18821 6.35665 2.20321 -216.01101 549.82262
6575.0000 -223.65020 -217.87527 5.77493 2.11256 -217.80442 518.00386
6580.0000 -224.58618 -217.64898 6.93721 2.11266 -217.80230 538.14951
6585.0000 -224.38775 -217.78799 6.59976 2.11401 -217.77570 549.25647
6590.0000 -223.85812 -218.41643 5.44169 2.14027 -217.25608 567.83460
6595.0000 -223.80372 -217.69613 6.10759 2.09751 -218.10204 525.92996
6600.0000 -223.48330 -217.27478 6.20852 2.12898 -217.47953 556.09467
6605.0000 -222.71704 -216.55604 6.16100 2.14317 -217.19876 543.86463
6610.0000 -223.73526 -217.22034 6.51491 2.15837 -216.89799 554.64259
6615.0000 -222.84071 -216.95143 5.88928 2.14113 -217.23921 543.21794
6620.0000 -223.47315 -217.25600 6.21715 2.14995 -217.06463 552.32092
6625.0000 -222.96735 -217.07726 5.89010 2.14559 -217.15087 542.22221
6630.0000 -223.51127 -217.82460 5.68667 2.14698 -217.12341 540.47812
6635.0000 -223.69991 -218.24745 5.45247 2.10680 -217.91836 517.81494
6640.0000 -224.26212 -217.77739 6.48473 2.12593 -217.53983 539.39531
6645.0000 -224.33942 -217.64712 6.69230 2.11185 -217.81840 545.40131
6650.0000 -224.22519 -218.59784 5.62735 2.10368 -217.98013 527.87498
6655.0000 -223.66236 -217.75029 5.91207 2.08859 -218.27863 512.02149
6660.0000 -224.83408 -218.84240 5.99168 2.08314 -218.38647 523.93994
6665.0000 -224.67056 -218.08955 6.58101 2.08367 -218.37593 516.87643
6670.0000 -223.56145 -217.30139 6.26006 2.13425 -217.37522 538.69447
6675.0000 -224.26644 -218.88029 5.38615 2.07014 -218.64356 478.18626
6680.0000 -223.60880 -217.85516 5.75364 2.09895 -218.07362 497.02154
6685.0000 -223.82915 -217.86789 5.96126 2.12529 -217.55250 520.23255
6690.0000 -223.49022 -217.43766 6.05257 2.11651 -217.72617 514.23714
6695.0000 -223.00955 -217.47614 5.53341 2.13592 -217.34216 525.97319
6700.0000 -223.46438 -216.89002 6.57436 2.14669 -217.12904 544.59247
6705.0000 -223.87954 -218.38545 5.49409 2.11801 -217.69660 536.97058
6710.0000 -224.24273 -217.97403 6.26869 2.09775 -218.09748 505.15362
6715.0000 -224.68277 -217.91587 6.76690 2.11778 -217.70104 534.79479
6720.0000 -224.75788 -217.94454 6.81334 2.11303 -217.79503 543.33407
6725.0000 -223.97683 -216.71696 7.25987 2.09397 -218.17208 515.41312
6730.0000 -221.57939 -215.94771 5.63167 2.19653 -216.14301 585.64811
6735.0000 -224.25437 -217.28692 6.96746 2.17617 -216.54586 549.30953
6740.0000 -223.69102 -217.46264 6.22838 2.15715 -216.92217 536.41523
6745.0000 -223.63567 -218.03968 5.59599 2.13808 -217.29944 525.67394
6750.0000 -223.27749 -216.63574 6.64175 2.14965 -217.07058 543.81496
FREEZING PROCESS: loop number 28 T-loop= 517.00000000000000
main_MD> interactions number 28 at Temperature= 517.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21912 1.11397 0.89541
force_rgl> df(natom) 1.93449 -2.30989 1.97180
6755.0000 -221.85026 -217.01367 4.83659 2.17042 -216.65964 531.72154
6760.0000 -223.06065 -216.00954 7.05111 2.17622 -216.54484 545.77459
6765.0000 -222.04042 -215.84379 6.19663 2.21030 -215.87056 553.01031
6770.0000 -222.19054 -216.59003 5.60051 2.18256 -216.41952 543.76777
6775.0000 -222.21270 -216.23106 5.98164 2.19295 -216.21394 543.01356
6780.0000 -223.55743 -217.41245 6.14499 2.15455 -216.97366 516.67368
6785.0000 -222.73408 -217.50614 5.22794 2.15642 -216.93664 542.49358
6790.0000 -224.67355 -219.75721 4.91634 2.07644 -218.51906 481.31331
6795.0000 -224.46258 -218.28174 6.18084 2.06720 -218.70173 483.15574
6800.0000 -222.20609 -216.69130 5.51479 2.12532 -217.55186 517.06924
6805.0000 -222.63664 -216.35134 6.28529 2.16957 -216.67651 541.45316
6810.0000 -222.66776 -216.38849 6.27928 2.18019 -216.46645 540.68174
6815.0000 -222.56138 -216.90431 5.65708 2.15219 -217.02041 514.62594
6820.0000 -222.71229 -217.45694 5.25536 2.15194 -217.02527 492.91660
6825.0000 -223.12673 -217.02281 6.10392 2.13761 -217.30876 496.34819
6830.0000 -223.11343 -217.69722 5.41621 2.15035 -217.05679 495.50068
6835.0000 -222.17372 -217.24272 4.93100 2.13677 -217.32542 478.55172
6840.0000 -222.33745 -216.48821 5.84925 2.15744 -216.91648 500.76064
6845.0000 -222.56280 -217.06558 5.49722 2.17398 -216.58916 519.39284
6850.0000 -223.33742 -216.97529 6.36213 2.16860 -216.69563 506.63795
6855.0000 -223.08311 -216.13444 6.94867 2.19063 -216.25973 530.88218
6860.0000 -222.26059 -216.12544 6.13515 2.21671 -215.74377 551.85047
6865.0000 -222.79617 -216.49884 6.29734 2.15960 -216.87362 528.82695
6870.0000 -222.35646 -216.89548 5.46098 2.13425 -217.37525 476.44610
6875.0000 -223.25859 -216.77990 6.47869 2.15881 -216.88932 515.36867
