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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_86/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_86.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 = 86 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 86 8600
main_MD> Size of nv and nvoiz: 86 8600
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 = 86
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.10435243798491638 -5.3634871115097703E-002 -0.13352951491040582 initial drift of cluster / NP1 for coalescence
init> 0.33629102839297537 0.35497957741958414 0.33316353557870781 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6974725442979264E-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) 1.21792 1.94856 1.51337
force_rgl> df(natom) 1.17130 2.30102 1.77620
preparo> THERMALIZATION PROCESS AT 1188.5542983273399
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -186.72866352007870 12.286491941531175 -199.01515546160988 7.2448614781555145E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1161.0000000000000
main_MD> interactions number 1 at Temperature= 1161.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.15596 6.36897 3.62091
force_rgl> df(natom) -1.69853 -2.26477 -1.93316
5.0000 -202.00963 -190.00377 12.00586 3.37771 -187.89054 1286.55950
10.0000 -202.82860 -190.65192 12.17667 3.25552 -190.27130 1193.13494
15.0000 -203.66697 -191.65143 12.01554 3.19649 -191.42145 1189.61945
20.0000 -204.44957 -192.30680 12.14276 3.19953 -191.36215 1170.91248
25.0000 -205.48374 -189.31805 16.16570 3.24294 -190.51646 1219.40961
30.0000 -202.49153 -189.31128 13.18026 3.31181 -189.17453 1240.34053
35.0000 -203.03011 -187.42758 15.60253 3.31925 -189.02965 1256.89718
40.0000 -203.39825 -189.06002 14.33823 3.36199 -188.19688 1241.45143
45.0000 -201.74736 -185.82701 15.92036 3.37694 -187.90557 1296.34846
50.0000 -203.12048 -190.09536 13.02512 3.34628 -188.50290 1271.66233
55.0000 -207.09355 -195.68810 11.40544 3.09265 -193.44461 1070.63947
60.0000 -205.67564 -193.52620 12.14944 3.03203 -194.62571 1017.80153
65.0000 -208.05711 -194.96689 13.09022 3.06426 -193.99772 1087.58768
70.0000 -202.53570 -188.98401 13.55169 3.13227 -192.67267 1119.20502
75.0000 -201.99504 -190.10799 11.88705 3.32001 -189.01479 1266.97607
80.0000 -204.44401 -190.63720 13.80681 3.20750 -191.20681 1162.03528
85.0000 -201.34385 -187.76437 13.57949 3.30039 -189.39704 1207.04251
90.0000 -201.46752 -188.51808 12.94944 3.42547 -186.96000 1283.59918
95.0000 -203.15297 -189.76989 13.38307 3.32122 -188.99126 1225.87944
100.0000 -205.58943 -192.75943 12.83000 3.26797 -190.02869 1239.36287
105.0000 -204.52833 -192.60803 11.92030 3.12423 -192.82931 1093.00173
110.0000 -206.46699 -195.72828 10.73870 3.12941 -192.72827 1103.66303
115.0000 -203.38054 -192.42714 10.95340 3.04223 -194.42684 1055.35297
120.0000 -204.56342 -192.49402 12.06940 3.15906 -192.15062 1132.00494
125.0000 -204.19504 -192.18593 12.00912 3.14722 -192.38133 1125.22835
130.0000 -201.06365 -187.90695 13.15670 3.19146 -191.51942 1159.57631
135.0000 -204.93797 -192.01572 12.92225 3.23036 -190.76150 1174.48637
140.0000 -203.33530 -190.57744 12.75786 3.15569 -192.21632 1131.46404
145.0000 -204.95582 -191.64629 13.30953 3.27985 -189.79723 1238.72600
150.0000 -201.64581 -190.26270 11.38311 3.18827 -191.58160 1177.66873
155.0000 -205.23378 -191.84515 13.38863 3.23040 -190.76068 1169.16497
160.0000 -203.80185 -190.29212 13.50973 3.19009 -191.54615 1165.76101
165.0000 -209.01088 -193.13075 15.88013 3.25157 -190.34826 1236.28906
170.0000 -205.22602 -192.52883 12.69719 3.14640 -192.39739 1142.05661
175.0000 -205.87313 -194.81428 11.05885 3.09301 -193.43748 1104.86128
180.0000 -206.83911 -194.03597 12.80314 3.04422 -194.38814 1084.53196
185.0000 -203.79508 -190.55252 13.24256 3.16657 -192.00427 1108.02865
190.0000 -204.83647 -191.72012 13.11635 3.25512 -190.27899 1172.43800
195.0000 -203.83539 -190.93352 12.90187 3.21963 -190.97046 1180.72336
200.0000 -204.63919 -191.65841 12.98077 3.19979 -191.35708 1141.63611
205.0000 -203.23553 -191.95004 11.28548 3.22576 -190.85115 1187.42605
210.0000 -203.82410 -189.64993 14.17417 3.21555 -191.04998 1158.34574
215.0000 -200.24515 -185.45023 14.79492 3.44642 -186.55196 1362.92012
220.0000 -203.39311 -189.77521 13.61790 3.44294 -186.61966 1341.95189
225.0000 -205.57067 -190.32317 15.24750 3.22007 -190.96201 1193.59245
230.0000 -204.35364 -192.31164 12.04200 3.21647 -191.03219 1193.49554
235.0000 -204.59124 -190.08657 14.50467 3.17573 -191.82591 1148.44952
240.0000 -203.21612 -188.65821 14.55791 3.28616 -189.67430 1214.10965
245.0000 -201.89321 -188.45172 13.44148 3.33117 -188.79734 1246.13213
250.0000 -202.25390 -188.75977 13.49413 3.35763 -188.28186 1278.01677
FREEZING PROCESS: loop number 2 T-loop= 1136.0000000000000
main_MD> interactions number 2 at Temperature= 1136.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.80352 2.49409 0.47289
force_rgl> df(natom) 2.42918 -0.26054 1.05468
255.0000 -203.96929 -190.02645 13.94284 3.28950 -189.60919 1218.85612
260.0000 -204.91602 -189.69927 15.21675 3.32397 -188.93768 1234.03779
265.0000 -202.61154 -189.04722 13.56432 3.29053 -189.58919 1179.27187
270.0000 -202.45956 -189.98462 12.47494 3.34398 -188.54770 1245.06015
275.0000 -204.96628 -191.68377 13.28251 3.23348 -190.70061 1175.15572
280.0000 -201.42215 -188.18395 13.23820 3.32724 -188.87401 1239.77350
285.0000 -202.78762 -190.73395 12.05367 3.25051 -190.36884 1181.66412
290.0000 -204.88530 -192.91206 11.97325 3.16040 -192.12449 1148.13772
295.0000 -206.83648 -196.18235 10.65413 3.01562 -194.94531 1030.53505
300.0000 -203.93449 -193.93256 10.00193 3.02737 -194.71645 1063.15334
305.0000 -206.46523 -192.63484 13.83039 3.10872 -193.13136 1102.39770
310.0000 -203.62744 -192.57492 11.05252 3.10896 -193.12678 1131.02516
315.0000 -204.15933 -192.32644 11.83290 3.22687 -190.82945 1167.37829
320.0000 -203.43302 -189.69241 13.74061 3.22992 -190.77004 1190.78075
325.0000 -201.12739 -186.81649 14.31090 3.28733 -189.65152 1232.74541
330.0000 -201.93581 -189.74936 12.18645 3.35100 -188.41104 1214.35154
335.0000 -205.43063 -191.70476 13.72587 3.25286 -190.32301 1169.80958
340.0000 -202.00085 -189.74543 12.25543 3.28173 -189.76064 1220.38717
345.0000 -202.49590 -189.84391 12.65200 3.30917 -189.22594 1220.11929
350.0000 -204.00428 -191.21470 12.78958 3.17929 -191.75649 1162.54930
355.0000 -204.28372 -192.32122 11.96250 3.18992 -191.54947 1157.91210
360.0000 -205.98635 -193.79033 12.19602 3.11080 -193.09101 1095.52129
365.0000 -204.81584 -192.92416 11.89168 3.09459 -193.40673 1092.59848
370.0000 -204.50464 -193.30950 11.19514 3.13266 -192.66507 1089.09605
375.0000 -205.42588 -192.19218 13.23371 3.20604 -191.23530 1177.04486
380.0000 -205.17802 -195.63692 9.54111 3.07411 -193.80571 1066.92281
385.0000 -204.59237 -194.33913 10.25324 3.04886 -194.29763 1071.43590
390.0000 -205.30456 -192.87451 12.43005 3.08653 -193.56379 1084.56982
395.0000 -204.68810 -193.51835 11.16975 3.08791 -193.53697 1086.22424
400.0000 -204.57573 -190.88425 13.69148 3.20359 -191.28314 1179.24530
405.0000 -207.33773 -194.61311 12.72462 3.20216 -191.31085 1156.55618
410.0000 -206.41116 -192.78924 13.62191 3.07256 -193.83588 1108.09493
415.0000 -207.48283 -195.51862 11.96421 3.08010 -193.68911 1102.77871
420.0000 -204.91934 -194.63753 10.28180 3.01893 -194.88082 1053.49621
425.0000 -204.98320 -193.26438 11.71882 3.07714 -193.74678 1071.71793
430.0000 -205.03096 -192.62654 12.40442 3.21144 -191.13002 1182.67021
435.0000 -205.89390 -193.91352 11.98038 3.10665 -193.17182 1078.70832
440.0000 -202.03056 -189.28310 12.74746 3.14703 -192.38510 1102.26320
445.0000 -206.20302 -193.78402 12.41900 3.14339 -192.45598 1125.77321
450.0000 -206.29194 -195.28765 11.00428 3.04923 -194.29046 1070.19013
455.0000 -204.80208 -192.61416 12.18792 3.07465 -193.79530 1067.23256
460.0000 -205.91796 -193.71557 12.20239 3.10209 -193.26068 1120.14257
465.0000 -205.23972 -190.21602 15.02370 3.15246 -192.27917 1158.31008
470.0000 -202.52259 -190.05034 12.47225 3.27243 -189.94175 1176.60123
475.0000 -205.57955 -192.82677 12.75278 3.24392 -190.49721 1200.07298
480.0000 -205.26753 -193.22828 12.03925 3.13408 -192.63735 1114.30095
485.0000 -201.42713 -188.26475 13.16238 3.17506 -191.83885 1150.89411
490.0000 -204.08139 -191.00136 13.08003 3.25291 -190.32208 1177.09275
495.0000 -206.22133 -192.77545 13.44588 3.15650 -192.20048 1124.01133
500.0000 -207.45702 -196.60188 10.85514 3.02237 -194.81379 1058.60157
FREEZING PROCESS: loop number 3 T-loop= 1111.0000000000000
main_MD> interactions number 3 at Temperature= 1111.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.08374 -2.56394 -5.46690
force_rgl> df(natom) -2.36815 0.44076 0.28728
505.0000 -206.68943 -195.73601 10.95343 2.95167 -196.19140 1013.82746
510.0000 -206.75794 -194.95598 11.80196 2.94492 -196.32275 1007.35386
515.0000 -203.07620 -192.16840 10.90780 3.08936 -193.50865 1087.77881
520.0000 -204.78240 -192.25935 12.52304 3.11768 -192.95695 1099.51834
525.0000 -206.36315 -192.08538 14.27778 3.13136 -192.69041 1112.58534
530.0000 -206.08370 -191.85059 14.23311 3.21363 -191.08735 1188.97114
535.0000 -203.41012 -191.54928 11.86083 3.17755 -191.79041 1174.94849
540.0000 -206.79311 -193.58522 13.20789 3.12229 -192.86706 1084.04666
545.0000 -206.91812 -195.40558 11.51254 3.10260 -193.25071 1072.54134
550.0000 -207.69308 -195.93638 11.75670 2.99593 -195.32899 1047.81414
555.0000 -206.51717 -195.29553 11.22164 3.01684 -194.92156 1057.82439
560.0000 -204.98711 -194.58808 10.39902 3.05918 -194.09663 1089.44611
565.0000 -206.37495 -193.54392 12.83103 3.03743 -194.52042 1076.64609
570.0000 -204.66125 -191.87067 12.79057 3.15882 -192.15526 1148.98199
575.0000 -203.07226 -191.19998 11.87228 3.21017 -191.15478 1179.44740
580.0000 -204.89135 -190.71216 14.17919 3.20193 -191.31534 1161.09480
585.0000 -204.65199 -191.28168 13.37031 3.30255 -189.35494 1230.18640
590.0000 -206.06058 -193.24043 12.82015 3.16067 -192.11931 1138.37017
595.0000 -203.78719 -191.62052 12.16668 3.16984 -191.94068 1145.07936
600.0000 -202.68012 -190.84934 11.83079 3.18201 -191.70357 1148.11472
605.0000 -203.70333 -190.71774 12.98560 3.23855 -190.60191 1202.34234
610.0000 -205.70400 -194.12374 11.58025 3.11994 -192.91283 1134.74267
615.0000 -205.06561 -192.78504 12.28058 3.04591 -194.35516 1084.24780
620.0000 -203.59476 -192.42954 11.16521 3.10856 -193.13461 1122.26238
625.0000 -203.63035 -191.78151 11.84884 3.17266 -191.88561 1126.47632
630.0000 -203.75490 -191.79138 11.96353 3.13094 -192.69859 1116.08760
635.0000 -203.99942 -191.44281 12.55661 3.14710 -192.38361 1131.45412
640.0000 -205.70176 -192.91810 12.78366 3.11879 -192.93516 1115.47871
645.0000 -203.71182 -190.29553 13.41629 3.19530 -191.44461 1166.43614
650.0000 -200.99039 -188.80159 12.18880 3.23881 -190.59680 1175.22734
655.0000 -204.12272 -191.11130 13.01142 3.34820 -188.46549 1258.15838
660.0000 -207.22171 -196.00711 11.21460 3.12972 -192.72224 1126.38307
665.0000 -207.04195 -193.15298 13.88897 3.06558 -193.97195 1095.32010
670.0000 -206.95517 -195.98442 10.97075 3.10376 -193.22808 1111.25397
675.0000 -206.30652 -195.50449 10.80203 3.02990 -194.66707 1056.80343
680.0000 -206.87465 -193.85565 13.01900 3.01572 -194.94343 1035.98938
685.0000 -208.41159 -194.35370 14.05788 3.03761 -194.51691 1074.46640
690.0000 -204.66302 -192.63606 12.02695 3.07486 -193.79109 1080.07243
695.0000 -207.98160 -196.76023 11.22136 2.99073 -195.43034 1046.72164
700.0000 -207.55224 -196.28279 11.26944 2.94116 -196.39600 1014.24734
705.0000 -206.74985 -195.34968 11.40017 3.00771 -195.09946 1075.00338
710.0000 -205.69464 -193.05555 12.63909 3.06377 -194.00727 1085.32877
715.0000 -204.46026 -190.47484 13.98542 3.14546 -192.41568 1144.78358
720.0000 -204.28064 -193.83222 10.44842 3.17430 -191.85377 1105.72212
725.0000 -206.19612 -194.05388 12.14224 3.06777 -193.92937 1040.66569
730.0000 -203.31127 -191.41144 11.89983 3.19619 -191.42731 1160.26995
735.0000 -205.35586 -192.17146 13.18439 3.21461 -191.06841 1163.41208
740.0000 -205.57525 -193.83298 11.74227 3.04645 -194.34466 1066.50690
745.0000 -205.91902 -193.48213 12.43689 3.13952 -192.53126 1153.94610
750.0000 -207.19385 -193.55197 13.64188 3.07335 -193.82064 1090.93898
FREEZING PROCESS: loop number 4 T-loop= 1086.0000000000000
main_MD> interactions number 4 at Temperature= 1086.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.98574 -1.60476 4.71749
force_rgl> df(natom) -0.67480 -0.89156 -0.88959
755.0000 -206.33201 -195.34440 10.98760 3.06268 -194.02840 1063.81833
760.0000 -206.62808 -194.38034 12.24775 3.00121 -195.22606 1004.38856
765.0000 -205.09903 -192.70820 12.39083 3.06913 -193.90279 1066.17887
770.0000 -207.09050 -195.18454 11.90595 3.07606 -193.76784 1082.25625
775.0000 -204.78713 -193.25960 11.52753 3.08490 -193.59553 1088.32884
780.0000 -206.46907 -195.39189 11.07718 3.05695 -194.14011 1071.57075
785.0000 -206.58521 -195.25928 11.32594 2.95947 -196.03929 975.12381
790.0000 -206.65984 -195.45832 11.20152 3.02481 -194.76637 1048.42426
795.0000 -205.87316 -193.53661 12.33654 2.94813 -196.26036 970.47045
800.0000 -204.19170 -192.61866 11.57304 3.12740 -192.76758 1107.95490
805.0000 -206.24375 -195.22552 11.01823 3.08987 -193.49873 1068.84789
810.0000 -208.02979 -198.71997 9.30982 2.87242 -197.73533 927.53264
815.0000 -209.66376 -197.82521 11.83855 2.89759 -197.24499 966.18121
820.0000 -205.39747 -194.33290 11.06457 2.89696 -197.25716 986.20548
825.0000 -207.04329 -195.21770 11.82558 3.03196 -194.62706 1082.07886
830.0000 -207.64851 -194.55859 13.08992 2.99351 -195.37611 1030.29268
835.0000 -207.86306 -194.48291 13.38015 3.08514 -193.59088 1127.08946
840.0000 -206.93707 -194.41188 12.52519 2.99140 -195.41733 1029.01584
845.0000 -207.79610 -195.66864 12.12746 2.96571 -195.91781 1006.20115
850.0000 -207.49756 -197.05540 10.44215 2.93238 -196.56718 995.21649
855.0000 -205.29604 -191.68837 13.60767 3.11355 -193.03734 1119.82245
860.0000 -203.23236 -189.61340 13.61897 3.19331 -191.48331 1172.83695
865.0000 -203.11543 -190.31616 12.79927 3.25275 -190.32515 1176.04882
870.0000 -203.70079 -192.46426 11.23654 3.20573 -191.24136 1131.29040
875.0000 -204.42733 -193.36502 11.06231 3.10712 -193.16260 1064.71692
880.0000 -206.22211 -194.18443 12.03768 3.09042 -193.48808 1085.81769
885.0000 -207.50305 -196.67401 10.82904 2.99305 -195.38518 1043.90170
890.0000 -207.05362 -196.32289 10.73074 2.94402 -196.34038 997.87618
895.0000 -203.44498 -189.94221 13.50277 3.12221 -192.86869 1107.16900
900.0000 -205.36279 -191.97022 13.39258 3.28956 -189.60806 1222.46881
905.0000 -204.10779 -192.54562 11.56217 3.13128 -192.69186 1108.76119
910.0000 -207.40587 -193.10140 14.30448 3.12493 -192.81567 1122.60812
915.0000 -205.87529 -193.02449 12.85080 3.14478 -192.42881 1123.24928
920.0000 -207.06048 -194.55384 12.50664 3.04964 -194.28246 1079.43724
925.0000 -204.28328 -193.78216 10.50112 3.05706 -194.13800 1116.65366
930.0000 -206.23994 -193.72873 12.51120 3.07576 -193.77353 1057.59138
935.0000 -206.67537 -192.90500 13.77038 3.13235 -192.67097 1123.97270
940.0000 -206.63573 -195.13607 11.49966 3.08256 -193.64121 1083.82899
945.0000 -204.79299 -192.93605 11.85695 2.98092 -195.62143 1044.21263
950.0000 -204.45936 -192.42763 12.03173 3.13243 -192.66944 1107.34431
955.0000 -204.66118 -192.32688 12.33430 3.21612 -191.03894 1173.93482
960.0000 -204.28803 -192.98786 11.30016 3.13320 -192.65441 1109.74193
965.0000 -206.82205 -194.81259 12.00946 3.16368 -192.06067 1138.41263
970.0000 -206.56487 -194.13755 12.42732 3.03408 -194.58577 1078.63262
975.0000 -205.74124 -193.82995 11.91128 3.00281 -195.19500 1057.46038
980.0000 -205.76159 -194.40953 11.35205 3.02489 -194.76469 1058.13025
985.0000 -206.20768 -195.33455 10.87313 3.02304 -194.80079 1055.34083
990.0000 -204.24289 -189.98861 14.25428 3.13794 -192.56212 1124.26708
995.0000 -205.13830 -192.10783 13.03047 3.25665 -190.24919 1201.75299
1000.0000 -206.99774 -192.52696 14.47078 3.12351 -192.84335 1123.90644
FREEZING PROCESS: loop number 5 T-loop= 1061.0000000000000
main_MD> interactions number 5 at Temperature= 1061.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.49654 0.21555 -3.42479
force_rgl> df(natom) 0.54062 -1.98019 0.13561
1005.0000 -204.70245 -192.49372 12.20873 3.14681 -192.38939 1128.17465
1010.0000 -205.79937 -192.93404 12.86533 3.18022 -191.73839 1159.21755
1015.0000 -205.52224 -193.50325 12.01898 3.07812 -193.72758 1087.15248
