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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_18/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_18.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 = 18 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 18 1800
main_MD> Size of nv and nvoiz: 18 1800
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 = 18
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> -5.6681428393484938E-002 -0.12542485359665770 -0.20504515858585234 initial drift of cluster / NP1 for coalescence
init> 0.40140276825193366 0.39953459779662603 0.25405657555767963 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7776605916499495E-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) 3.32480 -0.08189 0.57380
force_rgl> df(natom) 1.63119 0.46948 0.72720
preparo> THERMALIZATION PROCESS AT 1240.2942641569100
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -36.136273288706484 2.1182519440499092 -38.254525232756393 5.8088760866977104E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1213.0000000000000
main_MD> interactions number 1 at Temperature= 1213.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51748 -0.14765 1.28856
force_rgl> df(natom) 0.84847 0.95761 -0.15038
5.0000 -38.61423 -36.27712 2.33711 2.34792 -36.97379 1133.38044
10.0000 -39.31074 -36.38925 2.92148 2.36526 -36.85469 1030.51841
15.0000 -39.88191 -37.02560 2.85631 2.34285 -37.00862 1094.91451
20.0000 -39.80620 -36.94620 2.86000 2.27478 -37.47613 1093.35163
25.0000 -39.24834 -36.59722 2.65111 2.41521 -36.51164 1150.79525
30.0000 -40.33888 -37.04474 3.29413 2.36057 -36.88693 1096.64221
35.0000 -39.69647 -36.85206 2.84442 2.36634 -36.84727 1133.88641
40.0000 -37.91857 -35.40398 2.51459 2.51483 -35.82743 1314.59484
45.0000 -39.75982 -37.26567 2.49415 2.38649 -36.70891 1119.72892
50.0000 -39.60998 -37.52923 2.08075 2.25927 -37.58267 1020.41061
55.0000 -39.97490 -37.11531 2.85960 2.28837 -37.38284 1122.16714
60.0000 -39.56106 -37.31340 2.24766 2.27024 -37.50731 1030.35091
65.0000 -39.70818 -37.08591 2.62227 2.38041 -36.75065 1198.21135
70.0000 -39.34542 -37.32727 2.01816 2.24740 -37.66424 1006.56813
75.0000 -40.26651 -38.10083 2.16568 2.31136 -37.22493 1126.93609
80.0000 -39.27743 -36.67761 2.59982 2.31353 -37.21002 1133.94621
85.0000 -38.26441 -35.08541 3.17900 2.45912 -36.21006 1288.49318
90.0000 -39.37632 -36.95278 2.42355 2.51049 -35.85724 1276.84417
95.0000 -40.02417 -37.88052 2.14366 2.32106 -37.15827 1083.98171
100.0000 -39.01635 -36.23588 2.78048 2.39307 -36.66374 1182.66409
105.0000 -39.42369 -37.20559 2.21810 2.42230 -36.46295 1159.73286
110.0000 -39.23254 -37.35093 1.88162 2.28374 -37.41464 1036.08965
115.0000 -39.52594 -36.84906 2.67688 2.38246 -36.73662 1148.43576
120.0000 -38.97525 -35.63749 3.33776 2.44436 -36.31142 1227.19981
125.0000 -39.57349 -36.43582 3.13767 2.52046 -35.78879 1286.17421
130.0000 -39.84879 -37.39870 2.45010 2.30448 -37.27215 1010.43634
135.0000 -39.79082 -37.48961 2.30121 2.31711 -37.18544 1103.82089
140.0000 -39.78134 -36.81537 2.96596 2.33899 -37.03518 1161.33090
145.0000 -39.47025 -36.76395 2.70630 2.38912 -36.69084 1156.67809
150.0000 -38.39473 -34.83792 3.55681 2.47524 -36.09932 1309.69374
155.0000 -39.22772 -37.46100 1.76672 2.41432 -36.51777 1221.99388
160.0000 -38.16373 -34.84738 3.31634 2.45449 -36.24187 1214.01491
165.0000 -38.53606 -35.35289 3.18317 2.60284 -35.22296 1331.90813
170.0000 -38.85622 -35.29905 3.55717 2.63205 -35.02236 1344.74134
175.0000 -39.07355 -36.28329 2.79026 2.55342 -35.56235 1321.49226
180.0000 -38.78987 -36.14987 2.64000 2.51761 -35.80834 1310.29665
185.0000 -40.46059 -37.61466 2.84594 2.40382 -36.58991 1134.44345
190.0000 -39.49792 -37.45975 2.03816 2.31363 -37.20936 1099.74124
195.0000 -39.71119 -37.44888 2.26231 2.31862 -37.17506 990.93985
200.0000 -40.05999 -37.36931 2.69068 2.36453 -36.85976 1118.71786
205.0000 -40.21970 -37.73490 2.48480 2.26923 -37.51426 1071.66605
210.0000 -39.21297 -36.43869 2.77428 2.38548 -36.71585 1121.95578
215.0000 -38.60775 -36.47440 2.13335 2.40189 -36.60316 1057.63982
220.0000 -38.71131 -35.37345 3.33786 2.52153 -35.78144 1280.06019
225.0000 -38.53701 -36.16769 2.36932 2.50118 -35.92121 1209.22323
230.0000 -39.27957 -35.88864 3.39093 2.45350 -36.24863 1223.18153
235.0000 -39.30265 -36.90755 2.39509 2.44885 -36.28060 1281.95166
240.0000 -39.69540 -36.10019 3.59522 2.48057 -36.06276 1290.59142
245.0000 -39.61394 -37.74678 1.86716 2.36452 -36.85983 1181.05795
250.0000 -41.20589 -38.15982 3.04607 2.22149 -37.84215 977.82400
FREEZING PROCESS: loop number 2 T-loop= 1188.0000000000000
main_MD> interactions number 2 at Temperature= 1188.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.74362 -3.59216 -0.12826
force_rgl> df(natom) -1.26506 1.42181 -0.27782
255.0000 -39.22386 -36.97985 2.24400 2.25901 -37.58446 1029.85359
260.0000 -38.94155 -34.95442 3.98712 2.60456 -35.21116 1515.63586
265.0000 -39.44295 -36.81125 2.63170 2.45662 -36.22725 1304.54321
270.0000 -39.80704 -36.87812 2.92891 2.37497 -36.78800 1187.89688
275.0000 -38.57383 -36.20135 2.37248 2.43573 -36.37071 1160.24026
280.0000 -38.66954 -35.81633 2.85321 2.47853 -36.07676 1341.48972
285.0000 -38.41287 -35.44945 2.96343 2.47460 -36.10373 1215.22074
290.0000 -38.86999 -36.66353 2.20647 2.55989 -35.51798 1398.29271
295.0000 -39.55697 -36.24975 3.30721 2.44518 -36.30578 1211.82671
300.0000 -40.41528 -37.07934 3.33593 2.31560 -37.19579 1113.21718
305.0000 -40.40752 -37.07397 3.33355 2.24903 -37.65304 1073.98671
310.0000 -39.34704 -36.93341 2.41362 2.37884 -36.76147 1112.80821
315.0000 -39.94002 -36.88910 3.05092 2.44249 -36.32432 1188.38459
320.0000 -40.67590 -37.56964 3.10625 2.35322 -36.93744 1136.37143
325.0000 -39.87363 -36.33341 3.54022 2.30450 -37.27206 1094.80020
330.0000 -39.92766 -37.02739 2.90027 2.29443 -37.34120 1153.98668
335.0000 -39.37641 -37.73989 1.63652 2.22597 -37.81137 1032.88187
340.0000 -39.09067 -37.26060 1.83006 2.23808 -37.72823 996.29055
345.0000 -38.77572 -35.66297 3.11275 2.38386 -36.72696 1085.36858
350.0000 -37.28404 -34.43015 2.85389 2.67298 -34.74124 1410.14615
355.0000 -38.94489 -35.64705 3.29783 2.64512 -34.93256 1416.43512
360.0000 -39.98587 -37.55697 2.42890 2.35670 -36.91350 1148.68949
365.0000 -39.53399 -36.98168 2.55231 2.33827 -37.04007 1105.86889
370.0000 -40.26116 -38.04522 2.21594 2.36194 -36.87750 1217.87009
375.0000 -39.69394 -37.36080 2.33314 2.27344 -37.48539 1093.07241
380.0000 -38.93873 -36.68641 2.25232 2.41986 -36.47968 1241.60480
385.0000 -37.61794 -35.18949 2.42845 2.51082 -35.85499 1280.19079
390.0000 -38.62955 -35.94628 2.68327 2.56176 -35.50507 1308.85068
395.0000 -38.61199 -36.29405 2.31794 2.44096 -36.33477 1151.53505
400.0000 -39.41829 -36.86391 2.55439 2.43467 -36.37797 1214.85927
405.0000 -40.81349 -38.53126 2.28224 2.24938 -37.65064 1099.54284
410.0000 -39.26142 -36.23533 3.02609 2.27163 -37.49777 1095.32442
415.0000 -39.25050 -36.97160 2.27890 2.40247 -36.59917 1159.74792
420.0000 -37.85640 -34.93541 2.92099 2.55552 -35.54799 1362.32979
425.0000 -39.10065 -35.74201 3.35864 2.59819 -35.25490 1416.15154
430.0000 -39.46222 -36.28041 3.18182 2.50263 -35.91119 1204.49468
435.0000 -38.73053 -35.95441 2.77612 2.48943 -36.00190 1290.48826
440.0000 -40.70734 -37.53365 3.17369 2.31354 -37.20994 1078.54545
445.0000 -40.35467 -38.35249 2.00218 2.26095 -37.57118 1055.27991
450.0000 -38.98021 -36.35022 2.62999 2.25273 -37.62760 1064.19960
455.0000 -39.53703 -36.63985 2.89718 2.42482 -36.44565 1246.13258
460.0000 -40.43789 -37.73340 2.70450 2.28963 -37.37414 1022.76992
465.0000 -39.75794 -36.98357 2.77437 2.30286 -37.28327 998.84599
470.0000 -39.19150 -36.42959 2.76191 2.36681 -36.84405 1096.76482
475.0000 -39.55237 -36.34149 3.21088 2.36646 -36.84645 1072.67493
480.0000 -39.13826 -36.54371 2.59455 2.40529 -36.57978 1137.65830
485.0000 -38.46034 -36.04635 2.41398 2.35862 -36.90034 1146.74381
490.0000 -39.70262 -36.42493 3.27769 2.45588 -36.23228 1267.60941
495.0000 -38.84765 -36.67183 2.17582 2.46335 -36.18100 1253.14832
500.0000 -39.64208 -37.07931 2.56277 2.35211 -36.94504 1113.81444
FREEZING PROCESS: loop number 3 T-loop= 1163.0000000000000
main_MD> interactions number 3 at Temperature= 1163.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.53665 5.47349 -5.25188
force_rgl> df(natom) 8.46819 -3.24363 -5.66613
505.0000 -39.34560 -37.02466 2.32094 2.36364 -36.86582 1128.63926
510.0000 -40.28499 -38.22060 2.06439 2.23055 -37.77993 976.48496
515.0000 -40.46060 -38.33093 2.12967 2.22373 -37.82679 980.09628
520.0000 -38.92100 -35.81804 3.10296 2.31665 -37.18860 1128.04307
525.0000 -39.63746 -36.52157 3.11589 2.48243 -36.04995 1183.61269
530.0000 -40.45522 -37.34134 3.11389 2.35500 -36.92517 1146.60599
535.0000 -38.40571 -36.07526 2.33045 2.41236 -36.53120 1203.39880
540.0000 -39.98951 -36.56975 3.41976 2.38301 -36.73279 1159.34799
545.0000 -39.41735 -36.35567 3.06169 2.38721 -36.70394 1183.90067
550.0000 -39.06466 -36.46977 2.59489 2.49823 -35.94146 1364.87341
555.0000 -39.20933 -36.75055 2.45878 2.43976 -36.34304 1195.21119
560.0000 -39.98091 -37.57541 2.40549 2.32970 -37.09897 1076.63814
565.0000 -39.47446 -36.78251 2.69195 2.37307 -36.80108 1176.63692
570.0000 -39.06480 -36.52730 2.53750 2.38390 -36.72667 1076.53016
575.0000 -39.52154 -35.37025 4.15129 2.48329 -36.04408 1281.93967
580.0000 -39.63820 -36.44331 3.19489 2.53337 -35.70013 1254.72305
585.0000 -39.94947 -36.98587 2.96360 2.33692 -37.04935 1123.98632
590.0000 -38.68630 -36.50705 2.17926 2.40547 -36.57854 1187.96084
595.0000 -39.56498 -36.10480 3.46018 2.44037 -36.33884 1200.06612
600.0000 -38.72979 -35.66258 3.06721 2.49624 -35.95510 1213.95492
605.0000 -39.78374 -37.09996 2.68378 2.47654 -36.09042 1234.27825
610.0000 -38.59851 -35.34898 3.24952 2.38553 -36.71551 1191.82123
615.0000 -39.65988 -36.51402 3.14586 2.47713 -36.08639 1177.88180
620.0000 -41.03281 -37.91983 3.11298 2.33817 -37.04075 1110.47625
625.0000 -39.61184 -37.06475 2.54710 2.29913 -37.30889 1050.94212
630.0000 -39.65449 -36.47012 3.18436 2.35431 -36.92995 1096.48919
635.0000 -38.56869 -35.94666 2.62203 2.37881 -36.76165 1107.39040
640.0000 -38.95796 -36.21428 2.74367 2.48636 -36.02298 1295.45194
645.0000 -38.95672 -36.22890 2.72781 2.40555 -36.57799 1169.99011
650.0000 -38.13810 -35.34543 2.79267 2.46570 -36.16487 1221.01874
655.0000 -39.46750 -35.99094 3.47657 2.55574 -35.54646 1245.73252
660.0000 -40.31190 -36.22785 4.08405 2.52031 -35.78980 1287.66489
665.0000 -39.19659 -36.54397 2.65263 2.39234 -36.66875 1221.00839
670.0000 -40.05674 -36.78864 3.26810 2.42091 -36.47249 1192.78876
675.0000 -39.43212 -37.08823 2.34389 2.41791 -36.49313 1226.76938
680.0000 -37.74756 -35.56572 2.18184 2.45892 -36.21141 1266.57057
685.0000 -39.62748 -36.83578 2.79170 2.44200 -36.32768 1152.04831
690.0000 -38.83093 -35.75490 3.07604 2.54122 -35.64619 1332.29246
695.0000 -38.17532 -35.49775 2.67757 2.57942 -35.38382 1314.70911
700.0000 -38.52872 -35.18043 3.34830 2.59067 -35.30657 1329.05421
705.0000 -38.40233 -35.31629 3.08605 2.56775 -35.46399 1409.52035
710.0000 -39.74030 -36.34147 3.39883 2.46148 -36.19387 1202.32832
715.0000 -38.68914 -35.52497 3.16417 2.52648 -35.74740 1304.30650
720.0000 -38.88885 -36.29785 2.59100 2.51803 -35.80542 1249.84853
725.0000 -40.13977 -37.36580 2.77398 2.41862 -36.48822 1220.48504
730.0000 -39.31409 -37.21914 2.09495 2.34605 -36.98664 1122.20155
735.0000 -39.21819 -36.99638 2.22181 2.29581 -37.33172 1069.17872
740.0000 -39.05739 -35.81534 3.24205 2.48098 -36.05995 1193.41226
745.0000 -39.07010 -35.94272 3.12738 2.53180 -35.71084 1300.18051
750.0000 -38.62072 -36.24453 2.37620 2.45602 -36.23135 1224.37148
FREEZING PROCESS: loop number 4 T-loop= 1138.0000000000000
main_MD> interactions number 4 at Temperature= 1138.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.40487 -1.83711 0.35059
force_rgl> df(natom) -1.19921 -1.34363 -0.04981
755.0000 -40.75083 -38.62230 2.12854 2.38078 -36.74815 1189.75347
760.0000 -40.32424 -38.19655 2.12769 2.10827 -38.61982 888.47031
765.0000 -40.21895 -37.67366 2.54529 2.31938 -37.16983 1041.39559
770.0000 -38.49393 -36.28246 2.21147 2.37809 -36.76660 1172.42574
775.0000 -38.69497 -36.99339 1.70157 2.43391 -36.38323 1148.36086
780.0000 -39.91388 -37.13161 2.78227 2.36010 -36.89014 1138.36769
785.0000 -38.98104 -36.10232 2.87872 2.39093 -36.67841 1220.00394
790.0000 -38.89703 -36.95415 1.94287 2.37691 -36.77468 1200.35043
795.0000 -39.58695 -36.84834 2.73861 2.36159 -36.87995 1104.54996
800.0000 -38.71080 -35.93503 2.77577 2.41646 -36.50304 1187.17660
805.0000 -39.47030 -37.02019 2.45011 2.34465 -36.99625 1081.05336
810.0000 -39.48582 -35.93548 3.55034 2.46922 -36.14069 1203.03110
815.0000 -39.45572 -36.44795 3.00776 2.40573 -36.57678 1187.39971
820.0000 -39.05416 -37.16850 1.88566 2.38791 -36.69918 1197.52856
825.0000 -40.70923 -38.60967 2.09956 2.22310 -37.83111 995.57289
830.0000 -39.71878 -36.59445 3.12433 2.23045 -37.78066 982.13180
835.0000 -39.99661 -36.95964 3.03697 2.43201 -36.39626 1158.09530
840.0000 -40.22478 -37.83989 2.38489 2.27682 -37.46216 994.02269
845.0000 -38.97099 -37.19289 1.77810 2.26014 -37.57673 984.77329
850.0000 -40.10224 -36.29165 3.81059 2.41036 -36.54494 1150.32494
855.0000 -38.56563 -35.23139 3.33424 2.44519 -36.30573 1254.08191
860.0000 -40.02690 -36.32198 3.70492 2.49225 -35.98253 1294.88859
865.0000 -39.79877 -36.32592 3.47285 2.51312 -35.83917 1242.24343
870.0000 -39.52003 -36.89000 2.63003 2.38553 -36.71547 1204.80888
875.0000 -38.68209 -36.15626 2.52583 2.41218 -36.53245 1181.48046
880.0000 -38.62661 -36.15173 2.47489 2.39662 -36.63932 1097.40455
885.0000 -39.40189 -36.30287 3.09902 2.47342 -36.11186 1267.42554
890.0000 -38.24018 -35.46992 2.77026 2.49185 -35.98528 1261.08824