6880.0000 -223.66005 -216.88153 6.77853 2.13888 -217.28367 510.81870
6885.0000 -223.55180 -216.73757 6.81423 2.16306 -216.80531 541.92869
6890.0000 -222.04464 -215.82606 6.21858 2.17624 -216.54442 528.92156
6895.0000 -222.04719 -216.86198 5.18522 2.21375 -215.80238 553.26240
6900.0000 -223.59903 -217.43601 6.16302 2.12690 -217.52074 522.72192
6905.0000 -222.40853 -216.52838 5.88015 2.13861 -217.28904 544.99852
6910.0000 -224.65553 -218.42977 6.22576 2.11602 -217.73600 528.36567
6915.0000 -223.85383 -217.61227 6.24156 2.10382 -217.97720 516.49456
6920.0000 -224.33964 -219.26278 5.07686 2.07986 -218.45127 524.82526
6925.0000 -223.28434 -217.19388 6.09046 2.09999 -218.05303 519.23533
6930.0000 -223.82418 -217.57321 6.25097 2.11813 -217.69417 534.31664
6935.0000 -223.75126 -218.48899 5.26227 2.14960 -217.07163 545.68354
6940.0000 -224.02727 -218.63864 5.38862 2.05814 -218.88100 505.44794
6945.0000 -225.01090 -218.75706 6.25384 2.05013 -219.03955 498.70040
6950.0000 -225.26669 -220.29765 4.96904 2.00744 -219.88414 466.19192
6955.0000 -223.64875 -217.71275 5.93600 2.04987 -219.04472 489.74448
6960.0000 -223.99717 -218.78768 5.20949 2.09198 -218.21152 503.51833
6965.0000 -223.78529 -218.05179 5.73350 2.07549 -218.53770 507.09251
6970.0000 -224.23138 -218.03728 6.19410 2.09571 -218.13768 509.87744
6975.0000 -223.09820 -216.83322 6.26498 2.14033 -217.25493 555.58504
6980.0000 -223.81992 -217.08390 6.73602 2.15205 -217.02305 549.52556
6985.0000 -223.54192 -217.38565 6.15628 2.14321 -217.19792 543.08446
6990.0000 -223.54225 -217.12479 6.41746 2.14244 -217.21326 548.89703
6995.0000 -223.13251 -217.33408 5.79843 2.14290 -217.20421 543.77129
7000.0000 -222.29690 -216.27003 6.02687 2.15321 -217.00005 544.65870
FREEZING PROCESS: loop number 29 T-loop= 492.00000000000000
main_MD> interactions number 29 at Temperature= 492.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02399 -0.92422 1.53424
force_rgl> df(natom) -2.27468 1.80367 0.26689
7005.0000 -223.74400 -217.20212 6.54188 2.15091 -217.04561 525.24732
7010.0000 -223.05721 -216.85996 6.19725 2.14559 -217.15088 518.02988
7015.0000 -222.60081 -216.91339 5.68742 2.16726 -216.72208 522.79766
7020.0000 -222.76935 -217.79258 4.97677 2.14539 -217.15493 507.30399
7025.0000 -223.73129 -218.77988 4.95141 2.08616 -218.32673 474.42315
7030.0000 -223.28710 -218.07837 5.20873 2.07149 -218.61696 456.76850
7035.0000 -223.23910 -217.28208 5.95701 2.13526 -217.35520 506.37052
7040.0000 -223.26877 -217.38858 5.88019 2.12265 -217.60484 510.51055
7045.0000 -224.08990 -217.82305 6.26685 2.11265 -217.80252 510.02035
7050.0000 -223.65948 -217.74420 5.91529 2.13001 -217.45921 551.73220
7055.0000 -223.64651 -218.16363 5.48288 2.11815 -217.69387 551.97340
7060.0000 -224.23539 -218.94082 5.29457 2.04884 -219.06511 499.95553
7065.0000 -225.24930 -219.11392 6.13538 2.05791 -218.88568 502.03619
7070.0000 -224.77305 -218.91181 5.86124 2.04873 -219.06714 499.99928
7075.0000 -225.11526 -219.19177 5.92350 2.04065 -219.22709 487.38535
7080.0000 -225.07817 -219.70052 5.37764 2.01329 -219.76831 466.61468
7085.0000 -224.79761 -219.57236 5.22526 2.04545 -219.13204 495.61593
7090.0000 -225.00597 -219.57121 5.43476 2.04580 -219.12516 486.01126
7095.0000 -225.09142 -219.65885 5.43257 2.00822 -219.86864 467.72673
7100.0000 -224.40081 -218.81480 5.58600 2.02724 -219.49243 473.82631
7105.0000 -225.72478 -220.47113 5.25365 2.02391 -219.55831 477.90171
7110.0000 -225.08551 -219.83863 5.24688 1.97346 -220.55641 446.77260
7115.0000 -225.22370 -219.72051 5.50319 2.00119 -220.00773 462.91663
7120.0000 -225.97007 -220.71103 5.25904 2.00695 -219.89387 464.45221
7125.0000 -225.10527 -220.31101 4.79426 1.98585 -220.31119 458.19274
7130.0000 -224.36964 -219.14913 5.22050 2.03249 -219.38858 482.84033
7135.0000 -224.32541 -219.27541 5.04999 2.04869 -219.06798 489.95567
7140.0000 -224.76502 -219.58504 5.17998 2.02348 -219.56676 477.46360
7145.0000 -225.18445 -219.38239 5.80206 2.00869 -219.85944 460.15054
7150.0000 -224.31458 -218.32525 5.98932 2.04834 -219.07502 499.84724
7155.0000 -224.00020 -218.25624 5.74396 2.09564 -218.13912 537.03667
7160.0000 -224.57898 -218.69034 5.88864 2.06156 -218.81337 492.28779
7165.0000 -223.41583 -217.29994 6.11590 2.10189 -218.01552 507.81752
7170.0000 -223.94191 -218.29208 5.64982 2.10948 -217.86529 517.30000
7175.0000 -223.53029 -218.42113 5.10917 2.08876 -218.27525 494.75385
7180.0000 -223.71001 -218.69218 5.01783 2.07592 -218.52926 495.14282