1020.0000 -206.01999 -191.68095 14.33904 3.10441 -193.21541 1100.34968
1025.0000 -204.99693 -191.65457 13.34236 3.20091 -191.33518 1161.77066
1030.0000 -207.62798 -193.33117 14.29682 3.08385 -193.61604 1110.38349
1035.0000 -206.41504 -194.85151 11.56353 3.06302 -194.02184 1083.68682
1040.0000 -205.73128 -194.89365 10.83763 3.02706 -194.72246 1037.02528
1045.0000 -204.10755 -192.54663 11.56093 3.05819 -194.11587 1059.75664
1050.0000 -205.76890 -193.66775 12.10115 3.05625 -194.15371 1080.81913
1055.0000 -205.49002 -195.14848 10.34154 3.05217 -194.23329 1071.84956
1060.0000 -206.42535 -194.13508 12.29028 3.02188 -194.82343 1043.70370
1065.0000 -205.40861 -194.09511 11.31350 3.00495 -195.15317 1048.39472
1070.0000 -204.92011 -192.92257 11.99754 3.06254 -194.03109 1068.73764
1075.0000 -206.42012 -193.65530 12.76482 3.09454 -193.40766 1098.28728
1080.0000 -205.66797 -194.51078 11.15719 3.06261 -194.02977 1073.64568
1085.0000 -205.84640 -194.44271 11.40370 3.06547 -193.97410 1050.36012
1090.0000 -206.71028 -196.68094 10.02934 2.92385 -196.73328 971.54143
1095.0000 -204.79132 -193.62824 11.16309 2.99458 -195.35530 1020.17060
1100.0000 -204.96366 -194.93944 10.02422 3.07816 -193.72689 1056.50035
1105.0000 -207.37478 -195.37110 12.00368 2.99313 -195.38356 1059.84900
1110.0000 -205.97715 -195.18199 10.79516 3.00949 -195.06476 1049.94125
1115.0000 -206.17691 -194.13530 12.04161 3.04172 -194.43676 1069.19189
1120.0000 -206.79907 -194.59099 12.20808 3.07039 -193.87826 1078.78156
1125.0000 -203.73630 -191.24366 12.49265 3.05922 -194.09596 1073.92282
1130.0000 -206.32264 -193.61302 12.70962 3.13628 -192.59446 1123.95833
1135.0000 -204.65362 -193.82043 10.83319 3.12198 -192.87310 1125.02172
1140.0000 -205.13287 -193.78184 11.35103 3.07902 -193.71014 1105.31488
1145.0000 -204.74797 -194.38695 10.36103 3.03075 -194.65063 1064.59808
1150.0000 -204.77069 -193.07158 11.69910 3.08860 -193.52344 1092.32061
1155.0000 -207.84789 -195.54778 12.30011 3.01238 -195.00852 1028.72066
1160.0000 -206.20490 -194.88279 11.32211 3.07148 -193.85708 1085.67027
1165.0000 -205.20317 -194.32652 10.87665 3.04348 -194.40257 1074.23592
1170.0000 -206.97338 -195.37362 11.59977 3.03916 -194.48661 1067.15159
1175.0000 -206.87226 -196.70526 10.16700 2.97843 -195.66987 1017.65696
1180.0000 -205.71739 -194.45722 11.26017 3.01998 -194.86041 1056.84229
1185.0000 -206.28517 -195.14496 11.14021 2.97895 -195.65972 1013.15231
1190.0000 -203.91556 -191.38223 12.53333 3.05209 -194.23473 1079.70854
1195.0000 -204.37303 -193.33629 11.03674 3.07589 -193.77109 1067.20238
1200.0000 -207.84953 -195.89298 11.95655 3.01167 -195.02236 1043.69417
1205.0000 -206.88229 -196.01852 10.86377 2.92275 -196.75479 1010.91298
1210.0000 -206.42555 -194.50035 11.92519 3.00347 -195.18207 1049.14375
1215.0000 -207.35904 -196.59976 10.75929 2.97525 -195.73191 1018.39456
1220.0000 -208.52024 -198.85098 9.66926 2.89793 -197.23828 978.14226
1225.0000 -207.53914 -195.15463 12.38451 2.88516 -197.48723 988.72412
1230.0000 -205.56134 -194.09865 11.46269 3.07157 -193.85530 1061.46907
1235.0000 -205.74541 -194.21540 11.53001 3.05005 -194.27461 1058.60069
1240.0000 -208.90389 -195.37776 13.52613 3.01124 -195.03072 1077.06860
1245.0000 -206.29211 -194.70319 11.58892 3.01461 -194.96504 1024.95465
1250.0000 -205.58026 -194.26399 11.31627 3.08105 -193.67051 1073.97288
FREEZING PROCESS: loop number 6 T-loop= 1036.0000000000000
main_MD> interactions number 6 at Temperature= 1036.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03356 1.74094 2.14316
force_rgl> df(natom) -0.52870 -1.44962 -3.75729
1255.0000 -203.70776 -191.71561 11.99215 3.07098 -193.86673 1035.69317
1260.0000 -205.57538 -193.16138 12.41400 3.16091 -192.11466 1108.27731
1265.0000 -206.45128 -196.73032 9.72096 2.99378 -195.37086 1034.40029
1270.0000 -208.38485 -196.33919 12.04566 2.88745 -197.44262 975.87755
1275.0000 -206.71237 -193.82029 12.89207 3.01960 -194.86775 1072.37796
1280.0000 -203.97817 -191.78829 12.18988 3.07264 -193.83450 1095.27426
1285.0000 -206.61032 -193.50368 13.10664 3.09264 -193.44464 1109.38038
1290.0000 -205.21296 -193.22693 11.98603 3.07407 -193.80657 1076.34406
1295.0000 -205.88937 -193.12887 12.76050 3.07390 -193.80992 1101.08731
1300.0000 -206.03735 -194.46874 11.56862 3.05076 -194.26062 1067.90045
1305.0000 -208.43810 -198.70603 9.73207 2.96818 -195.86972 1038.66741
1310.0000 -207.59723 -195.93112 11.66611 2.85954 -197.98634 927.22475
1315.0000 -207.58678 -194.73539 12.85140 2.94740 -196.27453 1013.33786
1320.0000 -207.25758 -195.39821 11.85936 2.99918 -195.26570 1051.55603
1325.0000 -207.44977 -195.72591 11.72386 2.99083 -195.42829 1036.08673
1330.0000 -204.99792 -194.32862 10.66929 3.00635 -195.12596 1012.33706
1335.0000 -204.82060 -194.26547 10.55513 3.00227 -195.20540 1001.78007
1340.0000 -206.44657 -193.96667 12.47991 3.04495 -194.37393 1059.76606
1345.0000 -206.44631 -193.36449 13.08183 3.07596 -193.76964 1106.87831
1350.0000 -204.44906 -194.52619 9.92287 3.05184 -194.23968 1077.63585
1355.0000 -206.29407 -195.35508 10.93899 3.04037 -194.46321 1043.60422
1360.0000 -207.37292 -194.89829 12.47463 2.98334 -195.57425 1037.04122
1365.0000 -206.05285 -193.52175 12.53110 3.02839 -194.69659 1039.61877
1370.0000 -206.50187 -194.85266 11.64921 3.00185 -195.21363 1040.26452
1375.0000 -209.07966 -198.17161 10.90805 2.91293 -196.94610 992.88163
1380.0000 -206.69563 -195.31713 11.37850 2.89929 -197.21190 999.36492
1385.0000 -205.15651 -193.55537 11.60115 3.01064 -195.04234 1061.39605
1390.0000 -206.65885 -192.71574 13.94311 3.13160 -192.68556 1103.82583
1395.0000 -206.04060 -196.09918 9.94142 3.02128 -194.83510 1068.57775
1400.0000 -209.48864 -197.30376 12.18488 3.01384 -194.98002 1044.00316
1405.0000 -206.35806 -197.00247 9.35558 2.90463 -197.10776 980.48813
1410.0000 -208.13113 -197.39549 10.73564 2.93751 -196.46715 995.13996
1415.0000 -207.24213 -195.40554 11.83659 2.91793 -196.84868 1001.43831
1420.0000 -207.01148 -196.14908 10.86240 2.96313 -195.96797 1000.06069
1425.0000 -206.50673 -195.57409 10.93264 2.98904 -195.46316 1017.72562
1430.0000 -204.69894 -193.27376 11.42517 3.10250 -193.25254 1097.80230
1435.0000 -210.14698 -198.53339 11.61360 2.98508 -195.54031 1010.71357
1440.0000 -208.61994 -197.00441 11.61554 2.87953 -197.59691 961.76124
1445.0000 -208.34153 -196.52145 11.82008 2.94975 -196.22864 1016.04377
1450.0000 -206.84292 -196.03969 10.80323 2.91747 -196.85773 977.23426
1455.0000 -206.08286 -196.43873 9.64413 2.98898 -195.46433 1007.51828
1460.0000 -208.74927 -196.99915 11.75012 2.97492 -195.73838 1035.91315
1465.0000 -208.18780 -198.21716 9.97064 2.89560 -197.28374 991.07177
1470.0000 -205.93343 -193.78993 12.14350 2.93770 -196.46351 994.12567
1475.0000 -207.35258 -197.84762 9.50497 2.92726 -196.66687 998.91238
1480.0000 -209.11756 -198.17916 10.93841 2.87562 -197.67296 949.34405
1485.0000 -209.50429 -198.26311 11.24118 2.83233 -198.51638 919.35209
1490.0000 -208.51579 -195.29909 13.21670 2.97851 -195.66835 1034.26133
1495.0000 -207.75584 -196.29481 11.46104 3.01804 -194.89813 1065.36677
1500.0000 -206.31872 -193.66418 12.65454 2.99638 -195.32026 1039.49227
FREEZING PROCESS: loop number 7 T-loop= 1011.0000000000000
main_MD> interactions number 7 at Temperature= 1011.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33904 -4.67600 -0.00708
force_rgl> df(natom) -4.82467 -1.05677 3.60268
1505.0000 -206.59198 -194.43822 12.15376 3.03457 -194.57605 1040.97722
1510.0000 -205.31163 -192.28234 13.02928 3.05979 -194.08483 1078.81937
1515.0000 -205.98025 -193.11343 12.86681 3.10732 -193.15875 1119.65506
1520.0000 -203.31843 -191.41605 11.90238 3.14827 -192.36084 1126.66616
1525.0000 -206.87299 -194.15925 12.71374 3.13778 -192.56519 1141.69218
1530.0000 -205.05812 -193.78131 11.27681 3.07142 -193.85814 1098.70754
1535.0000 -204.78892 -193.37631 11.41262 3.07432 -193.80158 1063.96991
1540.0000 -207.95072 -197.37103 10.57969 2.96514 -195.92887 1024.55235
1545.0000 -208.87007 -197.25043 11.61964 2.92638 -196.68405 990.17381
1550.0000 -206.43793 -195.78472 10.65320 2.96115 -196.00667 1008.52020
1555.0000 -205.02048 -194.41870 10.60178 3.00096 -195.23104 1031.60845
1560.0000 -204.24204 -193.72154 10.52050 3.08876 -193.52035 1054.94899
1565.0000 -205.68125 -194.35928 11.32196 3.05245 -194.22779 1059.53687
1570.0000 -206.45953 -195.65416 10.80536 3.02955 -194.67391 1038.73044
1575.0000 -205.88188 -194.63966 11.24222 2.99738 -195.30078 1028.66110
1580.0000 -208.63965 -197.55426 11.08539 2.87043 -197.77410 933.44416
1585.0000 -206.60481 -195.20309 11.40171 2.88556 -197.47938 950.28162
1590.0000 -208.69366 -196.71785 11.97581 2.98515 -195.53893 1019.98739
1595.0000 -207.76511 -196.84200 10.92312 2.91816 -196.84418 977.25896
1600.0000 -208.95782 -198.60890 10.34892 2.87834 -197.62013 967.54220
1605.0000 -207.16812 -196.38270 10.78543 2.91210 -196.96219 980.55290
1610.0000 -207.16384 -194.36185 12.80199 2.95164 -196.19190 1015.52235
1615.0000 -207.85807 -195.84470 12.01337 3.08070 -193.67744 1100.58444
1620.0000 -208.93846 -197.56479 11.37367 2.92962 -196.62092 990.32174
1625.0000 -207.70155 -196.88948 10.81207 2.92083 -196.79223 982.35229
1630.0000 -207.48533 -196.22154 11.26379 2.95046 -196.21488 1013.25544
1635.0000 -207.21674 -196.92457 10.29217 2.90422 -197.11572 980.88536
1640.0000 -207.61863 -195.76339 11.85524 2.98285 -195.58384 1018.03921
1645.0000 -207.45913 -196.02717 11.43196 2.97208 -195.79357 1008.24108
1650.0000 -206.29271 -193.93340 12.35931 3.06948 -193.89589 1079.88482
1655.0000 -205.64478 -194.54388 11.10091 3.09424 -193.41352 1099.57731
1660.0000 -208.60044 -196.55279 12.04765 2.98857 -195.47244 1008.11127
1665.0000 -208.18159 -197.04003 11.14156 2.91442 -196.91709 972.69048
1670.0000 -208.24111 -197.80025 10.44085 2.92285 -196.75284 996.54238
1675.0000 -208.15320 -197.26011 10.89308 2.93524 -196.51152 967.36756
1680.0000 -206.07908 -196.00217 10.07691 2.99923 -195.26470 1038.60770
1685.0000 -204.93084 -193.03292 11.89792 3.06842 -193.91663 1090.27317
1690.0000 -207.62621 -197.07240 10.55382 2.98412 -195.55914 1023.07636
1695.0000 -207.09789 -196.73215 10.36574 2.86531 -197.87387 966.39341
1700.0000 -207.51029 -194.99621 12.51408 2.99013 -195.44191 1027.19180
1705.0000 -206.56595 -195.28112 11.28483 3.02621 -194.73899 1071.56819
1710.0000 -208.90515 -197.81752 11.08764 2.90131 -197.17255 957.35277
1715.0000 -207.44351 -195.66991 11.77360 2.90975 -197.00802 965.55973
1720.0000 -208.82844 -199.43195 9.39649 2.87974 -197.59275 947.27602
1725.0000 -209.19352 -197.68598 11.50754 2.83004 -198.56104 928.91572
1730.0000 -205.41408 -195.14641 10.26768 2.95676 -196.09207 1003.78840
1735.0000 -208.12309 -196.09212 12.03098 3.00364 -195.17882 1070.10308
1740.0000 -205.31940 -192.62180 12.69760 3.06982 -193.88927 1076.02978
1745.0000 -207.32377 -195.85755 11.46622 3.13174 -192.68285 1105.41665
1750.0000 -207.07689 -194.87798 12.19891 3.01701 -194.91835 1080.02937
FREEZING PROCESS: loop number 8 T-loop= 986.00000000000000
main_MD> interactions number 8 at Temperature= 986.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.83107 2.10126 0.47711
force_rgl> df(natom) -0.00654 2.25951 -3.68152
1755.0000 -207.04196 -196.73585 10.30611 3.01158 -195.02399 1060.85519
1760.0000 -207.81851 -196.92144 10.89707 2.92327 -196.74468 978.84620
1765.0000 -209.33974 -197.79257 11.54716 2.80944 -198.96246 919.71584
1770.0000 -207.38446 -196.25675 11.12771 2.94389 -196.34287 1006.25308
1775.0000 -208.98449 -197.62268 11.36181 2.93948 -196.42881 1007.46758
1780.0000 -205.99266 -196.05104 9.94162 2.88792 -197.43331 958.36809
1785.0000 -207.19114 -195.51561 11.67554 3.01687 -194.92095 1026.92436
1790.0000 -209.73688 -198.45725 11.27963 2.85728 -198.03033 952.31085
1795.0000 -208.85221 -199.29725 9.55496 2.81236 -198.90549 916.05384
1800.0000 -209.54590 -198.08969 11.45621 2.82594 -198.64099 921.93561
1805.0000 -209.43946 -199.17722 10.26225 2.83654 -198.43448 933.81431
1810.0000 -209.09239 -198.74333 10.34906 2.83062 -198.54976 951.13336
1815.0000 -209.68177 -196.35911 13.32266 2.90208 -197.15746 993.75248
1820.0000 -208.25698 -198.28766 9.96932 2.83429 -198.47825 947.63241
1825.0000 -207.90305 -196.42821 11.47484 2.88093 -197.56964 977.61431
1830.0000 -209.01784 -198.44463 10.57320 2.95940 -196.04069 1005.20664
1835.0000 -207.68584 -197.57616 10.10968 2.87813 -197.62410 956.82939
1840.0000 -209.80014 -197.97982 11.82031 2.84996 -198.17303 942.30993
1845.0000 -206.15397 -195.91796 10.23601 2.86010 -197.97548 945.26319
1850.0000 -208.95798 -198.09884 10.85915 2.92852 -196.64233 981.75898
1855.0000 -208.28711 -198.00699 10.28012 2.85535 -198.06789 921.24715
1860.0000 -212.92529 -202.91692 10.00838 2.70174 -201.06086 851.21477
1865.0000 -211.62076 -201.65496 9.96580 2.60902 -202.86726 823.14755
1870.0000 -209.24706 -197.47857 11.76849 2.77003 -199.73027 921.58352
1875.0000 -208.44789 -198.89309 9.55480 2.78900 -199.36060 912.91133
1880.0000 -207.95536 -198.18263 9.77273 2.82520 -198.65533 946.82200
1885.0000 -207.31561 -194.84967 12.46593 2.93974 -196.42384 983.02043
1890.0000 -206.72900 -194.04994 12.67906 3.07807 -193.72857 1079.51351
1895.0000 -206.00263 -194.01386 11.98877 3.11549 -192.99961 1073.41306
1900.0000 -208.88149 -196.46707 12.41442 3.00847 -195.08467 1063.44136
1905.0000 -206.75195 -196.19258 10.55937 3.00484 -195.15545 1069.89564
1910.0000 -209.27592 -198.18587 11.09006 2.86430 -197.89364 920.87614
1915.0000 -208.38129 -198.46598 9.91532 2.86357 -197.90777 957.17368
1920.0000 -207.34291 -196.85818 10.48474 2.85726 -198.03082 947.95814
1925.0000 -206.91816 -196.45533 10.46283 2.97483 -195.74007 998.20725
1930.0000 -207.88327 -195.88495 11.99832 2.92766 -196.65911 995.77040
1935.0000 -206.65331 -196.49838 10.15493 2.97038 -195.82682 1018.09013
1940.0000 -206.03776 -194.54696 11.49080 2.98008 -195.63785 1018.61520
1945.0000 -206.54914 -196.32813 10.22102 2.99599 -195.32789 1023.33477
1950.0000 -207.27973 -195.66411 11.61561 2.97853 -195.66803 1011.29349
1955.0000 -208.45736 -198.20830 10.24906 2.95024 -196.21913 1011.49657
1960.0000 -209.80490 -199.30153 10.50337 2.83711 -198.42325 960.29243
1965.0000 -210.64105 -200.66668 9.97437 2.78618 -199.41557 873.27927
1970.0000 -206.64115 -196.63452 10.00663 2.87877 -197.61165 961.95266
1975.0000 -208.17702 -195.16726 13.00977 2.92730 -196.66616 1010.26286
1980.0000 -207.92813 -197.75056 10.17757 2.91712 -196.86454 975.60971
1985.0000 -211.37147 -199.47817 11.89330 2.84355 -198.29788 907.15758
1990.0000 -208.89373 -197.93065 10.96308 2.78086 -199.51933 928.54594
1995.0000 -208.31061 -197.41130 10.89931 2.89434 -197.30833 994.36174
2000.0000 -206.86173 -195.72556 11.13618 2.91653 -196.87587 984.51038
FREEZING PROCESS: loop number 9 T-loop= 961.00000000000000
main_MD> interactions number 9 at Temperature= 961.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65158 -1.32420 2.13633
force_rgl> df(natom) 2.11096 -0.88226 5.16559
2005.0000 -210.18263 -198.17461 12.00802 2.89976 -197.20266 949.85736
2010.0000 -206.55000 -196.29934 10.25067 2.89779 -197.24116 956.95946
2015.0000 -209.26301 -196.65275 12.61027 2.91665 -196.87361 980.51348
2020.0000 -208.86750 -198.64905 10.21845 2.86896 -197.80287 935.76217
2025.0000 -209.17013 -199.19559 9.97454 2.77672 -199.59995 876.60771
2030.0000 -210.55493 -198.51633 12.03860 2.80485 -199.05196 920.76613
2035.0000 -209.05673 -198.58076 10.47598 2.83495 -198.46533 965.40640
2040.0000 -208.65625 -198.14135 10.51491 2.82842 -198.59270 923.30326
2045.0000 -209.30736 -198.35669 10.95067 2.83001 -198.56175 926.43134
2050.0000 -210.25555 -199.13980 11.11574 2.82006 -198.75545 930.88443
2055.0000 -209.95889 -200.43865 9.52023 2.74142 -200.28766 879.72191
2060.0000 -208.74910 -198.29677 10.45233 2.79004 -199.34046 885.54378
2065.0000 -207.83091 -196.24158 11.58933 2.84252 -198.31785 941.66235
2070.0000 -208.18781 -197.52200 10.66581 2.95912 -196.04622 1013.54698
2075.0000 -206.99153 -194.69705 12.29449 2.91510 -196.90382 966.97547
2080.0000 -208.83048 -199.15678 9.67370 2.88581 -197.47444 971.37345
2085.0000 -207.60074 -197.08061 10.52013 2.88733 -197.44482 972.49671
2090.0000 -205.17704 -196.05282 9.12422 2.90594 -197.08235 987.68877
2095.0000 -209.08820 -196.60688 12.48132 2.91942 -196.81975 993.35632
2100.0000 -210.06862 -198.85179 11.21683 2.84084 -198.35066 938.06367
2105.0000 -210.62949 -199.10783 11.52166 2.75635 -199.99678 893.36762