895.0000 -38.82544 -36.19022 2.63523 2.51141 -35.85093 1320.67498
900.0000 -39.16388 -36.47445 2.68942 2.46111 -36.19638 1192.99836
905.0000 -39.70004 -37.35056 2.34948 2.34929 -36.96441 1076.72705
910.0000 -39.05680 -36.54352 2.51329 2.41577 -36.50783 1217.66654
915.0000 -39.03844 -36.65108 2.38736 2.38523 -36.71755 1155.76734
920.0000 -40.03905 -37.06283 2.97622 2.35984 -36.89197 1120.30124
925.0000 -38.95022 -37.07610 1.87412 2.28312 -37.41886 1047.64394
930.0000 -39.50586 -37.20857 2.29729 2.37090 -36.81596 1136.06102
935.0000 -38.15503 -34.98814 3.16689 2.49045 -35.99489 1213.32287
940.0000 -39.48925 -35.82792 3.66133 2.53649 -35.67868 1280.13188
945.0000 -39.50970 -37.00765 2.50205 2.42453 -36.44766 1239.40511
950.0000 -39.95511 -37.85412 2.10098 2.30475 -37.27035 1072.38404
955.0000 -40.10296 -37.37661 2.72635 2.29920 -37.30847 1030.33406
960.0000 -39.03734 -36.42207 2.61527 2.37309 -36.80094 1174.06701
965.0000 -39.34739 -36.82073 2.52666 2.39989 -36.61685 1151.88681
970.0000 -39.40802 -36.20737 3.20065 2.38339 -36.73016 1094.22071
975.0000 -40.09232 -37.70445 2.38787 2.38766 -36.70085 1148.92708
980.0000 -39.59856 -35.65567 3.94288 2.34882 -36.96764 1088.65028
985.0000 -39.65367 -35.94612 3.70755 2.52301 -35.77126 1269.07433
990.0000 -40.14283 -38.07562 2.06721 2.33406 -37.06899 1166.20464
995.0000 -39.91729 -37.08807 2.82922 2.23124 -37.77520 1029.10810
1000.0000 -39.86798 -38.22034 1.64763 2.21832 -37.86396 982.54823
FREEZING PROCESS: loop number 5 T-loop= 1113.0000000000000
main_MD> interactions number 5 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89139 0.43272 1.48915
force_rgl> df(natom) 2.57896 -0.86432 0.95619
1005.0000 -40.22498 -37.35280 2.87218 2.28902 -37.37835 1025.32019
1010.0000 -39.78188 -36.84294 2.93894 2.30238 -37.28657 1079.38459
1015.0000 -38.75939 -35.82657 2.93282 2.35702 -36.91132 1083.39789
1020.0000 -38.44880 -36.06277 2.38603 2.48953 -36.00122 1176.40290
1025.0000 -39.13048 -37.09579 2.03469 2.43937 -36.34574 1187.10151
1030.0000 -39.02492 -36.60638 2.41854 2.35145 -36.94956 1118.90894
1035.0000 -39.09530 -36.60230 2.49300 2.44724 -36.29164 1200.40815
1040.0000 -40.43894 -37.85578 2.58315 2.26642 -37.53360 994.68875
1045.0000 -40.26784 -38.05853 2.20931 2.23265 -37.76555 1058.22706
1050.0000 -39.89870 -37.43002 2.46868 2.23213 -37.76907 1037.48017
1055.0000 -39.96797 -38.11412 1.85385 2.20537 -37.95289 914.43060
1060.0000 -39.41378 -36.41541 2.99837 2.47703 -36.08703 1328.70215
1065.0000 -38.83446 -36.31096 2.52350 2.39692 -36.63726 1191.11323
1070.0000 -40.02514 -37.09766 2.92748 2.42742 -36.42779 1186.09811
1075.0000 -39.10984 -37.18500 1.92484 2.26482 -37.54458 993.01756
1080.0000 -39.66004 -36.63747 3.02257 2.40412 -36.58781 1157.32462
1085.0000 -39.26694 -36.19148 3.07546 2.37736 -36.77164 1115.04136
1090.0000 -37.62543 -34.68298 2.94245 2.48662 -36.02116 1303.58774
1095.0000 -38.06287 -36.13624 1.92664 2.55658 -35.54069 1320.53463
1100.0000 -39.53968 -37.38580 2.15388 2.36445 -36.86030 1106.84503
1105.0000 -39.65660 -37.46733 2.18927 2.33284 -37.07742 1030.49865
1110.0000 -40.37599 -37.89789 2.47810 2.23641 -37.73968 1040.04764
1115.0000 -38.99688 -36.31665 2.68023 2.42304 -36.45789 1152.56146
1120.0000 -39.44153 -36.49399 2.94754 2.50793 -35.87482 1243.12396
1125.0000 -39.98144 -38.40877 1.57266 2.25093 -37.63994 989.40765
1130.0000 -40.52356 -37.95606 2.56750 2.16886 -38.20364 940.04683
1135.0000 -41.23827 -38.76030 2.47798 2.12296 -38.51892 930.46233
1140.0000 -40.06030 -38.51283 1.54747 2.13320 -38.44856 943.77766
1145.0000 -38.37242 -35.67521 2.69721 2.32437 -37.13553 1127.45014
1150.0000 -39.78312 -36.60884 3.17428 2.49591 -35.95736 1183.31731
1155.0000 -38.70831 -35.97806 2.73025 2.46294 -36.18380 1325.71841
1160.0000 -39.01352 -36.29809 2.71543 2.50297 -35.90890 1219.19801
1165.0000 -39.70881 -37.18348 2.52533 2.42474 -36.44618 1127.26704
1170.0000 -38.94096 -37.40786 1.53310 2.28107 -37.43296 1028.80034
1175.0000 -39.06797 -37.05606 2.01191 2.30021 -37.30149 1055.21319
1180.0000 -40.29628 -38.10048 2.19580 2.25671 -37.60029 983.81815
1185.0000 -39.31173 -37.65555 1.65618 2.24334 -37.69210 1026.75475
1190.0000 -39.38457 -36.87377 2.51080 2.36291 -36.87088 1110.85997
1195.0000 -39.73516 -37.02566 2.70950 2.35438 -36.92943 1163.13118
1200.0000 -40.38731 -37.65408 2.73323 2.35686 -36.91241 1128.28168
1205.0000 -40.03874 -36.95182 3.08692 2.27816 -37.45295 1081.29423
1210.0000 -39.58025 -37.38567 2.19458 2.28691 -37.39282 1069.47620
1215.0000 -39.78067 -37.33918 2.44149 2.36988 -36.82300 1057.92508
1220.0000 -39.97944 -37.24851 2.73093 2.27290 -37.48907 1051.19590
1225.0000 -39.34924 -37.22706 2.12218 2.26371 -37.55222 989.02998
1230.0000 -38.56690 -36.43791 2.12899 2.38368 -36.72819 1132.69167
1235.0000 -39.95535 -36.24355 3.71180 2.39582 -36.64485 1226.55638
1240.0000 -38.53518 -35.76257 2.77261 2.48870 -36.00690 1339.86690
1245.0000 -39.29095 -36.70320 2.58774 2.42717 -36.42948 1216.63658
1250.0000 -40.02414 -35.79718 4.22696 2.46782 -36.15028 1262.88907
FREEZING PROCESS: loop number 6 T-loop= 1088.0000000000000
main_MD> interactions number 6 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57721 1.52930 2.49787
force_rgl> df(natom) 0.24133 -2.48577 -1.81403
1255.0000 -39.51425 -37.27786 2.23639 2.41334 -36.52452 1148.87599
1260.0000 -39.96735 -37.89459 2.07275 2.23161 -37.77269 918.27441
1265.0000 -39.40007 -37.23786 2.16221 2.25626 -37.60338 955.65910
1270.0000 -39.21509 -36.64721 2.56788 2.32335 -37.14255 1024.42669
1275.0000 -39.79741 -37.37189 2.42553 2.42765 -36.42622 1263.03262
1280.0000 -39.74570 -37.27183 2.47387 2.31857 -37.17538 1081.55077
1285.0000 -39.48445 -37.14372 2.34073 2.34210 -37.01376 1201.25125
1290.0000 -39.99032 -37.81902 2.17130 2.27586 -37.46872 1061.65336
1295.0000 -39.88395 -37.34043 2.54352 2.27165 -37.49764 1036.80617
1300.0000 -39.87844 -37.95040 1.92803 2.19812 -38.00270 970.43495
1305.0000 -40.35004 -38.04508 2.30496 2.15801 -38.27820 960.19439
1310.0000 -40.04462 -38.18637 1.85826 2.20024 -37.98809 1009.78274
1315.0000 -41.12383 -39.12038 2.00345 2.09531 -38.70880 766.80732
1320.0000 -40.01382 -38.58918 1.42464 2.07230 -38.86687 864.52179
1325.0000 -39.28649 -37.22334 2.06316 2.20422 -37.96077 939.29239
1330.0000 -38.83159 -35.91151 2.92008 2.48551 -36.02883 1150.62249
1335.0000 -39.46159 -37.51953 1.94206 2.35757 -36.90756 1096.40719
1340.0000 -40.34527 -38.01974 2.32553 2.26696 -37.52984 1044.65386
1345.0000 -39.12707 -37.69683 1.43024 2.14750 -38.35035 883.99431
1350.0000 -40.02790 -37.20517 2.82273 2.22757 -37.80040 1021.24647
1355.0000 -39.73039 -37.67262 2.05777 2.29237 -37.35535 1068.72715
1360.0000 -39.30847 -35.93969 3.36878 2.37508 -36.78725 1112.73792
1365.0000 -39.89933 -36.71628 3.18305 2.45815 -36.21670 1201.60462
1370.0000 -39.20287 -35.95912 3.24375 2.37983 -36.75462 1072.24250
1375.0000 -39.16767 -36.65758 2.51009 2.48208 -36.05238 1259.76713
1380.0000 -39.74889 -37.81299 1.93590 2.28076 -37.43510 1063.67405
1385.0000 -39.97870 -36.97426 3.00444 2.27736 -37.45844 1062.10426
1390.0000 -38.89746 -35.83972 3.05774 2.43704 -36.36169 1207.36945
1395.0000 -38.84480 -35.41226 3.43254 2.54008 -35.65399 1240.09498
1400.0000 -39.61419 -36.17002 3.44417 2.48442 -36.03628 1256.71517
1405.0000 -40.39340 -38.02672 2.36668 2.33200 -37.08319 1158.04129
1410.0000 -38.93794 -36.65530 2.28264 2.24051 -37.71154 1028.16935
1415.0000 -38.98442 -36.81739 2.16703 2.49868 -35.93836 1290.38546
1420.0000 -39.72692 -37.07353 2.65339 2.35704 -36.91121 1088.93633
1425.0000 -39.22815 -37.38873 1.83942 2.28900 -37.37846 1094.33164
1430.0000 -39.21360 -36.61641 2.59719 2.34084 -37.02247 1100.96824
1435.0000 -40.44216 -36.81727 3.62489 2.30086 -37.29702 1128.26316
1440.0000 -39.11072 -36.81731 2.29341 2.38967 -36.68706 1089.02387
1445.0000 -40.08751 -37.65181 2.43570 2.27489 -37.47543 1070.77754
1450.0000 -39.26044 -35.97489 3.28555 2.36749 -36.83939 1152.41096
1455.0000 -38.72182 -35.94107 2.78075 2.47962 -36.06928 1225.32277
1460.0000 -39.17707 -36.25942 2.91765 2.42517 -36.44323 1152.50966
1465.0000 -38.79988 -36.15273 2.64715 2.46744 -36.15294 1214.00503
1470.0000 -40.64828 -36.60332 4.04496 2.39097 -36.67816 1107.33300
1475.0000 -40.13156 -37.55906 2.57250 2.33347 -37.07306 1125.33671
1480.0000 -38.89893 -36.41598 2.48295 2.29793 -37.31715 1054.91422
1485.0000 -38.08684 -35.71307 2.37377 2.47873 -36.07535 1156.73382
1490.0000 -37.88057 -34.87286 3.00771 2.56621 -35.47456 1290.99709
1495.0000 -38.34674 -34.65341 3.69333 2.62902 -35.04314 1395.41315
1500.0000 -39.00741 -35.44048 3.56693 2.59323 -35.28893 1422.51143
FREEZING PROCESS: loop number 7 T-loop= 1063.0000000000000
main_MD> interactions number 7 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42560 -0.53037 -0.82253
force_rgl> df(natom) -0.24077 2.72121 -1.14967
1505.0000 -38.72711 -36.22751 2.49960 2.56800 -35.46225 1393.42874
1510.0000 -38.86791 -36.72752 2.14039 2.45358 -36.24812 1121.42879
1515.0000 -38.86684 -36.14752 2.71932 2.50082 -35.92366 1253.15313
1520.0000 -39.03299 -37.20999 1.82300 2.33484 -37.06365 1034.09205
1525.0000 -40.46862 -38.39159 2.07702 2.26505 -37.54302 1047.97776
1530.0000 -39.74957 -37.37683 2.37274 2.20936 -37.92551 1007.11835
1535.0000 -40.76547 -38.68305 2.08242 2.20067 -37.98518 944.47821
1540.0000 -40.92106 -38.16815 2.75291 2.17265 -38.17764 901.21398
1545.0000 -39.73915 -37.75548 1.98368 2.25603 -37.60493 1021.74771
1550.0000 -39.71764 -37.35537 2.36227 2.30637 -37.25922 1086.27693
1555.0000 -39.45823 -36.36223 3.09600 2.42057 -36.47483 1135.94611
1560.0000 -38.77620 -36.08926 2.68694 2.42229 -36.46299 1165.89587
1565.0000 -39.71230 -36.73353 2.97876 2.41795 -36.49283 1206.75194
1570.0000 -39.27829 -37.51310 1.76519 2.28847 -37.38213 1058.12412
1575.0000 -39.73047 -37.87473 1.85574 2.22622 -37.80968 1005.68941
1580.0000 -38.86259 -36.68773 2.17485 2.32348 -37.14171 1161.12990
1585.0000 -40.56261 -38.18999 2.37262 2.27418 -37.48030 1032.34712
1590.0000 -39.21375 -37.06568 2.14807 2.25897 -37.58476 962.07668
1595.0000 -39.39799 -37.10869 2.28930 2.27579 -37.46922 991.23846
1600.0000 -38.49964 -36.46452 2.03512 2.39053 -36.68118 1192.05900
1605.0000 -40.63242 -38.21846 2.41397 2.35022 -36.95803 1124.34033
1610.0000 -39.84712 -37.40856 2.43857 2.16178 -38.25230 858.87845
1615.0000 -40.98123 -37.92785 3.05337 2.17231 -38.17998 977.24259
1620.0000 -39.30421 -36.63229 2.67192 2.29733 -37.32128 998.83538
1625.0000 -38.51667 -35.80216 2.71451 2.47601 -36.09405 1269.93476
1630.0000 -38.06594 -35.66819 2.39774 2.43237 -36.39379 1179.47797
1635.0000 -39.27962 -36.21292 3.06670 2.54251 -35.63733 1300.09920
1640.0000 -39.32173 -37.40361 1.91813 2.41896 -36.48591 1183.55863
1645.0000 -39.05388 -37.11585 1.93803 2.28251 -37.42304 1056.22883
1650.0000 -38.69087 -36.57268 2.11819 2.35972 -36.89274 1164.56943
1655.0000 -40.11700 -37.84637 2.27062 2.24334 -37.69209 957.17946
1660.0000 -39.53321 -36.34006 3.19315 2.29899 -37.30986 1008.51817
1665.0000 -40.39739 -38.42222 1.97517 2.29961 -37.30563 1085.86132
1670.0000 -39.47629 -37.51247 1.96381 2.22160 -37.84144 990.25356
1675.0000 -38.57847 -36.30623 2.27224 2.32971 -37.09887 1050.94140
1680.0000 -40.57456 -37.68782 2.88674 2.35875 -36.89940 1076.06445
1685.0000 -39.57711 -36.50793 3.06918 2.35622 -36.91679 1091.57426
1690.0000 -39.38196 -36.84648 2.53548 2.41282 -36.52806 1179.34107
1695.0000 -39.03254 -36.01911 3.01343 2.42828 -36.42191 1266.32928
1700.0000 -40.02867 -37.71567 2.31300 2.39101 -36.67785 1180.41458
1705.0000 -40.00216 -37.79936 2.20280 2.21545 -37.88364 939.84786
1710.0000 -39.44482 -35.57733 3.86749 2.44434 -36.31160 1232.57719
1715.0000 -38.92102 -36.78030 2.14072 2.49362 -35.97312 1217.13637
1720.0000 -39.35266 -36.67272 2.67995 2.37080 -36.81668 1099.68939
1725.0000 -39.93434 -37.47145 2.46289 2.30430 -37.27343 1088.66838
1730.0000 -39.78478 -37.79406 1.99072 2.23365 -37.75866 1013.25518
1735.0000 -39.27819 -36.96333 2.31486 2.28310 -37.41899 1036.45211
1740.0000 -39.62076 -37.32524 2.29553 2.31281 -37.21497 1101.00090
1745.0000 -39.55171 -37.38477 2.16694 2.36869 -36.83116 1230.67972
1750.0000 -40.57455 -37.83399 2.74055 2.36705 -36.84240 1194.71613
FREEZING PROCESS: loop number 8 T-loop= 1038.0000000000000
main_MD> interactions number 8 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.92712 -1.04686 0.05498
force_rgl> df(natom) 0.35059 -1.52779 2.38687
1755.0000 -40.36832 -38.71358 1.65474 2.18378 -38.10116 939.41453
1760.0000 -40.87797 -38.24949 2.62848 2.10328 -38.65404 828.17377
1765.0000 -40.02653 -37.78744 2.23909 2.20652 -37.94499 928.30910
1770.0000 -40.51725 -38.17028 2.34698 2.19396 -38.03126 952.31969
1775.0000 -39.44935 -36.84271 2.60664 2.21539 -37.88409 932.78353
1780.0000 -40.77766 -39.11075 1.66691 2.25852 -37.58785 1025.82256
1785.0000 -39.70789 -37.57509 2.13280 2.14764 -38.34938 916.75867
1790.0000 -39.13650 -37.28973 1.84677 2.30718 -37.25366 1143.54368
1795.0000 -40.18031 -37.58937 2.59094 2.36812 -36.83510 1160.67393
1800.0000 -40.57154 -38.43467 2.13687 2.15149 -38.32295 855.97966
1805.0000 -41.08090 -38.65420 2.42670 2.16356 -38.24007 940.55690
1810.0000 -40.23272 -38.71827 1.51445 2.10205 -38.66252 846.39190
1815.0000 -40.63958 -37.99390 2.64568 2.15148 -38.32302 833.37794
1820.0000 -40.21024 -39.12523 1.08501 2.10114 -38.66878 819.07215
1825.0000 -40.03178 -37.59481 2.43697 2.09087 -38.73929 846.32557
1830.0000 -39.21819 -35.96617 3.25202 2.36851 -36.83241 1167.07162
1835.0000 -39.82749 -37.11852 2.70897 2.45184 -36.26006 1249.68860
1840.0000 -39.32704 -35.88742 3.43962 2.44192 -36.32823 1218.32886
1845.0000 -40.36773 -36.91065 3.45708 2.35622 -36.91678 1178.65301
1850.0000 -38.57217 -36.00360 2.56857 2.39119 -36.67666 1127.43223