7185.0000 -224.73766 -219.73320 5.00446 2.04577 -219.12578 470.94253
7190.0000 -225.13410 -219.68398 5.45012 1.99611 -220.10823 439.18110
7195.0000 -224.96410 -220.08147 4.88264 1.99642 -220.10216 444.27137
7200.0000 -225.06227 -219.76711 5.29516 2.01556 -219.72354 469.79710
7205.0000 -224.08744 -218.30056 5.78688 2.04918 -219.05825 493.19687
7210.0000 -224.68701 -219.46012 5.22689 2.05647 -218.91411 480.15472
7215.0000 -223.36085 -218.19962 5.16123 2.08635 -218.32286 496.45223
7220.0000 -223.12176 -217.15257 5.96918 2.11386 -217.77861 505.82996
7225.0000 -223.62504 -218.04242 5.58262 2.11941 -217.66886 499.14943
7230.0000 -224.21360 -219.23609 4.97751 2.05715 -218.90057 472.81880
7235.0000 -224.05543 -218.93324 5.12218 2.03627 -219.31377 455.91033
7240.0000 -224.35304 -219.18175 5.17129 2.05274 -218.98793 475.82665
7245.0000 -224.62224 -219.93197 4.69027 2.03865 -219.26666 468.49520
7250.0000 -224.12125 -218.96561 5.15564 2.03244 -219.38942 459.92921
FREEZING PROCESS: loop number 30 T-loop= 467.00000000000000
main_MD> interactions number 30 at Temperature= 467.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00440 0.52593 1.00489
force_rgl> df(natom) 0.51983 -1.09006 -2.26437
7255.0000 -224.92246 -219.59665 5.32582 2.04054 -219.22921 462.95387
7260.0000 -224.99784 -219.48525 5.51259 2.01145 -219.80486 441.83142
7265.0000 -224.73856 -218.87310 5.86546 2.01757 -219.68362 450.21744
7270.0000 -224.68808 -218.67344 6.01464 2.06968 -218.65276 474.38684
7275.0000 -225.28199 -219.80980 5.47219 2.04847 -219.07229 461.11532
7280.0000 -225.92193 -220.44938 5.47255 2.00849 -219.86324 447.83075
7285.0000 -225.21951 -220.40282 4.81669 1.99002 -220.22881 446.38411
7290.0000 -225.98182 -221.44556 4.53626 1.95167 -220.98742 437.22898
7295.0000 -226.24263 -221.84512 4.39751 1.93076 -221.40117 426.19325
7300.0000 -226.52529 -221.63299 4.89230 1.92123 -221.58965 418.86056
7305.0000 -225.60997 -219.99562 5.61435 1.95229 -220.97515 444.10988
7310.0000 -226.14100 -220.68722 5.45378 1.96991 -220.62665 452.24414
7315.0000 -224.60686 -219.65075 4.95610 1.97369 -220.55178 457.86071
7320.0000 -226.52752 -221.46593 5.06160 1.96298 -220.76372 445.67481
7325.0000 -224.95590 -220.44812 4.50778 1.95396 -220.94225 442.49143
7330.0000 -224.42980 -219.84733 4.58246 2.02358 -219.56478 491.41932
7335.0000 -226.05159 -220.69303 5.35856 1.98752 -220.27827 463.65587
7340.0000 -225.86520 -220.61095 5.25425 1.96846 -220.65522 452.40986
7345.0000 -224.55140 -219.61297 4.93843 2.03227 -219.39278 481.33685
7350.0000 -226.36744 -221.90286 4.46458 1.97411 -220.54352 443.45929
7355.0000 -225.19368 -220.04503 5.14865 1.96322 -220.75892 450.86994
7360.0000 -225.87831 -220.18675 5.69157 1.98996 -220.22985 468.12462
7365.0000 -225.25336 -219.90371 5.34966 1.98994 -220.23040 470.61178
7370.0000 -225.14458 -220.40657 4.73801 2.00476 -219.93721 465.86262
7375.0000 -225.87426 -221.29582 4.57844 1.96158 -220.79139 445.12499
7380.0000 -225.57499 -220.52479 5.05020 1.97404 -220.54492 452.31779
7385.0000 -225.06221 -220.26137 4.80084 1.98155 -220.39635 459.07577
7390.0000 -225.87195 -220.63159 5.24036 1.98037 -220.41973 462.15026
7395.0000 -225.45714 -219.30664 6.15050 1.99019 -220.22537 454.24160
7400.0000 -223.46537 -218.22636 5.23901 2.04173 -219.20568 491.32842
7405.0000 -225.41376 -219.15075 6.26301 2.08031 -218.44247 510.02029
7410.0000 -225.31475 -220.49211 4.82263 1.99664 -220.09787 466.54352
7415.0000 -225.57474 -220.70784 4.86690 1.96798 -220.66489 444.04390
7420.0000 -225.15398 -220.73561 4.41837 1.98283 -220.37107 450.73089
7425.0000 -225.81274 -220.80431 5.00843 1.97795 -220.46756 446.30875
7430.0000 -225.67831 -220.64407 5.03424 1.97791 -220.46837 444.91586
7435.0000 -225.14803 -219.30488 5.84315 2.01309 -219.77236 481.36980
7440.0000 -225.51243 -220.11920 5.39323 2.03260 -219.38631 509.51235
7445.0000 -225.24027 -219.34022 5.90005 2.03329 -219.37261 502.97454
7450.0000 -225.70903 -220.67141 5.03762 1.98691 -220.29035 470.70972
7455.0000 -225.70351 -221.03699 4.66652 1.94852 -221.04982 439.09370
7460.0000 -225.73564 -220.87732 4.85831 1.95675 -220.88701 444.59372
7465.0000 -224.70647 -218.91899 5.78748 1.97857 -220.45530 460.07571
7470.0000 -225.01363 -219.24957 5.76406 2.03318 -219.37484 500.36989
7475.0000 -225.13742 -220.01645 5.12096 2.00826 -219.86793 461.34228
7480.0000 -225.43116 -220.36137 5.06979 2.00725 -219.88787 465.64614
7485.0000 -225.60116 -219.79992 5.80123 1.99122 -220.20496 474.44478
7490.0000 -225.63033 -220.51558 5.11474 1.99351 -220.15961 471.65541