2110.0000 -209.41805 -198.23062 11.18743 2.82769 -198.60693 880.72020
2115.0000 -208.27827 -199.96296 8.31531 2.75733 -199.97776 900.26635
2120.0000 -208.44345 -198.38440 10.05904 2.81790 -198.79762 933.79884
2125.0000 -205.92526 -195.59969 10.32558 2.97369 -195.76229 1018.76178
2130.0000 -207.80367 -198.03110 9.77257 2.92500 -196.71101 1017.07813
2135.0000 -207.53499 -196.10535 11.42963 2.95376 -196.15065 1011.77544
2140.0000 -207.06710 -197.45713 9.60997 2.90192 -197.16067 982.43392
2145.0000 -208.27117 -198.07210 10.19907 2.90700 -197.06170 959.08007
2150.0000 -208.16350 -197.54607 10.61742 2.88144 -197.55972 987.59538
2155.0000 -208.26673 -196.66606 11.60067 2.90187 -197.16168 985.96911
2160.0000 -208.50567 -196.92099 11.58468 2.86215 -197.93545 938.44325
2165.0000 -207.11722 -195.45703 11.66019 2.96459 -195.93968 1026.55631
2170.0000 -206.74675 -197.09775 9.64900 2.94029 -196.41310 1008.98049
2175.0000 -207.69692 -198.09333 9.60359 2.90923 -197.01818 995.76658
2180.0000 -210.21988 -199.34960 10.87028 2.80791 -198.99222 935.17015
2185.0000 -208.47490 -198.88654 9.58837 2.80471 -199.05468 919.39024
2190.0000 -208.39739 -197.90998 10.48741 2.86251 -197.92840 933.75886
2195.0000 -208.62866 -197.83480 10.79386 2.89653 -197.26562 947.00905
2200.0000 -208.62742 -197.71686 10.91057 2.86307 -197.91755 958.78913
2205.0000 -207.19572 -197.19780 9.99792 2.86756 -197.82997 944.62348
2210.0000 -208.76137 -198.11536 10.64602 2.87159 -197.75162 943.89683
2215.0000 -206.45541 -196.64910 9.80631 2.94626 -196.29678 990.59831
2220.0000 -206.06084 -194.95382 11.10702 2.99561 -195.33523 994.03231
2225.0000 -208.35793 -197.63402 10.72391 2.96335 -195.96375 1022.04751
2230.0000 -207.15584 -196.68697 10.46887 2.88656 -197.45984 950.87050
2235.0000 -207.97173 -196.05529 11.91643 2.95266 -196.17199 1017.93312
2240.0000 -209.17063 -198.00072 11.16991 2.91567 -196.89280 968.33021
2245.0000 -207.96269 -196.73514 11.22755 2.92766 -196.65902 987.44958
2250.0000 -208.34842 -197.48055 10.86787 2.87645 -197.65685 954.80007
FREEZING PROCESS: loop number 10 T-loop= 936.00000000000000
main_MD> interactions number 10 at Temperature= 936.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14614 -1.02002 0.05245
force_rgl> df(natom) 1.92336 -1.48857 0.60973
2255.0000 -209.69394 -199.07412 10.61982 2.82859 -198.58933 936.33807
2260.0000 -210.95479 -200.96637 9.98842 2.76885 -199.75324 871.30137
2265.0000 -207.26889 -196.44781 10.82108 2.88265 -197.53614 958.97086
2270.0000 -206.07588 -192.06813 14.00775 3.03803 -194.50881 1073.97518
2275.0000 -204.68540 -194.98164 9.70376 3.05416 -194.19443 1064.77023
2280.0000 -205.25743 -195.34763 9.90980 3.00312 -195.18895 1034.02510
2285.0000 -208.39623 -195.76937 12.62686 3.01460 -194.96520 1030.94964
2290.0000 -209.47965 -199.41377 10.06588 2.85593 -198.05663 929.47285
2295.0000 -208.87366 -199.38018 9.49349 2.79469 -199.24986 920.66190
2300.0000 -207.84793 -196.80276 11.04518 2.86788 -197.82376 965.46287
2305.0000 -208.03116 -197.53660 10.49457 2.94480 -196.32526 1000.11980
2310.0000 -208.36424 -197.05697 11.30726 2.88397 -197.51036 985.15013
2315.0000 -211.07248 -199.99811 11.07437 2.80485 -199.05191 936.67471
2320.0000 -210.66097 -200.16738 10.49359 2.76565 -199.81562 890.74671
2325.0000 -208.25692 -197.60455 10.65237 2.83616 -198.44183 914.04030
2330.0000 -208.72533 -198.69012 10.03520 2.85490 -198.07673 941.85267
2335.0000 -209.17956 -198.98969 10.18988 2.78926 -199.35568 903.45641
2340.0000 -210.10005 -200.64137 9.45868 2.76963 -199.73799 903.81573
2345.0000 -209.37985 -198.50347 10.87638 2.79581 -199.22791 932.62836
2350.0000 -210.39682 -199.75795 10.63887 2.82122 -198.73299 934.16280
2355.0000 -207.80651 -198.33823 9.46828 2.80784 -198.99366 899.28856
2360.0000 -208.88325 -198.30427 10.57898 2.82357 -198.68716 927.21944
2365.0000 -206.97516 -197.24655 9.72861 2.84530 -198.26369 952.70134
2370.0000 -207.54759 -195.92641 11.62118 2.95444 -196.13728 990.40945
2375.0000 -208.58769 -198.53242 10.05527 2.89249 -197.34433 979.68160
2380.0000 -210.48842 -200.69215 9.79626 2.74698 -200.17933 879.78384
2385.0000 -209.33169 -199.58005 9.75165 2.69596 -201.17338 843.59494
2390.0000 -208.67061 -198.00125 10.66935 2.76467 -199.83481 906.63537
2395.0000 -209.33852 -199.98055 9.35796 2.81237 -198.90533 923.32692
2400.0000 -206.93333 -196.87613 10.05721 2.82213 -198.71517 930.37463
2405.0000 -207.31140 -195.12130 12.19011 2.92234 -196.76269 999.97032
2410.0000 -209.95696 -198.69270 11.26426 2.91694 -196.86807 979.62498
2415.0000 -209.26261 -198.85260 10.41001 2.83997 -198.36771 928.42127
2420.0000 -209.99267 -198.14343 11.84924 2.88967 -197.39922 968.60500
2425.0000 -210.51539 -199.27347 11.24192 2.84656 -198.23929 939.60447
2430.0000 -207.91633 -197.07930 10.83703 2.85000 -198.17212 942.37321
2435.0000 -209.21951 -198.12838 11.09112 2.89191 -197.35570 975.35700
2440.0000 -209.07162 -198.41852 10.65310 2.79796 -199.18610 894.89272
2445.0000 -207.28934 -197.62158 9.66776 2.86598 -197.86091 952.52851
2450.0000 -208.94639 -199.54599 9.40040 2.79913 -199.16334 930.10274
2455.0000 -208.06462 -196.87310 11.19152 2.85479 -198.07891 948.34943
2460.0000 -206.52751 -196.05577 10.47174 2.89277 -197.33896 954.77009
2465.0000 -210.51979 -198.00748 12.51231 2.88825 -197.42700 962.34062
2470.0000 -209.59773 -198.87601 10.72172 2.83657 -198.43389 930.77314
2475.0000 -207.88437 -197.36908 10.51529 2.88480 -197.49424 968.28593
2480.0000 -208.79517 -196.41228 12.38288 2.90163 -197.16628 969.68731
2485.0000 -205.81632 -196.20089 9.61543 2.90328 -197.13403 969.11962
2490.0000 -207.28334 -195.90748 11.37586 2.94759 -196.27084 996.90187
2495.0000 -206.59024 -196.44601 10.14422 2.98340 -195.57311 1037.28057
2500.0000 -209.21517 -199.69203 9.52314 2.85262 -198.12122 920.57601
FREEZING PROCESS: loop number 11 T-loop= 911.00000000000000
main_MD> interactions number 11 at Temperature= 911.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56221 -1.36006 1.27797
force_rgl> df(natom) -0.79451 1.79184 4.35791
2505.0000 -210.38882 -199.63705 10.75177 2.74314 -200.25418 879.08923
2510.0000 -210.34904 -199.50671 10.84233 2.76239 -199.87919 890.04152
2515.0000 -210.40078 -201.16576 9.23503 2.75009 -200.11872 884.13429
2520.0000 -211.73446 -203.01550 8.71896 2.61618 -202.72773 785.59976
2525.0000 -208.95504 -198.86942 10.08562 2.71480 -200.80638 860.94574
2530.0000 -209.43621 -198.86052 10.57570 2.83206 -198.52166 914.58747
2535.0000 -208.48384 -200.06284 8.42100 2.76483 -199.83157 883.45837
2540.0000 -210.20675 -199.79852 10.40823 2.79887 -199.16830 919.24452
2545.0000 -209.38258 -198.62294 10.75964 2.81418 -198.87005 924.93141
2550.0000 -210.70805 -200.61833 10.08972 2.82407 -198.67749 952.94607
2555.0000 -209.36027 -199.03353 10.32673 2.70879 -200.92339 854.53168
2560.0000 -208.46278 -197.71982 10.74296 2.84255 -198.31744 958.29803
2565.0000 -209.09974 -198.66537 10.43437 2.87131 -197.75702 958.11361
2570.0000 -209.31144 -198.49517 10.81627 2.83297 -198.50407 927.08435
2575.0000 -209.21403 -198.59523 10.61880 2.79633 -199.21796 906.03286
2580.0000 -209.42415 -201.11812 8.30603 2.71795 -200.74496 842.54890
2585.0000 -210.07434 -199.54357 10.53077 2.73866 -200.34141 865.90454
2590.0000 -209.98079 -200.08498 9.89581 2.77964 -199.54303 916.47403
2595.0000 -209.01133 -199.33307 9.67826 2.77824 -199.57041 914.53904
2600.0000 -208.63594 -199.03458 9.60136 2.78436 -199.45103 885.80867
2605.0000 -208.25503 -198.66219 9.59285 2.82958 -198.56997 919.49036
2610.0000 -208.12665 -197.45257 10.67408 2.86621 -197.85635 949.71052
2615.0000 -204.52409 -193.50843 11.01566 2.98758 -195.49163 1033.22068
2620.0000 -209.19611 -197.52373 11.67238 2.96675 -195.89752 1014.92874
2625.0000 -206.89209 -196.64702 10.24507 2.88328 -197.52379 980.08830
2630.0000 -208.56012 -196.87389 11.68623 2.89565 -197.28282 964.98875
2635.0000 -209.86347 -198.39043 11.47304 2.85270 -198.11956 949.60658
2640.0000 -209.29586 -199.25042 10.04544 2.78993 -199.34258 885.25899
2645.0000 -208.62917 -198.19173 10.43744 2.88693 -197.45266 951.78550
2650.0000 -208.21869 -196.78800 11.43068 2.88273 -197.53459 989.53614
2655.0000 -208.66200 -199.37192 9.29008 2.84106 -198.34629 939.99808
2660.0000 -207.88846 -197.11482 10.77364 2.80794 -198.99172 912.39674
2665.0000 -207.70045 -198.10861 9.59184 2.93333 -196.54856 981.13623
2670.0000 -209.15047 -200.64865 8.50181 2.81161 -198.92014 928.91688
2675.0000 -210.42429 -200.18335 10.24094 2.74294 -200.25800 884.72395
2680.0000 -207.82373 -197.55149 10.27224 2.81428 -198.86811 909.73275
2685.0000 -209.46995 -198.26340 11.20655 2.82643 -198.63141 930.99319
2690.0000 -208.25463 -198.16703 10.08760 2.85240 -198.12550 929.22042
2695.0000 -209.25148 -197.06287 12.18861 2.92757 -196.66092 966.31315
2700.0000 -205.20441 -193.43985 11.76457 2.95853 -196.05770 1000.35648
2705.0000 -209.22750 -199.40229 9.82520 2.97776 -195.68290 1030.65051
2710.0000 -210.46752 -200.83598 9.63155 2.73865 -200.34160 858.69160
2715.0000 -209.45471 -199.04443 10.41028 2.82196 -198.71855 920.03814
2720.0000 -210.64610 -199.56198 11.08413 2.80469 -199.05490 901.50117
2725.0000 -211.78554 -201.63433 10.15121 2.70938 -200.91205 861.48334
2730.0000 -212.00389 -202.79219 9.21169 2.66317 -201.81227 827.79881
2735.0000 -209.77189 -200.30272 9.46916 2.68431 -201.40035 859.78903
2740.0000 -211.27792 -201.84758 9.43034 2.69336 -201.22399 816.75671
2745.0000 -209.91717 -199.72212 10.19505 2.68938 -201.30156 864.10999
2750.0000 -207.37907 -199.91727 7.46180 2.75551 -200.01327 853.08016
FREEZING PROCESS: loop number 12 T-loop= 886.00000000000000
main_MD> interactions number 12 at Temperature= 886.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41349 1.00088 -0.62880
force_rgl> df(natom) -5.42064 -2.36792 0.83722
2755.0000 -210.32328 -200.92627 9.39701 2.75439 -200.03506 848.97221
2760.0000 -211.52347 -201.08270 10.44077 2.69034 -201.28283 854.69574
2765.0000 -209.36655 -199.73845 9.62810 2.74474 -200.22306 884.27280
2770.0000 -209.67028 -199.55188 10.11841 2.79194 -199.30336 910.59965
2775.0000 -211.09193 -202.71689 8.37504 2.75046 -200.11159 856.72473
2780.0000 -209.58728 -198.98774 10.59954 2.68735 -201.34119 853.39602
2785.0000 -209.54527 -199.00272 10.54255 2.79490 -199.24573 886.95363
2790.0000 -210.65382 -200.11285 10.54097 2.80666 -199.01660 911.94527
2795.0000 -209.06176 -198.69874 10.36302 2.79860 -199.17374 905.99229
2800.0000 -208.55059 -198.31431 10.23628 2.79047 -199.33197 901.33097
2805.0000 -208.65705 -199.39125 9.26580 2.83623 -198.44047 907.20612
2810.0000 -210.14630 -200.86954 9.27676 2.72040 -200.69723 840.34780
2815.0000 -209.45892 -201.12437 8.33455 2.72150 -200.67580 866.66142
2820.0000 -209.45521 -199.02076 10.43446 2.72828 -200.54371 869.84614
2825.0000 -209.05502 -200.13378 8.92124 2.73921 -200.33081 853.91720
2830.0000 -210.14775 -200.43404 9.71371 2.76291 -199.86900 879.94713
2835.0000 -210.36300 -199.46741 10.89559 2.76396 -199.84858 897.92818
2840.0000 -209.93951 -199.21219 10.72731 2.80659 -199.01806 906.36272
2845.0000 -208.52931 -197.84428 10.68503 2.80517 -199.04557 931.32158
2850.0000 -206.72988 -196.08719 10.64269 2.91373 -196.93057 963.55697
2855.0000 -208.07008 -197.20480 10.86528 2.90234 -197.15243 971.80320
2860.0000 -206.67059 -197.43544 9.23515 2.86635 -197.85367 971.26979
2865.0000 -208.82781 -199.04194 9.78587 2.85598 -198.05578 936.34251
2870.0000 -208.63955 -199.58442 9.05512 2.81736 -198.80806 899.33141
2875.0000 -210.12941 -201.38466 8.74475 2.74319 -200.25328 868.48303
2880.0000 -208.12293 -198.76751 9.35542 2.74208 -200.27495 856.97239
2885.0000 -209.45390 -197.83477 11.61913 2.83182 -198.52643 911.64182
2890.0000 -211.48798 -201.44948 10.03850 2.73183 -200.47460 904.77609
2895.0000 -211.63788 -202.64241 8.99547 2.65118 -202.04581 817.84117
2900.0000 -210.05898 -200.19253 9.86645 2.63724 -202.31740 815.30735
2905.0000 -211.22437 -200.47327 10.75110 2.74288 -200.25919 908.60278
2910.0000 -210.49926 -199.31552 11.18375 2.73941 -200.32691 878.95308
2915.0000 -209.62318 -200.57995 9.04323 2.76792 -199.77145 886.67152
2920.0000 -210.40802 -201.05621 9.35181 2.68747 -201.33892 850.67515
2925.0000 -210.29905 -200.47673 9.82232 2.73657 -200.38229 879.92828
2930.0000 -211.55653 -202.95273 8.60379 2.66034 -201.86747 831.55119
2935.0000 -208.88462 -199.50931 9.37531 2.70691 -200.96014 852.65160
2940.0000 -210.24443 -201.11076 9.13367 2.75073 -200.10628 896.29866
2945.0000 -210.26232 -200.65351 9.60882 2.72256 -200.65522 865.65303
2950.0000 -209.61794 -200.92085 8.69708 2.67970 -201.49025 843.03965
2955.0000 -211.91506 -202.27705 9.63801 2.68668 -201.35417 864.16279
2960.0000 -212.69681 -202.99465 9.70216 2.61728 -202.70631 802.55945
2965.0000 -211.60923 -202.05259 9.55665 2.65462 -201.97888 831.14991
2970.0000 -208.34495 -199.78655 8.55840 2.72009 -200.70328 848.44393
2975.0000 -208.63819 -198.18974 10.44845 2.80849 -198.98101 918.94066
2980.0000 -209.99689 -198.69574 11.30115 2.83498 -198.46492 937.24321
2985.0000 -210.63807 -200.88461 9.75346 2.77399 -199.65317 932.10454
2990.0000 -211.41243 -201.57349 9.83893 2.71742 -200.75523 852.20118
2995.0000 -210.86471 -201.72878 9.13593 2.68531 -201.38097 869.96546
3000.0000 -211.26349 -202.05084 9.21265 2.67132 -201.65351 850.23101
FREEZING PROCESS: loop number 13 T-loop= 861.00000000000000
main_MD> interactions number 13 at Temperature= 861.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.40848 -0.17275 -1.55026
force_rgl> df(natom) 3.34995 -0.07522 0.74336
3005.0000 -209.44960 -201.00906 8.44054 2.68275 -201.43075 836.00433
3010.0000 -210.00661 -201.51806 8.48855 2.70531 -200.99129 854.41412
3015.0000 -209.58889 -199.95899 9.62990 2.70449 -201.00732 857.26945
3020.0000 -211.10647 -200.06007 11.04640 2.78439 -199.45051 911.81057
3025.0000 -210.88028 -200.62337 10.25691 2.76283 -199.87052 910.29085
3030.0000 -209.81264 -199.33044 10.48220 2.73870 -200.34064 884.86447
3035.0000 -210.39251 -200.86844 9.52408 2.76424 -199.84301 881.93846
3040.0000 -211.31465 -202.19298 9.12167 2.72206 -200.66482 847.11577
3045.0000 -210.41814 -199.79339 10.62475 2.69843 -201.12536 854.23136
3050.0000 -209.04987 -199.26847 9.78141 2.75365 -200.04933 910.68431
3055.0000 -210.64316 -200.17602 10.46713 2.75995 -199.92659 886.33059
3060.0000 -208.68396 -199.45125 9.23271 2.76934 -199.74366 892.21072
3065.0000 -209.09781 -199.74282 9.35498 2.73307 -200.45042 844.14018
3070.0000 -211.83570 -202.83697 8.99874 2.70898 -200.91966 855.29510
3075.0000 -210.66282 -202.67615 7.98667 2.65119 -202.04561 813.27259
3080.0000 -208.80511 -199.56226 9.24285 2.68614 -201.36472 829.89802
3085.0000 -210.61210 -200.76850 9.84361 2.78137 -199.50933 886.92454
3090.0000 -210.11441 -201.23025 8.88417 2.70244 -201.04711 847.75549
3095.0000 -210.32553 -200.09721 10.22832 2.74046 -200.30636 855.32846
3100.0000 -210.00149 -200.87248 9.12901 2.74759 -200.16745 859.03095
3105.0000 -210.85910 -201.67745 9.18165 2.71304 -200.84056 853.89455
3110.0000 -211.11996 -201.22382 9.89614 2.67879 -201.50799 862.09205
3115.0000 -210.94393 -200.64912 10.29481 2.73796 -200.35508 878.25466
3120.0000 -211.27793 -202.55762 8.72031 2.73931 -200.32873 889.45652
3125.0000 -209.97746 -200.78922 9.18823 2.69681 -201.15678 868.15404
3130.0000 -209.81349 -200.86189 8.95160 2.71686 -200.76617 872.49362
3135.0000 -210.52016 -201.45857 9.06158 2.72286 -200.64926 852.50182
3140.0000 -211.74194 -201.77016 9.97178 2.66632 -201.75095 839.70607
3145.0000 -210.81067 -202.39168 8.41899 2.60051 -203.03307 772.98085
3150.0000 -213.93274 -204.47650 9.45624 2.62798 -202.49797 803.97161
3155.0000 -211.88603 -203.30411 8.58193 2.54071 -204.19828 767.73901
3160.0000 -209.77455 -200.44500 9.32955 2.63597 -202.34221 816.14945
3165.0000 -210.23003 -200.43489 9.79514 2.72423 -200.62256 870.47310
3170.0000 -210.88652 -201.73454 9.15198 2.67003 -201.67864 840.92570
3175.0000 -212.03590 -201.47417 10.56173 2.72993 -200.51148 868.93436
3180.0000 -209.83178 -200.00926 9.82252 2.73115 -200.48786 862.10060
3185.0000 -207.35399 -198.11599 9.23800 2.77959 -199.54397 901.79890
3190.0000 -209.39251 -199.56089 9.83161 2.81638 -198.82714 894.92439
3195.0000 -210.56006 -200.89181 9.66825 2.77820 -199.57106 902.16267
3200.0000 -209.06416 -199.53350 9.53067 2.71284 -200.84451 836.70737
3205.0000 -210.27772 -200.92645 9.35127 2.74278 -200.26122 870.47980
3210.0000 -211.02040 -200.60091 10.41949 2.63980 -202.26769 820.41927
3215.0000 -212.27930 -204.15273 8.12657 2.57658 -203.49928 783.42562