1855.0000 -39.10036 -35.71072 3.38964 2.50499 -35.89505 1208.24113
1860.0000 -39.52411 -36.39060 3.13352 2.48457 -36.03528 1280.50302
1865.0000 -39.49498 -36.75203 2.74295 2.37578 -36.78244 1086.88936
1870.0000 -40.27112 -37.67074 2.60038 2.29944 -37.30678 1029.84846
1875.0000 -41.19988 -38.81395 2.38593 2.15781 -38.27956 923.08800
1880.0000 -40.22058 -38.18754 2.03303 2.18499 -38.09287 927.47495
1885.0000 -38.96489 -37.15634 1.80854 2.24086 -37.70917 902.27451
1890.0000 -39.26318 -36.50137 2.76181 2.32797 -37.11084 1071.07313
1895.0000 -39.38728 -36.34203 3.04525 2.40525 -36.58009 1121.39726
1900.0000 -38.11906 -34.53524 3.58382 2.56159 -35.50625 1310.77294
1905.0000 -39.27458 -37.16659 2.10799 2.49516 -35.96252 1201.79530
1910.0000 -40.19781 -38.11476 2.08305 2.29118 -37.36349 1061.85683
1915.0000 -40.30616 -37.73700 2.56916 2.07947 -38.81763 866.79938
1920.0000 -39.31754 -36.97612 2.34142 2.31742 -37.18333 998.57901
1925.0000 -39.22273 -36.39570 2.82703 2.41167 -36.53595 1187.65830
1930.0000 -38.58102 -36.77695 1.80407 2.35941 -36.89490 1120.01159
1935.0000 -40.57169 -37.60553 2.96616 2.28525 -37.40428 1088.84161
1940.0000 -40.06053 -37.78563 2.27491 2.19389 -38.03177 941.69340
1945.0000 -40.43027 -38.34103 2.08923 2.16092 -38.25817 893.63822
1950.0000 -40.70913 -38.76647 1.94266 2.12053 -38.53560 860.26126
1955.0000 -40.11489 -38.17372 1.94117 2.13002 -38.47038 912.48521
1960.0000 -39.35764 -37.50931 1.84833 2.25678 -37.59979 1027.74914
1965.0000 -40.10741 -37.44273 2.66468 2.19451 -38.02746 897.49244
1970.0000 -40.28843 -38.22283 2.06560 2.25449 -37.61553 1010.61870
1975.0000 -40.16507 -37.91461 2.25047 2.20441 -37.95951 1000.39625
1980.0000 -39.76980 -37.93813 1.83167 2.26352 -37.55351 1109.64169
1985.0000 -40.66412 -38.72827 1.93584 2.14008 -38.40134 902.05960
1990.0000 -40.06257 -37.50794 2.55463 2.19331 -38.03572 971.02651
1995.0000 -38.25552 -36.61305 1.64247 2.37567 -36.78322 1131.31320
2000.0000 -39.05733 -36.50719 2.55014 2.29427 -37.34228 1110.26085
FREEZING PROCESS: loop number 9 T-loop= 1013.0000000000000
main_MD> interactions number 9 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20755 0.52811 -0.03763
force_rgl> df(natom) 1.81028 -0.94378 -0.94533
2005.0000 -39.74146 -37.35845 2.38301 2.31351 -37.21014 1046.86319
2010.0000 -39.43430 -36.77895 2.65535 2.38309 -36.73225 1149.43365
2015.0000 -39.54055 -36.18052 3.36003 2.43658 -36.36488 1182.76130
2020.0000 -38.62652 -36.30627 2.32026 2.43060 -36.40596 1135.94421
2025.0000 -39.38579 -36.59855 2.78724 2.41218 -36.53246 1087.30642
2030.0000 -39.67763 -37.93383 1.74380 2.36338 -36.86766 1137.42846
2035.0000 -39.49591 -37.70192 1.79399 2.20767 -37.93709 976.89431
2040.0000 -39.99596 -37.96865 2.02731 2.22818 -37.79622 977.76050
2045.0000 -39.52897 -38.11313 1.41583 2.20915 -37.92694 940.75819
2050.0000 -40.40223 -38.09889 2.30334 2.19617 -38.01610 930.29988
2055.0000 -40.50841 -38.40085 2.10756 2.14422 -38.37288 879.18342
2060.0000 -40.69924 -38.16725 2.53199 2.12745 -38.48809 891.74989
2065.0000 -40.37876 -38.16901 2.20975 2.16062 -38.26023 907.13562
2070.0000 -39.72773 -37.20748 2.52026 2.24530 -37.67861 1065.92274
2075.0000 -40.96157 -38.57543 2.38613 2.19134 -38.04923 886.88046
2080.0000 -39.75245 -37.07715 2.67529 2.22746 -37.80116 1008.94966
2085.0000 -40.00091 -37.64749 2.35341 2.33767 -37.04421 1079.30359
2090.0000 -39.66735 -37.30750 2.35985 2.22295 -37.83215 987.27326
2095.0000 -40.00155 -37.72937 2.27217 2.23525 -37.74765 983.97337
2100.0000 -39.53811 -37.33951 2.19861 2.24756 -37.66315 1041.88328
2105.0000 -39.90138 -37.59001 2.31137 2.28478 -37.40751 1115.69963
2110.0000 -39.43880 -37.45532 1.98348 2.27961 -37.44300 1050.43249
2115.0000 -39.58500 -37.38962 2.19538 2.20634 -37.94620 947.49208
2120.0000 -40.28270 -38.13111 2.15159 2.27378 -37.48305 1003.76504
2125.0000 -39.79977 -37.93855 1.86122 2.23083 -37.77805 1040.93803
2130.0000 -39.96499 -36.95375 3.01124 2.28964 -37.37410 1020.44945
2135.0000 -39.97329 -37.26987 2.70341 2.30431 -37.27336 1029.70776
2140.0000 -39.89596 -38.00513 1.89082 2.27205 -37.49488 1034.22828
2145.0000 -40.02312 -37.63087 2.39225 2.18037 -38.12462 981.76295
2150.0000 -40.06501 -37.53284 2.53217 2.27541 -37.47182 1089.99300
2155.0000 -40.27145 -37.88745 2.38400 2.25651 -37.60168 1034.15233
2160.0000 -39.79600 -37.00413 2.79186 2.26392 -37.55075 1032.75847
2165.0000 -40.66106 -37.77638 2.88469 2.28622 -37.39760 1049.40689
2170.0000 -40.05257 -37.76511 2.28746 2.23472 -37.75132 1042.92089
2175.0000 -40.75424 -38.69112 2.06311 2.24011 -37.71428 1010.58268
2180.0000 -40.27886 -37.86253 2.41633 2.22849 -37.79410 989.77164
2185.0000 -39.39779 -37.87854 1.51925 2.20447 -37.95908 960.09475
2190.0000 -40.61991 -37.91534 2.70457 2.24655 -37.67006 1010.34308
2195.0000 -40.40132 -37.26699 3.13433 2.29337 -37.34849 1050.51757
2200.0000 -39.11116 -36.88334 2.22782 2.27969 -37.44241 1040.23704
2205.0000 -39.20508 -36.80901 2.39607 2.37043 -36.81921 1151.90748
2210.0000 -40.10319 -37.44282 2.66037 2.25325 -37.62406 986.37388
2215.0000 -39.70875 -37.42433 2.28442 2.25235 -37.63020 1044.47616
2220.0000 -38.85064 -35.93611 2.91453 2.33987 -37.02911 1109.65634
2225.0000 -38.94728 -37.11605 1.83124 2.46829 -36.14710 1227.66460
2230.0000 -40.13562 -37.23247 2.90315 2.41777 -36.49409 1173.18264
2235.0000 -39.75957 -37.74870 2.01087 2.27541 -37.47186 987.28022
2240.0000 -39.48463 -37.53420 1.95043 2.26361 -37.55287 1036.73551
2245.0000 -39.61618 -37.10887 2.50731 2.28509 -37.40535 1051.81771
2250.0000 -39.36162 -37.18588 2.17574 2.38564 -36.71475 1173.04464
FREEZING PROCESS: loop number 10 T-loop= 988.00000000000000
main_MD> interactions number 10 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14315 -1.02481 1.77760
force_rgl> df(natom) 0.62949 1.69175 2.02393
2255.0000 -39.20963 -37.07431 2.13532 2.29694 -37.32399 1100.52406
2260.0000 -40.37154 -37.66723 2.70431 2.24686 -37.66793 1015.33226
2265.0000 -40.53799 -38.40888 2.12911 2.15634 -38.28964 912.61998
2270.0000 -40.85400 -39.28757 1.56644 2.05194 -39.00672 773.22245
2275.0000 -40.46411 -38.89066 1.57345 2.00918 -39.30038 786.77470
2280.0000 -40.24649 -38.15914 2.08735 2.12632 -38.49580 834.45258
2285.0000 -40.88647 -38.80695 2.07952 2.17384 -38.16942 885.74406
2290.0000 -40.19232 -38.45670 1.73562 2.14175 -38.38982 869.27678
2295.0000 -39.55263 -37.03598 2.51666 2.23008 -37.78316 1014.24917
2300.0000 -40.11248 -38.05524 2.05724 2.30366 -37.27779 1040.38099
2305.0000 -39.69288 -37.33487 2.35801 2.19609 -38.01666 1015.95828
2310.0000 -39.88751 -37.58497 2.30254 2.21290 -37.90120 869.54893
2315.0000 -41.05539 -37.70938 3.34601 2.26257 -37.56004 1025.05006
2320.0000 -40.35886 -37.63992 2.71894 2.24881 -37.65451 1007.42597
2325.0000 -40.59205 -38.00441 2.58764 2.19026 -38.05665 948.63910
2330.0000 -38.77864 -37.24373 1.53492 2.29014 -37.37067 1080.91905
2335.0000 -40.19894 -38.15633 2.04261 2.30583 -37.26292 981.12188
2340.0000 -40.30305 -38.27979 2.02326 2.19344 -38.03483 970.87568
2345.0000 -40.05324 -38.36588 1.68737 2.16745 -38.21336 899.74421
2350.0000 -40.77484 -38.45910 2.31573 2.10934 -38.61245 832.77621
2355.0000 -41.03832 -38.69037 2.34795 2.14564 -38.36316 898.46328
2360.0000 -39.78160 -37.70458 2.07701 2.18630 -38.08387 938.70571
2365.0000 -38.62074 -36.53429 2.08644 2.34567 -36.98924 1122.86631
2370.0000 -39.17638 -36.36790 2.80848 2.50116 -35.92132 1301.33757
2375.0000 -39.89709 -37.24056 2.65654 2.33178 -37.08468 1042.14098
2380.0000 -39.85751 -37.68222 2.17529 2.22132 -37.84336 927.06318
2385.0000 -39.27311 -37.07124 2.20188 2.26344 -37.55402 1053.08963
2390.0000 -39.62123 -37.85715 1.76408 2.33412 -37.06862 1112.42537
2395.0000 -40.27556 -38.82720 1.44836 2.21606 -37.87949 900.83040
2400.0000 -41.08374 -38.70910 2.37464 2.12663 -38.49369 848.85113
2405.0000 -39.97732 -38.41982 1.55750 2.15589 -38.29273 877.11464
2410.0000 -40.55903 -38.44309 2.11594 2.12784 -38.48539 825.23063
2415.0000 -39.84691 -37.94218 1.90473 2.17112 -38.18812 891.95211
2420.0000 -40.73693 -37.59680 3.14013 2.17776 -38.14253 945.68472
2425.0000 -39.92561 -37.18425 2.74136 2.31162 -37.22314 1168.08146
2430.0000 -40.34454 -38.29034 2.05421 2.27738 -37.45830 1024.68909
2435.0000 -40.52848 -38.38867 2.13980 2.19878 -37.99815 895.30809
2440.0000 -41.25052 -38.01179 3.23874 2.13484 -38.43733 884.51759
2445.0000 -40.01896 -38.73620 1.28276 2.13591 -38.42996 887.80504
2450.0000 -40.95969 -38.81133 2.14836 2.12137 -38.52986 832.31859
2455.0000 -40.54605 -38.48143 2.06462 2.08884 -38.75327 878.88982
2460.0000 -41.16039 -38.82435 2.33604 2.09507 -38.71044 901.50674
2465.0000 -40.62759 -38.30409 2.32350 2.16182 -38.25197 930.41665
2470.0000 -41.17927 -39.04222 2.13705 2.11330 -38.58528 901.94481
2475.0000 -41.13137 -38.40081 2.73055 2.10299 -38.65607 839.67387
2480.0000 -40.70594 -38.80559 1.90035 2.10289 -38.65678 855.92526
2485.0000 -40.81563 -38.63175 2.18389 2.11608 -38.56614 880.03808
2490.0000 -41.36599 -39.42681 1.93918 2.09722 -38.69571 853.36717
2495.0000 -40.66451 -38.60948 2.05503 2.06894 -38.88994 826.11987
2500.0000 -40.35912 -38.70632 1.65280 2.07261 -38.86470 807.58048
FREEZING PROCESS: loop number 11 T-loop= 963.00000000000000
main_MD> interactions number 11 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84241 1.17899 1.32387
force_rgl> df(natom) -5.23322 1.65954 5.54813
2505.0000 -39.80044 -37.05721 2.74323 2.23938 -37.71933 1062.76969
2510.0000 -39.98579 -37.35899 2.62680 2.20499 -37.95551 1037.18473
2515.0000 -40.43575 -37.92962 2.50612 2.27953 -37.44353 1171.93658
2520.0000 -39.40210 -36.95077 2.45133 2.22224 -37.83700 936.31410
2525.0000 -40.08005 -37.98805 2.09200 2.26351 -37.55359 991.12136
2530.0000 -40.91737 -38.54643 2.37093 2.15760 -38.28101 918.67250
2535.0000 -40.74798 -39.11671 1.63127 2.11952 -38.54252 840.79304
2540.0000 -40.30000 -38.69743 1.60258 2.06965 -38.88507 803.32158
2545.0000 -39.40768 -37.26056 2.14712 2.18717 -38.07793 946.51783
2550.0000 -40.11720 -37.67736 2.43984 2.28501 -37.40587 1114.34179
2555.0000 -40.48539 -38.36334 2.12204 2.19644 -38.01421 1004.26650
2560.0000 -40.13552 -37.51520 2.62031 2.23800 -37.72878 1064.49669
2565.0000 -39.51404 -37.23038 2.28366 2.24232 -37.69909 1039.95697
2570.0000 -39.82735 -36.96109 2.86626 2.36076 -36.88565 1135.83946
2575.0000 -38.95057 -36.12589 2.82468 2.39627 -36.64171 1116.15841
2580.0000 -39.03690 -37.12085 1.91605 2.36363 -36.86591 1146.61062
2585.0000 -40.04264 -37.36670 2.67594 2.26293 -37.55753 980.12371
2590.0000 -39.54893 -37.49521 2.05372 2.35590 -36.91901 1149.76431
2595.0000 -40.94918 -39.03521 1.91397 2.10827 -38.61977 882.97117
2600.0000 -41.09304 -39.18933 1.90371 1.99320 -39.41015 723.42525
2605.0000 -40.16582 -38.01129 2.15453 2.11932 -38.54393 841.25127
2610.0000 -40.14975 -38.02560 2.12415 2.22038 -37.84979 990.74272
2615.0000 -41.09836 -39.15324 1.94512 2.12295 -38.51894 851.89970
2620.0000 -41.17139 -38.58005 2.59134 2.09332 -38.72245 880.82179
2625.0000 -40.82499 -38.34995 2.47504 2.14258 -38.38416 962.85542
2630.0000 -40.99751 -37.86181 3.13570 2.16260 -38.24665 1003.29411
2635.0000 -40.09871 -38.13637 1.96234 2.13625 -38.42761 837.34018
2640.0000 -40.16510 -38.10708 2.05802 2.18632 -38.08371 927.29704
2645.0000 -39.62306 -36.43008 3.19298 2.32016 -37.16449 1112.08120
2650.0000 -39.54539 -38.01690 1.52849 2.30590 -37.26245 983.12135
2655.0000 -40.25217 -37.67463 2.57754 2.20769 -37.93694 922.82982
2660.0000 -39.79632 -37.25370 2.54262 2.33012 -37.09610 1124.96370
2665.0000 -40.34585 -37.44930 2.89655 2.31664 -37.18866 1078.80877
2670.0000 -40.29207 -37.71683 2.57524 2.23912 -37.72112 980.10371
2675.0000 -40.05356 -38.29143 1.76212 2.20043 -37.98680 982.16176
2680.0000 -40.50036 -38.86114 1.63922 2.12312 -38.51778 891.04242
2685.0000 -40.73051 -38.54012 2.19039 2.06179 -38.93904 815.36448
2690.0000 -40.59610 -37.76590 2.83021 2.13233 -38.45458 916.41387
2695.0000 -39.82940 -37.26347 2.56593 2.22477 -37.81965 1010.87803
2700.0000 -39.82693 -36.81605 3.01088 2.30047 -37.29974 1122.03094
2705.0000 -40.15950 -37.86896 2.29054 2.24830 -37.65806 986.02415
2710.0000 -40.14718 -37.79556 2.35162 2.28490 -37.40668 1068.32951
2715.0000 -39.70859 -37.12619 2.58240 2.26113 -37.56994 1083.09153
2720.0000 -39.76511 -36.44858 3.31652 2.36120 -36.88264 1127.28245
2725.0000 -39.60310 -37.23905 2.36405 2.38059 -36.74940 1137.15188
2730.0000 -40.75627 -39.09245 1.66382 2.19580 -38.01861 950.05672
2735.0000 -40.75642 -38.51914 2.23728 2.14560 -38.36337 865.34893
2740.0000 -40.12964 -37.74554 2.38410 2.17258 -38.17809 925.80703
2745.0000 -40.26618 -37.83007 2.43612 2.10301 -38.65596 851.93115
2750.0000 -39.70570 -37.20419 2.50151 2.28750 -37.38881 1077.83892
FREEZING PROCESS: loop number 12 T-loop= 938.00000000000000
main_MD> interactions number 12 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.95224 -2.98970 1.60184
force_rgl> df(natom) 1.39216 0.43826 2.10776
2755.0000 -40.12006 -37.53348 2.58658 2.29730 -37.32151 1011.62948
2760.0000 -40.47550 -38.85162 1.62388 2.14714 -38.35280 911.51702
2765.0000 -40.76014 -39.33211 1.42803 1.99690 -39.38474 713.50493
2770.0000 -41.02804 -39.29794 1.73010 2.02595 -39.18522 770.01906
2775.0000 -40.65442 -38.96928 1.68514 2.03832 -39.10025 780.11772
2780.0000 -40.35734 -38.07506 2.28229 2.12696 -38.49145 880.39636
2785.0000 -40.67936 -38.17814 2.50122 2.15143 -38.32335 946.23369
2790.0000 -40.44932 -38.46878 1.98054 2.14926 -38.33828 911.75506
2795.0000 -40.22507 -37.83727 2.38780 2.25200 -37.63259 1000.85742
2800.0000 -40.47282 -37.75748 2.71535 2.23573 -37.74440 993.58418
2805.0000 -39.90340 -38.33411 1.56929 2.24060 -37.71092 1075.24875
2810.0000 -40.19587 -37.93832 2.25755 2.16459 -38.23300 855.56469
2815.0000 -40.37096 -38.15789 2.21307 2.13739 -38.41978 853.34108