7495.0000 -225.35189 -220.28278 5.06911 1.97902 -220.44641 453.31675
7500.0000 -225.69851 -221.06817 4.63034 1.96125 -220.79801 446.53841
FREEZING PROCESS: loop number 31 T-loop= 442.00000000000000
main_MD> interactions number 31 at Temperature= 442.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47932 -0.28787 -2.68087
force_rgl> df(natom) -0.03802 1.75659 1.01336
7505.0000 -225.66603 -220.66904 4.99699 1.95431 -220.93524 443.51061
7510.0000 -225.78472 -220.76401 5.02072 1.96803 -220.66390 448.51849
7515.0000 -226.19448 -220.00432 6.19016 1.99285 -220.17282 476.00644
7520.0000 -225.24278 -219.52358 5.71919 2.01272 -219.77958 475.08775
7525.0000 -225.41986 -221.06880 4.35106 2.01862 -219.66298 479.35900
7530.0000 -225.77228 -221.70515 4.06712 1.92971 -221.42192 422.92519
7535.0000 -226.66771 -221.74823 4.91948 1.91615 -221.69022 413.79124
7540.0000 -226.46152 -221.49013 4.97139 1.92945 -221.42716 417.43603
7545.0000 -226.36047 -221.26305 5.09743 1.93357 -221.34559 421.54237
7550.0000 -225.83997 -220.42069 5.41928 1.95228 -220.97532 439.56202
7555.0000 -225.82376 -220.69937 5.12439 1.98185 -220.39033 457.76287
7560.0000 -226.21418 -221.26829 4.94589 1.96099 -220.80317 444.12521
7565.0000 -226.58785 -221.58163 5.00622 1.94544 -221.11082 438.94806
7570.0000 -226.47494 -221.53885 4.93609 1.92159 -221.58255 418.78386
7575.0000 -225.72084 -220.87176 4.84908 1.91072 -221.79757 407.63931
7580.0000 -226.30890 -221.66658 4.64232 1.93726 -221.27262 432.50527
7585.0000 -225.91842 -221.05984 4.85858 1.92258 -221.56310 417.14646
7590.0000 -225.04714 -219.78581 5.26133 1.95613 -220.89925 444.76768
7595.0000 -225.56921 -220.29811 5.27110 1.99373 -220.15526 473.10043
7600.0000 -225.77367 -220.98330 4.79037 1.98911 -220.24681 468.93763
7605.0000 -225.75175 -221.02334 4.72840 1.96244 -220.77438 446.87365
7610.0000 -226.61475 -221.47763 5.13712 1.92130 -221.58828 415.70493
7615.0000 -225.91342 -220.86834 5.04508 1.95767 -220.86875 443.18738
7620.0000 -225.34790 -220.39429 4.95360 1.96517 -220.72034 450.49877
7625.0000 -225.84712 -221.01537 4.83175 1.95124 -220.99595 441.95098
7630.0000 -226.41198 -222.25417 4.15781 1.92597 -221.49601 418.00519
7635.0000 -225.06931 -220.93176 4.13755 1.91658 -221.68168 409.56115
7640.0000 -226.04366 -221.07018 4.97348 1.92989 -221.41842 423.10617
7645.0000 -225.85964 -221.06332 4.79632 1.94369 -221.14535 433.03997
7650.0000 -225.57610 -220.64800 4.92810 1.96051 -220.81255 440.11353
7655.0000 -225.23570 -220.41035 4.82535 1.97372 -220.55117 450.57978
7660.0000 -225.26436 -219.61906 5.64530 2.00726 -219.88773 477.87144
7665.0000 -225.08840 -219.97126 5.11714 1.99809 -220.06907 470.75266
7670.0000 -224.89253 -220.38106 4.51148 1.98883 -220.25239 453.55847
7675.0000 -225.36260 -220.27892 5.08369 1.99559 -220.11858 473.10580
7680.0000 -225.76357 -221.13761 4.62596 1.96396 -220.74427 449.05039
7685.0000 -226.36235 -221.16836 5.19399 1.94396 -221.13998 438.17917
7690.0000 -225.97906 -221.41453 4.56452 1.93777 -221.26247 431.69010
7695.0000 -225.18213 -220.65555 4.52659 1.96545 -220.71480 451.94230
7700.0000 -226.03418 -220.86925 5.16493 1.93688 -221.28006 429.96845
7705.0000 -226.41975 -221.29805 5.12170 1.95523 -220.91697 445.99810
7710.0000 -225.86880 -220.75887 5.10993 1.95489 -220.92387 442.23518
7715.0000 -225.57921 -220.29751 5.28171 1.97826 -220.46138 459.35342
7720.0000 -226.19161 -220.41707 5.77454 1.96419 -220.73971 445.02465
7725.0000 -225.81162 -220.10682 5.70480 1.98148 -220.39779 461.40340
7730.0000 -225.96968 -220.97020 4.99948 1.96464 -220.73084 447.43388
7735.0000 -224.98892 -220.11844 4.87048 1.97562 -220.51355 457.63357
7740.0000 -226.14319 -221.81337 4.32981 1.94931 -221.03409 437.05635
7745.0000 -226.22642 -221.13843 5.08799 1.91464 -221.72016 412.39105
7750.0000 -226.15722 -220.61718 5.54004 1.91877 -221.63832 415.91884
FREEZING PROCESS: loop number 32 T-loop= 417.00000000000000
main_MD> interactions number 32 at Temperature= 417.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85720 1.36186 2.54195
force_rgl> df(natom) -2.62418 0.48127 -0.76495
7755.0000 -225.92461 -220.65925 5.26536 1.95901 -220.84223 447.14590
7760.0000 -225.99165 -220.52012 5.47154 1.94962 -221.02809 436.89608
7765.0000 -226.01957 -220.64310 5.37647 1.97645 -220.49721 463.17277
7770.0000 -226.98641 -222.81601 4.17040 1.91964 -221.62114 412.25367
7775.0000 -226.94651 -221.98883 4.95768 1.90254 -221.95949 399.96059
7780.0000 -226.75776 -221.23285 5.52492 1.92985 -221.41911 423.43310