3220.0000 -210.60382 -201.46780 9.13602 2.59971 -203.04878 789.71641
3225.0000 -210.22630 -200.70734 9.51897 2.67618 -201.55884 863.41369
3230.0000 -210.36066 -200.28752 10.07314 2.69542 -201.18389 871.62046
3235.0000 -208.50574 -199.31596 9.18978 2.76816 -199.76664 897.91399
3240.0000 -209.96586 -202.13566 7.83021 2.76015 -199.92286 882.17177
3245.0000 -210.05290 -201.61614 8.43675 2.70709 -200.95651 846.27739
3250.0000 -208.46466 -198.63498 9.82968 2.75452 -200.03255 876.65296
FREEZING PROCESS: loop number 14 T-loop= 836.00000000000000
main_MD> interactions number 14 at Temperature= 836.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.55101 0.64971 3.01508
force_rgl> df(natom) -2.32150 -1.83219 1.15721
3255.0000 -210.00753 -199.82545 10.18208 2.81595 -198.83561 936.61974
3260.0000 -209.60062 -201.57938 8.02124 2.73736 -200.36677 857.58156
3265.0000 -210.67174 -202.82929 7.84244 2.62468 -202.56222 804.68006
3270.0000 -211.57670 -202.20900 9.36770 2.66896 -201.69945 830.94205
3275.0000 -209.73771 -199.90218 9.83553 2.70661 -200.96590 855.13192
3280.0000 -210.25204 -201.68108 8.57097 2.70458 -201.00549 841.38975
3285.0000 -212.55706 -203.59627 8.96079 2.65917 -201.89028 814.60963
3290.0000 -211.77330 -202.47490 9.29840 2.57270 -203.57492 743.94284
3295.0000 -211.48336 -202.60885 8.87451 2.61093 -202.83014 782.77414
3300.0000 -210.77230 -201.46095 9.31135 2.62211 -202.61234 801.13519
3305.0000 -211.38883 -201.03328 10.35555 2.63968 -202.27001 806.52715
3310.0000 -210.38023 -199.67975 10.70049 2.73195 -200.47221 878.43357
3315.0000 -208.82622 -200.32818 8.49803 2.74827 -200.15434 899.30122
3320.0000 -211.49810 -201.42239 10.07571 2.73399 -200.43243 861.54891
3325.0000 -209.25463 -201.61185 7.64278 2.70364 -201.02380 852.71212
3330.0000 -210.42678 -201.40973 9.01705 2.65728 -201.92707 822.08943
3335.0000 -209.50979 -202.00878 7.50101 2.67668 -201.54904 813.11367
3340.0000 -210.15318 -201.44367 8.70951 2.65827 -201.90782 823.17517
3345.0000 -211.49897 -201.81361 9.68536 2.67915 -201.50099 852.49293
3350.0000 -212.55528 -202.98130 9.57399 2.67430 -201.59539 850.69906
3355.0000 -210.87521 -201.78136 9.09385 2.66351 -201.80560 824.34224
3360.0000 -211.16129 -202.00855 9.15274 2.64327 -202.19999 807.30559
3365.0000 -210.76860 -201.80539 8.96321 2.68941 -201.30113 868.94738
3370.0000 -209.43689 -200.57404 8.86286 2.68919 -201.30537 827.56522
3375.0000 -210.21895 -202.11454 8.10442 2.70680 -200.96220 858.56507
3380.0000 -211.05296 -201.32124 9.73172 2.66030 -201.86827 846.42962
3385.0000 -210.07286 -200.80744 9.26542 2.72200 -200.66611 866.24125
3390.0000 -209.82937 -201.19215 8.63722 2.75589 -200.00571 894.44385
3395.0000 -212.21171 -202.43078 9.78094 2.61909 -202.67115 802.22144
3400.0000 -210.31890 -201.48861 8.83029 2.66573 -201.76243 831.73375
3405.0000 -212.65156 -205.32770 7.32386 2.58400 -203.35476 766.69712
3410.0000 -210.38428 -201.71144 8.67284 2.59485 -203.14338 789.19289
3415.0000 -210.67173 -200.88888 9.78285 2.69952 -201.10406 819.63231
3420.0000 -210.17448 -199.47597 10.69851 2.73042 -200.50199 864.94644
3425.0000 -211.27359 -200.80005 10.47355 2.77009 -199.72909 882.62074
3430.0000 -210.48804 -201.43918 9.04885 2.73169 -200.47719 873.84991
3435.0000 -211.37238 -202.27034 9.10204 2.65012 -202.06650 808.46470
3440.0000 -212.78698 -203.77222 9.01477 2.62064 -202.64092 809.93002
3445.0000 -212.00167 -203.67057 8.33110 2.58850 -203.26714 782.10049
3450.0000 -210.64138 -201.89825 8.74313 2.59507 -203.13921 749.81610
3455.0000 -209.09342 -200.14002 8.95340 2.71789 -200.74606 862.92622
3460.0000 -210.37053 -201.32595 9.04458 2.70817 -200.93557 871.10329
3465.0000 -208.72663 -200.07229 8.65434 2.69058 -201.27832 839.88801
3470.0000 -209.92888 -200.37643 9.55246 2.75948 -199.93587 878.85381
3475.0000 -209.94933 -200.93455 9.01478 2.73243 -200.46296 848.36282
3480.0000 -209.31212 -200.22106 9.09106 2.71312 -200.83906 858.63597
3485.0000 -209.74512 -201.32122 8.42390 2.73023 -200.50569 854.64681
3490.0000 -209.88718 -200.70254 9.18464 2.75353 -200.05172 890.66590
3495.0000 -209.69339 -199.04962 10.64377 2.74134 -200.28925 863.36719
3500.0000 -208.90589 -199.94403 8.96186 2.77779 -199.57901 889.72109
FREEZING PROCESS: loop number 15 T-loop= 811.00000000000000
main_MD> interactions number 15 at Temperature= 811.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.03935 -1.63723 0.92819
force_rgl> df(natom) -0.77200 -0.76262 -3.87550
3505.0000 -211.26463 -201.22847 10.03616 2.69648 -201.16321 840.95855
3510.0000 -210.42841 -200.71099 9.71742 2.69346 -201.22219 841.10956
3515.0000 -210.83067 -201.33981 9.49086 2.70662 -200.96566 843.71915
3520.0000 -211.72494 -203.69297 8.03197 2.59428 -203.15458 784.24303
3525.0000 -211.79791 -202.32943 9.46848 2.59000 -203.23793 777.79052
3530.0000 -210.76440 -202.84556 7.91884 2.61181 -202.81303 781.90743
3535.0000 -212.55259 -203.48609 9.06650 2.61754 -202.70135 800.44753
3540.0000 -212.11341 -202.53941 9.57400 2.57628 -203.50522 766.35163
3545.0000 -211.23402 -202.69627 8.53775 2.62142 -202.62580 806.78193
3550.0000 -212.36576 -203.04584 9.31992 2.57498 -203.53056 774.42963
3555.0000 -210.74219 -200.19882 10.54337 2.69873 -201.11939 868.13373
3560.0000 -212.33557 -201.89306 10.44252 2.67365 -201.60814 839.87046
3565.0000 -211.75598 -201.74956 10.00642 2.63515 -202.35823 836.42255
3570.0000 -210.91055 -202.70436 8.20618 2.63954 -202.27269 799.17462
3575.0000 -212.53368 -203.63172 8.90197 2.58021 -203.42865 787.45167
3580.0000 -210.62309 -201.11835 9.50474 2.64583 -202.15009 825.87595
3585.0000 -210.77421 -201.99307 8.78114 2.65975 -201.87895 819.37042
3590.0000 -210.49815 -201.70678 8.79137 2.66880 -201.70268 824.68729
3595.0000 -210.03190 -200.68341 9.34849 2.69850 -201.12402 848.41846
3600.0000 -211.05501 -201.27678 9.77823 2.72580 -200.59202 857.85830
3605.0000 -210.34236 -201.58729 8.75507 2.69105 -201.26905 861.57235
3610.0000 -210.35874 -201.05588 9.30286 2.70108 -201.07372 846.10864
3615.0000 -210.79118 -202.16516 8.62601 2.62684 -202.52008 791.44009
3620.0000 -211.56439 -202.55643 9.00795 2.62556 -202.54514 803.21854
3625.0000 -212.23089 -203.39148 8.83941 2.63378 -202.38484 834.83057
3630.0000 -213.05465 -203.92731 9.12734 2.60065 -203.03041 814.89379
3635.0000 -211.74840 -201.93429 9.81411 2.57943 -203.44380 785.67193
3640.0000 -210.93772 -203.62782 7.30990 2.61925 -202.66802 791.36467
3645.0000 -212.89353 -204.59084 8.30269 2.56557 -203.71392 755.43974
3650.0000 -212.00808 -201.64478 10.36329 2.60605 -202.92527 793.21907
3655.0000 -211.10664 -201.73894 9.36770 2.72041 -200.69707 867.80783
3660.0000 -212.44827 -204.41964 8.02863 2.58865 -203.26422 789.97322
3665.0000 -211.14570 -203.21093 7.93476 2.54662 -204.08317 740.11623
3670.0000 -211.79198 -202.27755 9.51443 2.62584 -202.53965 784.16058
3675.0000 -212.95885 -203.27161 9.68724 2.61668 -202.71813 816.85150
3680.0000 -211.73843 -204.96195 6.77648 2.56719 -203.68231 784.41667
3685.0000 -213.19138 -202.86547 10.32591 2.58506 -203.33414 779.06220
3690.0000 -211.90692 -202.28942 9.61750 2.59923 -203.05801 801.50335
3695.0000 -210.24196 -201.39836 8.84359 2.62272 -202.60030 814.35710
3700.0000 -211.94610 -201.68261 10.26349 2.68753 -201.33771 846.99790
3705.0000 -211.76319 -203.00436 8.75883 2.64479 -202.17046 812.06542
3710.0000 -210.78580 -202.57444 8.21135 2.64017 -202.26041 813.64480
3715.0000 -210.98262 -203.64838 7.33424 2.57679 -203.49518 742.04890
3720.0000 -212.11330 -202.69942 9.41388 2.61608 -202.72986 793.67318
3725.0000 -211.55787 -203.10208 8.45579 2.63548 -202.35187 785.83689
3730.0000 -210.61130 -202.16058 8.45072 2.63898 -202.28350 795.25906
3735.0000 -213.11100 -204.64729 8.46371 2.59367 -203.16645 792.30720
3740.0000 -211.19882 -203.48455 7.71427 2.56009 -203.82072 768.98379
3745.0000 -211.19738 -202.96409 8.23329 2.61277 -202.79426 791.56738
3750.0000 -212.61452 -202.37406 10.24046 2.64401 -202.18553 818.62307
FREEZING PROCESS: loop number 16 T-loop= 786.00000000000000
main_MD> interactions number 16 at Temperature= 786.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.49002 5.90429 2.67553
force_rgl> df(natom) -4.33288 0.36216 -1.77945
3755.0000 -210.05997 -201.26199 8.79798 2.62949 -202.46841 816.72567
3760.0000 -212.02715 -201.97759 10.04956 2.64007 -202.26233 786.99208
3765.0000 -212.67242 -202.85759 9.81482 2.61422 -202.76604 785.43701
3770.0000 -212.57650 -203.46179 9.11471 2.62088 -202.63620 808.52925
3775.0000 -213.03707 -204.12725 8.90982 2.51871 -204.62688 766.15490
3780.0000 -212.74594 -203.47615 9.26979 2.62042 -202.64515 817.03064
3785.0000 -212.01430 -203.83437 8.17993 2.57834 -203.46504 803.94757
3790.0000 -212.74722 -205.02611 7.72111 2.48459 -205.29168 720.74569
3795.0000 -210.99448 -203.65346 7.34102 2.56123 -203.79838 750.44897
3800.0000 -212.34805 -204.52952 7.81853 2.53942 -204.22329 748.82867
3805.0000 -213.33614 -204.07490 9.26124 2.58117 -203.40990 789.29277
3810.0000 -212.13197 -203.15708 8.97489 2.56945 -203.63821 776.29793
3815.0000 -210.80708 -201.12962 9.67747 2.61583 -202.73470 796.18479
3820.0000 -211.43196 -201.31138 10.12058 2.67154 -201.64927 808.51725
3825.0000 -211.02699 -201.57015 9.45684 2.69872 -201.11969 837.72048
3830.0000 -212.30501 -202.35035 9.95465 2.67013 -201.67661 813.45431
3835.0000 -212.28552 -204.44969 7.83584 2.56764 -203.67358 776.72198
3840.0000 -211.17445 -203.22363 7.95082 2.55995 -203.82329 754.54589
3845.0000 -211.84072 -203.25720 8.58352 2.60301 -202.98443 783.87124
3850.0000 -211.66062 -203.84244 7.81817 2.56172 -203.78897 768.86529
3855.0000 -212.43891 -202.66453 9.77438 2.56745 -203.67715 763.08294
3860.0000 -211.09949 -200.69568 10.40381 2.68789 -201.33074 855.08237
3865.0000 -210.94784 -202.98114 7.96669 2.63850 -202.29296 805.66516
3870.0000 -212.18820 -204.81893 7.36926 2.56953 -203.63669 767.63253
3875.0000 -212.73602 -203.20920 9.52682 2.56889 -203.64911 779.03883
3880.0000 -213.74091 -204.86368 8.87724 2.53552 -204.29926 763.34341
3885.0000 -213.47893 -205.46618 8.01274 2.50635 -204.86764 726.52779
3890.0000 -212.84543 -203.98825 8.85718 2.51454 -204.70806 755.50459
3895.0000 -211.44149 -203.12930 8.31219 2.56753 -203.67571 779.30579
3900.0000 -212.76731 -203.95636 8.81095 2.58203 -203.39312 768.39171
3905.0000 -212.22545 -203.08142 9.14403 2.55807 -203.86002 769.31420
3910.0000 -212.65706 -204.35741 8.29965 2.58011 -203.43064 786.86033
3915.0000 -212.00240 -203.00472 8.99768 2.58291 -203.37601 777.35733
3920.0000 -211.79360 -202.15606 9.63754 2.63160 -202.42736 838.35436
3925.0000 -210.53029 -202.84148 7.68881 2.67202 -201.63982 851.20847
3930.0000 -212.51724 -203.26978 9.24745 2.57986 -203.43552 752.94171
3935.0000 -210.84869 -202.88242 7.96626 2.61201 -202.80906 796.86857
3940.0000 -212.77293 -202.71647 10.05646 2.60304 -202.98387 768.84220
3945.0000 -211.08438 -201.49904 9.58535 2.60550 -202.93593 811.85617
3950.0000 -211.76715 -202.06227 9.70488 2.67996 -201.48522 844.60974
3955.0000 -210.96742 -201.41032 9.55710 2.63979 -202.26773 820.75695
3960.0000 -211.04435 -202.54288 8.50147 2.66517 -201.77335 817.16828
3965.0000 -210.25665 -202.40105 7.85559 2.64538 -202.15895 821.30494
3970.0000 -211.85973 -203.35442 8.50531 2.61199 -202.80947 780.71972
3975.0000 -210.00277 -201.94960 8.05317 2.62027 -202.64811 816.13869
3980.0000 -210.77596 -202.01589 8.76006 2.63611 -202.33949 794.00625
3985.0000 -210.93798 -201.52194 9.41605 2.68747 -201.33883 816.36301
3990.0000 -213.42692 -203.63314 9.79378 2.60909 -202.86596 790.58095
3995.0000 -212.26656 -202.09841 10.16816 2.62022 -202.64907 809.22935
4000.0000 -211.32377 -203.05502 8.26875 2.66500 -201.77666 839.34176
FREEZING PROCESS: loop number 17 T-loop= 761.00000000000000
main_MD> interactions number 17 at Temperature= 761.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.54582 -6.15126 0.38863
force_rgl> df(natom) 1.15435 1.24727 -0.66657
4005.0000 -211.23269 -203.08012 8.15256 2.57448 -203.54033 752.96437
4010.0000 -211.24237 -201.55545 9.68693 2.64110 -202.24233 792.82602
4015.0000 -212.48383 -202.72462 9.75920 2.69991 -201.09649 841.40102
4020.0000 -211.78728 -201.96311 9.82417 2.62932 -202.47185 811.85324
4025.0000 -211.92188 -202.86324 9.05863 2.65128 -202.04390 815.23321
4030.0000 -212.10574 -203.40918 8.69657 2.61823 -202.68787 786.81141
4035.0000 -212.81094 -202.88526 9.92568 2.60590 -202.92820 804.07998
4040.0000 -211.68168 -203.05828 8.62340 2.61110 -202.82688 795.59144
4045.0000 -213.26539 -204.57237 8.69301 2.53370 -204.33474 744.14891
4050.0000 -211.65828 -203.73133 7.92696 2.53946 -204.22256 739.49467
4055.0000 -212.98176 -203.90327 9.07849 2.54428 -204.12868 767.02978
4060.0000 -212.46124 -203.37045 9.09079 2.58874 -203.26237 789.40700
4065.0000 -211.97224 -203.78464 8.18760 2.57984 -203.43592 752.55306
4070.0000 -211.85123 -203.28248 8.56875 2.56344 -203.75539 753.66183
4075.0000 -213.62466 -205.29406 8.33060 2.54531 -204.10866 763.15769
4080.0000 -213.96235 -206.33579 7.62657 2.49640 -205.06155 739.10584
4085.0000 -212.87013 -204.63277 8.23735 2.52266 -204.54994 745.95569
4090.0000 -213.41100 -205.13214 8.27885 2.52032 -204.59551 756.79778
4095.0000 -212.73542 -203.85744 8.87798 2.55817 -203.85796 753.15064
4100.0000 -211.27533 -202.36831 8.90702 2.63400 -202.38057 820.90020
4105.0000 -210.63660 -202.06380 8.57280 2.64686 -202.13006 814.91993
4110.0000 -213.28532 -204.09883 9.18649 2.59768 -203.08821 779.66429
4115.0000 -211.65222 -203.80866 7.84357 2.57632 -203.50449 778.47202
4120.0000 -211.71724 -201.32217 10.39506 2.61606 -202.73006 788.07841
4125.0000 -212.01628 -202.50052 9.51575 2.64614 -202.14403 821.43013
4130.0000 -213.02516 -204.43459 8.59057 2.60813 -202.88473 792.69708
4135.0000 -212.29118 -204.31374 7.97744 2.53215 -204.36495 747.82502
4140.0000 -211.76972 -205.46127 6.30844 2.51847 -204.63153 753.91216
4145.0000 -213.98079 -205.85480 8.12599 2.46167 -205.73813 702.05953
4150.0000 -213.14484 -205.18016 7.96468 2.46783 -205.61826 698.07099
4155.0000 -211.29256 -203.17746 8.11510 2.59684 -203.10465 779.53642
4160.0000 -214.00695 -205.25265 8.75430 2.53329 -204.34273 757.72216
4165.0000 -212.55387 -204.53098 8.02288 2.53182 -204.37142 737.13101
4170.0000 -212.41737 -203.30822 9.10916 2.57300 -203.56918 768.05208
4175.0000 -212.87990 -204.24386 8.63604 2.56152 -203.79285 754.62244
4180.0000 -213.49618 -204.94742 8.54876 2.52465 -204.51104 754.16880
4185.0000 -212.19222 -204.77884 7.41337 2.54964 -204.02418 763.90731
4190.0000 -210.90847 -202.42169 8.48678 2.58786 -203.27950 777.91419
4195.0000 -213.09436 -205.66615 7.42820 2.53822 -204.24665 744.67098
4200.0000 -211.42345 -204.12823 7.29523 2.53155 -204.37664 749.91248
4205.0000 -211.78393 -204.54555 7.23839 2.58596 -203.31657 763.57404
4210.0000 -212.96388 -204.91321 8.05068 2.52332 -204.53698 722.16259
4215.0000 -212.51635 -205.06922 7.44713 2.52762 -204.45334 755.89490
4220.0000 -213.08018 -205.29585 7.78433 2.49866 -205.01749 722.13524
4225.0000 -211.62454 -204.79345 6.83109 2.52782 -204.44946 732.26979
4230.0000 -212.12553 -204.21811 7.90742 2.52461 -204.51196 712.39179
4235.0000 -212.64229 -204.47539 8.16690 2.55491 -203.92158 766.47310
4240.0000 -213.16131 -204.62671 8.53460 2.54028 -204.20657 736.12077
4245.0000 -212.75070 -204.92747 7.82323 2.49960 -204.99925 716.71456
4250.0000 -213.38703 -202.35767 11.02936 2.58464 -203.34240 785.09697
FREEZING PROCESS: loop number 18 T-loop= 736.00000000000000
main_MD> interactions number 18 at Temperature= 736.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26363 4.51686 1.24979
force_rgl> df(natom) 0.50064 0.63112 -4.74452
4255.0000 -212.22257 -203.85267 8.36990 2.60826 -202.88219 804.93663
4260.0000 -212.93619 -205.49304 7.44314 2.53434 -204.32228 765.60866
4265.0000 -214.39373 -205.59100 8.80273 2.48765 -205.23212 745.76266
4270.0000 -214.64065 -207.53783 7.10282 2.41839 -206.58136 677.02297
4275.0000 -212.72865 -205.49172 7.23693 2.41935 -206.56283 686.04281
4280.0000 -213.86775 -205.81905 8.04870 2.47769 -205.42604 718.45880
4285.0000 -212.98462 -204.94939 8.03524 2.50105 -204.97100 737.10821
4290.0000 -212.15280 -203.27971 8.87308 2.54574 -204.10026 731.90717
4295.0000 -211.50638 -201.73237 9.77401 2.63620 -202.33773 806.64079
4300.0000 -211.24178 -202.69642 8.54535 2.60052 -203.03297 798.07980
4305.0000 -213.20730 -205.37104 7.83627 2.57342 -203.56096 767.34431
4310.0000 -213.08166 -205.32220 7.75946 2.46759 -205.62290 705.70168
4315.0000 -213.68845 -204.82814 8.86030 2.46701 -205.63421 705.91777