2820.0000 -40.93873 -39.37411 1.56462 2.08829 -38.75703 857.76024
2825.0000 -40.95699 -39.57253 1.38446 1.96653 -39.59331 672.58328
2830.0000 -41.53487 -39.43166 2.10320 2.01766 -39.24215 794.02644
2835.0000 -40.78342 -38.82665 1.95678 2.08841 -38.75619 878.74185
2840.0000 -40.42250 -37.85396 2.56855 2.13661 -38.42514 856.50383
2845.0000 -39.44653 -37.73583 1.71071 2.16240 -38.24800 886.61568
2850.0000 -39.94417 -37.28322 2.66095 2.22469 -37.82017 977.04513
2855.0000 -40.96199 -39.11324 1.84875 2.13957 -38.40481 904.87858
2860.0000 -40.68600 -38.04524 2.64076 2.07697 -38.83478 820.69937
2865.0000 -40.81319 -38.64216 2.17103 2.11036 -38.60546 873.15808
2870.0000 -40.53147 -38.24535 2.28612 2.12367 -38.51406 907.48468
2875.0000 -40.85183 -39.44597 1.40586 2.09175 -38.73329 864.61001
2880.0000 -40.91992 -39.32947 1.59045 1.97654 -39.52459 720.96013
2885.0000 -39.78602 -38.24609 1.53993 2.14463 -38.37009 875.60526
2890.0000 -40.61914 -38.29258 2.32656 2.13609 -38.42873 828.23258
2895.0000 -40.70001 -38.75796 1.94205 2.12543 -38.50197 888.09598
2900.0000 -40.31130 -38.25592 2.05538 2.10505 -38.64188 841.03640
2905.0000 -41.12532 -38.68074 2.44458 2.08622 -38.77127 857.13930
2910.0000 -40.62828 -38.55157 2.07671 2.09694 -38.69765 801.85330
2915.0000 -40.72232 -37.90598 2.81634 2.21253 -37.90373 980.75403
2920.0000 -39.45955 -37.58715 1.87240 2.22700 -37.80432 904.35577
2925.0000 -40.98328 -39.50633 1.47695 2.14886 -38.34105 923.86194
2930.0000 -41.38276 -38.77633 2.60643 2.07905 -38.82046 815.82168
2935.0000 -40.09499 -38.31566 1.77933 2.16516 -38.22909 967.19135
2940.0000 -39.75134 -37.52103 2.23031 2.23138 -37.77422 942.96612
2945.0000 -40.08855 -37.82914 2.25941 2.24451 -37.68406 941.98127
2950.0000 -39.44620 -37.54839 1.89781 2.27343 -37.48543 1037.82672
2955.0000 -40.75657 -39.14385 1.61271 2.13876 -38.41039 851.71083
2960.0000 -39.92400 -37.29829 2.62570 2.19792 -38.00403 918.09117
2965.0000 -40.42845 -37.58845 2.84000 2.26137 -37.56829 1007.07181
2970.0000 -40.68818 -38.24258 2.44561 2.10907 -38.61428 880.53398
2975.0000 -40.26377 -38.46179 1.80199 2.15858 -38.27425 937.72790
2980.0000 -41.30185 -39.35749 1.94436 2.05219 -39.00496 805.37032
2985.0000 -40.20646 -37.90948 2.29698 2.11896 -38.54641 899.35852
2990.0000 -39.35410 -36.53888 2.81522 2.29985 -37.30400 1100.95404
2995.0000 -39.01929 -36.04765 2.97164 2.42731 -36.42857 1224.90367
3000.0000 -40.05590 -37.86872 2.18718 2.33784 -37.04305 1095.20765
FREEZING PROCESS: loop number 13 T-loop= 913.00000000000000
main_MD> interactions number 13 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.52274 -0.67011 -0.23270
force_rgl> df(natom) 0.86955 0.06373 -0.83774
3005.0000 -40.45615 -38.05222 2.40393 2.28482 -37.40718 1000.31933
3010.0000 -40.29034 -37.06085 3.22949 2.22588 -37.81200 867.63113
3015.0000 -39.50541 -37.07817 2.42724 2.36270 -36.87231 1138.47075
3020.0000 -39.94520 -37.71706 2.22814 2.25954 -37.58081 1023.77663
3025.0000 -40.41286 -38.63462 1.77824 2.14523 -38.36594 946.68700
3030.0000 -39.94086 -37.29908 2.64178 2.18918 -38.06412 959.87423
3035.0000 -39.87157 -38.13268 1.73888 2.22530 -37.81598 946.81309
3040.0000 -41.09308 -38.61042 2.48266 2.16297 -38.24413 881.05639
3045.0000 -40.80730 -38.65595 2.15135 2.11988 -38.54005 865.44341
3050.0000 -40.40259 -38.66173 1.74085 2.16553 -38.22649 911.19678
3055.0000 -41.35021 -38.61693 2.73328 2.00612 -39.32138 744.97564
3060.0000 -40.94905 -38.38274 2.56630 2.12666 -38.49351 899.09821
3065.0000 -39.92262 -37.63727 2.28535 2.22144 -37.84251 1020.59417
3070.0000 -40.43866 -38.14711 2.29155 2.26571 -37.53846 933.23045
3075.0000 -40.33265 -38.42589 1.90676 2.16865 -38.20512 944.86714
3080.0000 -41.08386 -38.49753 2.58633 2.11974 -38.54100 859.17720
3085.0000 -39.42440 -36.78095 2.64345 2.18862 -38.06796 924.81637
3090.0000 -38.92517 -37.19758 1.72759 2.36178 -36.87862 1111.75775
3095.0000 -39.70118 -37.46799 2.23319 2.32542 -37.12833 1064.94441
3100.0000 -40.35051 -38.83524 1.51527 2.18871 -38.06732 877.36490
3105.0000 -41.24194 -39.19136 2.05058 2.08275 -38.79510 850.06838
3110.0000 -40.46653 -38.69564 1.77089 2.09466 -38.71329 857.87169
3115.0000 -40.49438 -38.18651 2.30787 2.18996 -38.05873 928.18496
3120.0000 -40.48754 -38.86132 1.62622 2.15638 -38.28935 899.58530
3125.0000 -40.71119 -38.67494 2.03625 2.08547 -38.77641 805.39875
3130.0000 -40.46309 -38.71875 1.74433 2.10322 -38.65446 887.27689
3135.0000 -40.57031 -38.38642 2.18389 2.13218 -38.45561 897.25042
3140.0000 -39.65210 -38.29245 1.35965 2.12480 -38.50626 851.18386
3145.0000 -40.11319 -38.27059 1.84259 2.10006 -38.67621 871.91811
3150.0000 -40.42638 -38.86786 1.55852 2.13332 -38.44773 876.56777
3155.0000 -41.27673 -39.50396 1.77277 2.03788 -39.10323 748.38988
3160.0000 -41.34818 -39.22345 2.12474 1.96369 -39.61279 694.28346
3165.0000 -40.67641 -38.44447 2.23194 2.06431 -38.92174 792.49570
3170.0000 -40.40727 -38.07249 2.33478 2.16079 -38.25909 917.36888
3175.0000 -40.03250 -38.39382 1.63868 2.25903 -37.58433 1014.96674
3180.0000 -40.24315 -38.68660 1.55655 2.10565 -38.63780 900.51514
3185.0000 -40.90060 -38.71561 2.18500 2.16086 -38.25857 916.02960
3190.0000 -40.42424 -38.14643 2.27782 2.15095 -38.32665 926.75473
3195.0000 -39.56990 -37.30464 2.26527 2.28055 -37.43655 1047.66372
3200.0000 -40.43965 -38.02097 2.41868 2.20184 -37.97715 964.78164
3205.0000 -40.04615 -37.98486 2.06129 2.22078 -37.84705 963.30270
3210.0000 -39.52264 -37.00470 2.51794 2.26853 -37.51906 1041.25683
3215.0000 -40.04482 -37.88512 2.15970 2.24579 -37.67529 935.30413
3220.0000 -39.72528 -37.90607 1.81920 2.26451 -37.54673 1037.83940
3225.0000 -40.46422 -37.60622 2.85800 2.34744 -36.97714 1099.23431
3230.0000 -40.64706 -38.79102 1.85604 2.16085 -38.25869 889.00698
3235.0000 -40.10617 -38.67906 1.42711 2.10083 -38.67091 772.11325
3240.0000 -40.67760 -38.99547 1.68213 2.06481 -38.91828 842.91905
3245.0000 -39.91066 -37.75071 2.15994 2.04056 -39.08483 731.98954
3250.0000 -39.90952 -36.69317 3.21635 2.26870 -37.51795 1046.01820
FREEZING PROCESS: loop number 14 T-loop= 888.00000000000000
main_MD> interactions number 14 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.68434 2.33919 0.12635
force_rgl> df(natom) 2.63589 1.42017 1.60405
3255.0000 -39.72246 -37.51561 2.20686 2.28254 -37.42286 1060.30103
3260.0000 -40.49452 -38.99275 1.50177 2.11613 -38.56583 726.14264
3265.0000 -40.55113 -38.83402 1.71711 2.04049 -39.08536 743.05412
3270.0000 -40.69420 -37.83511 2.85909 2.17360 -38.17107 967.88523
3275.0000 -40.85221 -39.07231 1.77990 2.12870 -38.47947 898.87714
3280.0000 -40.37179 -38.52647 1.84532 2.08852 -38.75542 873.43741
3285.0000 -40.98578 -38.61842 2.36736 2.09454 -38.71408 859.70032
3290.0000 -41.24080 -39.00773 2.23307 2.06859 -38.89230 817.53683
3295.0000 -40.72202 -38.85757 1.86445 2.02855 -39.16733 754.38022
3300.0000 -40.33478 -38.61657 1.71821 2.08626 -38.77097 858.37691
3305.0000 -40.70611 -38.46935 2.23676 2.18453 -38.09604 982.59699
3310.0000 -40.45048 -38.09635 2.35413 2.17486 -38.16247 949.48997
3315.0000 -39.91369 -38.00056 1.91313 2.15993 -38.26501 853.55360
3320.0000 -40.41765 -38.72253 1.69512 2.21074 -37.91602 943.61475
3325.0000 -40.43313 -38.76403 1.66910 2.04986 -39.02099 760.77921
3330.0000 -40.67488 -38.41636 2.25852 2.05350 -38.99598 783.43211
3335.0000 -40.52463 -38.32919 2.19544 2.11305 -38.58694 891.73025
3340.0000 -41.02909 -38.92053 2.10856 2.11499 -38.57366 839.45741
3345.0000 -40.54083 -38.68839 1.85244 2.12751 -38.48768 931.78028
3350.0000 -41.06556 -38.63469 2.43087 2.11010 -38.60722 802.12006
3355.0000 -40.42397 -38.53103 1.89293 2.17152 -38.18541 944.89429
3360.0000 -41.24483 -39.00546 2.23937 2.01993 -39.22653 758.87851
3365.0000 -40.53438 -38.57436 1.96002 2.06399 -38.92390 817.94046
3370.0000 -41.14808 -37.87971 3.26838 2.12541 -38.50205 903.80668
3375.0000 -40.20640 -38.37466 1.83175 2.13437 -38.44051 870.46999
3380.0000 -40.94201 -39.05387 1.88814 2.06062 -38.94709 845.40707
3385.0000 -40.26795 -38.47522 1.79272 2.09913 -38.68256 862.31163
3390.0000 -40.94171 -38.68925 2.25246 2.07320 -38.86067 869.26262
3395.0000 -39.92118 -38.49876 1.42242 2.10749 -38.62518 889.49624
3400.0000 -40.62745 -38.27639 2.35106 2.10999 -38.60796 856.44756
3405.0000 -39.45226 -37.16110 2.29116 2.26923 -37.51428 1090.44935
3410.0000 -39.17692 -36.41570 2.76121 2.35576 -36.91997 1083.25643
3415.0000 -40.49839 -37.89801 2.60038 2.25983 -37.57882 970.34230
3420.0000 -41.12691 -38.37160 2.75531 2.18687 -38.07992 969.32239
3425.0000 -39.46119 -37.64159 1.81959 2.16754 -38.21271 878.28070
3430.0000 -40.23438 -38.91478 1.31960 2.13223 -38.45526 849.04548
3435.0000 -40.59501 -38.25084 2.34417 2.08937 -38.74963 763.60550
3440.0000 -40.25976 -38.82709 1.43266 2.17840 -38.13815 915.40177
3445.0000 -40.24491 -38.14578 2.09913 2.14848 -38.34365 875.73544
3450.0000 -40.43860 -37.96651 2.47208 2.13921 -38.40727 887.89220
3455.0000 -40.11301 -38.29964 1.81338 2.15691 -38.28572 872.31111
3460.0000 -40.26148 -38.56076 1.70072 2.07334 -38.85974 833.80171
3465.0000 -40.80288 -39.17162 1.63126 1.99312 -39.41069 709.68226
3470.0000 -40.42109 -39.11121 1.30988 2.04187 -39.07584 742.48048
3475.0000 -41.46466 -39.39367 2.07099 2.04539 -39.05171 732.77469
3480.0000 -39.93092 -38.32340 1.60753 2.08613 -38.77184 808.28571
3485.0000 -40.27558 -38.34910 1.92648 2.18280 -38.10789 912.94555
3490.0000 -40.18868 -38.32620 1.86248 2.09802 -38.69018 848.87072
3495.0000 -40.34573 -38.52262 1.82310 2.06724 -38.90161 827.64538
3500.0000 -40.08624 -37.93849 2.14775 2.16093 -38.25814 864.44614
FREEZING PROCESS: loop number 15 T-loop= 863.00000000000000
main_MD> interactions number 15 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.66172 0.28333 -0.21214
force_rgl> df(natom) 2.03701 -1.56634 0.43833
3505.0000 -40.01360 -37.89794 2.11566 2.18720 -38.07770 882.91676
3510.0000 -39.67451 -37.39791 2.27659 2.24380 -37.68891 1001.16485
3515.0000 -40.58841 -38.26382 2.32459 2.22579 -37.81262 968.99024
3520.0000 -41.12935 -39.56518 1.56417 2.12268 -38.52080 842.01068
3525.0000 -41.16015 -39.32797 1.83218 1.99833 -39.37491 759.10448
3530.0000 -40.47933 -38.77609 1.70324 2.09651 -38.70055 873.89576
3535.0000 -40.83599 -38.53934 2.29664 2.13498 -38.43631 799.05821
3540.0000 -39.90240 -37.90848 1.99393 2.14322 -38.37974 887.07337
3545.0000 -40.76677 -38.99143 1.77533 2.18687 -38.07996 853.70833
3550.0000 -41.23489 -39.39708 1.83781 2.03967 -39.09094 802.90423
3555.0000 -40.84917 -39.75380 1.09537 2.02927 -39.16239 720.06930
3560.0000 -41.10527 -39.15719 1.94808 2.02122 -39.21766 783.60267
3565.0000 -40.36124 -38.47647 1.88477 2.06027 -38.94949 767.80215
3570.0000 -40.13482 -38.05288 2.08194 2.15865 -38.27375 892.40793
3575.0000 -39.90812 -37.86329 2.04483 2.17568 -38.15681 927.16255
3580.0000 -40.40319 -38.34806 2.05513 2.13783 -38.41674 909.51401
3585.0000 -40.12838 -37.51251 2.61587 2.20327 -37.96728 905.27736
3590.0000 -40.23938 -37.88649 2.35289 2.24567 -37.67612 974.75179
3595.0000 -40.20249 -38.22636 1.97613 2.15026 -38.33143 889.96218
3600.0000 -40.03598 -37.61467 2.42132 2.18666 -38.08137 923.93954
3605.0000 -40.93404 -39.23838 1.69567 2.13917 -38.40757 914.77048
3610.0000 -41.17429 -39.24147 1.93282 2.04367 -39.06347 779.72921
3615.0000 -40.72227 -38.18855 2.53372 2.07850 -38.82428 804.74482
3620.0000 -40.59608 -38.26292 2.33316 2.21706 -37.87258 931.80007
3625.0000 -40.84471 -38.76541 2.07931 2.16146 -38.25448 938.70636
3630.0000 -40.13031 -38.08880 2.04151 2.13377 -38.44467 875.40947
3635.0000 -39.89662 -37.76465 2.13197 2.23206 -37.76959 1005.39577
3640.0000 -40.27401 -38.55561 1.71840 2.23892 -37.72248 989.97779
3645.0000 -40.14989 -38.62858 1.52132 2.10180 -38.66423 800.91383
3650.0000 -40.63422 -38.54774 2.08648 2.15461 -38.30149 929.67009
3655.0000 -40.75974 -38.70786 2.05188 2.08792 -38.75956 812.19560
3660.0000 -40.20977 -38.34627 1.86350 2.14777 -38.34850 877.21817
3665.0000 -40.65823 -38.06348 2.59475 2.18501 -38.09273 929.79651
3670.0000 -41.62092 -39.47647 2.14445 2.07434 -38.85281 808.23920
3675.0000 -40.70472 -39.06743 1.63729 2.01342 -39.27127 804.76249
3680.0000 -40.87130 -38.95266 1.91864 2.01766 -39.24214 785.90008
3685.0000 -40.36851 -38.98547 1.38304 2.14474 -38.36928 901.78983
3690.0000 -41.17593 -39.40566 1.77028 2.06325 -38.92898 800.70865
3695.0000 -40.80300 -39.44188 1.36112 1.99731 -39.38189 713.79842
3700.0000 -41.43279 -39.59278 1.84001 1.99365 -39.40701 690.78756
3705.0000 -40.60376 -38.44342 2.16034 2.03074 -39.15229 763.07983
3710.0000 -41.26404 -39.60608 1.65796 2.01272 -39.27604 740.03447
3715.0000 -40.86791 -39.28156 1.58636 2.01341 -39.27133 739.84810
3720.0000 -41.51193 -39.34467 2.16726 2.00978 -39.29626 745.13314
3725.0000 -40.06246 -38.11171 1.95075 2.11772 -38.55488 838.59165
3730.0000 -40.53786 -38.53015 2.00771 2.11586 -38.56766 861.28401
3735.0000 -39.79377 -38.18380 1.60997 2.09121 -38.73698 796.16836
3740.0000 -40.62148 -38.14184 2.47963 2.15410 -38.30501 903.27947
3745.0000 -39.59211 -37.52112 2.07099 2.21090 -37.91490 996.88356
3750.0000 -40.11927 -38.69995 1.41931 2.22879 -37.79204 893.15564
FREEZING PROCESS: loop number 16 T-loop= 838.00000000000000
main_MD> interactions number 16 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79040 3.02754 0.58740
force_rgl> df(natom) -0.52330 -0.59559 -1.84550
3755.0000 -40.13195 -38.09399 2.03796 2.12844 -38.48127 860.51852
3760.0000 -40.80571 -38.63649 2.16922 2.16434 -38.23469 949.16431
3765.0000 -40.16650 -38.78607 1.38043 2.06461 -38.91969 860.76523
3770.0000 -40.74693 -38.96418 1.78275 2.10902 -38.61466 842.56628
3775.0000 -41.11416 -39.71103 1.40314 2.07381 -38.85650 807.58855
3780.0000 -41.61542 -40.44490 1.17053 1.93024 -39.84256 622.85223
3785.0000 -41.01838 -39.38132 1.63706 1.93011 -39.84345 641.98236