7785.0000 -226.44599 -221.14018 5.30581 1.94644 -221.09088 433.68625
7790.0000 -225.86848 -220.29170 5.57678 1.96530 -220.71791 451.38788
7795.0000 -225.67408 -220.66933 5.00474 1.95262 -220.96859 439.49647
7800.0000 -226.09047 -221.75835 4.33212 1.93744 -221.26903 416.33945
7805.0000 -226.49520 -221.28095 5.21425 1.91998 -221.61440 401.85964
7810.0000 -226.41928 -221.04700 5.37228 1.92966 -221.42300 410.80069
7815.0000 -225.70177 -220.60765 5.09412 1.94481 -221.12316 435.82620
7820.0000 -226.04614 -221.88064 4.16550 1.92809 -221.45409 422.83943
7825.0000 -226.32510 -221.97990 4.34521 1.92427 -221.52948 418.04116
7830.0000 -226.89381 -222.82445 4.06936 1.89310 -222.14628 394.27632
7835.0000 -226.44607 -221.18519 5.26089 1.90966 -221.81858 411.28446
7840.0000 -226.84800 -221.38673 5.46127 1.93222 -221.37233 424.86907
7845.0000 -226.06475 -221.60786 4.45689 1.92188 -221.57679 416.16458
7850.0000 -226.52212 -221.63333 4.88879 1.92038 -221.60663 417.69126
7855.0000 -226.48582 -221.50492 4.98090 1.94245 -221.16991 436.90551
7860.0000 -225.23066 -220.42411 4.80656 1.96300 -220.76327 448.34274
7865.0000 -225.71600 -221.19176 4.52424 1.92691 -221.47729 414.17995
7870.0000 -226.35185 -220.95739 5.39446 1.94591 -221.10144 431.98222
7875.0000 -225.48988 -220.14965 5.34023 1.98785 -220.27164 465.17819
7880.0000 -225.56300 -220.80996 4.75304 1.96999 -220.62501 450.49056
7885.0000 -225.81744 -221.44695 4.37050 1.93823 -221.25338 427.62422
7890.0000 -225.96894 -221.54315 4.42579 1.92996 -221.41708 420.81639
7895.0000 -226.32364 -221.97149 4.35215 1.92893 -221.43730 419.90414
7900.0000 -226.25762 -221.58562 4.67200 1.91347 -221.74329 410.87403
7905.0000 -225.74453 -220.58516 5.15937 1.93728 -221.27217 424.12956
7910.0000 -226.60079 -221.60291 4.99788 1.95942 -220.83413 446.27100
7915.0000 -226.45527 -222.53776 3.91752 1.90625 -221.88615 406.14599
7920.0000 -226.89535 -221.86152 5.03383 1.88895 -222.22832 391.48893
7925.0000 -225.84884 -221.42419 4.42466 1.91932 -221.62759 417.74536
7930.0000 -227.08254 -222.40536 4.67718 1.88937 -222.22007 394.23123
7935.0000 -226.21694 -222.01959 4.19735 1.88231 -222.35979 384.29862
7940.0000 -226.40808 -221.80479 4.60330 1.92326 -221.54957 416.35985
7945.0000 -226.45433 -221.69189 4.76244 1.91914 -221.63111 409.45710
7950.0000 -225.62500 -221.44793 4.17708 1.93467 -221.32380 429.71074
7955.0000 -225.52432 -220.06210 5.46222 1.95447 -220.93209 439.74466
7960.0000 -226.11199 -221.44121 4.67078 1.96378 -220.74782 442.57100
7965.0000 -226.09194 -221.16769 4.92425 1.94158 -221.18717 430.39022
7970.0000 -225.74790 -221.35549 4.39241 1.93554 -221.30668 432.93753
7975.0000 -226.47944 -222.18142 4.29802 1.93344 -221.34812 429.62121
7980.0000 -226.88122 -222.12041 4.76081 1.89183 -222.17131 394.52120
7985.0000 -226.70602 -222.91905 3.78698 1.88969 -222.21381 391.72763
7990.0000 -226.85687 -222.56299 4.29388 1.88047 -222.39607 388.70698
7995.0000 -226.06413 -221.90379 4.16034 1.87731 -222.45860 378.87899
8000.0000 -227.67244 -223.07316 4.59928 1.88931 -222.22116 393.50637
FREEZING PROCESS: loop number 33 T-loop= 392.00000000000000
main_MD> interactions number 33 at Temperature= 392.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59539 1.63131 -0.53090
force_rgl> df(natom) -0.50263 -0.23744 -0.53559
8005.0000 -227.01160 -222.24028 4.77131 1.85880 -222.82479 368.80921
8010.0000 -226.84649 -221.73801 5.10848 1.90478 -221.91523 405.19710
8015.0000 -225.42988 -221.47783 3.95205 1.93042 -221.40787 420.01781
8020.0000 -227.07947 -222.86339 4.21609 1.89838 -222.04176 397.66604
8025.0000 -226.88591 -222.85724 4.02867 1.87099 -222.58361 377.78342
8030.0000 -225.98699 -222.23481 3.75218 1.88020 -222.40147 384.05235
8035.0000 -226.76496 -222.23225 4.53271 1.89065 -222.19472 390.68659
8040.0000 -226.34980 -221.97812 4.37169 1.88286 -222.34877 385.90842
8045.0000 -226.84496 -222.81767 4.02729 1.88905 -222.22639 396.08289
8050.0000 -226.66025 -222.07411 4.58613 1.88396 -222.32699 387.51048
8055.0000 -226.53029 -221.91115 4.61913 1.86153 -222.77084 370.44905
8060.0000 -226.41583 -221.49624 4.91959 1.88161 -222.37365 382.46639
8065.0000 -226.48154 -221.92160 4.55994 1.91044 -221.80326 404.74771
8070.0000 -226.31486 -222.35264 3.96221 1.87397 -222.52480 378.88464
8075.0000 -227.12467 -222.98278 4.14188 1.85438 -222.91230 365.21742
8080.0000 -227.41732 -223.22481 4.19251 1.84476 -223.10253 356.14571
8085.0000 -227.20932 -223.29526 3.91406 1.82083 -223.57602 338.55948
8090.0000 -227.56118 -223.57831 3.98287 1.83263 -223.34266 347.64041