4320.0000 -212.06456 -202.07227 9.99229 2.59860 -203.07040 803.17051
4325.0000 -212.67588 -204.73745 7.93843 2.53694 -204.27178 741.11413
4330.0000 -213.25284 -204.13346 9.11938 2.50617 -204.87114 728.59228
4335.0000 -214.04510 -203.95623 10.08887 2.57294 -203.57032 782.40723
4340.0000 -213.61752 -204.19268 9.42484 2.50506 -204.89274 736.26625
4345.0000 -212.37025 -203.23702 9.13323 2.55073 -204.00299 764.42664
4350.0000 -212.12543 -203.91856 8.20688 2.57075 -203.61303 762.00462
4355.0000 -212.84593 -203.19986 9.64607 2.56251 -203.77343 768.10856
4360.0000 -211.82968 -202.68074 9.14894 2.55056 -204.00628 753.46339
4365.0000 -213.13149 -204.65899 8.47250 2.59068 -203.22461 777.19383
4370.0000 -211.96867 -204.70544 7.26323 2.54576 -204.09981 750.81519
4375.0000 -211.80952 -204.03952 7.77000 2.54222 -204.16876 761.36553
4380.0000 -213.34933 -205.31086 8.03847 2.55909 -203.84021 756.57909
4385.0000 -211.73531 -202.42950 9.30581 2.56576 -203.71020 773.17052
4390.0000 -212.90139 -203.69572 9.20567 2.54871 -204.04233 771.70773
4395.0000 -212.04911 -203.46957 8.57954 2.57870 -203.45805 780.61367
4400.0000 -212.20284 -204.18429 8.01855 2.57609 -203.50891 789.85295
4405.0000 -210.79358 -203.32242 7.47117 2.51755 -204.64949 717.99203
4410.0000 -210.11515 -202.14929 7.96585 2.59315 -203.17652 776.83836
4415.0000 -212.60682 -206.11294 6.49387 2.52900 -204.42636 754.98959
4420.0000 -213.76380 -205.81190 7.95190 2.47847 -205.41086 719.13798
4425.0000 -214.65523 -207.35925 7.29598 2.43130 -206.33000 689.84109
4430.0000 -212.97984 -204.95367 8.02617 2.44623 -206.03894 680.69761
4435.0000 -211.93437 -204.85536 7.07901 2.49243 -205.13881 722.21321
4440.0000 -211.15264 -202.14718 9.00546 2.60255 -202.99335 786.13993
4445.0000 -213.14324 -205.50330 7.63994 2.52831 -204.43982 739.47699
4450.0000 -211.93096 -204.24149 7.68947 2.50773 -204.84088 739.61561
4455.0000 -212.87857 -204.34447 8.53410 2.52239 -204.55507 714.02924
4460.0000 -212.67216 -204.07634 8.59582 2.54677 -204.08008 730.82298
4465.0000 -211.63034 -203.86799 7.76234 2.56655 -203.69484 784.53075
4470.0000 -212.33521 -204.32293 8.01227 2.52688 -204.46775 736.16223
4475.0000 -213.64705 -205.80037 7.84668 2.48108 -205.35998 718.33019
4480.0000 -214.67587 -206.48293 8.19293 2.44073 -206.14624 692.37800
4485.0000 -212.77225 -204.74265 8.02960 2.44556 -206.05214 687.51046
4490.0000 -212.05016 -204.07295 7.97721 2.53003 -204.40636 747.18024
4495.0000 -211.97869 -204.68103 7.29766 2.52507 -204.50286 736.60322
4500.0000 -212.77994 -205.01945 7.76049 2.49436 -205.10130 722.80713
FREEZING PROCESS: loop number 19 T-loop= 711.00000000000000
main_MD> interactions number 19 at Temperature= 711.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.84595 -0.74538 -1.44438
force_rgl> df(natom) -1.23845 -0.97263 -1.19908
4505.0000 -213.56707 -206.43884 7.12822 2.47676 -205.44419 726.08403
4510.0000 -215.53471 -207.08265 8.45206 2.41157 -206.71440 671.36253
4515.0000 -212.87193 -204.73656 8.13538 2.45919 -205.78650 720.95875
4520.0000 -213.84176 -206.18989 7.65187 2.46504 -205.67262 692.14864
4525.0000 -214.53200 -206.77457 7.75744 2.39689 -207.00024 651.87301
4530.0000 -214.99482 -207.25993 7.73489 2.38557 -207.22089 666.38978
4535.0000 -214.67865 -206.57854 8.10011 2.42531 -206.44663 694.77700
4540.0000 -213.44312 -205.72434 7.71878 2.49263 -205.13507 727.23429
4545.0000 -213.10562 -204.57750 8.52813 2.49295 -205.12880 720.63532
4550.0000 -211.47898 -204.28737 7.19162 2.55235 -203.97148 767.76951
4555.0000 -211.58147 -203.72685 7.85462 2.55585 -203.90322 713.64110
4560.0000 -213.82537 -205.76411 8.06126 2.55200 -203.97831 745.50522
4565.0000 -213.32316 -205.37679 7.94637 2.49066 -205.17336 719.96992
4570.0000 -212.33033 -204.79590 7.53444 2.46675 -205.63923 693.67899
4575.0000 -213.14546 -205.73068 7.41479 2.49766 -205.03692 707.81048
4580.0000 -213.56761 -205.74070 7.82691 2.46226 -205.72664 676.27624
4585.0000 -213.51679 -206.31599 7.20080 2.42998 -206.35558 678.50132
4590.0000 -213.91671 -207.71453 6.20218 2.36964 -207.53121 633.29629
4595.0000 -214.56102 -207.31073 7.25028 2.35472 -207.82197 637.94256
4600.0000 -214.79442 -206.23968 8.55474 2.40394 -206.86303 663.68660
4605.0000 -214.92417 -207.07923 7.84494 2.41169 -206.71198 674.01883
4610.0000 -214.13501 -207.27477 6.86024 2.36717 -207.57938 645.99514
4615.0000 -213.06650 -206.12417 6.94233 2.41246 -206.69700 674.81794
4620.0000 -214.03716 -206.23833 7.79882 2.44308 -206.10031 717.84575
4625.0000 -214.02735 -207.31335 6.71400 2.41478 -206.65176 673.15200
4630.0000 -215.94625 -208.57333 7.37292 2.34183 -208.07314 639.03628
4635.0000 -214.50171 -206.54009 7.96162 2.38137 -207.30279 669.76018
4640.0000 -213.86176 -205.49373 8.36803 2.42426 -206.46712 686.08238
4645.0000 -214.26310 -206.46565 7.79745 2.41188 -206.70831 672.30003
4650.0000 -212.90569 -205.33763 7.56806 2.46808 -205.61336 703.15159
4655.0000 -212.53911 -205.64974 6.88936 2.45471 -205.87385 697.13417
4660.0000 -212.23239 -204.86980 7.36258 2.46676 -205.63907 711.14831
4665.0000 -214.18474 -206.62272 7.56202 2.46071 -205.75687 694.82116
4670.0000 -212.68255 -206.15216 6.53039 2.43267 -206.30326 681.07402
4675.0000 -213.04550 -205.45405 7.59144 2.47677 -205.44391 721.20429
4680.0000 -213.24057 -204.27240 8.96817 2.48585 -205.26713 721.07499
4685.0000 -214.05695 -206.22475 7.83219 2.47979 -205.38510 720.29930
4690.0000 -214.07662 -206.27630 7.80032 2.45171 -205.93225 699.10592
4695.0000 -213.06898 -205.85868 7.21029 2.44812 -206.00216 681.87605
4700.0000 -213.87247 -207.19872 6.67375 2.42457 -206.46108 691.35707
4705.0000 -212.90997 -205.22902 7.68094 2.43655 -206.22761 697.48260
4710.0000 -211.92392 -204.69604 7.22788 2.48138 -205.35415 725.26608
4715.0000 -212.50076 -204.42908 8.07168 2.51924 -204.61646 714.35072
4720.0000 -211.58113 -203.98823 7.59289 2.59204 -203.19821 780.14522
4725.0000 -212.05956 -203.52536 8.53421 2.57978 -203.43694 767.30079
4730.0000 -211.82848 -204.05445 7.77403 2.54520 -204.11083 751.96833
4735.0000 -212.87936 -204.02395 8.85541 2.53037 -204.39977 736.94515
4740.0000 -213.31780 -203.93634 9.38145 2.56320 -203.75998 783.34740
4745.0000 -213.64803 -205.66483 7.98321 2.51784 -204.64391 762.28865
4750.0000 -214.57035 -206.98335 7.58700 2.45750 -205.81948 698.25542
FREEZING PROCESS: loop number 20 T-loop= 686.00000000000000
main_MD> interactions number 20 at Temperature= 686.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.27168 -3.22823 0.67125
force_rgl> df(natom) 1.80291 -0.82124 -2.02739
4755.0000 -214.26288 -206.16507 8.09782 2.43415 -206.27448 677.40650
4760.0000 -213.49901 -205.53946 7.95955 2.42802 -206.39391 684.72480
4765.0000 -214.73448 -207.66358 7.07090 2.48768 -205.23135 727.82062
4770.0000 -213.60804 -206.45128 7.15677 2.40258 -206.88956 680.96019
4775.0000 -214.09847 -206.96904 7.12944 2.42516 -206.44960 682.19388
4780.0000 -213.21464 -205.72062 7.49402 2.42921 -206.37071 672.03070
4785.0000 -214.26752 -205.77957 8.48795 2.45011 -205.96339 652.67641
4790.0000 -212.72215 -205.91764 6.80451 2.48393 -205.30449 711.95212
4795.0000 -213.34981 -206.21069 7.13912 2.46261 -205.71993 700.76595
4800.0000 -212.57682 -205.02027 7.55654 2.49574 -205.07444 722.55769
4805.0000 -213.20178 -204.48117 8.72060 2.53372 -204.33440 736.36938
4810.0000 -214.49291 -206.95236 7.54055 2.47158 -205.54504 704.94894
4815.0000 -214.51067 -206.17472 8.33595 2.40951 -206.75450 668.38118
4820.0000 -213.06188 -205.53149 7.53039 2.45482 -205.87173 685.94670
4825.0000 -213.89249 -206.19826 7.69422 2.48564 -205.27128 724.66692
4830.0000 -213.92398 -206.98822 6.93576 2.41345 -206.67772 662.37998
4835.0000 -214.73718 -206.55581 8.18137 2.44458 -206.07125 718.88516
4840.0000 -214.60527 -206.78363 7.82164 2.42460 -206.46055 681.95535
4845.0000 -215.20912 -206.92145 8.28767 2.41970 -206.55590 664.88305
4850.0000 -214.49190 -205.81558 8.67631 2.39347 -207.06691 663.60091
4855.0000 -213.33417 -206.40602 6.92815 2.44409 -206.08077 688.36735
4860.0000 -214.07099 -205.62923 8.44176 2.45315 -205.90412 679.12638
4865.0000 -214.49371 -206.54554 7.94817 2.42117 -206.52723 666.95073
4870.0000 -214.47818 -207.34229 7.13589 2.37618 -207.40391 637.98685
4875.0000 -213.52021 -206.45679 7.06341 2.39663 -207.00532 634.93317
4880.0000 -213.23910 -206.35380 6.88530 2.46119 -205.74759 681.75418
4885.0000 -214.51436 -207.40442 7.10994 2.43069 -206.34182 657.72137
4890.0000 -215.38816 -207.62565 7.76250 2.39398 -207.05704 668.74071
4895.0000 -213.54623 -206.62570 6.92052 2.39552 -207.02699 671.86282
4900.0000 -214.86813 -208.00373 6.86441 2.38498 -207.23230 649.61654
4905.0000 -214.58876 -207.04285 7.54591 2.37891 -207.35058 660.53412
4910.0000 -214.06776 -206.73972 7.32804 2.42044 -206.54154 669.86623
4915.0000 -213.95501 -207.03301 6.92200 2.42017 -206.54672 671.06656
4920.0000 -214.15921 -206.80869 7.35052 2.42716 -206.41059 680.53644
4925.0000 -214.24768 -207.29990 6.94777 2.37390 -207.44819 636.42667
4930.0000 -214.16873 -206.38542 7.78331 2.38755 -207.18225 629.99353
4935.0000 -212.82822 -205.65254 7.17568 2.42055 -206.53943 664.98949
4940.0000 -213.93369 -205.97748 7.95621 2.46097 -205.75191 725.35786
4945.0000 -213.26131 -205.46522 7.79610 2.46325 -205.70748 705.64443
4950.0000 -214.19990 -205.33502 8.86488 2.48733 -205.23826 725.71405
4955.0000 -214.67631 -206.38209 8.29421 2.42934 -206.36818 700.12244
4960.0000 -212.14383 -204.72423 7.41960 2.46439 -205.68519 684.47870
4965.0000 -212.27255 -204.18735 8.08520 2.53347 -204.33926 737.02457
4970.0000 -211.72544 -204.22313 7.50231 2.55729 -203.87520 728.11837
4975.0000 -213.11824 -205.51829 7.59995 2.49833 -205.02398 726.12997
4980.0000 -213.73434 -206.11308 7.62126 2.46849 -205.60529 698.05806
4985.0000 -213.76129 -206.20334 7.55794 2.45300 -205.90709 695.93374
4990.0000 -213.79711 -207.82045 5.97666 2.39263 -207.08337 657.06223
4995.0000 -214.04580 -206.59434 7.45146 2.39473 -207.04243 647.01001
5000.0000 -213.94394 -206.24144 7.70250 2.45804 -205.80883 661.11246
FREEZING PROCESS: loop number 21 T-loop= 661.00000000000000
main_MD> interactions number 21 at Temperature= 661.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43627 1.21735 2.43441
force_rgl> df(natom) -0.53796 -2.09157 -0.27272
5005.0000 -214.56403 -207.03407 7.52995 2.41666 -206.61515 681.20119
5010.0000 -213.89426 -207.53428 6.35998 2.39522 -207.03280 651.18521
5015.0000 -214.56333 -207.42843 7.13491 2.39058 -207.12323 666.59579
5020.0000 -213.60207 -206.89279 6.70928 2.38923 -207.14950 661.22323
5025.0000 -214.11592 -206.23204 7.88388 2.41096 -206.72621 672.10943
5030.0000 -214.53373 -206.65048 7.88325 2.43253 -206.30594 682.97575
5035.0000 -213.87039 -206.37754 7.49285 2.42527 -206.44743 683.36135
5040.0000 -215.24843 -208.85041 6.39802 2.35572 -207.80240 643.27831
5045.0000 -214.23781 -207.40430 6.83351 2.31944 -208.50925 617.98512
5050.0000 -213.58928 -206.61877 6.97051 2.41830 -206.58319 690.99117
5055.0000 -214.04299 -207.58007 6.46293 2.39899 -206.95934 663.15998
5060.0000 -212.49031 -205.89325 6.59706 2.41733 -206.60207 671.21062
5065.0000 -214.76795 -207.37844 7.38951 2.38303 -207.27047 634.75090
5070.0000 -214.10243 -207.10103 7.00140 2.38753 -207.18277 656.60469
5075.0000 -214.83211 -208.66452 6.16759 2.39543 -207.02880 680.09158
5080.0000 -216.58129 -209.03729 7.54400 2.32338 -208.43260 614.28026
5085.0000 -215.11505 -207.78481 7.33024 2.36269 -207.66676 640.76899
5090.0000 -214.03858 -207.11509 6.92348 2.34253 -208.05938 622.24825
5095.0000 -215.13986 -208.12079 7.01907 2.38113 -207.30749 651.44662
5100.0000 -213.90272 -206.77492 7.12780 2.38807 -207.17210 646.30188
5105.0000 -215.38230 -206.75514 8.62716 2.41052 -206.73486 674.43419
5110.0000 -214.47042 -206.74792 7.72250 2.43311 -206.29471 688.78894
5115.0000 -213.60707 -204.65959 8.94748 2.45902 -205.78984 729.04920
5120.0000 -214.12681 -207.53618 6.59063 2.45721 -205.82512 701.23135
5125.0000 -214.50036 -206.75809 7.74227 2.36301 -207.66044 655.36497
5130.0000 -214.43499 -206.41799 8.01699 2.37887 -207.35149 659.76622
5135.0000 -214.09567 -206.99340 7.10227 2.39975 -206.94464 657.55297
5140.0000 -215.17783 -208.14695 7.03088 2.34917 -207.93010 623.33724
5145.0000 -214.50014 -207.64448 6.85566 2.40524 -206.83760 669.38335
5150.0000 -214.53310 -208.10982 6.42328 2.33460 -208.21405 624.81455
5155.0000 -213.58176 -207.50183 6.07993 2.33490 -208.20806 620.59874
5160.0000 -214.57123 -206.65569 7.91554 2.39815 -206.97573 666.75585
5165.0000 -213.13359 -205.16028 7.97331 2.45298 -205.90760 675.11370
5170.0000 -213.02643 -206.08869 6.93774 2.46073 -205.75649 702.76306
5175.0000 -212.55063 -204.71309 7.83754 2.46743 -205.62597 720.93763
5180.0000 -213.29801 -205.73616 7.56185 2.47691 -205.44136 695.00667
5185.0000 -213.53035 -205.99006 7.54029 2.42877 -206.37923 654.53723
5190.0000 -214.41232 -206.84443 7.56789 2.42934 -206.36813 686.00407
5195.0000 -214.52525 -207.23750 7.28775 2.36742 -207.57446 660.23854
5200.0000 -213.77488 -206.25762 7.51726 2.37008 -207.52271 647.29141
5205.0000 -215.67537 -208.52841 7.14696 2.33118 -208.28064 637.60362
5210.0000 -216.04083 -208.60393 7.43689 2.30569 -208.77717 619.82620
5215.0000 -216.51606 -209.00843 7.50763 2.35513 -207.81400 651.17231
5220.0000 -215.81805 -208.76562 7.05243 2.30818 -208.72877 613.58814
5225.0000 -215.59638 -207.65758 7.93880 2.33213 -208.26217 623.67274
5230.0000 -215.29405 -209.37881 5.91524 2.35154 -207.88390 642.01635
5235.0000 -214.73029 -207.82795 6.90234 2.29658 -208.95468 598.73118
5240.0000 -213.46097 -205.74749 7.71348 2.42769 -206.40029 671.73880
5245.0000 -214.95494 -207.10520 7.84974 2.44271 -206.10765 699.73583
5250.0000 -215.86783 -207.58600 8.28183 2.38575 -207.21746 671.00211
FREEZING PROCESS: loop number 22 T-loop= 636.00000000000000
main_MD> interactions number 22 at Temperature= 636.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.67569 -0.35036 1.71425
force_rgl> df(natom) 3.46269 -0.60179 1.42778
5255.0000 -215.13440 -209.25700 5.87740 2.31958 -208.50662 610.58379
5260.0000 -214.68115 -208.18263 6.49852 2.28936 -209.09535 582.78168
5265.0000 -214.67497 -208.37623 6.29874 2.30947 -208.70360 595.93651
5270.0000 -214.76911 -207.03622 7.73289 2.34461 -208.01899 608.06267
5275.0000 -215.75569 -208.36989 7.38580 2.37482 -207.43040 641.30763
5280.0000 -216.46369 -209.83328 6.63040 2.31101 -208.67349 623.22450
5285.0000 -216.33892 -210.28467 6.05425 2.27977 -209.28231 602.51999
5290.0000 -216.98734 -210.79325 6.19409 2.23305 -210.19253 561.44531
5295.0000 -216.37655 -208.49541 7.88114 2.28781 -209.12564 637.30783
5300.0000 -214.01179 -207.29646 6.71533 2.35787 -207.76051 656.23804
5305.0000 -214.40106 -208.13427 6.26679 2.36895 -207.54470 655.74243
5310.0000 -214.61414 -207.98423 6.62991 2.35139 -207.88686 621.04319
5315.0000 -214.94525 -209.08268 5.86257 2.32163 -208.46662 619.97772
5320.0000 -215.30471 -208.03376 7.27095 2.28646 -209.15197 605.91009
5325.0000 -215.65075 -208.03604 7.61471 2.36230 -207.67425 661.51001
5330.0000 -214.71034 -207.59855 7.11179 2.38416 -207.24838 649.83898
5335.0000 -215.26890 -206.47232 8.79658 2.41441 -206.65901 675.76494
5340.0000 -213.61553 -205.56892 8.04661 2.41595 -206.62895 690.20200
5345.0000 -214.77197 -206.78814 7.98383 2.41320 -206.68255 673.75759
5350.0000 -214.23357 -207.41174 6.82184 2.40184 -206.90388 669.51997
5355.0000 -215.66996 -208.59166 7.07830 2.33600 -208.18659 633.33516
5360.0000 -214.40846 -208.11064 6.29782 2.31182 -208.65781 616.62647
5365.0000 -214.03791 -207.33655 6.70136 2.37401 -207.44603 643.18364
5370.0000 -214.11241 -207.74487 6.36754 2.38487 -207.23454 654.75911
5375.0000 -215.17070 -208.19567 6.97504 2.34614 -207.98906 632.83649
5380.0000 -215.59704 -207.71836 7.87868 2.33085 -208.28702 626.91786
5385.0000 -215.03800 -207.77577 7.26224 2.34167 -208.07629 646.15297
5390.0000 -216.22652 -209.26232 6.96420 2.31740 -208.54917 587.32150
5395.0000 -214.64607 -207.39618 7.24989 2.33559 -208.19471 632.14183
5400.0000 -214.27266 -207.07527 7.19739 2.40202 -206.90031 664.62716
5405.0000 -214.19378 -207.35517 6.83860 2.39037 -207.12736 664.95657
5410.0000 -213.46145 -206.18181 7.27964 2.39084 -207.11820 653.78785
5415.0000 -215.43010 -207.68230 7.74780 2.40343 -206.87285 666.83529
5420.0000 -213.84999 -206.34048 7.50951 2.43206 -206.31518 704.38417
5425.0000 -216.22583 -208.07561 8.15023 2.35660 -207.78531 618.08718
5430.0000 -214.44765 -207.82936 6.61829 2.36208 -207.67861 641.35087