3790.0000 -41.59831 -39.70764 1.89067 1.98316 -39.47911 760.89439
3795.0000 -41.51635 -39.86125 1.65510 1.91835 -39.92425 681.02455
3800.0000 -41.17670 -39.20847 1.96822 2.03242 -39.14077 794.16447
3805.0000 -40.63923 -38.80664 1.83259 1.99149 -39.42189 778.04733
3810.0000 -41.02186 -38.89037 2.13149 2.05495 -38.98603 846.96628
3815.0000 -40.24544 -38.41081 1.83463 2.12580 -38.49943 876.61236
3820.0000 -40.91526 -38.94215 1.97312 2.08658 -38.76877 835.15965
3825.0000 -41.14622 -39.20764 1.93858 2.10399 -38.64922 897.07747
3830.0000 -41.03246 -39.10117 1.93129 2.00227 -39.34786 764.97124
3835.0000 -40.32166 -38.27537 2.04630 2.08712 -38.76507 860.78025
3840.0000 -40.65914 -38.50501 2.15413 2.14172 -38.39008 953.01490
3845.0000 -41.00829 -38.80136 2.20693 2.09166 -38.73385 931.72738
3850.0000 -39.68197 -37.80798 1.87399 2.13219 -38.45551 886.14588
3855.0000 -40.18704 -37.73727 2.44977 2.22559 -37.81400 1002.88880
3860.0000 -41.18961 -38.45615 2.73346 2.21134 -37.91188 968.91539
3865.0000 -40.15958 -37.52501 2.63457 2.22404 -37.82465 945.35034
3870.0000 -40.14120 -38.00717 2.13403 2.23480 -37.75075 1030.67919
3875.0000 -40.71408 -38.89064 1.82344 2.08247 -38.79700 804.64422
3880.0000 -40.63611 -38.35918 2.27693 2.14366 -38.37673 887.79913
3885.0000 -39.49059 -38.08220 1.40839 2.15227 -38.31761 817.67379
3890.0000 -40.51498 -38.57406 1.94092 2.14702 -38.35366 834.36288
3895.0000 -40.27722 -37.89614 2.38108 2.19728 -38.00844 948.52830
3900.0000 -39.40347 -37.75655 1.64692 2.20637 -37.94603 957.18170
3905.0000 -39.28917 -37.59416 1.69501 2.23597 -37.74274 991.80700
3910.0000 -40.68486 -38.85136 1.83349 2.20057 -37.98584 947.03011
3915.0000 -40.72783 -38.93190 1.79594 2.04786 -39.03473 798.62179
3920.0000 -40.62521 -38.26375 2.36146 2.15743 -38.28217 898.59166
3925.0000 -40.78452 -38.57318 2.21134 2.10641 -38.63257 885.19612
3930.0000 -41.02031 -39.64308 1.37722 1.98470 -39.46850 745.74377
3935.0000 -41.75169 -40.14141 1.61028 1.90631 -40.00690 635.14231
3940.0000 -41.07360 -38.55501 2.51859 1.99386 -39.40563 746.70297
3945.0000 -40.34770 -37.57430 2.77341 2.24567 -37.67613 1000.99077
3950.0000 -40.06372 -37.12946 2.93425 2.29120 -37.36340 1020.41949
3955.0000 -39.73215 -37.77849 1.95365 2.29144 -37.36172 963.70179
3960.0000 -41.00640 -39.17902 1.82738 2.12106 -38.53195 892.25277
3965.0000 -41.03858 -38.87302 2.16557 2.09624 -38.70240 889.24058
3970.0000 -39.61416 -37.53116 2.08300 2.10585 -38.63639 855.57464
3975.0000 -40.34883 -38.46473 1.88410 2.20505 -37.95508 1002.33858
3980.0000 -40.84800 -39.42705 1.42095 2.08434 -38.78418 830.44300
3985.0000 -41.04048 -39.44893 1.59155 1.96764 -39.58567 705.63401
3990.0000 -41.28859 -39.18899 2.09960 2.02832 -39.16894 787.11737
3995.0000 -40.95228 -39.23326 1.71902 2.05313 -38.99854 805.35500
4000.0000 -40.33517 -37.76228 2.57290 2.15243 -38.31653 875.45183
FREEZING PROCESS: loop number 17 T-loop= 813.00000000000000
main_MD> interactions number 17 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.10770 -5.06004 -4.12631
force_rgl> df(natom) -1.99990 -1.14937 1.00017
4005.0000 -40.46300 -38.19586 2.26714 2.19689 -38.01115 938.90071
4010.0000 -40.15206 -38.14813 2.00393 2.22887 -37.79148 925.25280
4015.0000 -40.12240 -37.06584 3.05656 2.24392 -37.68814 946.69869
4020.0000 -40.53295 -38.56298 1.96996 2.26108 -37.57023 887.49673
4025.0000 -40.21083 -38.28425 1.92659 2.14151 -38.39153 891.39705
4030.0000 -40.60882 -38.06306 2.54576 2.14389 -38.37516 875.97488
4035.0000 -40.51999 -38.42100 2.09899 2.14203 -38.38794 877.43951
4040.0000 -40.88090 -39.37775 1.50315 1.99133 -39.42297 722.89410
4045.0000 -40.61888 -39.21884 1.40004 2.02426 -39.19680 750.02109
4050.0000 -40.57795 -38.32687 2.25108 2.09941 -38.68065 870.96592
4055.0000 -41.00891 -38.55798 2.45093 2.16255 -38.24700 914.23239
4060.0000 -40.11812 -38.92806 1.19006 2.07309 -38.86141 811.89852
4065.0000 -40.85336 -39.43191 1.42145 2.03012 -39.15656 762.39891
4070.0000 -40.30417 -38.58095 1.72323 2.07896 -38.82111 801.24730
4075.0000 -40.22957 -38.48864 1.74093 2.09914 -38.68254 914.49686
4080.0000 -41.02305 -39.07591 1.94715 2.07762 -38.83028 881.85954
4085.0000 -41.01845 -39.49448 1.52397 1.98494 -39.46685 707.53128
4090.0000 -40.99167 -39.12238 1.86929 2.02623 -39.18326 808.56793
4095.0000 -41.60167 -39.95824 1.64342 1.92659 -39.86764 644.86125
4100.0000 -41.18313 -39.87595 1.30718 1.94719 -39.72615 660.91212
4105.0000 -41.21975 -39.49961 1.72014 1.96104 -39.63100 680.61294
4110.0000 -40.51816 -38.88044 1.63772 2.03439 -39.12726 812.92177
4115.0000 -40.86884 -38.95138 1.91745 2.06712 -38.90240 796.95964
4120.0000 -41.19245 -38.99842 2.19403 2.06073 -38.94635 816.67605
4125.0000 -41.04304 -38.81558 2.22745 2.06421 -38.92240 812.47688
4130.0000 -41.02325 -38.61573 2.40752 2.08187 -38.80115 828.43464
4135.0000 -40.61076 -38.38842 2.22234 2.09804 -38.69009 780.34337
4140.0000 -40.49128 -38.64936 1.84192 2.09974 -38.67841 802.77275
4145.0000 -41.10662 -39.71476 1.39187 2.03123 -39.14891 775.80090
4150.0000 -41.46180 -39.74377 1.71803 2.01700 -39.24667 775.12091
4155.0000 -40.61841 -39.12046 1.49795 2.02961 -39.16003 748.68355
4160.0000 -40.84190 -39.05842 1.78348 2.03549 -39.11965 808.68065
4165.0000 -40.49161 -38.86376 1.62785 2.09230 -38.72950 833.94869
4170.0000 -39.87931 -38.55992 1.31938 2.10507 -38.64175 827.39416
4175.0000 -40.37950 -37.99704 2.38246 2.18036 -38.12466 975.02615
4180.0000 -40.76388 -38.54522 2.21866 2.19702 -38.01021 979.22776
4185.0000 -40.79962 -38.86948 1.93014 2.11748 -38.55654 925.06878
4190.0000 -41.32206 -39.48968 1.83238 2.04137 -39.07929 798.93674
4195.0000 -41.12932 -39.51237 1.61695 1.99875 -39.37203 753.35996
4200.0000 -40.94456 -38.72229 2.22227 2.00535 -39.32670 793.56118
4205.0000 -41.46485 -40.14460 1.32024 1.96879 -39.57776 718.47738
4210.0000 -41.16452 -39.80815 1.35637 1.89313 -40.09744 606.20119
4215.0000 -40.95813 -39.37870 1.57944 1.96587 -39.59787 701.77071
4220.0000 -40.82821 -38.97180 1.85641 2.02585 -39.18590 776.13262
4225.0000 -40.81632 -39.60548 1.21084 2.00077 -39.35815 725.48071
4230.0000 -40.58810 -38.34931 2.23880 2.03717 -39.10813 786.28930
4235.0000 -40.76843 -39.38902 1.37941 1.98915 -39.43793 712.14433
4240.0000 -41.22038 -39.10960 2.11078 2.05799 -38.96516 812.08937
4245.0000 -41.24471 -39.00237 2.24233 2.07089 -38.87650 808.42636
4250.0000 -41.13944 -39.51450 1.62494 2.02789 -39.17184 777.42227
FREEZING PROCESS: loop number 18 T-loop= 788.00000000000000
main_MD> interactions number 18 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.14573 -2.55066 -1.36050
force_rgl> df(natom) -1.04823 2.29416 0.82579
4255.0000 -41.59683 -40.03366 1.56317 1.96243 -39.62150 711.12553
4260.0000 -41.56105 -39.73298 1.82807 1.88005 -40.18726 614.06786
4265.0000 -41.39691 -39.37699 2.01992 1.99415 -39.40358 688.61511
4270.0000 -40.65687 -39.08411 1.57276 2.01012 -39.29396 749.69531
4275.0000 -39.94873 -38.41628 1.53246 2.10664 -38.63100 859.80727
4280.0000 -41.51548 -39.51542 2.00007 2.02530 -39.18967 735.88383
4285.0000 -40.80415 -38.88206 1.92209 2.05486 -38.98662 819.27720
4290.0000 -40.95299 -38.83801 2.11497 2.09231 -38.72945 865.97355
4295.0000 -40.62327 -39.21979 1.40348 2.00053 -39.35982 777.46841
4300.0000 -41.14602 -39.05348 2.09254 2.05764 -38.96755 789.43941
4305.0000 -39.72261 -38.29104 1.43157 2.06696 -38.90352 819.68020
4310.0000 -40.34358 -38.68447 1.65911 2.14226 -38.38636 869.17547
4315.0000 -41.01634 -39.10450 1.91184 2.06086 -38.94539 765.43892
4320.0000 -40.79018 -39.24437 1.54581 2.05114 -39.01218 811.35938
4325.0000 -40.93797 -39.00501 1.93296 1.99031 -39.42997 743.34317
4330.0000 -41.07908 -39.53931 1.53977 2.02620 -39.18346 765.87507
4335.0000 -41.63587 -40.02777 1.60810 1.95433 -39.67708 666.21123
4340.0000 -41.24281 -39.82125 1.42157 1.94374 -39.74985 696.46322
4345.0000 -40.97410 -39.60975 1.36436 1.97678 -39.52290 679.69804
4350.0000 -41.33774 -39.29750 2.04024 1.97517 -39.53398 701.05540
4355.0000 -41.05241 -39.41071 1.64170 1.98014 -39.49984 709.81504
4360.0000 -41.55552 -40.14674 1.40878 1.90291 -40.03024 602.61550
4365.0000 -40.98590 -39.17378 1.81213 1.94582 -39.73558 632.36532
4370.0000 -41.77993 -39.69074 2.08920 1.94510 -39.74053 693.85070
4375.0000 -40.54541 -38.55501 1.99040 2.04886 -39.02785 825.92613
4380.0000 -40.55863 -38.82249 1.73614 2.13987 -38.40277 859.90753
4385.0000 -41.03485 -39.75333 1.28152 1.99435 -39.40226 703.90881
4390.0000 -40.79147 -39.13258 1.65889 1.98475 -39.46819 676.26492
4395.0000 -40.61866 -38.27137 2.34729 2.16244 -38.24777 887.52934
4400.0000 -41.06238 -38.96915 2.09324 2.07998 -38.81412 828.16564
4405.0000 -41.31710 -39.62012 1.69698 2.01766 -39.24214 727.42472
4410.0000 -40.76454 -39.33459 1.42995 2.03417 -39.12876 759.52308
4415.0000 -41.58526 -39.70971 1.87555 1.97306 -39.54847 680.47652
4420.0000 -40.98659 -39.80490 1.18170 1.93601 -39.80293 648.40181
4425.0000 -40.49914 -38.97623 1.52291 1.99533 -39.39552 707.67045
4430.0000 -40.65826 -39.16622 1.49204 2.02770 -39.17315 751.73562
4435.0000 -40.98544 -39.36448 1.62096 1.99776 -39.37880 747.29553
4440.0000 -40.92694 -39.17628 1.75066 1.97558 -39.53114 685.99736
4445.0000 -40.99257 -38.53327 2.45930 2.06788 -38.89722 830.21363
4450.0000 -40.27610 -39.07707 1.19903 2.08503 -38.77940 784.22063
4455.0000 -41.55309 -39.52360 2.02949 2.02935 -39.16186 783.15390
4460.0000 -41.68980 -39.16065 2.52915 2.03246 -39.14050 794.68790
4465.0000 -41.00050 -39.56543 1.43507 2.03432 -39.12768 752.08187
4470.0000 -41.21242 -39.49861 1.71382 2.02094 -39.21958 675.44675
4475.0000 -40.94625 -38.92799 2.01826 2.02988 -39.15823 807.71259
4480.0000 -41.11003 -39.49417 1.61586 2.03020 -39.15597 802.35369
4485.0000 -41.17181 -39.88772 1.28408 1.94063 -39.77121 656.72613
4490.0000 -41.60119 -39.22860 2.37260 1.97824 -39.51288 745.33962
4495.0000 -41.81761 -40.37357 1.44403 1.93638 -39.80036 709.98350
4500.0000 -41.38609 -39.81913 1.56696 1.90972 -39.98353 647.95148
FREEZING PROCESS: loop number 19 T-loop= 763.00000000000000
main_MD> interactions number 19 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64083 -1.61230 -1.15801
force_rgl> df(natom) -1.17964 2.68779 1.36609
4505.0000 -41.60659 -39.80963 1.79696 1.89972 -40.05218 643.64725
4510.0000 -40.50999 -38.76300 1.74699 2.00159 -39.35254 694.37120
4515.0000 -41.20451 -39.02422 2.18029 2.03965 -39.09107 791.44203
4520.0000 -41.10406 -40.15829 0.94577 1.95162 -39.69574 670.08756
4525.0000 -41.27599 -39.37904 1.89695 1.95976 -39.63978 670.23323
4530.0000 -41.62842 -39.30730 2.32112 2.01376 -39.26890 778.06333
4535.0000 -41.47388 -39.78004 1.69384 1.96863 -39.57892 707.48536
4540.0000 -40.65988 -38.09627 2.56361 2.04941 -39.02408 775.44936
4545.0000 -39.64616 -37.99941 1.64675 2.19042 -38.05557 930.28598
4550.0000 -40.46548 -38.81188 1.65360 2.15276 -38.31420 851.42352
4555.0000 -40.69057 -38.85684 1.83373 2.09628 -38.70217 834.54030
4560.0000 -40.54543 -39.01421 1.53121 2.04047 -39.08549 766.05668
4565.0000 -41.50305 -39.21626 2.28679 2.05693 -38.97244 830.65875
4570.0000 -41.50501 -39.87507 1.62994 1.93714 -39.79514 714.56988
4575.0000 -41.32626 -38.62634 2.69993 2.04091 -39.08244 802.36431
4580.0000 -40.72322 -38.65742 2.06581 2.07711 -38.83378 812.87737
4585.0000 -40.63272 -38.67067 1.96205 2.06615 -38.90910 837.02455
4590.0000 -40.93879 -39.45269 1.48610 1.99409 -39.40401 717.89734
4595.0000 -40.90266 -38.60737 2.29529 2.02399 -39.19864 758.10915
4600.0000 -40.96945 -39.27951 1.68993 2.07622 -38.83994 771.43737
4605.0000 -41.23402 -39.41768 1.81634 1.98998 -39.43225 677.59059
4610.0000 -40.32883 -38.57253 1.75630 2.02839 -39.16845 728.72903
4615.0000 -41.50352 -39.24466 2.25886 2.06561 -38.91280 773.54379
4620.0000 -40.98230 -39.14425 1.83805 2.02443 -39.19561 750.00006
4625.0000 -41.40323 -39.66727 1.73595 1.94905 -39.71338 681.71113
4630.0000 -41.25863 -39.12214 2.13649 1.97003 -39.56926 709.76531
4635.0000 -40.95930 -39.16303 1.79627 2.03050 -39.15396 784.98670
4640.0000 -41.07294 -39.22329 1.84965 2.03697 -39.10951 811.89071
4645.0000 -40.72002 -39.53454 1.18548 1.98856 -39.44200 743.69529
4650.0000 -41.33687 -39.79609 1.54078 1.97123 -39.56104 727.04011
4655.0000 -40.95956 -39.00192 1.95765 2.05824 -38.96340 819.11590
4660.0000 -40.95953 -39.10000 1.85953 2.03977 -39.09030 780.72434
4665.0000 -40.96326 -38.50878 2.45447 2.03357 -39.13285 761.69648
4670.0000 -39.85142 -37.95431 1.89712 2.15393 -38.30617 901.11650
4675.0000 -39.31184 -37.40461 1.90723 2.25638 -37.60251 978.68937
4680.0000 -40.50617 -38.30367 2.20250 2.23711 -37.73490 901.36169
4685.0000 -41.37552 -39.67488 1.70064 2.02968 -39.15956 758.14017
4690.0000 -41.66949 -39.51612 2.15336 2.02650 -39.18142 777.88337
4695.0000 -41.55363 -39.73386 1.81977 1.95177 -39.69467 693.21543
4700.0000 -40.81674 -39.62148 1.19526 1.92136 -39.90355 647.04018
4705.0000 -40.86933 -39.15451 1.71482 1.98420 -39.47197 721.02397
4710.0000 -40.75857 -39.17038 1.58819 1.97584 -39.52938 705.31061
4715.0000 -41.14427 -39.11131 2.03295 2.06411 -38.92308 805.32375
4720.0000 -41.37968 -39.45438 1.92530 2.01165 -39.28341 773.99592
4725.0000 -41.62855 -39.90806 1.72049 1.95639 -39.66295 735.13871
4730.0000 -40.63596 -39.23062 1.40534 1.99215 -39.41734 708.16685
4735.0000 -40.94307 -39.02762 1.91544 2.08141 -38.80431 824.28375
4740.0000 -41.04253 -39.03830 2.00423 2.06626 -38.90830 767.47792
4745.0000 -40.26075 -37.93281 2.32795 2.09515 -38.70992 854.51321
4750.0000 -40.70825 -38.90692 1.80133 2.07454 -38.85149 830.62216
FREEZING PROCESS: loop number 20 T-loop= 738.00000000000000
main_MD> interactions number 20 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16455 -1.98346 -1.64869
force_rgl> df(natom) -2.42240 4.87058 3.37707
4755.0000 -40.75920 -39.17651 1.58268 2.04716 -39.03955 762.19979