8095.0000 -227.26583 -223.30821 3.95762 1.83185 -223.35797 346.53160
8100.0000 -226.61205 -222.01231 4.59974 1.85880 -222.82486 366.81332
8105.0000 -226.77880 -222.07332 4.70548 1.88654 -222.27610 390.12866
8110.0000 -226.92132 -222.00102 4.92031 1.90606 -221.88976 404.67853
8115.0000 -227.20521 -222.60033 4.60488 1.90958 -221.82017 406.57854
8120.0000 -226.54999 -222.78845 3.76154 1.85033 -222.99249 360.48119
8125.0000 -226.84505 -222.85978 3.98527 1.86267 -222.74830 369.74941
8130.0000 -227.34089 -222.58938 4.75150 1.87972 -222.41094 382.16126
8135.0000 -226.86903 -222.67589 4.19314 1.86416 -222.71886 373.51037
8140.0000 -226.68196 -222.32812 4.35384 1.86795 -222.64383 375.59281
8145.0000 -226.82275 -222.53541 4.28735 1.89882 -222.03311 394.89402
8150.0000 -226.80289 -222.61368 4.18920 1.86241 -222.75341 369.66066
8155.0000 -226.50060 -222.22241 4.27820 1.89065 -222.19475 390.19864
8160.0000 -226.80806 -222.45644 4.35162 1.87344 -222.53519 370.87298
8165.0000 -227.06055 -222.99076 4.06979 1.86628 -222.67694 370.82891
8170.0000 -227.43079 -222.72626 4.70454 1.87657 -222.47336 383.14332
8175.0000 -226.46657 -221.68933 4.77725 1.88879 -222.23151 391.67516
8180.0000 -226.95552 -222.45520 4.50033 1.90088 -221.99228 400.97228
8185.0000 -226.65006 -222.19572 4.45434 1.88325 -222.34104 390.33753
8190.0000 -226.38362 -222.53486 3.84876 1.86034 -222.79437 370.25808
8195.0000 -226.40342 -221.68978 4.71363 1.92651 -221.48531 419.13955
8200.0000 -226.60477 -221.64987 4.95490 1.90663 -221.87849 406.28342
8205.0000 -226.73335 -222.42814 4.30520 1.92421 -221.53082 416.31085
8210.0000 -226.39558 -222.23146 4.16412 1.87620 -222.48067 383.11802
8215.0000 -226.55940 -222.50203 4.05737 1.86795 -222.64376 376.84453
8220.0000 -226.48171 -222.03954 4.44217 1.89013 -222.20502 389.14197
8225.0000 -226.65461 -222.17985 4.47476 1.87701 -222.46462 375.26041
8230.0000 -226.44677 -222.17422 4.27256 1.89555 -222.09773 387.29332
8235.0000 -226.45485 -222.10797 4.34688 1.90036 -222.00263 392.90434
8240.0000 -226.89359 -222.03596 4.85763 1.89472 -222.11412 389.11866
8245.0000 -226.90929 -222.89885 4.01044 1.89444 -222.11965 386.67401
8250.0000 -226.66114 -221.95142 4.70972 1.87700 -222.46484 376.80730
FREEZING PROCESS: loop number 34 T-loop= 367.00000000000000
main_MD> interactions number 34 at Temperature= 367.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19230 0.37453 -1.00791
force_rgl> df(natom) 2.34088 0.39404 -0.83554
8255.0000 -226.21343 -221.68898 4.52445 1.90016 -222.00665 392.53875
8260.0000 -226.33386 -222.60405 3.72981 1.92973 -221.42150 417.15505
8265.0000 -227.75027 -223.53751 4.21276 1.85418 -222.91632 354.91338
8270.0000 -226.62875 -222.33101 4.29774 1.85926 -222.81576 358.80789
8275.0000 -226.85551 -222.62397 4.23154 1.89929 -222.02371 383.82175
8280.0000 -226.70444 -222.59618 4.10826 1.87451 -222.51401 367.34978
8285.0000 -226.28831 -221.74989 4.53841 1.89734 -222.06240 382.94818
8290.0000 -226.75553 -222.37805 4.37748 1.89938 -222.02204 385.66553
8295.0000 -226.37528 -222.46517 3.91011 1.85296 -222.94047 352.71999
8300.0000 -226.69760 -223.19618 3.50142 1.86249 -222.75194 365.03044
8305.0000 -226.96842 -223.53208 3.43634 1.84156 -223.16596 344.42907
8310.0000 -227.40793 -223.08877 4.31916 1.83902 -223.21609 343.80858
8315.0000 -227.03715 -223.30526 3.73189 1.82789 -223.43646 334.54061
8320.0000 -226.90737 -223.06142 3.84595 1.83489 -223.29780 346.45554
8325.0000 -226.54028 -222.66808 3.87220 1.86311 -222.73954 361.50619
8330.0000 -227.37609 -223.30388 4.07221 1.85682 -222.86397 362.17787
8335.0000 -226.72647 -222.27717 4.44931 1.85253 -222.94887 356.78918
8340.0000 -227.09863 -222.67282 4.42581 1.87565 -222.49146 377.04666
8345.0000 -226.18349 -222.24480 3.93870 1.86560 -222.69027 367.98587
8350.0000 -226.60197 -222.44842 4.15355 1.87062 -222.59095 365.54350
8355.0000 -227.19587 -222.98941 4.20647 1.85704 -222.85968 358.96227
8360.0000 -226.70159 -222.48601 4.21558 1.85401 -222.91971 360.45664
8365.0000 -227.05430 -222.10506 4.94924 1.85778 -222.84499 361.39839
8370.0000 -227.07982 -222.76975 4.31006 1.89149 -222.17817 388.17576
8375.0000 -226.55153 -222.45255 4.09898 1.87702 -222.46444 381.19383
8380.0000 -226.69133 -222.90785 3.78348 1.87104 -222.58267 369.86875
8385.0000 -227.27757 -223.37994 3.89763 1.84739 -223.05062 347.86623
8390.0000 -227.23399 -222.42360 4.81040 1.85127 -222.97389 361.03137
8395.0000 -227.05771 -223.25340 3.80431 1.86405 -222.72092 366.32095