5435.0000 -215.93336 -208.51057 7.42279 2.33363 -208.23285 623.30342
5440.0000 -213.33169 -206.22850 7.10319 2.38486 -207.23478 659.96854
5445.0000 -215.47529 -206.92734 8.54795 2.43475 -206.26275 678.86464
5450.0000 -215.35344 -208.23568 7.11776 2.37150 -207.49506 659.14770
5455.0000 -213.64344 -206.67408 6.96936 2.35392 -207.83763 627.51944
5460.0000 -212.67727 -205.66408 7.01319 2.42115 -206.52770 650.88759
5465.0000 -213.58169 -206.31402 7.26766 2.45899 -205.79046 689.99082
5470.0000 -213.88110 -208.03335 5.84775 2.40763 -206.79103 664.92432
5475.0000 -215.58497 -208.12009 7.46488 2.35081 -207.89816 634.14556
5480.0000 -214.31329 -207.76868 6.54461 2.33081 -208.28783 637.48424
5485.0000 -215.26425 -208.20762 7.05663 2.35652 -207.78693 661.18078
5490.0000 -217.20005 -209.35981 7.84024 2.29942 -208.89946 634.29137
5495.0000 -216.00550 -209.28055 6.72495 2.23673 -210.12072 579.61164
5500.0000 -215.81700 -209.00317 6.81383 2.24267 -210.00510 575.15619
FREEZING PROCESS: loop number 23 T-loop= 611.00000000000000
main_MD> interactions number 23 at Temperature= 611.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09483 -1.69468 0.78747
force_rgl> df(natom) -1.65198 2.87865 -1.54363
5505.0000 -215.75576 -208.75665 6.99911 2.31296 -208.63559 628.28788
5510.0000 -216.96629 -210.68874 6.27755 2.22875 -210.27622 574.76967
5515.0000 -215.78830 -209.28099 6.50732 2.26123 -209.64350 594.06999
5520.0000 -214.49257 -208.56316 5.92940 2.28532 -209.17419 592.79104
5525.0000 -215.10208 -207.81338 7.28870 2.35633 -207.79062 635.24209
5530.0000 -215.21102 -208.32976 6.88127 2.33888 -208.13066 627.71340
5535.0000 -215.14128 -208.88189 6.25938 2.32168 -208.46576 621.85774
5540.0000 -215.50341 -208.95204 6.55137 2.29817 -208.92365 604.56590
5545.0000 -215.52495 -207.73199 7.79296 2.33292 -208.24666 625.05783
5550.0000 -215.09019 -209.15095 5.93924 2.31151 -208.66375 605.74550
5555.0000 -215.97248 -208.50609 7.46639 2.27322 -209.40987 578.90426
5560.0000 -215.93165 -209.14198 6.78967 2.28468 -209.18649 608.82972
5565.0000 -215.26430 -208.86765 6.39666 2.30386 -208.81284 617.51505
5570.0000 -215.28521 -208.31993 6.96528 2.28315 -209.21643 584.16528
5575.0000 -215.41929 -207.68094 7.73835 2.35941 -207.73059 637.00080
5580.0000 -214.41996 -207.19702 7.22294 2.36888 -207.54616 653.99655
5585.0000 -214.72658 -207.45436 7.27222 2.39139 -207.10745 648.55841
5590.0000 -213.57833 -206.48998 7.08835 2.41962 -206.55748 675.21778
5595.0000 -214.14518 -206.32497 7.82021 2.41647 -206.61890 681.86248
5600.0000 -213.83193 -206.09209 7.73983 2.44843 -205.99618 688.70633
5605.0000 -214.44897 -207.59696 6.85201 2.42432 -206.46599 659.07004
5610.0000 -214.56970 -207.18937 7.38033 2.38889 -207.15625 622.36568
5615.0000 -214.76140 -208.46402 6.29738 2.33512 -208.20383 592.31835
5620.0000 -216.26964 -208.64936 7.62029 2.33387 -208.22813 615.83511
5625.0000 -217.04937 -210.06216 6.98721 2.27607 -209.35442 597.16883
5630.0000 -215.93297 -209.28684 6.64613 2.25481 -209.76853 585.40468
5635.0000 -216.19160 -210.02209 6.16950 2.24247 -210.00906 582.19079
5640.0000 -215.47696 -208.91304 6.56391 2.27633 -209.34921 609.76079
5645.0000 -215.78487 -208.55036 7.23451 2.28517 -209.17697 613.47384
5650.0000 -214.60531 -207.68681 6.91850 2.31646 -208.56741 618.97983
5655.0000 -215.36651 -209.35857 6.00794 2.31129 -208.66807 588.30602
5660.0000 -215.32595 -208.54842 6.77753 2.28143 -209.24987 578.26006
5665.0000 -215.50024 -207.96612 7.53412 2.30409 -208.80839 595.63797
5670.0000 -215.29446 -209.26633 6.02813 2.30741 -208.74377 613.70187
5675.0000 -215.34950 -208.97800 6.37150 2.28569 -209.16684 599.28824
5680.0000 -216.41466 -208.92120 7.49345 2.34175 -208.07457 631.09814
5685.0000 -215.82088 -208.68252 7.13836 2.27423 -209.39013 584.61916
5690.0000 -214.35587 -208.83159 5.52427 2.32097 -208.47960 614.65368
5695.0000 -215.47090 -208.86547 6.60543 2.29797 -208.92755 606.46403
5700.0000 -217.38724 -211.14707 6.24018 2.22012 -210.44445 589.97400
5705.0000 -215.92313 -209.73539 6.18773 2.23699 -210.11567 594.01622
5710.0000 -216.16448 -209.70817 6.45631 2.27077 -209.45757 593.45132
5715.0000 -217.49505 -210.59801 6.89704 2.21221 -210.59859 551.12191
5720.0000 -216.21937 -208.92829 7.29108 2.26630 -209.54470 604.69686
5725.0000 -214.80111 -207.21621 7.58489 2.34917 -207.93002 643.63832
5730.0000 -215.73056 -209.11122 6.61934 2.35242 -207.86684 654.68471
5735.0000 -215.99141 -210.01674 5.97466 2.26193 -209.62975 577.82191
5740.0000 -215.79375 -208.93249 6.86126 2.27619 -209.35203 593.39109
5745.0000 -215.72402 -209.75761 5.96641 2.27424 -209.39001 591.95076
5750.0000 -214.64301 -208.72544 5.91757 2.26025 -209.66249 575.35392
FREEZING PROCESS: loop number 24 T-loop= 586.00000000000000
main_MD> interactions number 24 at Temperature= 586.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.13101 0.06663 1.45751
force_rgl> df(natom) -1.64649 -1.86193 2.62411
5755.0000 -216.45745 -210.63325 5.82420 2.24614 -209.93752 558.63510
5760.0000 -216.06519 -209.51876 6.54644 2.23815 -210.09315 564.22266
5765.0000 -216.26190 -210.09640 6.16550 2.25112 -209.84046 593.72739
5770.0000 -216.40553 -209.75299 6.65254 2.28048 -209.26839 621.35549
5775.0000 -217.22052 -210.68969 6.53083 2.24369 -209.98518 599.58836
5780.0000 -217.52728 -211.17625 6.35102 2.21197 -210.60318 579.01500
5785.0000 -217.20763 -210.70645 6.50118 2.20414 -210.75571 584.65676
5790.0000 -216.52537 -210.57410 5.95127 2.21004 -210.64079 575.19301
5795.0000 -216.48885 -210.26988 6.21897 2.22194 -210.40891 568.35720
5800.0000 -216.96591 -210.87721 6.08870 2.26980 -209.47657 592.57659
5805.0000 -217.58153 -211.99784 5.58369 2.17259 -211.37045 528.47851
5810.0000 -217.05494 -211.81587 5.23907 2.14205 -211.96546 500.21770
5815.0000 -215.81580 -208.98784 6.82796 2.23948 -210.06722 550.88073
5820.0000 -215.06774 -208.72010 6.34764 2.32103 -208.47832 609.01722
5825.0000 -216.12679 -209.80263 6.32417 2.28352 -209.20916 592.98106
5830.0000 -215.77666 -209.87643 5.90023 2.25392 -209.78586 571.50076
5835.0000 -215.48322 -208.12463 7.35858 2.26655 -209.53981 601.84304
5840.0000 -214.78876 -208.27915 6.50960 2.29423 -209.00058 614.40318
5845.0000 -215.07320 -207.84859 7.22461 2.34105 -208.08831 645.06297
5850.0000 -213.71504 -207.23490 6.48014 2.35510 -207.81448 648.94874
5855.0000 -214.34217 -207.52957 6.81260 2.36726 -207.57754 638.85189
5860.0000 -214.65979 -207.42792 7.23188 2.37272 -207.47118 665.50788
5865.0000 -215.99426 -208.52480 7.46946 2.34882 -207.93700 643.91611
5870.0000 -215.42704 -208.92122 6.50582 2.28349 -209.20971 598.11892
5875.0000 -215.01971 -208.31665 6.70306 2.31210 -208.65241 603.00141
5880.0000 -215.74014 -209.30937 6.43076 2.28756 -209.13049 589.13739
5885.0000 -216.92731 -210.15581 6.77149 2.23311 -210.19142 564.63049
5890.0000 -215.36508 -209.07952 6.28557 2.26148 -209.63862 563.44841
5895.0000 -215.99249 -209.17765 6.81484 2.26626 -209.54554 565.05118
5900.0000 -216.39818 -210.15557 6.24261 2.23453 -210.16366 574.20205
5905.0000 -215.98333 -209.83844 6.14489 2.25533 -209.75845 586.98065
5910.0000 -215.29946 -208.34052 6.95894 2.30155 -208.85797 610.23039
5915.0000 -215.22608 -207.82231 7.40377 2.33577 -208.19111 622.26725
5920.0000 -216.03204 -209.54190 6.49014 2.30497 -208.79129 602.30157
5925.0000 -216.19255 -209.77934 6.41322 2.24797 -209.90182 577.77603
5930.0000 -216.26156 -209.56924 6.69232 2.27834 -209.31011 578.34481
5935.0000 -213.81557 -207.38810 6.42747 2.30149 -208.85899 594.85497
5940.0000 -216.38654 -209.53189 6.85465 2.36117 -207.69637 662.06975
5945.0000 -215.84823 -210.07909 5.76913 2.26111 -209.64589 601.13036
5950.0000 -217.44750 -210.69953 6.74797 2.21479 -210.54830 576.90346
5955.0000 -215.76342 -209.31677 6.44666 2.22521 -210.34522 576.42972
5960.0000 -215.50449 -208.06021 7.44428 2.34874 -207.93847 640.74533
5965.0000 -216.15172 -209.38031 6.77141 2.32836 -208.33554 637.83900
5970.0000 -216.30294 -208.40616 7.89678 2.27373 -209.39998 619.39381
5975.0000 -216.37200 -209.33094 7.04107 2.28900 -209.10246 616.76064
5980.0000 -216.89184 -210.59124 6.30060 2.23551 -210.14462 576.16843
5985.0000 -216.07271 -209.86352 6.20919 2.20813 -210.67794 570.61372
5990.0000 -217.99013 -210.46731 7.52282 2.24931 -209.87571 598.69020
5995.0000 -217.56877 -210.51789 7.05088 2.22705 -210.30941 587.21371
6000.0000 -215.52952 -209.96479 5.56473 2.22779 -210.29498 561.44366
FREEZING PROCESS: loop number 25 T-loop= 561.00000000000000
main_MD> interactions number 25 at Temperature= 561.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07730 -1.46687 3.50817
force_rgl> df(natom) -1.47912 0.04208 -1.15400
6005.0000 -217.20926 -211.89619 5.31308 2.18345 -211.15885 542.75208
6010.0000 -217.58112 -211.57340 6.00771 2.13262 -212.14926 511.62775
6015.0000 -216.22008 -209.66162 6.55846 2.20297 -210.77859 541.82848
6020.0000 -216.49064 -210.14187 6.34877 2.23969 -210.06313 575.97968
6025.0000 -216.82176 -211.34804 5.47372 2.18121 -211.20258 547.51678
6030.0000 -217.66806 -212.27158 5.39648 2.19147 -211.00257 563.02156
6035.0000 -217.55900 -211.20154 6.35746 2.12176 -212.36089 524.09384
6040.0000 -216.37190 -210.79595 5.57595 2.18883 -211.05414 544.39787
6045.0000 -216.48678 -211.01664 5.47013 2.20377 -210.76303 520.58683
6050.0000 -216.83531 -210.69988 6.13543 2.20221 -210.79338 529.59805
6055.0000 -215.55016 -210.49485 5.05531 2.23118 -210.22895 558.14721
6060.0000 -217.13329 -211.19452 5.93878 2.21495 -210.54511 558.65186
6065.0000 -216.81297 -209.94516 6.86781 2.23218 -210.20947 575.75756
6070.0000 -216.47777 -210.53873 5.93904 2.21221 -210.59854 561.86600
6075.0000 -216.73886 -211.01612 5.72274 2.18442 -211.13989 523.59214
6080.0000 -216.11246 -209.42011 6.69235 2.22217 -210.40444 539.43322
6085.0000 -216.04624 -209.48862 6.55762 2.28978 -209.08727 601.78073
6090.0000 -214.74090 -208.55396 6.18693 2.28284 -209.22238 594.80888
6095.0000 -215.45100 -209.41854 6.03246 2.30155 -208.85790 614.15479
6100.0000 -215.09754 -209.05930 6.03824 2.28583 -209.16417 592.75165
6105.0000 -216.82872 -210.17356 6.65517 2.25603 -209.74477 567.60982
6110.0000 -216.27095 -210.18420 6.08675 2.21796 -210.48641 545.36500
6115.0000 -217.26696 -211.17640 6.09055 2.21851 -210.47582 563.62721
6120.0000 -217.16962 -210.36199 6.80763 2.20727 -210.69479 561.74425
6125.0000 -217.51170 -209.98750 7.52421 2.21180 -210.60653 550.73602
6130.0000 -216.17182 -210.35506 5.81677 2.24535 -209.95285 570.28157
6135.0000 -214.69094 -208.95590 5.73504 2.28640 -209.15303 593.42335
6140.0000 -215.94724 -210.47382 5.47342 2.28798 -209.12236 577.56635
6145.0000 -216.45790 -209.48829 6.96960 2.23303 -210.19291 555.25709
6150.0000 -215.76762 -210.14801 5.61960 2.24865 -209.88858 574.18250
6155.0000 -215.71496 -209.10327 6.61169 2.24939 -209.87420 565.16088
6160.0000 -215.51340 -210.11763 5.39577 2.24651 -209.93028 556.72155
6165.0000 -216.18827 -210.38528 5.80299 2.24190 -210.02006 560.61183
6170.0000 -216.75997 -210.47340 6.28657 2.22313 -210.38569 558.97207
6175.0000 -216.90952 -210.11877 6.79075 2.23030 -210.24614 559.75953
6180.0000 -217.74411 -212.60414 5.13997 2.15144 -211.78257 512.05977
6185.0000 -216.55764 -210.99091 5.56673 2.17224 -211.37729 513.96351
6190.0000 -216.02714 -209.42187 6.60527 2.23037 -210.24471 560.76508
6195.0000 -215.30235 -209.86920 5.43315 2.27319 -209.41038 593.45021
6200.0000 -216.68947 -210.06330 6.62618 2.21555 -210.53340 563.13607
6205.0000 -215.66104 -209.39422 6.26682 2.28184 -209.24186 584.18454
6210.0000 -215.07092 -209.45384 5.61708 2.30309 -208.82782 615.44911
6215.0000 -215.95993 -209.27347 6.68646 2.32018 -208.49500 633.25024
6220.0000 -216.79930 -210.43634 6.36296 2.24486 -209.96239 572.03945
6225.0000 -215.30698 -209.03885 6.26813 2.23992 -210.05859 582.89024
6230.0000 -215.56484 -209.32199 6.24285 2.28194 -209.23988 588.21258
6235.0000 -216.08171 -209.64443 6.43727 2.22412 -210.36650 571.10799
6240.0000 -217.64929 -211.46193 6.18736 2.21687 -210.50768 547.65078
6245.0000 -217.57627 -211.32360 6.25266 2.14623 -211.88413 516.37383
6250.0000 -217.61766 -211.43847 6.17919 2.20585 -210.72250 566.85753
FREEZING PROCESS: loop number 26 T-loop= 536.00000000000000
main_MD> interactions number 26 at Temperature= 536.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10768 0.19892 2.57580
force_rgl> df(natom) 0.62001 -1.66825 2.37431
6255.0000 -217.64169 -211.16742 6.47427 2.19580 -210.91818 562.44459
6260.0000 -217.80960 -212.31834 5.49126 2.11844 -212.42544 505.04293
6265.0000 -217.75561 -211.91869 5.83692 2.13484 -212.10603 528.85376
6270.0000 -217.76670 -211.40383 6.36286 2.16439 -211.53017 553.40144
6275.0000 -216.23573 -210.28604 5.94969 2.20505 -210.73806 582.81482
6280.0000 -218.10696 -212.20193 5.90502 2.20430 -210.75265 561.05057
6285.0000 -218.55557 -211.78056 6.77501 2.11082 -212.57403 505.38456
6290.0000 -217.32465 -211.91398 5.41066 2.14648 -211.87914 531.40724
6295.0000 -218.15127 -212.03622 6.11506 2.16767 -211.46642 553.84836
6300.0000 -217.10189 -211.38934 5.71254 2.17728 -211.27902 535.23341
6305.0000 -216.79556 -211.20286 5.59270 2.20608 -210.71802 548.07930
6310.0000 -217.27400 -211.62444 5.64955 2.18475 -211.13354 543.85547
6315.0000 -217.76918 -212.15753 5.61165 2.13833 -212.03791 519.69054
6320.0000 -216.80356 -211.07650 5.72707 2.18327 -211.16232 548.60256
6325.0000 -218.34425 -212.48501 5.85924 2.15469 -211.71929 547.37371
6330.0000 -218.26336 -212.71948 5.54389 2.11283 -212.53474 527.95943
6335.0000 -218.53358 -213.35074 5.18284 2.05655 -213.63137 499.13239
6340.0000 -218.52606 -212.74354 5.78252 2.07478 -213.27624 526.61129
6345.0000 -219.36644 -212.95762 6.40882 2.11904 -212.41384 545.11456
6350.0000 -219.20244 -212.62417 6.57827 2.09761 -212.83142 538.24299
6355.0000 -218.67196 -212.97339 5.69858 2.10194 -212.74693 532.62464
6360.0000 -216.55331 -211.26568 5.28762 2.13403 -212.12172 541.73221
6365.0000 -216.51847 -210.13181 6.38665 2.23662 -210.12298 569.27281
6370.0000 -216.46270 -209.86165 6.60105 2.23545 -210.14584 538.34428
6375.0000 -217.86210 -212.49556 5.36654 2.17993 -211.22751 493.76938
6380.0000 -216.53060 -210.93472 5.59588 2.15256 -211.76074 501.29382
6385.0000 -216.40554 -210.81932 5.58622 2.22156 -210.41632 563.21024
6390.0000 -216.94088 -211.08413 5.85674 2.18080 -211.21053 540.18339
6395.0000 -217.59296 -211.35798 6.23498 2.17810 -211.26320 553.19337
6400.0000 -217.52500 -210.63410 6.89090 2.18521 -211.12458 563.86215
6405.0000 -217.66435 -211.08153 6.58282 2.17855 -211.25428 554.80450
6410.0000 -217.62224 -212.69450 4.92774 2.15114 -211.78838 527.50197
6415.0000 -217.48128 -211.75486 5.72642 2.11236 -212.54404 500.55158
6420.0000 -217.05233 -211.11728 5.93504 2.17805 -211.26403 564.35413
6425.0000 -217.99566 -211.90482 6.09084 2.15253 -211.76130 547.61615
6430.0000 -218.35862 -212.30726 6.05137 2.16533 -211.51195 551.74196
6435.0000 -218.71252 -212.33664 6.37588 2.12650 -212.26851 530.26784
6440.0000 -218.92725 -213.43303 5.49422 2.10684 -212.65150 521.61237
6445.0000 -218.08619 -212.48634 5.59985 2.06366 -213.49273 486.85162
6450.0000 -218.13404 -212.99083 5.14321 2.07347 -213.30174 499.30675
6455.0000 -218.85043 -212.96357 5.88686 2.08944 -212.99053 506.39439
6460.0000 -218.14426 -213.10378 5.04048 2.10507 -212.68595 502.19577
6465.0000 -217.99294 -211.91446 6.07847 2.16573 -211.50403 546.96018
6470.0000 -217.78246 -211.65205 6.13041 2.14715 -211.86616 522.39269
6475.0000 -216.46653 -210.34538 6.12115 2.16761 -211.46752 533.94340
6480.0000 -216.73142 -211.26993 5.46149 2.22535 -210.34259 557.27018
6485.0000 -217.38055 -211.92788 5.45268 2.17713 -211.28197 520.38541
6490.0000 -217.63496 -211.95209 5.68287 2.15624 -211.68895 514.14066
6495.0000 -217.51533 -211.61612 5.89922 2.14571 -211.89419 520.88649
6500.0000 -217.27062 -211.10612 6.16450 2.15842 -211.64651 541.95174
FREEZING PROCESS: loop number 27 T-loop= 511.00000000000000
main_MD> interactions number 27 at Temperature= 511.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.69410 5.28415 -1.98320
force_rgl> df(natom) 2.89122 1.28554 1.77222
6505.0000 -216.08342 -209.43426 6.64916 2.23442 -210.16576 603.17632
6510.0000 -217.22237 -211.07478 6.14759 2.21525 -210.53922 563.58979
6515.0000 -218.09774 -212.00615 6.09159 2.15640 -211.68599 520.98244
6520.0000 -218.31178 -212.98476 5.32702 2.13537 -212.09564 501.69056
6525.0000 -218.82827 -212.57640 6.25187 2.12117 -212.37229 504.00072
6530.0000 -217.46813 -210.64230 6.82584 2.19727 -210.88966 569.89633