4760.0000 -41.50663 -39.20251 2.30413 2.02845 -39.16805 735.70648
4765.0000 -41.20031 -39.16500 2.03531 2.04184 -39.07606 805.32774
4770.0000 -41.57436 -39.67186 1.90250 2.03845 -39.09936 831.34382
4775.0000 -41.26953 -39.82747 1.44206 1.96334 -39.61521 677.90790
4780.0000 -41.67991 -39.62780 2.05211 1.99587 -39.39178 775.73339
4785.0000 -41.19372 -39.69211 1.50160 1.93045 -39.84115 640.54267
4790.0000 -41.16662 -40.02453 1.14209 1.96489 -39.60454 675.79205
4795.0000 -40.83412 -40.06489 0.76923 1.90869 -39.99060 600.38001
4800.0000 -41.03623 -39.67703 1.35920 1.98042 -39.49790 718.53340
4805.0000 -41.00128 -39.60945 1.39183 2.02943 -39.16129 759.06040
4810.0000 -40.50616 -38.43536 2.07080 2.08048 -38.81067 851.57766
4815.0000 -40.55623 -38.66449 1.89174 2.13994 -38.40229 868.97974
4820.0000 -40.42232 -38.70967 1.71265 2.14041 -38.39904 898.16070
4825.0000 -40.93731 -39.44344 1.49388 1.99691 -39.38466 718.21057
4830.0000 -40.66253 -38.58410 2.07843 2.06213 -38.93672 808.13760
4835.0000 -39.63425 -37.80434 1.82991 2.14577 -38.36222 903.61366
4840.0000 -40.25322 -37.90467 2.34854 2.20571 -37.95058 894.64859
4845.0000 -41.34230 -39.52975 1.81256 2.06596 -38.91043 808.17007
4850.0000 -40.47098 -39.05983 1.41116 1.98188 -39.48786 722.87473
4855.0000 -41.57632 -39.59967 1.97665 1.99302 -39.41134 735.51260
4860.0000 -41.83025 -40.57362 1.25663 1.89788 -40.06484 654.90699
4865.0000 -42.06095 -41.02849 1.03246 1.79771 -40.75283 508.68108
4870.0000 -41.76878 -39.79019 1.97859 1.89965 -40.05268 619.06408
4875.0000 -41.30178 -39.71504 1.58674 1.93362 -39.81933 689.49544
4880.0000 -41.55781 -40.06899 1.48882 1.97953 -39.50402 757.63224
4885.0000 -40.91414 -39.59293 1.32121 1.90896 -39.98872 615.05308
4890.0000 -41.14058 -39.29134 1.84924 1.97774 -39.51635 730.39276
4895.0000 -41.37177 -39.79567 1.57610 1.99106 -39.42486 708.49842
4900.0000 -41.26858 -39.21373 2.05485 1.97858 -39.51052 769.10645
4905.0000 -40.39946 -38.71221 1.68725 2.09853 -38.68672 837.79225
4910.0000 -40.37154 -38.29567 2.07586 2.12544 -38.50189 849.07935
4915.0000 -40.97302 -37.79541 3.17761 2.11636 -38.56424 892.52275
4920.0000 -40.51463 -38.41255 2.10208 2.14632 -38.35849 851.97645
4925.0000 -40.19666 -38.65297 1.54370 2.11899 -38.54617 826.61405
4930.0000 -41.05614 -38.81831 2.23783 2.02824 -39.16945 726.54322
4935.0000 -40.82697 -39.24470 1.58227 2.00724 -39.31371 728.55865
4940.0000 -40.83580 -39.54440 1.29140 1.98195 -39.48737 693.14513
4945.0000 -41.41033 -39.51843 1.89190 1.91411 -39.95333 621.37579
4950.0000 -41.68356 -40.10483 1.57873 1.90799 -39.99537 623.07330
4955.0000 -41.72142 -39.96968 1.75174 1.93245 -39.82737 715.39470
4960.0000 -41.60418 -40.39626 1.20792 1.87328 -40.23376 586.89784
4965.0000 -41.40472 -39.56797 1.83675 1.87869 -40.19661 593.92167
4970.0000 -41.41453 -39.65083 1.76371 2.01059 -39.29067 745.69595
4975.0000 -41.38883 -39.76147 1.62736 1.97975 -39.50253 699.08458
4980.0000 -40.98341 -39.72087 1.26254 1.97384 -39.54312 676.61026
4985.0000 -40.86389 -39.93328 0.93061 2.00206 -39.34927 758.45950
4990.0000 -40.73201 -39.44593 1.28608 1.96840 -39.58046 683.63370
4995.0000 -41.28299 -39.67286 1.61012 2.02453 -39.19498 766.03690
5000.0000 -41.52824 -39.83643 1.69181 1.88547 -40.15005 602.79755
FREEZING PROCESS: loop number 21 T-loop= 713.00000000000000
main_MD> interactions number 21 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.97454 0.89586 2.54235
force_rgl> df(natom) 2.87428 1.49157 -1.41659
5005.0000 -41.39205 -39.54646 1.84560 1.96234 -39.62207 733.14269
5010.0000 -41.15742 -39.34296 1.81446 2.00574 -39.32403 747.17709
5015.0000 -41.38585 -39.56457 1.82128 1.98073 -39.49575 719.84360
5020.0000 -40.55788 -38.46179 2.09609 2.03435 -39.12751 773.14344
5025.0000 -40.77999 -38.96910 1.81089 2.08253 -38.79662 815.68551
5030.0000 -39.67815 -38.06686 1.61129 2.14453 -38.37078 892.68298
5035.0000 -40.67377 -39.10423 1.56954 2.13339 -38.44728 891.22574
5040.0000 -41.35115 -40.18131 1.16984 1.94499 -39.74126 689.31725
5045.0000 -40.86953 -39.90380 0.96573 1.87827 -40.19949 557.27805
5050.0000 -41.32919 -39.67380 1.65538 1.98982 -39.43337 707.90043
5055.0000 -40.87753 -39.32128 1.55625 2.00989 -39.29551 768.48813
5060.0000 -40.84036 -39.43028 1.41008 1.96745 -39.58702 702.59208
5065.0000 -41.23325 -38.89147 2.34178 1.99974 -39.36524 746.75937
5070.0000 -40.97298 -38.90908 2.06390 1.98461 -39.46910 696.33808
5075.0000 -40.19070 -39.07968 1.11103 2.06077 -38.94604 816.36814
5080.0000 -41.28488 -39.90073 1.38415 1.96218 -39.62318 715.86565
5085.0000 -41.32619 -39.36978 1.95641 1.94659 -39.73027 667.40319
5090.0000 -41.47202 -39.98232 1.48970 1.95471 -39.67448 663.40647
5095.0000 -41.23126 -39.21194 2.01932 1.97404 -39.54172 692.76597
5100.0000 -40.66658 -39.05731 1.60927 1.99313 -39.41060 727.51583
5105.0000 -40.74268 -39.31732 1.42537 2.02685 -39.17900 740.22469
5110.0000 -41.10169 -39.43334 1.66836 1.96756 -39.58625 675.56113
5115.0000 -41.81414 -39.51991 2.29423 1.99122 -39.42370 720.38094
5120.0000 -40.70333 -38.87522 1.82811 2.03526 -39.12124 825.91522
5125.0000 -40.13545 -38.96081 1.17464 2.01081 -39.28920 719.78570
5130.0000 -40.40812 -38.75379 1.65434 2.07056 -38.87878 750.48878
5135.0000 -40.50806 -38.78694 1.72112 2.08919 -38.75085 882.33217
5140.0000 -40.12961 -38.93332 1.19629 2.07918 -38.81960 792.91269
5145.0000 -40.76630 -38.67980 2.08651 2.05573 -38.98063 722.75576
5150.0000 -41.34331 -39.44187 1.90144 1.99099 -39.42528 706.17265
5155.0000 -41.17527 -39.32874 1.84653 2.00471 -39.33111 753.77400
5160.0000 -41.15341 -38.94552 2.20789 2.06637 -38.90755 862.89564
5165.0000 -41.91587 -39.97866 1.93722 1.97851 -39.51101 650.45795
5170.0000 -40.91871 -39.30694 1.61177 1.96496 -39.60410 710.41315
5175.0000 -41.43469 -40.04164 1.39305 1.97020 -39.56814 677.59854
5180.0000 -41.74684 -39.67210 2.07474 1.94093 -39.76913 684.12920
5185.0000 -40.98128 -39.41459 1.56670 1.96198 -39.62459 702.69174
5190.0000 -41.25690 -39.37704 1.87985 2.00098 -39.35671 714.17154
5195.0000 -40.67915 -39.19844 1.48070 1.95805 -39.65153 680.72772
5200.0000 -41.10814 -39.47338 1.63477 2.00976 -39.29638 708.05115
5205.0000 -40.30554 -38.81847 1.48708 2.11525 -38.57184 879.71834
5210.0000 -40.69543 -39.13995 1.55548 2.05831 -38.96296 801.63383
5215.0000 -40.36765 -38.85341 1.51424 2.10742 -38.62563 812.93802
5220.0000 -40.84145 -38.63574 2.20571 2.07415 -38.85417 811.20818
5225.0000 -41.21399 -39.24383 1.97015 2.07825 -38.82602 767.72683
5230.0000 -41.15852 -39.83277 1.32574 2.01792 -39.24032 770.68780
5235.0000 -40.80625 -39.08138 1.72487 2.02320 -39.20410 738.90335
5240.0000 -41.28529 -39.70850 1.57680 2.00401 -39.33589 694.97726
5245.0000 -41.31451 -39.92941 1.38510 2.02140 -39.21648 761.29818
5250.0000 -41.65777 -39.28827 2.36950 1.92560 -39.87441 633.66210
FREEZING PROCESS: loop number 22 T-loop= 688.00000000000000
main_MD> interactions number 22 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.80055 1.19351 -1.06039
force_rgl> df(natom) 0.99608 0.44233 4.90709
5255.0000 -41.10406 -39.20028 1.90379 2.00545 -39.32597 740.19812
5260.0000 -40.79358 -39.32971 1.46387 1.97611 -39.52752 689.25288
5265.0000 -41.29345 -39.54603 1.74741 1.92006 -39.91250 610.79506
5270.0000 -40.90678 -39.57974 1.32704 1.95715 -39.65774 708.54048
5275.0000 -41.23564 -39.24811 1.98753 1.99062 -39.42783 705.50695
5280.0000 -41.14583 -39.89268 1.25314 1.92160 -39.90190 630.83252
5285.0000 -41.52075 -40.10827 1.41248 1.96149 -39.62790 684.32427
5290.0000 -41.16365 -39.19504 1.96861 1.94016 -39.77441 679.50327
5295.0000 -41.44676 -39.49956 1.94721 2.00395 -39.33632 736.31853
5300.0000 -41.09394 -39.76381 1.33014 1.96537 -39.60130 713.06589
5305.0000 -40.99458 -38.98719 2.00739 1.95715 -39.65774 660.38011
5310.0000 -41.31577 -39.41894 1.89683 2.00790 -39.30916 724.22738
5315.0000 -41.19148 -39.60188 1.58959 1.94821 -39.71911 685.30606
5320.0000 -41.07974 -39.71900 1.36074 1.95577 -39.66721 697.89303
5325.0000 -40.81722 -39.14783 1.66939 1.98112 -39.49309 662.38512
5330.0000 -40.83562 -39.23700 1.59862 2.03430 -39.12786 775.66506
5335.0000 -40.97770 -39.83304 1.14466 1.99178 -39.41985 713.05325
5340.0000 -41.56451 -40.29310 1.27142 1.90074 -40.04519 563.96277
5345.0000 -41.29228 -39.52647 1.76581 1.93485 -39.81087 641.78092
5350.0000 -41.04033 -39.58279 1.45754 1.96184 -39.62552 691.67042
5355.0000 -41.44986 -40.17690 1.27295 1.93582 -39.80423 618.35888
5360.0000 -41.09623 -39.23616 1.86007 1.96481 -39.60509 643.54996
5365.0000 -41.22161 -39.60660 1.61500 1.97252 -39.55219 702.21310
5370.0000 -41.51097 -39.90612 1.60485 1.91153 -39.97104 679.28170
5375.0000 -41.41154 -39.80368 1.60786 1.96615 -39.59592 706.26654
5380.0000 -41.46986 -40.14026 1.32960 1.91364 -39.95659 622.50772
5385.0000 -41.42978 -39.97327 1.45651 1.92267 -39.89457 636.85259
5390.0000 -40.59997 -39.19876 1.40121 1.94498 -39.74130 662.60784
5395.0000 -40.84812 -39.32492 1.52320 1.95366 -39.68167 698.44605
5400.0000 -40.78655 -39.34177 1.44478 1.95964 -39.64064 694.02781
5405.0000 -40.63112 -38.89152 1.73960 2.08331 -38.79126 836.77385
5410.0000 -41.31943 -39.92341 1.39602 2.00688 -39.31620 742.79701
5415.0000 -41.82690 -39.95916 1.86774 1.94104 -39.76838 646.94144
5420.0000 -41.47604 -39.28279 2.19325 2.02216 -39.21122 801.46379
5425.0000 -41.45776 -39.90493 1.55283 1.97954 -39.50394 673.75573
5430.0000 -41.82162 -40.29819 1.52343 1.90562 -40.01165 632.60597
5435.0000 -41.70794 -40.21669 1.49125 1.86336 -40.30188 566.22783
5440.0000 -41.07061 -39.82341 1.24720 1.93613 -39.80207 653.93659
5445.0000 -41.43883 -40.05754 1.38129 1.88294 -40.16743 586.06966
5450.0000 -41.15447 -39.55392 1.60055 1.88870 -40.12787 588.25316
5455.0000 -41.11269 -39.09347 2.01922 1.99629 -39.38892 716.51732
5460.0000 -40.88162 -38.89760 1.98402 2.08522 -38.77809 825.74731
5465.0000 -40.98082 -39.85870 1.12212 2.00144 -39.35351 767.90303
5470.0000 -40.98309 -39.41343 1.56966 1.90894 -39.98885 624.27074
5475.0000 -41.17924 -40.17222 1.00702 1.96130 -39.62924 678.84957
5480.0000 -41.02546 -39.77212 1.25334 1.91681 -39.93477 623.00871
5485.0000 -40.93186 -39.18838 1.74348 1.95797 -39.65211 690.09277
5490.0000 -40.69278 -38.73681 1.95598 2.07882 -38.82205 760.46605
5495.0000 -41.22193 -39.50122 1.72071 1.97726 -39.51961 724.07942
5500.0000 -41.22713 -39.52616 1.70097 1.98733 -39.45044 751.94488
FREEZING PROCESS: loop number 23 T-loop= 663.00000000000000
main_MD> interactions number 23 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29602 0.78058 -0.00570
force_rgl> df(natom) 1.36081 2.23291 -0.49691
5505.0000 -41.23560 -39.64330 1.59231 1.98139 -39.49123 719.09517
5510.0000 -41.86337 -40.09031 1.77306 1.94314 -39.75399 669.96046
5515.0000 -41.39721 -39.89892 1.49829 1.87214 -40.24158 589.07689
5520.0000 -41.55022 -39.83689 1.71333 1.88299 -40.16709 566.17814
5525.0000 -41.43535 -40.17231 1.26304 1.88797 -40.13291 620.63117
5530.0000 -41.58582 -40.07664 1.50918 1.91060 -39.97747 646.78537
5535.0000 -40.81032 -39.34380 1.46651 1.97179 -39.55717 661.40025
5540.0000 -41.08607 -39.31551 1.77055 2.00908 -39.30109 712.67936
5545.0000 -41.02306 -39.64712 1.37594 1.96682 -39.59133 684.27534
5550.0000 -41.06336 -39.68072 1.38264 1.93193 -39.83098 556.92050
5555.0000 -41.33602 -40.03110 1.30492 1.92594 -39.87211 654.07409
5560.0000 -41.69356 -40.17140 1.52216 1.87039 -40.25359 600.64710
5565.0000 -41.57516 -40.36020 1.21496 1.85305 -40.37274 567.92813
5570.0000 -41.15698 -39.63327 1.52370 1.94788 -39.72137 642.92225
5575.0000 -41.38784 -39.71368 1.67416 1.96813 -39.58235 701.02594
5580.0000 -41.72785 -40.30610 1.42176 1.90836 -39.99284 619.81710
5585.0000 -40.85004 -39.43114 1.41890 1.92644 -39.86865 650.85055
5590.0000 -41.53237 -40.18148 1.35090 1.96979 -39.57093 703.15613
5595.0000 -41.73712 -40.25042 1.48669 1.85598 -40.35258 556.91956
5600.0000 -41.67879 -40.33891 1.33988 1.89217 -40.10400 583.45633
5605.0000 -41.36604 -39.78280 1.58324 1.89410 -40.09080 618.75142
5610.0000 -41.36649 -39.41701 1.94947 1.93744 -39.79308 678.89593
5615.0000 -41.45748 -39.80551 1.65198 1.91726 -39.93173 621.03177
5620.0000 -41.43638 -40.23587 1.20051 1.88146 -40.17762 568.79920
5625.0000 -41.54276 -40.38231 1.16045 1.88926 -40.12406 643.87879
5630.0000 -41.61376 -40.20046 1.41330 1.88972 -40.12088 594.49902
5635.0000 -41.30517 -39.74839 1.55679 1.94242 -39.75888 663.68047
5640.0000 -41.18512 -39.74388 1.44124 1.91606 -39.93995 656.48474
5645.0000 -40.59897 -38.78603 1.81295 1.98345 -39.47711 773.31885
5650.0000 -41.39891 -39.96194 1.43697 1.91291 -39.96158 661.93750
5655.0000 -41.09006 -38.97969 2.11037 1.99848 -39.37388 767.82182
5660.0000 -41.18447 -39.29080 1.89367 1.99696 -39.38429 729.16570
5665.0000 -41.49761 -39.72244 1.77517 1.93906 -39.78201 661.76916
5670.0000 -41.59625 -40.18661 1.40964 1.91255 -39.96406 654.92819
5675.0000 -41.78842 -40.56922 1.21919 1.83952 -40.46563 525.50614
5680.0000 -41.32501 -39.59458 1.73043 1.88357 -40.16308 562.10431
5685.0000 -41.53202 -40.11507 1.41694 1.95202 -39.69296 704.98630
5690.0000 -41.00911 -39.49079 1.51832 1.94861 -39.71642 669.25144
5695.0000 -40.70067 -39.49139 1.20929 1.96380 -39.61209 673.22216
5700.0000 -40.67211 -38.93432 1.73779 2.00093 -39.35704 743.82410
5705.0000 -41.27617 -40.20109 1.07508 1.97188 -39.55656 684.09103
5710.0000 -41.52736 -39.82472 1.70264 1.92436 -39.88295 652.32313
5715.0000 -41.20562 -39.72723 1.47839 1.93215 -39.82942 675.62571
5720.0000 -41.54039 -39.79138 1.74901 2.00067 -39.35882 710.88189
5725.0000 -40.72468 -39.23279 1.49189 1.98613 -39.45872 677.40178
5730.0000 -41.68180 -40.10186 1.57994 1.99150 -39.42178 736.43173
5735.0000 -41.34757 -39.42691 1.92067 1.95024 -39.70521 628.69125
5740.0000 -41.21251 -39.61381 1.59869 1.92023 -39.91133 623.02122
5745.0000 -40.93340 -39.72429 1.20911 1.93892 -39.78297 630.99218