8400.0000 -227.10234 -222.40099 4.70135 1.86726 -222.65738 364.62771
8405.0000 -227.22116 -223.01666 4.20450 1.87621 -222.48035 373.77453
8410.0000 -226.68635 -222.87310 3.81325 1.85900 -222.82084 354.95148
8415.0000 -226.63947 -221.96529 4.67417 1.85959 -222.80919 358.76332
8420.0000 -226.77984 -222.19324 4.58660 1.89123 -222.18322 386.70722
8425.0000 -227.08098 -223.18982 3.89116 1.87931 -222.41900 378.81082
8430.0000 -227.35638 -223.45678 3.89960 1.84453 -223.10708 351.92908
8435.0000 -226.87276 -222.58102 4.29174 1.84797 -223.03916 353.63719
8440.0000 -226.63901 -222.72116 3.91784 1.87627 -222.47913 374.83608
8445.0000 -226.68480 -222.22056 4.46423 1.86809 -222.64097 364.16803
8450.0000 -226.56733 -222.20675 4.36058 1.86566 -222.68923 363.01463
8455.0000 -226.90507 -222.44865 4.45642 1.89065 -222.19480 391.57753
8460.0000 -226.98745 -223.09840 3.88905 1.86096 -222.78208 364.51703
8465.0000 -226.71165 -222.52205 4.18959 1.86908 -222.62138 370.02252
8470.0000 -226.89994 -222.56195 4.33799 1.87610 -222.48256 373.27278
8475.0000 -227.06653 -222.88941 4.17712 1.84978 -223.00335 355.96165
8480.0000 -226.52423 -223.28169 3.24254 1.85712 -222.85812 355.98948
8485.0000 -226.16330 -222.45299 3.71031 1.84593 -223.07938 353.30858
8490.0000 -227.01028 -223.10195 3.90833 1.87235 -222.55670 371.05851
8495.0000 -227.11473 -222.29284 4.82189 1.86769 -222.64897 367.47618
8500.0000 -227.00536 -223.02113 3.98422 1.88304 -222.34520 380.68288
FREEZING PROCESS: loop number 35 T-loop= 342.00000000000000
main_MD> interactions number 35 at Temperature= 342.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57544 1.28385 0.92832
force_rgl> df(natom) 1.50009 -0.05328 -1.93116
8505.0000 -226.98734 -223.20442 3.78292 1.84188 -223.15961 349.12684
8510.0000 -227.69260 -223.51615 4.17645 1.84712 -223.05592 346.07421
8515.0000 -227.24750 -223.55048 3.69702 1.82479 -223.49769 339.70749
8520.0000 -227.76698 -223.60728 4.15970 1.82420 -223.50933 331.35709
8525.0000 -227.31364 -223.46344 3.85020 1.82657 -223.46241 328.95084
8530.0000 -227.61358 -224.12640 3.48717 1.80301 -223.92856 312.07995
8535.0000 -227.56951 -224.26254 3.30697 1.79309 -224.12484 302.05426
8540.0000 -226.86443 -223.34524 3.51919 1.82404 -223.51260 330.04586
8545.0000 -226.77773 -222.89885 3.87888 1.84728 -223.05271 345.17431
8550.0000 -227.41373 -223.59583 3.81791 1.83178 -223.35943 334.78166
8555.0000 -227.03690 -222.99228 4.04462 1.83564 -223.28300 336.44594
8560.0000 -227.03467 -222.81576 4.21890 1.84549 -223.08827 346.01343
8565.0000 -226.33849 -222.59078 3.74771 1.85243 -222.95086 356.46903
8570.0000 -227.22234 -222.04408 5.17826 1.87367 -222.53056 374.93594
8575.0000 -227.07356 -222.78512 4.28844 1.86595 -222.68342 367.94332
8580.0000 -226.72853 -222.60928 4.11926 1.84509 -223.09619 348.20981
8585.0000 -227.73323 -223.52127 4.21196 1.84834 -223.03170 350.73291
8590.0000 -227.16836 -223.50353 3.66483 1.83426 -223.31043 341.80378
8595.0000 -227.16491 -222.97406 4.19085 1.83954 -223.20596 344.27874
8600.0000 -226.73364 -222.94119 3.79246 1.84135 -223.17010 348.77967
8605.0000 -225.80640 -221.17172 4.63468 1.88897 -222.22802 383.44126
8610.0000 -227.45238 -222.88000 4.57238 1.86868 -222.62948 364.62203
8615.0000 -226.76322 -223.12170 3.64152 1.84422 -223.11334 347.71758
8620.0000 -227.18352 -222.81612 4.36741 1.86460 -222.71005 366.44967
8625.0000 -227.20704 -223.31936 3.88768 1.85722 -222.85612 358.89512
8630.0000 -227.57654 -223.50062 4.07592 1.81415 -223.70826 324.71185
8635.0000 -227.22698 -222.92691 4.30007 1.82768 -223.44058 336.15396
8640.0000 -226.99874 -222.28247 4.71626 1.87342 -222.53564 373.29733
8645.0000 -227.10482 -222.98131 4.12351 1.85901 -222.82077 363.38350
8650.0000 -227.29787 -223.38615 3.91172 1.82958 -223.40288 338.71954
8655.0000 -227.64111 -223.48678 4.15433 1.83523 -223.29114 343.09424
8660.0000 -227.12952 -222.55315 4.57637 1.84867 -223.02536 355.85618
8665.0000 -227.48402 -223.16628 4.31774 1.84345 -223.12846 350.54751
8670.0000 -226.79641 -223.08389 3.71251 1.87006 -222.60200 368.47379
8675.0000 -227.14672 -223.11647 4.03025 1.84505 -223.09679 349.47004
8680.0000 -226.46598 -222.21202 4.25396 1.87330 -222.53806 371.19421
8685.0000 -227.68400 -223.57728 4.10672 1.85576 -222.88503 356.58310
8690.0000 -226.64871 -223.34189 3.30682 1.83096 -223.37556 339.29022
8695.0000 -226.93254 -223.06166 3.87089 1.84085 -223.18007 346.36477
8700.0000 -227.17187 -223.28463 3.88724 1.82985 -223.39756 337.16431
8705.0000 -227.54432 -223.45846 4.08586 1.81661 -223.65957 327.96949