6535.0000 -218.74621 -213.17041 5.57580 2.14693 -211.87051 528.86745
6540.0000 -217.46484 -212.09406 5.37078 2.12080 -212.37950 507.45186
6545.0000 -217.63556 -212.03325 5.60232 2.16637 -211.49163 531.15804
6550.0000 -217.63211 -212.36416 5.26795 2.13058 -212.18896 489.88807
6555.0000 -217.98062 -211.99777 5.98285 2.12266 -212.34319 480.07879
6560.0000 -217.56603 -212.69135 4.87468 2.09024 -212.97489 464.79166
6565.0000 -217.89954 -211.58450 6.31505 2.14394 -211.92873 511.49898
6570.0000 -217.96178 -212.13013 5.83165 2.11488 -212.49481 504.31223
6575.0000 -218.18597 -212.12514 6.06083 2.11857 -212.42297 504.76315
6580.0000 -217.62849 -212.57260 5.05589 2.11530 -212.48677 485.75846
6585.0000 -218.20197 -212.74046 5.46151 2.11433 -212.50551 500.53666
6590.0000 -219.40243 -213.46243 5.94000 2.09371 -212.90723 506.76049
6595.0000 -217.26765 -211.55580 5.71185 2.10448 -212.69753 492.63474
6600.0000 -217.91697 -211.56008 6.35689 2.15856 -211.64391 534.08672
6605.0000 -216.59681 -210.52476 6.07205 2.16745 -211.47055 541.96191
6610.0000 -218.05071 -212.36903 5.68169 2.13081 -212.18448 529.98482
6615.0000 -217.90586 -212.57959 5.32627 2.12948 -212.21039 532.16813
6620.0000 -217.91459 -211.83482 6.07976 2.12164 -212.36313 507.24134
6625.0000 -217.36613 -211.41703 5.94909 2.15932 -211.62900 520.51307
6630.0000 -218.15083 -212.92615 5.22468 2.11873 -212.41991 496.68394
6635.0000 -218.47675 -212.80593 5.67082 2.12797 -212.23983 506.87948
6640.0000 -217.56529 -212.00465 5.56064 2.12558 -212.28630 512.78032
6645.0000 -217.17285 -211.72521 5.44765 2.11181 -212.55476 497.62159
6650.0000 -218.52674 -212.95068 5.57606 2.14265 -211.95388 521.79523
6655.0000 -217.30668 -211.67736 5.62932 2.10470 -212.69312 485.01037
6660.0000 -216.89683 -211.74440 5.15243 2.17134 -211.39482 529.49282
6665.0000 -217.87738 -211.07000 6.80738 2.15841 -211.64669 521.47400
6670.0000 -217.52314 -211.37079 6.15236 2.18226 -211.18204 552.58431
6675.0000 -217.67633 -212.17671 5.49962 2.17344 -211.35384 535.37656
6680.0000 -217.71430 -211.36699 6.34731 2.15213 -211.76916 507.61489
6685.0000 -217.76424 -212.45895 5.30528 2.15668 -211.68054 499.37292
6690.0000 -218.26047 -211.64388 6.61659 2.13927 -212.01957 508.02043
6695.0000 -217.96029 -211.80600 6.15429 2.15264 -211.75922 523.47412
6700.0000 -217.88871 -212.23357 5.65515 2.13574 -212.08837 490.13412
6705.0000 -217.82715 -211.89345 5.93370 2.14508 -211.90648 501.89951
6710.0000 -217.99423 -211.27669 6.71754 2.16079 -211.60034 520.00836
6715.0000 -216.55895 -211.60398 4.95497 2.15573 -211.69902 528.18014
6720.0000 -216.84072 -211.10817 5.73254 2.15254 -211.76121 517.05839
6725.0000 -217.40566 -211.68169 5.72397 2.16370 -211.54366 530.09469
6730.0000 -216.97053 -211.55177 5.41876 2.13315 -212.13893 500.95800
6735.0000 -218.51509 -212.90283 5.61225 2.11618 -212.46945 485.12277
6740.0000 -217.80312 -212.35792 5.44520 2.10432 -212.70059 483.88621
6745.0000 -218.13840 -212.76024 5.37817 2.12282 -212.34024 483.27327
6750.0000 -218.04791 -211.70950 6.33842 2.16618 -211.49545 530.04396
FREEZING PROCESS: loop number 28 T-loop= 486.00000000000000
main_MD> interactions number 28 at Temperature= 486.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22488 3.57459 -0.70790
force_rgl> df(natom) -1.87669 0.68205 1.36091
6755.0000 -216.08819 -210.79940 5.28879 2.16398 -211.53829 512.75160
6760.0000 -218.03109 -211.65187 6.37923 2.18657 -211.09807 526.31869
6765.0000 -217.81114 -212.15707 5.65407 2.13688 -212.06623 500.87097
6770.0000 -218.91340 -213.66907 5.24433 2.08835 -213.01181 487.28674
6775.0000 -218.56590 -212.96318 5.60272 2.06516 -213.46352 475.99067
6780.0000 -218.84032 -214.09802 4.74231 2.05941 -213.57563 472.04093
6785.0000 -219.15463 -213.85697 5.29767 2.04104 -213.93346 448.15115
6790.0000 -217.97351 -213.34909 4.62442 2.09964 -212.79179 497.64582
6795.0000 -218.95923 -213.74342 5.21581 2.06004 -213.56334 475.06115
6800.0000 -218.71218 -213.21553 5.49665 2.04697 -213.81799 463.24225
6805.0000 -218.66443 -212.38979 6.27464 2.09244 -212.93205 496.83410
6810.0000 -218.39505 -213.03220 5.36286 2.11170 -212.55683 505.57879
6815.0000 -218.97227 -213.40109 5.57118 2.06607 -213.44587 469.75293
6820.0000 -219.44250 -214.13868 5.30381 2.04360 -213.88373 466.49607
6825.0000 -219.55881 -213.81515 5.74366 2.03322 -214.08582 473.47374
6830.0000 -219.30913 -213.62105 5.68808 2.04546 -213.84731 480.38049
6835.0000 -218.93134 -213.86389 5.06745 2.05787 -213.60567 469.21221
6840.0000 -218.31353 -213.04334 5.27018 2.08274 -213.12100 484.72927
6845.0000 -218.32034 -212.99207 5.32827 2.09480 -212.88615 502.53373
6850.0000 -217.15126 -212.36470 4.78655 2.11121 -212.56633 479.92002
6855.0000 -218.23879 -212.61143 5.62736 2.10392 -212.70833 497.55470
6860.0000 -218.00577 -212.53864 5.46713 2.09365 -212.90852 494.28712
6865.0000 -218.16927 -211.94606 6.22321 2.11281 -212.53527 512.79717
6870.0000 -219.37371 -213.48232 5.89139 2.09087 -212.96263 499.02524
6875.0000 -219.85954 -214.69673 5.16281 2.01260 -214.48770 446.05030
6880.0000 -218.51161 -212.85696 5.65464 2.03948 -213.96399 469.39397
6885.0000 -219.13692 -212.73794 6.39899 2.07215 -213.32730 494.60328
6890.0000 -219.03608 -212.59547 6.44062 2.08642 -213.04931 493.26267
6895.0000 -218.63211 -212.73111 5.90099 2.11016 -212.58688 514.14830
6900.0000 -218.09821 -211.69746 6.40075 2.12632 -212.27189 533.32828
6905.0000 -217.51671 -211.12385 6.39286 2.16757 -211.46822 566.71611
6910.0000 -219.20059 -213.73641 5.46419 2.11601 -212.47277 533.93720
6915.0000 -219.81055 -215.15954 4.65101 1.99279 -214.87361 440.09235
6920.0000 -219.03044 -213.67366 5.35678 2.02786 -214.19037 459.17621
6925.0000 -218.83166 -213.97794 4.85372 2.05412 -213.67874 484.16731
6930.0000 -218.26286 -212.91924 5.34362 2.05319 -213.69678 475.63815
6935.0000 -218.89406 -214.12076 4.77330 2.04691 -213.81924 458.57022
6940.0000 -218.80777 -214.48332 4.32445 2.04106 -213.93313 454.55044
6945.0000 -218.87739 -213.45322 5.42418 2.05826 -213.59805 470.25163
6950.0000 -219.41814 -213.35892 6.05922 2.07876 -213.19852 500.33817
6955.0000 -217.68685 -212.48998 5.19687 2.07056 -213.35843 479.12562
6960.0000 -219.33782 -213.95116 5.38666 2.05670 -213.62847 464.80838
6965.0000 -219.32070 -213.79224 5.52846 2.04672 -213.82279 455.45979
6970.0000 -218.88814 -213.38159 5.50655 2.04190 -213.91676 464.03442
6975.0000 -219.33420 -213.71747 5.61673 2.04361 -213.88352 459.38312
6980.0000 -219.26478 -213.59223 5.67256 2.03506 -214.04997 457.20827
6985.0000 -219.03569 -213.90814 5.12755 2.05377 -213.68551 479.18659
6990.0000 -218.42993 -213.40708 5.02285 2.06952 -213.37867 487.23519
6995.0000 -219.03248 -214.00924 5.02325 2.04842 -213.78981 483.60619
7000.0000 -218.59849 -213.57615 5.02234 2.05041 -213.75089 477.23319
FREEZING PROCESS: loop number 29 T-loop= 461.00000000000000
main_MD> interactions number 29 at Temperature= 461.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.86824 -0.56684 2.42697
force_rgl> df(natom) 0.06786 3.58985 0.96521
7005.0000 -219.77696 -214.93508 4.84188 2.02006 -214.34235 456.83510
7010.0000 -218.05872 -213.69670 4.36202 2.03224 -214.10502 454.30040
7015.0000 -218.63666 -214.09864 4.53801 2.05594 -213.64327 470.86058
7020.0000 -219.37346 -213.56337 5.81009 2.04099 -213.93445 454.54157
7025.0000 -219.40474 -214.67197 4.73277 2.00936 -214.55077 429.52921
7030.0000 -218.63581 -213.97041 4.66540 2.03085 -214.13209 444.88301
7035.0000 -218.73721 -213.08588 5.65133 2.05248 -213.71059 463.60924
7040.0000 -219.28436 -213.45701 5.82735 2.05429 -213.67538 475.92158
7045.0000 -219.14173 -214.33300 4.80873 2.03158 -214.11774 462.49845
7050.0000 -219.46902 -213.26515 6.20388 2.02508 -214.24453 458.04681
7055.0000 -218.68904 -213.15811 5.53093 2.06458 -213.47490 492.58151
7060.0000 -219.64218 -214.18836 5.45382 2.06678 -213.43199 501.78469
7065.0000 -219.12771 -213.70359 5.42412 2.02742 -214.19897 469.08320
7070.0000 -219.81952 -214.57231 5.24721 2.01838 -214.37510 458.13902
7075.0000 -218.91382 -213.89638 5.01745 2.02155 -214.31325 466.83613
7080.0000 -220.00061 -215.25804 4.74257 2.00533 -214.62934 454.43869
7085.0000 -220.05961 -215.53780 4.52180 1.98455 -215.03407 443.06524
7090.0000 -219.31655 -213.86561 5.45094 2.00209 -214.69245 453.35864
7095.0000 -219.14137 -213.65660 5.48478 2.06383 -213.48947 492.27627
7100.0000 -219.33977 -213.94417 5.39560 2.01894 -214.36412 465.35672
7105.0000 -218.95838 -214.01224 4.94614 2.02363 -214.27279 471.20540
7110.0000 -219.02060 -213.84639 5.17421 2.04505 -213.85541 483.57920
7115.0000 -219.95218 -215.28348 4.66871 1.98426 -215.03972 436.30566
7120.0000 -219.80747 -214.96610 4.84137 1.98035 -215.11592 429.81290
7125.0000 -219.87803 -214.60855 5.26948 1.99503 -214.83000 447.24988
7130.0000 -218.89611 -213.97475 4.92137 2.03762 -214.00007 479.09300
7135.0000 -219.85729 -214.10069 5.75660 2.03519 -214.04743 477.19510
7140.0000 -219.99987 -214.91996 5.07991 2.00593 -214.61768 464.14104
7145.0000 -220.02402 -215.25406 4.76996 1.97118 -215.29464 439.26725
7150.0000 -221.00021 -215.13303 5.86718 1.97443 -215.23131 437.89772
7155.0000 -219.41063 -214.39497 5.01565 1.98378 -215.04906 447.14463
7160.0000 -218.87918 -214.29047 4.58871 2.01055 -214.52763 466.09479
7165.0000 -219.89956 -214.60920 5.29036 2.00794 -214.57845 462.60172
7170.0000 -219.62903 -214.96295 4.66608 1.99231 -214.88300 455.45825
7175.0000 -219.39977 -214.12862 5.27116 2.00659 -214.60476 466.68076
7180.0000 -219.13123 -213.85316 5.27807 2.01640 -214.41355 471.72768
7185.0000 -219.72363 -214.90075 4.82288 2.01608 -214.41990 459.75971
7190.0000 -219.92898 -215.10374 4.82524 1.98583 -215.00916 438.62448
7195.0000 -219.47224 -214.57349 4.89875 1.98729 -214.98083 430.15145
7200.0000 -220.41361 -214.77497 5.63864 1.99430 -214.84412 450.78055
7205.0000 -219.88729 -214.73053 5.15677 2.00076 -214.71834 455.86716
7210.0000 -219.82833 -214.95862 4.86971 1.98773 -214.97226 458.18305
7215.0000 -219.37956 -214.45987 4.91969 1.99832 -214.76580 458.78437
7220.0000 -219.74495 -214.04887 5.69608 2.04773 -213.80325 491.61253
7225.0000 -220.31195 -215.35333 4.95862 2.00774 -214.58227 464.29388
7230.0000 -220.12838 -214.84484 5.28354 1.97595 -215.20161 441.12121
7235.0000 -219.42714 -214.46360 4.96354 1.98917 -214.94409 446.52270
7240.0000 -219.71628 -215.08615 4.63012 1.97992 -215.12437 444.91949
7245.0000 -220.43102 -215.16759 5.26343 1.97035 -215.31080 442.05605
7250.0000 -219.67296 -214.50708 5.16588 1.98780 -214.97089 452.52733
FREEZING PROCESS: loop number 30 T-loop= 436.00000000000000
main_MD> interactions number 30 at Temperature= 436.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.95497 2.75195 0.21513
force_rgl> df(natom) 2.09717 -0.43162 3.06608
7255.0000 -220.79802 -215.50007 5.29796 1.95796 -215.55212 432.66082
7260.0000 -220.69360 -215.91291 4.78069 1.93772 -215.94655 418.34283
7265.0000 -220.13989 -215.57503 4.56485 1.97253 -215.26836 436.09537
7270.0000 -220.18656 -215.58877 4.59779 1.95731 -215.56494 431.01853
7275.0000 -220.09423 -215.19594 4.89829 1.96570 -215.40133 437.22395
7280.0000 -220.83942 -215.36732 5.47210 1.98459 -215.03329 446.55706
7285.0000 -220.15006 -214.95484 5.19522 1.97800 -215.16173 420.88238
7290.0000 -219.12323 -214.09847 5.02476 2.01793 -214.38374 452.04334
7295.0000 -219.04103 -213.81717 5.22387 2.04472 -213.86191 461.50485
7300.0000 -219.54923 -214.61923 4.93000 2.03452 -214.06064 453.60505
7305.0000 -219.33007 -214.92206 4.40801 1.99920 -214.74870 429.77869
7310.0000 -220.40484 -215.42418 4.98066 1.98240 -215.07611 429.79535
7315.0000 -220.49869 -216.07502 4.42367 1.93994 -215.90333 407.30855
7320.0000 -220.47955 -215.69131 4.78825 1.92921 -216.11244 398.83808
7325.0000 -220.47695 -215.77082 4.70613 1.94811 -215.74410 418.47807
7330.0000 -220.19292 -215.13478 5.05814 1.96162 -215.48099 421.34699
7335.0000 -219.61925 -214.45147 5.16778 1.98904 -214.94656 446.25241
7340.0000 -219.12990 -214.33640 4.79350 1.99738 -214.78418 442.87063
7345.0000 -220.32623 -215.31539 5.01083 1.98676 -214.99110 443.43688
7350.0000 -220.09781 -215.31207 4.78575 1.97440 -215.23190 436.32210
7355.0000 -219.81365 -215.04082 4.77283 1.98521 -215.02133 440.67808
7360.0000 -220.18167 -215.36558 4.81610 1.98942 -214.93926 445.02846
7365.0000 -220.99863 -215.56174 5.43689 1.97167 -215.28509 414.27411
7370.0000 -219.80424 -214.81383 4.99041 1.98083 -215.10660 443.54631
7375.0000 -219.63054 -214.79188 4.83866 1.98674 -214.99153 449.40489
7380.0000 -220.51900 -215.63899 4.88001 1.96944 -215.32844 436.66619
7385.0000 -219.83985 -215.54593 4.29392 1.93934 -215.91491 410.50568
7390.0000 -219.58966 -214.86358 4.72607 1.99304 -214.86870 451.44235
7395.0000 -221.47459 -216.52061 4.95398 1.95396 -215.63015 429.84340
7400.0000 -220.72185 -215.36152 5.36033 1.94750 -215.75602 418.71772
7405.0000 -220.90440 -215.70466 5.19974 1.93930 -215.91574 410.36596
7410.0000 -220.50577 -215.95504 4.55073 1.93076 -216.08224 407.59867
7415.0000 -219.97275 -214.92808 5.04466 1.97027 -215.31239 439.76096
7420.0000 -220.29939 -215.59314 4.70625 1.95017 -215.70406 413.83063
7425.0000 -220.39155 -215.61710 4.77444 1.97770 -215.16757 439.63686
7430.0000 -220.00486 -215.77191 4.23295 1.98099 -215.10341 443.61405
7435.0000 -220.08890 -215.69650 4.39239 1.95045 -215.69853 417.29388
7440.0000 -219.52685 -215.35800 4.16885 1.93085 -216.08040 405.36726
7445.0000 -220.32024 -215.37753 4.94271 1.96944 -215.32858 428.40218
7450.0000 -219.67259 -214.91381 4.75878 1.98222 -215.07957 434.09125
7455.0000 -220.09521 -215.48445 4.61076 1.96058 -215.50120 420.29013
7460.0000 -219.90860 -215.34176 4.56684 1.95256 -215.65741 414.52132
7465.0000 -219.89633 -215.82511 4.07122 1.96059 -215.50105 412.92169
7470.0000 -220.29340 -216.43662 3.85678 1.93305 -216.03763 399.24497
7475.0000 -220.29718 -216.24317 4.05401 1.90882 -216.50957 380.07558
7480.0000 -220.40790 -215.53199 4.87591 1.92410 -216.21188 388.84746
7485.0000 -219.87171 -215.37727 4.49444 1.94333 -215.83720 406.74701
7490.0000 -219.69913 -215.10946 4.58967 1.99381 -214.85376 437.98154
7495.0000 -220.36698 -215.17808 5.18890 1.97204 -215.27790 434.87813
7500.0000 -220.44510 -215.76938 4.67572 1.97198 -215.27899 432.84381
FREEZING PROCESS: loop number 31 T-loop= 411.00000000000000
main_MD> interactions number 31 at Temperature= 411.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51813 -0.94884 -0.40765
force_rgl> df(natom) -0.36682 -0.66676 -0.44894
7505.0000 -220.44743 -215.48649 4.96094 1.95019 -215.70355 415.69786
7510.0000 -219.70621 -214.70158 5.00463 1.98525 -215.02042 439.31639
7515.0000 -220.39221 -215.92793 4.46429 1.96394 -215.43560 427.47562
7520.0000 -220.31092 -216.00919 4.30172 1.93167 -216.06452 405.87342
7525.0000 -221.18891 -217.32450 3.86441 1.91583 -216.37302 387.66074
7530.0000 -220.08412 -215.20298 4.88113 1.94246 -215.85429 408.13407
7535.0000 -219.58320 -214.45567 5.12753 1.96785 -215.35948 427.87883
7540.0000 -220.77078 -215.76451 5.00628 1.96666 -215.38263 427.74022
7545.0000 -219.89406 -215.41552 4.47855 1.95568 -215.59662 417.12144
7550.0000 -219.24543 -214.43251 4.81292 1.96741 -215.36806 432.14522
7555.0000 -219.23114 -214.03456 5.19658 1.99459 -214.83861 445.35715
7560.0000 -220.43815 -216.04696 4.39119 1.95407 -215.62799 422.46448
7565.0000 -221.08111 -215.84629 5.23482 1.93286 -216.04121 405.71076
7570.0000 -220.00383 -216.00959 3.99424 1.94847 -215.73714 412.87605
7575.0000 -220.69993 -215.91599 4.78394 1.93588 -215.98249 403.28585
7580.0000 -219.86085 -216.25261 3.60824 1.93640 -215.97234 398.34877
7585.0000 -220.65399 -216.65641 3.99759 1.91382 -216.41216 373.64686
7590.0000 -220.66431 -216.22457 4.43974 1.93173 -216.06325 397.14038
7595.0000 -220.51610 -215.47922 5.03688 1.94397 -215.82470 405.02294
7600.0000 -219.81818 -215.50501 4.31317 1.98110 -215.10137 428.25112
7605.0000 -219.40613 -214.63801 4.76812 1.98132 -215.09711 429.33255
7610.0000 -219.46374 -214.44401 5.01973 2.00642 -214.60807 439.20118
7615.0000 -219.26778 -214.73357 4.53421 2.01659 -214.40998 435.97928
7620.0000 -220.30527 -215.76902 4.53625 1.96401 -215.43427 412.02014
7625.0000 -219.20284 -214.29298 4.90985 1.97751 -215.17136 422.37711
7630.0000 -219.67938 -214.83272 4.84666 2.00169 -214.70026 440.65946
7635.0000 -219.60760 -215.56587 4.04173 1.98168 -215.09000 405.41171
7640.0000 -220.72804 -216.20368 4.52437 1.94527 -215.79951 392.17879
7645.0000 -220.21853 -215.52310 4.69542 1.95241 -215.66040 410.95047