5750.0000 -41.56910 -39.69930 1.86980 1.92205 -39.89881 658.11636
FREEZING PROCESS: loop number 24 T-loop= 638.00000000000000
main_MD> interactions number 24 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22119 -1.29165 -1.58227
force_rgl> df(natom) -2.05633 -1.26902 1.26880
5755.0000 -41.40100 -40.21731 1.18369 1.89530 -40.08252 574.52543
5760.0000 -41.00063 -39.76798 1.23265 1.88178 -40.17538 615.01377
5765.0000 -41.81249 -40.40266 1.40983 1.92139 -39.90337 656.50172
5770.0000 -40.82261 -39.49284 1.32977 1.88476 -40.15494 601.05244
5775.0000 -41.75474 -40.02074 1.73400 1.91970 -39.91492 651.99979
5780.0000 -41.31195 -39.93964 1.37231 1.93979 -39.77699 693.63036
5785.0000 -41.33038 -39.84142 1.48896 1.89864 -40.05960 597.64831
5790.0000 -40.60831 -39.26912 1.33919 1.98080 -39.49529 719.23486
5795.0000 -41.72015 -40.07931 1.64085 1.93280 -39.82498 625.05818
5800.0000 -41.90783 -40.16144 1.74639 1.90720 -40.00083 625.53945
5805.0000 -41.55486 -40.37537 1.17948 1.84700 -40.41425 534.47815
5810.0000 -41.27430 -39.91102 1.36328 1.90251 -40.03303 632.20714
5815.0000 -41.84195 -40.05600 1.78594 1.83821 -40.47466 567.83741
5820.0000 -40.98504 -39.60180 1.38323 1.93788 -39.79009 704.84954
5825.0000 -41.59842 -39.68449 1.91393 1.96431 -39.60854 695.86502
5830.0000 -41.50741 -40.36719 1.14022 1.89325 -40.09662 623.89234
5835.0000 -42.07593 -40.76570 1.31023 1.85685 -40.34660 548.16602
5840.0000 -41.91319 -40.61662 1.29657 1.85336 -40.37058 591.11847
5845.0000 -40.90758 -39.26762 1.63996 1.88005 -40.18729 556.04286
5850.0000 -41.11141 -38.92091 2.19050 2.00685 -39.31637 734.01591
5855.0000 -41.47957 -39.84286 1.63670 1.99873 -39.37216 769.09018
5860.0000 -41.21790 -39.42301 1.79489 1.95308 -39.68568 652.38131
5865.0000 -41.29034 -39.93575 1.35459 1.96537 -39.60128 655.90831
5870.0000 -41.92617 -40.39285 1.53332 1.90161 -40.03920 644.44584
5875.0000 -41.41459 -40.13062 1.28397 1.85807 -40.33827 568.34682
5880.0000 -41.44968 -39.73091 1.71877 1.90805 -39.99497 629.82032
5885.0000 -41.45679 -40.00499 1.45181 1.95269 -39.68838 694.70120
5890.0000 -41.50352 -40.02908 1.47444 1.89161 -40.10791 644.27753
5895.0000 -41.69254 -40.35566 1.33688 1.90988 -39.98239 600.49220
5900.0000 -41.29803 -40.19939 1.09864 1.82255 -40.58219 514.03532
5905.0000 -41.51367 -40.07091 1.44276 1.89072 -40.11398 607.29804
5910.0000 -40.87446 -39.73116 1.14330 1.96342 -39.61469 701.88408
5915.0000 -41.44374 -39.62275 1.82099 1.96248 -39.62112 646.79303
5920.0000 -40.94233 -39.42802 1.51431 1.96329 -39.61557 673.87067
5925.0000 -40.97125 -39.73718 1.23407 1.97397 -39.54224 701.32087
5930.0000 -41.55243 -39.78687 1.76556 1.91677 -39.93510 647.41658
5935.0000 -41.28872 -39.89834 1.39038 1.92617 -39.87048 635.55064
5940.0000 -41.21753 -39.50177 1.71576 1.94424 -39.74643 629.80492
5945.0000 -41.09026 -39.57722 1.51304 1.97744 -39.51836 712.44653
5950.0000 -40.61205 -38.29177 2.32028 2.04086 -39.08278 773.34093
5955.0000 -41.43169 -39.44624 1.98545 2.06634 -38.90782 753.41287
5960.0000 -41.63337 -40.03077 1.60260 1.96289 -39.61834 646.74967
5965.0000 -41.85437 -40.64444 1.20993 1.82781 -40.54606 538.14709
5970.0000 -42.04051 -40.46362 1.57690 1.84896 -40.40085 576.84423
5975.0000 -41.69959 -40.32702 1.37257 1.81095 -40.66187 510.52612
5980.0000 -41.40978 -39.27235 2.13744 1.92030 -39.91083 653.51192
5985.0000 -41.52990 -40.07001 1.45989 1.94774 -39.72239 689.89577
5990.0000 -41.56473 -40.15062 1.41411 1.90344 -40.02665 594.21649
5995.0000 -41.64558 -39.64147 2.00411 1.93250 -39.82704 642.49582
6000.0000 -40.83935 -39.33578 1.50357 2.00517 -39.32792 720.52499
FREEZING PROCESS: loop number 25 T-loop= 613.00000000000000
main_MD> interactions number 25 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.52994 -0.02068 0.02407
force_rgl> df(natom) 3.94383 -0.67709 2.24326
6005.0000 -40.85930 -39.03620 1.82310 1.93349 -39.82026 689.96608
6010.0000 -41.10613 -39.95312 1.15301 1.98334 -39.47785 687.01497
6015.0000 -41.14192 -39.72448 1.41744 1.97199 -39.55583 737.37397
6020.0000 -41.56644 -40.18151 1.38493 1.88435 -40.15771 611.70503
6025.0000 -41.17037 -40.18346 0.98691 1.89932 -40.05496 617.98189
6030.0000 -41.51596 -40.05436 1.46159 1.89704 -40.07057 608.82256
6035.0000 -41.61946 -39.93909 1.68036 1.91506 -39.94681 600.11171
6040.0000 -41.30632 -39.36677 1.93954 1.97447 -39.53875 697.56516
6045.0000 -41.44029 -39.75408 1.68621 1.94113 -39.76777 633.10011
6050.0000 -41.48935 -39.96505 1.52431 1.92158 -39.90204 673.84758
6055.0000 -40.47519 -39.58130 0.89388 1.93594 -39.80341 602.29601
6060.0000 -41.52824 -40.43298 1.09525 1.92491 -39.87919 623.83174
6065.0000 -41.86357 -40.71951 1.14406 1.86213 -40.31034 547.63682
6070.0000 -41.62906 -40.26801 1.36104 1.86082 -40.31938 598.23291
6075.0000 -41.63308 -40.17010 1.46298 1.89833 -40.06171 646.26617
6080.0000 -40.95882 -39.73513 1.22369 1.92775 -39.85963 651.42807
6085.0000 -41.70152 -40.17513 1.52639 1.90441 -40.01999 602.96159
6090.0000 -42.05357 -40.21383 1.83974 1.87591 -40.21571 614.38615
6095.0000 -41.98374 -40.58829 1.39545 1.83983 -40.46350 554.05471
6100.0000 -41.59360 -40.46078 1.13281 1.81422 -40.63944 520.70111
6105.0000 -41.40409 -40.34616 1.05793 1.84204 -40.44832 518.54094
6110.0000 -41.29635 -40.25615 1.04020 1.86718 -40.27566 560.43798
6115.0000 -41.96576 -40.69502 1.27074 1.83396 -40.50386 508.57927
6120.0000 -41.60357 -40.42747 1.17610 1.83693 -40.48343 525.56971
6125.0000 -41.79707 -40.64327 1.15380 1.86263 -40.30693 575.54540
6130.0000 -41.60128 -40.58249 1.01878 1.79529 -40.76941 477.58873
6135.0000 -41.96389 -40.47640 1.48749 1.82878 -40.53943 543.39355
6140.0000 -41.63157 -40.40403 1.22754 1.86760 -40.27278 592.61395
6145.0000 -41.48626 -40.32932 1.15694 1.84770 -40.40949 545.11934
6150.0000 -41.13416 -39.65326 1.48090 1.90569 -40.01117 626.89681
6155.0000 -41.07138 -39.52484 1.54654 1.95338 -39.68363 640.50146
6160.0000 -41.49789 -39.60434 1.89355 1.98807 -39.44540 713.25709
6165.0000 -41.65395 -39.85433 1.79962 1.95839 -39.64925 696.40675
6170.0000 -41.63827 -40.27028 1.36800 1.85671 -40.34761 553.49177
6175.0000 -41.26568 -39.62575 1.63992 1.92436 -39.88294 609.20532
6180.0000 -41.06064 -39.99999 1.06065 1.88333 -40.16477 554.64737
6185.0000 -41.06522 -39.54864 1.51659 1.91490 -39.94792 649.28749
6190.0000 -41.37866 -39.95628 1.42238 1.94705 -39.72711 699.47177
6195.0000 -41.60558 -40.05122 1.55436 1.89525 -40.08290 617.89425
6200.0000 -41.68710 -40.20254 1.48456 1.90827 -39.99344 624.19792
6205.0000 -41.04911 -39.70789 1.34122 1.90636 -40.00660 629.43409
6210.0000 -41.52701 -40.15050 1.37651 1.88647 -40.14315 625.66461
6215.0000 -41.87855 -40.13738 1.74117 1.90387 -40.02370 611.73628
6220.0000 -41.48837 -40.15356 1.33482 1.87069 -40.25156 595.82050
6225.0000 -41.53178 -39.76227 1.76951 1.89140 -40.10930 599.39899
6230.0000 -41.29229 -39.84581 1.44648 1.93122 -39.83585 668.12130
6235.0000 -41.68084 -39.94740 1.73344 1.97814 -39.51360 707.39801
6240.0000 -41.50545 -40.05893 1.44652 1.87915 -40.19343 609.93219
6245.0000 -41.66431 -39.77333 1.89098 1.96213 -39.62354 677.12921
6250.0000 -41.46062 -40.17867 1.28195 1.88133 -40.17849 625.55736
FREEZING PROCESS: loop number 26 T-loop= 588.00000000000000
main_MD> interactions number 26 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.04593 1.49284 -0.10310
force_rgl> df(natom) -2.58993 1.09957 -1.12616
6255.0000 -41.72180 -40.15979 1.56202 1.91390 -39.95481 670.14633
6260.0000 -41.51252 -39.90362 1.60890 1.92063 -39.90854 622.46319
6265.0000 -41.55238 -39.93016 1.62223 1.92860 -39.85380 630.65222
6270.0000 -41.34726 -40.04444 1.30282 1.93555 -39.80612 659.24515
6275.0000 -41.58552 -40.64390 0.94162 1.84946 -40.39740 510.97337
6280.0000 -41.18871 -40.08359 1.10512 1.87681 -40.20951 572.90083
6285.0000 -41.32176 -40.12275 1.19901 1.87184 -40.24370 582.03141
6290.0000 -41.62481 -40.22257 1.40224 1.91464 -39.94972 609.60386
6295.0000 -41.77231 -40.52975 1.24256 1.84509 -40.42740 537.48725
6300.0000 -41.64159 -40.43716 1.20443 1.82292 -40.57970 505.34453
6305.0000 -41.86393 -40.32938 1.53454 1.85569 -40.35460 544.07678
6310.0000 -41.27339 -39.75315 1.52025 1.91273 -39.96281 609.13300
6315.0000 -41.61681 -40.25379 1.36301 1.91674 -39.93531 671.50974
6320.0000 -41.85595 -40.76681 1.08914 1.81138 -40.65893 475.05500
6325.0000 -41.81482 -40.16207 1.65274 1.86513 -40.28977 568.42090
6330.0000 -41.41690 -40.06173 1.35516 1.89082 -40.11334 624.71099
6335.0000 -41.21135 -39.63152 1.57983 1.92268 -39.89448 615.73404
6340.0000 -41.31232 -39.34265 1.96966 1.95207 -39.69262 718.33370
6345.0000 -41.09993 -39.30552 1.79441 2.00598 -39.32233 761.56394
6350.0000 -41.01837 -39.60034 1.41803 1.97434 -39.53969 642.05116
6355.0000 -41.39155 -39.69504 1.69651 1.89843 -40.06103 625.36841
6360.0000 -41.62509 -40.49003 1.13506 1.87269 -40.23785 594.98715
6365.0000 -41.57582 -40.39707 1.17875 1.83783 -40.47729 568.34917
6370.0000 -41.49988 -40.26053 1.23934 1.88651 -40.14289 592.97168
6375.0000 -41.60488 -39.40119 2.20369 1.92320 -39.89093 621.46454
6380.0000 -41.44304 -40.03742 1.40562 1.91763 -39.92920 597.00931
6385.0000 -41.60403 -39.95992 1.64410 1.89718 -40.06961 579.90014
6390.0000 -41.31714 -39.94264 1.37450 1.92693 -39.86528 647.85360
6395.0000 -42.15695 -40.57515 1.58180 1.86644 -40.28077 592.88004
6400.0000 -41.24945 -40.50258 0.74687 1.81090 -40.66221 489.26922
6405.0000 -41.79346 -40.52174 1.27172 1.84798 -40.40755 571.27084
6410.0000 -41.30658 -39.98958 1.31700 1.81432 -40.63874 495.11959
6415.0000 -40.40242 -38.73894 1.66348 2.01223 -39.27942 714.24133
6420.0000 -41.18977 -39.65902 1.53075 2.01017 -39.29360 744.12246
6425.0000 -41.60192 -40.22480 1.37713 1.90682 -40.00343 580.98619
6430.0000 -41.71971 -40.09837 1.62133 1.94219 -39.76050 635.40063
6435.0000 -41.70312 -40.21356 1.48956 1.88629 -40.14445 594.61578
6440.0000 -41.49738 -40.02294 1.47444 1.91043 -39.97861 647.42836
6445.0000 -40.78591 -39.47494 1.31097 1.91327 -39.95912 636.66463
6450.0000 -41.49827 -39.96958 1.52869 1.92943 -39.84809 630.76505
6455.0000 -41.60990 -40.35030 1.25960 1.90150 -40.03993 599.02891
6460.0000 -41.44606 -40.05751 1.38855 1.86560 -40.28651 601.26084
6465.0000 -41.92862 -40.32791 1.60071 1.88663 -40.14207 624.56615
6470.0000 -41.38326 -39.40914 1.97412 1.94017 -39.77434 656.48124
6475.0000 -41.19913 -39.27092 1.92821 1.97300 -39.54891 677.59511
6480.0000 -41.39647 -39.93530 1.46117 1.97700 -39.52142 651.70354
6485.0000 -41.30366 -40.12975 1.17390 1.96757 -39.58617 726.95966
6490.0000 -41.56696 -40.32402 1.24294 1.90501 -40.01588 657.05499
6495.0000 -41.62578 -40.09816 1.52762 1.85922 -40.33034 564.12940
6500.0000 -41.77817 -40.30475 1.47342 1.88841 -40.12985 588.73745
FREEZING PROCESS: loop number 27 T-loop= 563.00000000000000
main_MD> interactions number 27 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59275 0.97642 1.10697
force_rgl> df(natom) 0.18240 -1.33746 4.05338
6505.0000 -41.20370 -40.21450 0.98920 1.86662 -40.27951 553.37097
6510.0000 -41.95329 -40.49163 1.46166 1.84246 -40.44546 547.32421
6515.0000 -41.84457 -40.37078 1.47379 1.85570 -40.35455 564.03691
6520.0000 -41.54912 -40.29213 1.25699 1.86583 -40.28495 568.64338
6525.0000 -41.44667 -40.46109 0.98558 1.86122 -40.31661 563.34796
6530.0000 -41.74026 -40.40085 1.33941 1.86766 -40.27237 590.77494
6535.0000 -41.41317 -40.30976 1.10341 1.84563 -40.42370 532.31176
6540.0000 -42.04430 -40.40822 1.63607 1.83165 -40.51973 497.79147
6545.0000 -41.47049 -40.04532 1.42517 1.88321 -40.16561 609.84070
6550.0000 -41.03335 -39.43160 1.60174 1.95082 -39.70120 646.31067
6555.0000 -41.55248 -40.12695 1.42554 1.93875 -39.78413 666.41010
6560.0000 -41.03690 -39.63203 1.40487 1.92621 -39.87022 639.96126
6565.0000 -41.93664 -40.24637 1.69027 1.92356 -39.88845 640.29482
6570.0000 -41.84178 -40.14660 1.69517 1.91786 -39.92761 640.73990
6575.0000 -41.61091 -40.00492 1.60599 1.85981 -40.32629 569.29300
6580.0000 -41.46513 -39.92383 1.54130 1.89723 -40.06930 619.75417
6585.0000 -41.44377 -40.07605 1.36772 1.89756 -40.06700 617.61669
6590.0000 -41.43023 -39.68171 1.74852 1.94873 -39.71556 714.91481
6595.0000 -41.20125 -39.59907 1.60218 1.93817 -39.78811 664.20993
6600.0000 -41.42808 -40.23878 1.18930 1.88646 -40.14326 592.28906
6605.0000 -41.48218 -39.87266 1.60952 1.91961 -39.91555 651.34327
6610.0000 -41.25034 -40.07205 1.17830 1.90759 -39.99812 607.13076
6615.0000 -41.55043 -40.45820 1.09223 1.86406 -40.29710 592.16682
6620.0000 -42.12388 -40.62348 1.50040 1.80948 -40.67198 524.80440
6625.0000 -41.45417 -40.12122 1.33295 1.87470 -40.22401 563.47034
6630.0000 -41.09513 -39.90412 1.19101 1.87233 -40.24028 587.95984
6635.0000 -41.46738 -40.28003 1.18735 1.89255 -40.10145 610.07140
6640.0000 -41.38431 -40.55585 0.82846 1.86401 -40.29745 559.11725
6645.0000 -41.52912 -40.16837 1.36076 1.84486 -40.42895 569.31544
6650.0000 -40.81091 -39.66503 1.14588 1.93239 -39.82776 660.88384
6655.0000 -41.51314 -39.61997 1.89317 1.95081 -39.70130 599.63181
6660.0000 -41.80042 -40.44599 1.35444 1.91574 -39.94212 670.37022
6665.0000 -41.74521 -40.29728 1.44792 1.84762 -40.41002 560.38848
6670.0000 -41.83057 -40.22199 1.60858 1.89023 -40.11737 622.86474
6675.0000 -41.82525 -40.75586 1.06939 1.84131 -40.45334 517.39157
6680.0000 -41.83337 -40.27574 1.55763 1.85006 -40.39324 558.06988
6685.0000 -41.58706 -39.83113 1.75593 1.86312 -40.30353 591.30035
6690.0000 -41.19869 -39.58414 1.61455 1.93087 -39.83826 615.41837
6695.0000 -41.43580 -40.00247 1.43334 1.92617 -39.87054 637.08464
6700.0000 -41.75208 -40.81986 0.93222 1.86128 -40.31617 582.28253
6705.0000 -41.86415 -40.31837 1.54579 1.83571 -40.49181 531.42917
6710.0000 -42.03439 -40.72524 1.30915 1.83781 -40.47742 550.51311
6715.0000 -41.45239 -40.74224 0.71015 1.83288 -40.51129 565.53078