8710.0000 -227.03362 -222.87128 4.16234 1.83266 -223.34198 339.12169
8715.0000 -227.31259 -223.53221 3.78038 1.84399 -223.11795 348.32208
8720.0000 -226.90572 -222.79467 4.11105 1.83270 -223.34131 335.77346
8725.0000 -226.28877 -222.89944 3.38933 1.85258 -222.94799 347.61522
8730.0000 -227.11085 -223.59785 3.51300 1.81815 -223.62903 324.39669
8735.0000 -227.41423 -223.41585 3.99838 1.83872 -223.22208 339.37232
8740.0000 -227.04820 -222.76688 4.28132 1.83339 -223.32755 332.08065
8745.0000 -226.88364 -222.60791 4.27573 1.83770 -223.24234 341.40717
8750.0000 -226.69825 -222.98747 3.71077 1.85147 -222.96977 352.35584
FREEZING PROCESS: loop number 36 T-loop= 317.00000000000000
main_MD> interactions number 36 at Temperature= 317.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09316 0.99099 1.87355
force_rgl> df(natom) -2.37193 -1.32037 -0.52320
8755.0000 -227.06277 -223.52602 3.53674 1.82926 -223.40936 333.00593
8760.0000 -227.92152 -224.04972 3.87179 1.80337 -223.92148 312.17797
8765.0000 -227.41981 -224.23093 3.18889 1.79100 -224.16631 302.61703
8770.0000 -227.92816 -224.67029 3.25787 1.77050 -224.57174 288.76095
8775.0000 -227.30685 -224.21697 3.08988 1.78360 -224.31261 298.30407
8780.0000 -227.44933 -224.13706 3.31227 1.78454 -224.29410 301.21219
8785.0000 -227.38834 -223.82357 3.56477 1.78730 -224.23950 304.50152
8790.0000 -227.83486 -224.32662 3.50824 1.78033 -224.37732 296.36404
8795.0000 -227.09212 -223.91032 3.18180 1.78877 -224.21038 303.18284
8800.0000 -227.43157 -223.65866 3.77291 1.79625 -224.06234 310.88565
8805.0000 -227.70149 -223.77254 3.92895 1.82115 -223.56971 330.72500
8810.0000 -226.97324 -223.09060 3.88264 1.84264 -223.14455 349.60118
8815.0000 -227.31031 -223.47672 3.83358 1.82044 -223.58381 330.39950
8820.0000 -227.58286 -223.71370 3.86916 1.81407 -223.70988 318.95640
8825.0000 -227.21924 -224.10450 3.11475 1.79820 -224.02386 307.04804
8830.0000 -227.74687 -224.68694 3.05993 1.77733 -224.43668 287.29647
8835.0000 -227.74464 -224.19623 3.54842 1.77595 -224.46408 290.13466
8840.0000 -227.62460 -223.98176 3.64284 1.81433 -223.70464 318.61874
8845.0000 -228.03131 -224.51283 3.51848 1.78644 -224.25644 295.71911
8850.0000 -228.11263 -224.90201 3.21062 1.77971 -224.38957 291.82308
8855.0000 -227.56657 -224.23715 3.32942 1.79176 -224.15126 302.13305
8860.0000 -227.12711 -223.93862 3.18849 1.79924 -224.00320 306.87296
8865.0000 -227.69632 -223.48220 4.21412 1.81411 -223.70905 319.32765
8870.0000 -227.38968 -224.05758 3.33209 1.81328 -223.72540 317.51678
8875.0000 -227.16183 -223.90447 3.25736 1.80481 -223.89310 311.46239
8880.0000 -227.84575 -223.82452 4.02123 1.80205 -223.94767 307.90888
8885.0000 -227.50288 -223.48994 4.01293 1.80549 -223.87961 314.85596
8890.0000 -227.41295 -223.49401 3.91894 1.83904 -223.21587 338.66871
8895.0000 -227.15306 -223.17519 3.97787 1.82500 -223.49356 332.16016
8900.0000 -227.44876 -223.69230 3.75646 1.82235 -223.54594 326.70934
8905.0000 -227.57553 -223.72013 3.85540 1.80595 -223.87051 314.21368
8910.0000 -226.81953 -223.56589 3.25364 1.83346 -223.32618 333.31361
8915.0000 -227.66399 -224.25649 3.40750 1.81972 -223.59803 323.40804
8920.0000 -227.13431 -223.49012 3.64419 1.81749 -223.64221 323.55023
8925.0000 -227.94388 -224.14960 3.79428 1.80912 -223.80774 319.39693
8930.0000 -227.19883 -223.85990 3.33894 1.80455 -223.89809 311.25716
8935.0000 -227.14011 -224.17243 2.96767 1.81687 -223.65440 320.36306
8940.0000 -228.10012 -224.82290 3.27722 1.76947 -224.59211 284.76463
8945.0000 -227.36957 -223.46183 3.90773 1.79344 -224.11795 300.53786
8950.0000 -226.92697 -223.53627 3.39070 1.83244 -223.34635 331.42119
8955.0000 -227.54330 -224.18223 3.36107 1.80800 -223.82985 313.93758
8960.0000 -227.29515 -223.47947 3.81567 1.80366 -223.91581 310.63614
8965.0000 -227.74024 -223.59253 4.14771 1.82178 -223.55719 337.34901
8970.0000 -226.91879 -223.29551 3.62328 1.83257 -223.34374 349.56349
8975.0000 -228.14755 -224.64177 3.50578 1.79121 -224.16216 314.75684
8980.0000 -227.35173 -223.97749 3.37424 1.78262 -224.33211 305.93858
8985.0000 -227.37828 -224.16831 3.20997 1.79588 -224.06965 318.47698
8990.0000 -228.09916 -224.23792 3.86124 1.78513 -224.28246 307.50320
8995.0000 -227.09564 -224.02882 3.06682 1.79080 -224.17017 311.54517
9000.0000 -227.82074 -224.14222 3.67852 1.80951 -223.80011 324.54973
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 35.3165808 [s].
main_MD> Deallocating global variables
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