7650.0000 -220.52687 -216.14245 4.38443 1.95440 -215.62150 410.07083
7655.0000 -220.13791 -215.13867 4.99924 1.97873 -215.14757 431.33841
7660.0000 -219.82800 -215.46385 4.36415 1.97260 -215.26693 427.02805
7665.0000 -220.83663 -216.04742 4.78921 1.96491 -215.41676 420.66127
7670.0000 -220.02907 -215.53558 4.49349 1.96452 -215.42442 413.68161
7675.0000 -221.09542 -215.60357 5.49185 1.95185 -215.67132 412.25560
7680.0000 -219.41050 -215.11258 4.29791 1.96130 -215.48704 418.39293
7685.0000 -219.92959 -214.90008 5.02951 1.97121 -215.29404 426.39658
7690.0000 -218.97654 -214.40638 4.57016 1.99563 -214.81828 438.29462
7695.0000 -218.64374 -213.96916 4.67458 2.01968 -214.34972 434.06973
7700.0000 -219.47442 -215.19115 4.28327 1.99117 -214.90517 422.99291
7705.0000 -219.77559 -215.01036 4.76523 1.97312 -215.25681 405.84768
7710.0000 -220.14943 -216.59916 3.55027 1.92508 -216.19281 375.91618
7715.0000 -220.07691 -215.42651 4.65040 1.93132 -216.07122 378.31654
7720.0000 -219.65743 -215.32604 4.33139 2.00112 -214.71134 430.76613
7725.0000 -220.09578 -215.84746 4.24832 1.96244 -215.46485 411.10389
7730.0000 -219.65195 -215.45789 4.19406 1.93810 -215.93924 389.72918
7735.0000 -220.47737 -216.27784 4.19953 1.94076 -215.88725 394.67974
7740.0000 -220.57853 -216.32053 4.25800 1.93887 -215.92423 389.94172
7745.0000 -220.47239 -215.92803 4.54436 1.92606 -216.17377 383.07933
7750.0000 -220.11897 -215.39576 4.72321 1.94625 -215.78042 402.62560
FREEZING PROCESS: loop number 32 T-loop= 386.00000000000000
main_MD> interactions number 32 at Temperature= 386.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36455 1.02918 -0.04185
force_rgl> df(natom) -1.48445 -0.56191 1.02893
7755.0000 -220.76524 -216.16010 4.60514 1.94175 -215.86801 413.26112
7760.0000 -221.19498 -216.77724 4.41773 1.92679 -216.15948 398.23398
7765.0000 -220.28268 -215.55148 4.73119 1.93382 -216.02261 404.81109
7770.0000 -220.52724 -216.47846 4.04878 1.92310 -216.23145 395.33098
7775.0000 -220.85445 -216.74270 4.11175 1.92821 -216.13189 405.13959
7780.0000 -220.91537 -216.76697 4.14840 1.90087 -216.66456 383.69432
7785.0000 -220.85115 -216.82075 4.03039 1.89033 -216.86989 374.13217
7790.0000 -221.00785 -217.62385 3.38400 1.86932 -217.27920 359.32694
7795.0000 -221.43191 -216.68192 4.74999 1.86187 -217.42439 350.90286
7800.0000 -221.27589 -216.87567 4.40022 1.89733 -216.73341 378.52596
7805.0000 -220.90081 -216.60368 4.29714 1.90188 -216.64475 384.76350
7810.0000 -221.05551 -217.05166 4.00385 1.88141 -217.04358 373.83130
7815.0000 -220.92335 -216.69893 4.22442 1.88575 -216.95907 376.40921
7820.0000 -220.91308 -216.62526 4.28782 1.88898 -216.89615 378.54412
7825.0000 -220.41357 -216.53494 3.87863 1.88739 -216.92722 370.71213
7830.0000 -220.64967 -216.62647 4.02320 1.91156 -216.45614 393.70522
7835.0000 -221.11774 -217.62653 3.49121 1.87651 -217.13915 361.69641
7840.0000 -220.91700 -217.08226 3.83474 1.87965 -217.07800 364.26257
7845.0000 -221.22145 -216.95143 4.27002 1.87842 -217.10184 368.69874
7850.0000 -221.29155 -217.35357 3.93797 1.86218 -217.41833 352.72685
7855.0000 -220.68796 -216.27771 4.41025 1.90499 -216.58430 384.98075
7860.0000 -221.06557 -216.89956 4.16601 1.91200 -216.44772 389.19699
7865.0000 -220.88487 -216.33589 4.54898 1.89652 -216.74933 382.85601
7870.0000 -220.07782 -215.94158 4.13624 1.93879 -215.92576 415.76939
7875.0000 -220.96969 -216.43563 4.53406 1.90139 -216.65437 382.41503
7880.0000 -221.01868 -216.99423 4.02445 1.88988 -216.87855 372.78945
7885.0000 -220.15235 -215.67942 4.47292 1.91405 -216.40781 394.65514
7890.0000 -220.42069 -216.09359 4.32709 1.94047 -215.89305 415.45554
7895.0000 -221.16316 -216.49533 4.66783 1.91139 -216.45952 386.63793
7900.0000 -220.23418 -216.20051 4.03367 1.94513 -215.80213 410.47575
7905.0000 -220.88294 -216.57600 4.30694 1.92357 -216.22228 376.13399
7910.0000 -220.44188 -216.35080 4.09107 1.90610 -216.56258 366.49296
7915.0000 -220.23936 -216.38045 3.85890 1.89679 -216.74392 370.24975
7920.0000 -221.14489 -217.29272 3.85217 1.89881 -216.70469 369.09756
7925.0000 -220.30436 -215.63201 4.67236 1.91291 -216.42996 391.89190
7930.0000 -220.54958 -216.85209 3.69749 1.92832 -216.12976 399.34351
7935.0000 -220.59398 -216.48297 4.11102 1.89637 -216.75221 372.68466
7940.0000 -220.54677 -216.89118 3.65560 1.90885 -216.50907 387.35323
7945.0000 -220.41513 -216.34473 4.07040 1.88936 -216.88880 365.67095
7950.0000 -221.00209 -216.29900 4.70309 1.91771 -216.33646 368.94560
7955.0000 -220.65904 -216.55409 4.10495 1.91721 -216.34607 380.18337
7960.0000 -221.20108 -215.94866 5.25242 1.92772 -216.14129 389.55059
7965.0000 -220.72839 -216.71802 4.01037 1.91342 -216.41992 387.39873
7970.0000 -221.01358 -217.37384 3.63974 1.86510 -217.36146 349.74828
7975.0000 -220.53136 -215.69825 4.83311 1.89973 -216.68678 374.22791
7980.0000 -220.82025 -216.47954 4.34071 1.93293 -216.03982 401.48170
7985.0000 -220.73693 -216.33953 4.39741 1.92249 -216.24332 389.19978
7990.0000 -220.73344 -215.93945 4.79399 1.93742 -215.95248 404.89405
7995.0000 -220.98342 -216.98178 4.00164 1.90642 -216.55636 385.03407
8000.0000 -220.56728 -216.57591 3.99137 1.89006 -216.87512 368.33815
FREEZING PROCESS: loop number 33 T-loop= 361.00000000000000
main_MD> interactions number 33 at Temperature= 361.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.32510 -1.92368 -0.87704
force_rgl> df(natom) 2.41796 -0.36033 0.86896
8005.0000 -220.80945 -216.72700 4.08245 1.88059 -217.05956 361.26237
8010.0000 -220.43161 -216.33866 4.09295 1.93149 -216.06785 398.49340
8015.0000 -221.08693 -217.00313 4.08380 1.88598 -216.95470 365.82967
8020.0000 -221.67182 -217.46764 4.20418 1.87335 -217.20069 353.23849
8025.0000 -220.18993 -216.27140 3.91854 1.88713 -216.93219 367.60580
8030.0000 -220.79200 -216.74775 4.04425 1.89224 -216.83264 369.81344
8035.0000 -221.28655 -216.68540 4.60115 1.90560 -216.57241 377.69690
8040.0000 -221.80148 -217.96357 3.83791 1.85918 -217.47687 342.43248
8045.0000 -221.31458 -216.89483 4.41974 1.87024 -217.26129 359.41490
8050.0000 -220.67682 -215.87504 4.80178 1.91319 -216.42439 384.94727
8055.0000 -221.42045 -217.11555 4.30489 1.89264 -216.82484 365.87631
8060.0000 -221.41333 -217.88938 3.52395 1.87403 -217.18743 357.53117
8065.0000 -221.15500 -217.31737 3.83764 1.84255 -217.80073 329.35859
8070.0000 -221.33008 -217.73913 3.59095 1.85745 -217.51041 340.90592
8075.0000 -221.21972 -217.18545 4.03427 1.87005 -217.26495 347.58186
8080.0000 -220.87873 -216.57440 4.30433 1.87728 -217.12411 361.93155
8085.0000 -221.30243 -217.20749 4.09494 1.90869 -216.51218 383.76498
8090.0000 -221.99463 -218.09362 3.90101 1.86447 -217.37378 346.07001
8095.0000 -221.22892 -217.77913 3.44979 1.81130 -218.40965 306.35212
8100.0000 -220.95718 -217.06944 3.88775 1.87167 -217.23339 351.81588
8105.0000 -221.34068 -217.55052 3.79016 1.87535 -217.16168 354.42869
8110.0000 -220.69599 -216.62550 4.07049 1.89296 -216.81855 370.60023
8115.0000 -220.57874 -216.72943 3.84931 1.89301 -216.81774 365.79831
8120.0000 -220.58538 -216.72467 3.86071 1.88974 -216.88138 365.91075
8125.0000 -220.43133 -216.19497 4.23636 1.90603 -216.56390 380.25688
8130.0000 -221.17042 -217.12560 4.04482 1.90233 -216.63600 370.39116
8135.0000 -221.01408 -217.01089 4.00319 1.87413 -217.18559 353.38188
8140.0000 -219.91555 -216.28461 3.63094 1.89092 -216.85841 365.61354
8145.0000 -220.68902 -216.46706 4.22196 1.92608 -216.17341 398.46323
8150.0000 -220.83142 -216.94040 3.89102 1.91454 -216.39819 380.79966
8155.0000 -220.58280 -216.91811 3.66469 1.88836 -216.90821 360.39644
8160.0000 -221.61300 -217.75442 3.85858 1.86571 -217.34955 348.05407
8165.0000 -220.86009 -217.23149 3.62860 1.85308 -217.59567 333.36996
8170.0000 -221.34298 -217.09858 4.24440 1.87289 -217.20968 352.19817
8175.0000 -221.35213 -217.08816 4.26397 1.86728 -217.31900 352.02590
8180.0000 -220.84135 -217.14267 3.69868 1.87738 -217.12214 352.73253
8185.0000 -220.68710 -216.60992 4.07718 1.87834 -217.10341 353.79540
8190.0000 -221.15308 -217.03707 4.11601 1.90197 -216.64317 379.06392
8195.0000 -221.03905 -216.83060 4.20845 1.91110 -216.46520 383.82477
8200.0000 -220.95698 -217.45112 3.50586 1.89162 -216.84466 370.37868
8205.0000 -221.06063 -217.37992 3.68071 1.84570 -217.73942 334.97265
8210.0000 -220.69990 -217.20083 3.49906 1.88892 -216.89734 364.94865
8215.0000 -221.66177 -217.81670 3.84508 1.85769 -217.50576 343.47681
8220.0000 -220.82389 -216.13417 4.68972 1.87746 -217.12065 358.37175
8225.0000 -220.69104 -216.51971 4.17133 1.91951 -216.30125 393.82366
8230.0000 -220.93897 -216.85076 4.08821 1.90369 -216.60964 376.77901
8235.0000 -220.90768 -216.84335 4.06434 1.89572 -216.76476 376.38972
8240.0000 -220.63214 -216.82842 3.80371 1.89690 -216.74178 374.27649
8245.0000 -220.79074 -216.99635 3.79439 1.89411 -216.79621 370.07955
8250.0000 -220.98050 -217.05080 3.92971 1.90151 -216.65204 371.91145
FREEZING PROCESS: loop number 34 T-loop= 336.00000000000000
main_MD> interactions number 34 at Temperature= 336.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90729 0.52227 0.11270
force_rgl> df(natom) -2.04693 -2.14132 -1.56860
8255.0000 -220.82159 -216.99390 3.82768 1.88636 -216.94719 369.11948
8260.0000 -221.55710 -217.90148 3.65562 1.86351 -217.39237 349.05891
8265.0000 -221.19522 -217.52049 3.67473 1.85409 -217.57590 338.50971
8270.0000 -221.36481 -218.29349 3.07132 1.83153 -218.01542 317.16860
8275.0000 -221.79965 -218.25220 3.54745 1.82289 -218.18383 314.80160
8280.0000 -221.32870 -217.95456 3.37414 1.82427 -218.15688 313.85859
8285.0000 -221.37854 -217.61634 3.76220 1.83946 -217.86103 327.57013
8290.0000 -221.14101 -217.31870 3.82230 1.84755 -217.70341 337.53283
8295.0000 -221.26615 -217.63460 3.63155 1.86005 -217.45990 344.78041
8300.0000 -221.32859 -218.05876 3.26983 1.82661 -218.11135 317.56030
8305.0000 -221.32490 -217.29663 4.02827 1.84665 -217.72087 335.01133
8310.0000 -221.38286 -218.26709 3.11578 1.84274 -217.79707 329.86097
8315.0000 -221.37069 -217.46077 3.90992 1.83173 -218.01152 319.84315
8320.0000 -221.11292 -217.50469 3.60822 1.85588 -217.54107 338.25102
8325.0000 -221.29751 -217.55675 3.74076 1.84771 -217.70016 331.54746
8330.0000 -221.60924 -217.56546 4.04379 1.86906 -217.28429 350.12933
8335.0000 -221.72163 -218.14000 3.58163 1.84109 -217.82918 325.96679
8340.0000 -221.30336 -217.65451 3.64885 1.83657 -217.91735 323.17161
8345.0000 -221.72901 -218.09100 3.63801 1.84354 -217.78155 330.41109
8350.0000 -221.87993 -218.61446 3.26548 1.82701 -218.10363 317.07054
8355.0000 -221.46475 -217.93936 3.52539 1.83090 -218.02775 319.63747
8360.0000 -221.35955 -217.70084 3.65871 1.83578 -217.93277 324.03806
8365.0000 -221.09513 -217.42312 3.67201 1.84884 -217.67816 329.12476
8370.0000 -221.19246 -217.59304 3.59943 1.85635 -217.53183 337.48578
8375.0000 -221.64543 -217.50540 4.14003 1.85599 -217.53895 337.65340
8380.0000 -220.88639 -217.16668 3.71971 1.84970 -217.66148 334.74240
8385.0000 -221.43147 -217.46136 3.97011 1.84819 -217.69090 330.25139
8390.0000 -220.94695 -216.61849 4.32846 1.88692 -216.93632 358.55760
8395.0000 -221.35063 -216.64259 4.70805 1.90125 -216.65707 379.72900
8400.0000 -221.48992 -218.02934 3.46058 1.87732 -217.12336 354.94701
8405.0000 -221.42691 -217.81601 3.61090 1.84881 -217.67891 335.30445
8410.0000 -221.73123 -218.12611 3.60511 1.82977 -218.04978 321.58417
8415.0000 -221.32668 -217.47499 3.85169 1.83855 -217.87876 327.85751
8420.0000 -221.79750 -218.08087 3.71663 1.85229 -217.61108 342.38675
8425.0000 -221.81212 -217.33350 4.47861 1.87051 -217.25608 356.03190
8430.0000 -220.82682 -217.62350 3.20333 1.83827 -217.88414 325.97690
8435.0000 -220.86487 -217.44104 3.42383 1.86628 -217.33842 348.45939
8440.0000 -221.38354 -217.64198 3.74155 1.84933 -217.66875 337.37050
8445.0000 -221.58237 -217.81734 3.76503 1.83240 -217.99856 322.43785
8450.0000 -221.55997 -217.92178 3.63819 1.81809 -218.27736 311.95660
8455.0000 -220.84809 -217.21315 3.63495 1.85082 -217.63963 338.79860
8460.0000 -221.37289 -218.06406 3.30883 1.83984 -217.85368 327.69252
8465.0000 -221.34757 -217.49962 3.84795 1.84203 -217.81093 334.46640
8470.0000 -221.19057 -217.68774 3.50283 1.84592 -217.73512 333.07453
8475.0000 -221.48651 -217.43306 4.05344 1.84837 -217.68741 335.89733
8480.0000 -221.37630 -217.46945 3.90684 1.85174 -217.62168 335.98524
8485.0000 -221.80515 -218.15605 3.64910 1.84033 -217.84398 329.73237
8490.0000 -221.66628 -218.41294 3.25334 1.81168 -218.40233 304.59052
8495.0000 -221.52725 -218.20420 3.32305 1.81314 -218.37384 308.03416
8500.0000 -221.62083 -217.95290 3.66793 1.84569 -217.73956 332.35390
FREEZING PROCESS: loop number 35 T-loop= 311.00000000000000
main_MD> interactions number 35 at Temperature= 311.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06358 -0.26141 -0.97810
force_rgl> df(natom) -0.67329 -1.46507 1.09623
8505.0000 -220.81358 -217.60800 3.20558 1.83977 -217.85498 326.28637
8510.0000 -221.73823 -217.90710 3.83113 1.83160 -218.01421 321.27051
8515.0000 -222.00952 -218.03784 3.97168 1.82223 -218.19663 309.87244
8520.0000 -221.59106 -218.24794 3.34312 1.81105 -218.41456 305.04295
8525.0000 -222.22648 -218.62661 3.59987 1.80188 -218.59323 298.37725
8530.0000 -221.64026 -218.12492 3.51534 1.80871 -218.46012 304.43210
8535.0000 -222.28649 -219.22205 3.06444 1.79133 -218.79863 292.63055
8540.0000 -222.03091 -218.94153 3.08938 1.76895 -219.23475 273.36405
8545.0000 -222.15257 -218.81922 3.33335 1.77519 -219.11313 276.43465
8550.0000 -222.08192 -219.23774 2.84417 1.78407 -218.94021 283.29231
8555.0000 -221.73591 -218.70410 3.03182 1.79008 -218.82305 287.47447
8560.0000 -221.83936 -218.19712 3.64224 1.81472 -218.34306 307.60889
8565.0000 -221.65362 -218.50488 3.14873 1.81721 -218.29444 311.35276
8570.0000 -221.79548 -218.66961 3.12587 1.81845 -218.27040 312.21415
8575.0000 -221.92721 -219.06058 2.86663 1.81093 -218.41679 303.52328
8580.0000 -222.12865 -218.83346 3.29519 1.78607 -218.90119 283.58212
8585.0000 -222.12890 -218.87336 3.25553 1.81180 -218.39983 306.18810
8590.0000 -221.60780 -218.57750 3.03031 1.81909 -218.25780 312.29796
8595.0000 -221.90671 -218.42274 3.48397 1.80234 -218.58430 296.43294
8600.0000 -221.92366 -218.70649 3.21717 1.80425 -218.54700 297.18865
8605.0000 -222.10282 -218.65947 3.44336 1.79319 -218.76244 291.48630
8610.0000 -221.74450 -218.34562 3.39888 1.82414 -218.15943 318.30804
8615.0000 -221.71044 -218.57193 3.13851 1.79414 -218.74401 292.70313
8620.0000 -221.95431 -219.02363 2.93069 1.79285 -218.76920 292.81174
8625.0000 -222.04012 -218.46364 3.57648 1.78418 -218.93801 284.22410
8630.0000 -221.98496 -218.74100 3.24396 1.80705 -218.49246 305.61291
8635.0000 -221.60465 -217.39681 4.20785 1.83097 -218.02646 319.90485
8640.0000 -221.55366 -217.62186 3.93180 1.85932 -217.47403 335.53281
8645.0000 -221.69680 -218.07943 3.61737 1.83311 -217.98474 313.05534
8650.0000 -221.88474 -218.40032 3.48442 1.80668 -218.49972 294.57174
8655.0000 -221.83105 -218.55007 3.28098 1.81452 -218.34684 308.06928
8660.0000 -221.88133 -218.41032 3.47101 1.80662 -218.50083 304.19619
8665.0000 -221.82488 -217.67040 4.15448 1.83416 -217.96430 325.37366
8670.0000 -222.01594 -218.38813 3.62781 1.82512 -218.14041 318.41056
8675.0000 -221.91715 -218.13060 3.78655 1.81433 -218.35053 312.19683
8680.0000 -221.79311 -218.19088 3.60223 1.81801 -218.27900 312.28232
8685.0000 -221.18094 -217.85429 3.32665 1.82175 -218.20599 309.61777
8690.0000 -221.63358 -218.41288 3.22071 1.82394 -218.16333 312.48322
8695.0000 -221.79568 -217.72692 4.06876 1.83340 -217.97911 325.20581
8700.0000 -221.29686 -217.91686 3.37999 1.83287 -217.98934 329.84941
8705.0000 -221.48465 -217.49162 3.99303 1.84099 -217.83122 336.68564
8710.0000 -221.89912 -218.02398 3.87514 1.83753 -217.89856 329.93094
8715.0000 -221.07878 -217.51456 3.56423 1.84546 -217.74407 338.10699
8720.0000 -222.37553 -218.69703 3.67850 1.84579 -217.73767 336.92957
8725.0000 -221.75743 -218.53507 3.22236 1.79290 -218.76807 295.39748
8730.0000 -222.08526 -218.56566 3.51960 1.79308 -218.76468 293.24805
8735.0000 -221.65564 -217.78564 3.86999 1.81786 -218.28192 317.92352
8740.0000 -221.88922 -218.60024 3.28898 1.81050 -218.42525 305.97314
8745.0000 -221.37747 -218.36826 3.00921 1.78215 -218.97759 284.40879
8750.0000 -220.91632 -217.03504 3.88128 1.82343 -218.17338 321.41700
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 16 [min], 44.7333609 [s].
main_MD> Deallocating global variables
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