6720.0000 -41.83736 -40.65302 1.18434 1.80302 -40.71636 495.62740
6725.0000 -41.82210 -40.35233 1.46976 1.82977 -40.53260 570.47990
6730.0000 -41.81990 -40.59737 1.22252 1.80728 -40.68708 520.51368
6735.0000 -41.02587 -39.86047 1.16540 1.90109 -40.04279 633.65767
6740.0000 -41.71194 -40.76139 0.95055 1.85717 -40.34445 545.04382
6745.0000 -41.61252 -40.44351 1.16901 1.82802 -40.54465 521.99901
6750.0000 -41.76522 -40.35672 1.40851 1.83362 -40.50615 566.95807
FREEZING PROCESS: loop number 28 T-loop= 538.00000000000000
main_MD> interactions number 28 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.06637 -0.66764 -0.98729
force_rgl> df(natom) 0.90793 1.57016 -0.07002
6755.0000 -41.77079 -40.57152 1.19927 1.85411 -40.36545 582.13198
6760.0000 -42.09076 -40.66967 1.42109 1.81883 -40.60772 525.02009
6765.0000 -41.88141 -40.34222 1.53919 1.81545 -40.63100 491.18814
6770.0000 -41.33232 -40.38520 0.94711 1.86088 -40.31892 526.21736
6775.0000 -42.04813 -40.52389 1.52424 1.86629 -40.28177 599.73422
6780.0000 -41.81087 -40.43517 1.37570 1.81342 -40.64489 503.94796
6785.0000 -41.27583 -40.00416 1.27167 1.86846 -40.26688 562.57647
6790.0000 -41.73421 -40.31956 1.41465 1.85744 -40.34260 542.11128
6795.0000 -41.61565 -40.38183 1.23382 1.85079 -40.38827 534.72260
6800.0000 -41.58884 -39.60612 1.98272 1.89729 -40.06885 610.00457
6805.0000 -41.65279 -40.49980 1.15299 1.86732 -40.27469 575.45903
6810.0000 -41.62882 -40.55462 1.07419 1.82011 -40.59898 529.79672
6815.0000 -41.90234 -40.67751 1.22482 1.82704 -40.55138 528.73242
6820.0000 -41.44578 -40.23546 1.21032 1.84485 -40.42902 545.25100
6825.0000 -41.56363 -40.69428 0.86935 1.83174 -40.51910 522.46060
6830.0000 -41.74665 -40.79179 0.95486 1.80895 -40.67561 502.28816
6835.0000 -42.16441 -41.37064 0.79376 1.75540 -41.04340 440.73508
6840.0000 -41.90971 -40.47559 1.43413 1.76230 -40.99600 449.14428
6845.0000 -41.77656 -40.56303 1.21353 1.84236 -40.44616 554.21231
6850.0000 -41.32754 -39.89418 1.43336 1.86513 -40.28974 579.52744
6855.0000 -42.05569 -40.55739 1.49830 1.89755 -40.06711 641.64988
6860.0000 -41.87151 -40.65727 1.21424 1.84437 -40.43232 569.58534
6865.0000 -42.06368 -41.16916 0.89452 1.78536 -40.83763 491.89348
6870.0000 -41.44582 -40.11040 1.33542 1.82154 -40.58916 494.37694
6875.0000 -40.95831 -39.37836 1.57994 1.92832 -39.85577 623.82625
6880.0000 -41.55008 -40.69901 0.85107 1.81961 -40.60237 526.64882
6885.0000 -41.50586 -40.21395 1.29191 1.85476 -40.36095 578.04643
6890.0000 -41.79986 -40.54901 1.25085 1.86309 -40.30377 543.04710
6895.0000 -41.47613 -39.78485 1.69128 1.90435 -40.02041 617.19332
6900.0000 -40.61062 -39.18607 1.42454 2.00940 -39.29887 750.53244
6905.0000 -41.77999 -40.13912 1.64088 1.96140 -39.62855 701.14988
6910.0000 -41.97316 -40.70546 1.26770 1.85970 -40.32707 576.71598
6915.0000 -41.48796 -39.85054 1.63742 1.86482 -40.29186 575.72243
6920.0000 -41.73924 -40.31373 1.42551 1.90521 -40.01451 613.88924
6925.0000 -41.75498 -40.63090 1.12408 1.84718 -40.41301 547.77326
6930.0000 -41.68064 -40.48021 1.20043 1.85085 -40.38781 534.16902
6935.0000 -41.90257 -40.26748 1.63509 1.87497 -40.22214 623.95184
6940.0000 -41.32736 -39.62442 1.70294 1.89279 -40.09975 593.51257
6945.0000 -41.64918 -40.28170 1.36748 1.92833 -39.85567 652.99059
6950.0000 -41.09310 -39.95132 1.14178 1.87054 -40.25262 543.88194
6955.0000 -41.44549 -40.25274 1.19275 1.90751 -39.99865 634.47972
6960.0000 -41.49917 -39.77284 1.72633 1.88557 -40.14937 569.85854
6965.0000 -41.73869 -40.55911 1.17957 1.88133 -40.17850 583.86464
6970.0000 -41.74845 -40.29840 1.45005 1.85406 -40.36577 543.99333
6975.0000 -41.57265 -40.21915 1.35350 1.87107 -40.24898 566.74491
6980.0000 -41.71790 -40.41965 1.29825 1.82396 -40.57255 519.05404
6985.0000 -41.32014 -39.70763 1.61251 1.87807 -40.20085 584.07683
6990.0000 -41.14844 -39.80135 1.34709 1.94214 -39.76081 666.76279
6995.0000 -41.41633 -39.89164 1.52469 1.94669 -39.72958 638.92073
7000.0000 -42.04008 -40.59559 1.44449 1.89228 -40.10329 621.03336
FREEZING PROCESS: loop number 29 T-loop= 513.00000000000000
main_MD> interactions number 29 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17453 0.01958 -1.62195
force_rgl> df(natom) -0.11622 0.50751 2.48639
7005.0000 -41.85019 -40.60416 1.24603 1.82316 -40.57805 482.91068
7010.0000 -41.79047 -40.84843 0.94204 1.83008 -40.53051 519.09726
7015.0000 -42.11872 -40.76892 1.34980 1.78888 -40.81343 482.02143
7020.0000 -41.82805 -41.10277 0.72527 1.78519 -40.83878 477.06179
7025.0000 -41.94857 -40.92845 1.02012 1.75438 -41.05044 421.64004
7030.0000 -42.08476 -41.25873 0.82603 1.76616 -40.96950 431.13596
7035.0000 -42.17510 -41.14947 1.02563 1.71952 -41.28985 398.95462
7040.0000 -42.11842 -41.17757 0.94084 1.74491 -41.11548 444.21993
7045.0000 -42.12240 -40.81989 1.30251 1.74878 -41.08887 429.21056
7050.0000 -42.07159 -41.10242 0.96918 1.77674 -40.89686 490.76667
7055.0000 -41.87660 -40.37266 1.50394 1.80732 -40.68680 524.21927
7060.0000 -41.38904 -39.99711 1.39194 1.90779 -39.99673 624.16179
7065.0000 -42.05065 -40.60870 1.44195 1.87679 -40.20964 551.09955
7070.0000 -41.71981 -40.61514 1.10467 1.78386 -40.84791 494.91463
7075.0000 -42.07997 -40.58637 1.49360 1.80698 -40.68916 526.39691
7080.0000 -41.61969 -40.61947 1.00022 1.78967 -40.80801 517.19123
7085.0000 -41.82728 -40.79707 1.03020 1.81009 -40.66778 515.19460
7090.0000 -41.96727 -40.48554 1.48173 1.81770 -40.61554 519.55680
7095.0000 -41.79101 -40.22250 1.56851 1.86473 -40.29253 605.78677
7100.0000 -41.31446 -40.18978 1.12468 1.84635 -40.41875 519.15019
7105.0000 -41.60809 -40.35786 1.25023 1.88240 -40.17111 600.94566
7110.0000 -42.01582 -40.41693 1.59889 1.82587 -40.55943 523.66057
7115.0000 -41.77527 -40.37167 1.40360 1.78607 -40.83273 498.88791
7120.0000 -41.94245 -40.52547 1.41698 1.81989 -40.60044 511.42883
7125.0000 -42.03669 -41.07848 0.95821 1.78872 -40.81459 486.20789
7130.0000 -42.02696 -40.85070 1.17626 1.76955 -40.94622 444.51472
7135.0000 -41.90917 -40.63738 1.27180 1.80488 -40.70357 496.20599
7140.0000 -42.05998 -41.01857 1.04141 1.78007 -40.87394 486.50782
7145.0000 -41.73990 -40.00668 1.73321 1.87531 -40.21982 549.08812
7150.0000 -41.42164 -40.51115 0.91049 1.86852 -40.26645 543.70036
7155.0000 -41.46076 -40.45266 1.00810 1.82855 -40.54097 469.11735
7160.0000 -41.99628 -40.67867 1.31761 1.82270 -40.58117 511.91548
7165.0000 -42.17381 -41.05522 1.11859 1.79508 -40.77088 486.26618
7170.0000 -41.52217 -40.29274 1.22943 1.81142 -40.65865 493.30133
7175.0000 -40.97888 -39.74842 1.23045 1.91249 -39.96446 629.12335
7180.0000 -41.92869 -40.57405 1.35465 1.86611 -40.28303 553.08046
7185.0000 -41.65803 -40.17406 1.48398 1.81970 -40.60177 504.59784
7190.0000 -41.30409 -40.27237 1.03171 1.87690 -40.20894 584.88043
7195.0000 -41.70743 -40.49476 1.21267 1.82801 -40.54471 509.07865
7200.0000 -41.69249 -40.43372 1.25876 1.85563 -40.35503 541.01917
7205.0000 -42.17135 -41.10414 1.06721 1.79063 -40.80144 488.93307
7210.0000 -42.33542 -41.48098 0.85444 1.73874 -41.15781 415.16811
7215.0000 -41.77594 -40.71988 1.05607 1.74704 -41.10085 459.97150
7220.0000 -41.99233 -40.85465 1.13769 1.79009 -40.80517 507.46754
7225.0000 -41.85755 -40.43061 1.42694 1.82031 -40.59761 533.62388
7230.0000 -41.82859 -40.44437 1.38421 1.82213 -40.58508 534.65160
7235.0000 -41.51167 -39.90167 1.61000 1.83556 -40.49284 534.09411
7240.0000 -41.74756 -40.30085 1.44672 1.88908 -40.12525 605.16542
7245.0000 -42.25161 -41.22439 1.02722 1.78569 -40.83539 486.84563
7250.0000 -42.10578 -40.84029 1.26550 1.78169 -40.86286 492.34083
FREEZING PROCESS: loop number 30 T-loop= 488.00000000000000
main_MD> interactions number 30 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39790 -2.52993 -0.54505
force_rgl> df(natom) -3.32791 1.21122 0.08076
7255.0000 -41.90187 -40.86295 1.03891 1.77039 -40.94043 452.39714
7260.0000 -41.98522 -40.69797 1.28725 1.78100 -40.86756 453.41982
7265.0000 -41.65525 -40.82371 0.83154 1.80549 -40.69941 484.29012
7270.0000 -42.06188 -40.89329 1.16860 1.79609 -40.76393 489.64850
7275.0000 -42.01573 -41.07776 0.93796 1.76076 -41.00657 449.76425
7280.0000 -42.43676 -41.28553 1.15123 1.74713 -41.10023 450.04520
7285.0000 -41.82846 -40.97048 0.85798 1.72546 -41.24905 419.90394
7290.0000 -41.90486 -41.01001 0.89485 1.76097 -41.00515 461.18996
7295.0000 -41.87728 -40.59949 1.27779 1.77909 -40.88069 460.09974
7300.0000 -41.42882 -40.37709 1.05172 1.79795 -40.75114 464.70618
7305.0000 -42.08726 -41.05945 1.02781 1.79286 -40.78613 447.15286
7310.0000 -42.08002 -40.88025 1.19977 1.77722 -40.89353 476.71664
7315.0000 -42.30800 -41.13764 1.17036 1.80172 -40.72527 500.50498
7320.0000 -41.94740 -41.17750 0.76990 1.72173 -41.27470 376.36211
7325.0000 -42.01863 -40.94746 1.07116 1.72120 -41.27829 395.02878
7330.0000 -42.02688 -40.99960 1.02728 1.76674 -40.96555 447.82734
7335.0000 -42.03267 -41.37518 0.65750 1.73364 -41.19287 393.25937
7340.0000 -41.68180 -40.57418 1.10762 1.74313 -41.12771 421.52167
7345.0000 -41.73484 -40.53814 1.19670 1.83360 -40.50632 542.90712
7350.0000 -41.75449 -40.46359 1.29090 1.81632 -40.62499 550.62118
7355.0000 -42.28498 -40.97353 1.31145 1.81122 -40.65999 504.48171
7360.0000 -41.95137 -40.91093 1.04044 1.76973 -40.94502 468.99383
7365.0000 -41.74848 -40.57079 1.17768 1.80188 -40.72418 501.51233
7370.0000 -41.92746 -40.61263 1.31483 1.84319 -40.44045 538.90272
7375.0000 -42.05843 -40.91405 1.14438 1.76259 -40.99401 451.77742
7380.0000 -42.03206 -40.94450 1.08756 1.75843 -41.02261 452.99328
7385.0000 -42.05148 -40.47825 1.57322 1.77683 -40.89622 478.47315
7390.0000 -42.25320 -41.08507 1.16812 1.78288 -40.85467 475.68415
7395.0000 -42.31045 -41.29724 1.01322 1.72026 -41.28477 414.97945
7400.0000 -42.15205 -40.94632 1.20573 1.72714 -41.23748 427.59316
7405.0000 -42.15566 -41.11638 1.03928 1.73993 -41.14965 424.03853
7410.0000 -41.80759 -40.72637 1.08123 1.74588 -41.10877 442.41846
7415.0000 -41.98220 -41.06354 0.91866 1.77284 -40.92363 464.64537
7420.0000 -41.89113 -40.87909 1.01204 1.76733 -40.96149 453.80809
7425.0000 -42.09878 -40.89891 1.19987 1.78368 -40.84918 457.28596
7430.0000 -42.09141 -40.74518 1.34623 1.78996 -40.80602 486.16032
7435.0000 -41.84537 -40.57181 1.27356 1.77628 -40.90000 465.06985
7440.0000 -41.68251 -40.55011 1.13240 1.80017 -40.73589 491.75723
7445.0000 -41.83312 -40.83423 0.99890 1.77848 -40.88486 436.43666
7450.0000 -42.30382 -41.26239 1.04143 1.75203 -41.06657 426.75724
7455.0000 -42.10888 -41.13384 0.97504 1.71992 -41.28706 382.11240
7460.0000 -41.92957 -40.46542 1.46415 1.81146 -40.65841 494.99705
7465.0000 -41.42654 -40.26626 1.16028 1.84502 -40.42790 542.83748
7470.0000 -41.80018 -40.61757 1.18261 1.85689 -40.34636 567.03912
7475.0000 -41.99622 -41.09377 0.90245 1.77425 -40.91397 456.83246
7480.0000 -41.81668 -40.63821 1.17847 1.78819 -40.81817 481.27215
7485.0000 -42.03539 -40.92022 1.11518 1.80776 -40.68380 480.02947
7490.0000 -41.91412 -40.72618 1.18794 1.78889 -40.81337 493.38000
7495.0000 -41.33439 -40.08126 1.25313 1.89331 -40.09621 640.30059
7500.0000 -41.75664 -40.81256 0.94408 1.83780 -40.47744 547.81890
FREEZING PROCESS: loop number 31 T-loop= 463.00000000000000
main_MD> interactions number 31 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.13085 1.02057 0.41417
force_rgl> df(natom) -2.39014 0.87042 -1.55007
7505.0000 -42.26398 -41.32202 0.94195 1.73658 -41.17268 417.32640
7510.0000 -42.03131 -41.11029 0.92102 1.70204 -41.40992 381.73959
7515.0000 -42.54544 -41.65817 0.88727 1.69007 -41.49209 362.47629
7520.0000 -42.43293 -41.45240 0.98053 1.70105 -41.41667 387.19542
7525.0000 -42.10487 -40.97733 1.12754 1.76412 -40.98353 464.58022
7530.0000 -42.00128 -41.28485 0.71643 1.73635 -41.17428 406.69072
7535.0000 -42.02323 -41.23058 0.79265 1.75316 -41.05876 438.07529
7540.0000 -42.23745 -41.41344 0.82400 1.71303 -41.33441 377.38765
7545.0000 -41.73237 -40.81595 0.91642 1.73216 -41.20301 390.65206
7550.0000 -42.04326 -40.95507 1.08818 1.79063 -40.80141 471.06942
7555.0000 -41.82414 -40.92086 0.90328 1.75668 -41.03465 447.59005
7560.0000 -42.06811 -41.00660 1.06151 1.77309 -40.92189 479.69735
7565.0000 -42.06758 -41.24340 0.82418 1.75272 -41.06181 436.88458
7570.0000 -42.03381 -40.95108 1.08273 1.73114 -41.21001 417.77539
7575.0000 -42.06697 -40.94110 1.12586 1.76127 -41.00307 451.73194
7580.0000 -41.88908 -40.98147 0.90761 1.76519 -40.97615 439.59600
7585.0000 -42.07226 -41.04702 1.02524 1.75785 -41.02657 439.71607
7590.0000 -42.14947 -40.92874 1.22073 1.76379 -40.98576 461.32207
7595.0000 -41.70596 -40.76343 0.94253 1.79286 -40.78613 452.59098
7600.0000 -41.75798 -40.52739 1.23059 1.83908 -40.46867 520.36393
7605.0000 -42.14495 -40.85174 1.29322 1.81791 -40.61407 522.15467
7610.0000 -42.21030 -40.99972 1.21059 1.76207 -40.99757 455.90274
7615.0000 -42.16571 -41.25129 0.91442 1.73470 -41.18561 424.46372
7620.0000 -41.82601 -40.80025 1.02576 1.75054 -41.07678 420.47737
7625.0000 -42.21416 -40.99958 1.21458 1.75514 -41.04518 448.76795
7630.0000 -42.29091 -41.24889 1.04202 1.76588 -40.97142 466.11337
7635.0000 -41.71649 -40.44479 1.27169 1.76823 -40.95528 462.15636
7640.0000 -41.96218 -40.52731 1.43487 1.80287 -40.71735 493.71613
7645.0000 -41.80627 -40.55086 1.25541 1.79078 -40.80043 490.89767
7650.0000 -41.89113 -41.08518 0.80594 1.81243 -40.65172 509.76404
7655.0000 -42.28640 -41.34986 0.93654 1.73151 -41.20749 401.85801
7660.0000 -42.02426 -40.69921 1.32506 1.76496 -40.97777 443.69716
7665.0000 -41.98244 -40.94441 1.03803 1.78443 -40.84401 498.54453
7670.0000 -41.90142 -41.00102 0.90040 1.79425 -40.77658 481.18150
7675.0000 -41.87758 -40.55567 1.32191 1.77671 -40.89705 444.96794
7680.0000 -42.15696 -41.04786 1.10910 1.83915 -40.46816 566.40840
7685.0000 -41.73218 -40.59155 1.14063 1.80249 -40.72001 496.28466
7690.0000 -41.77273 -40.52876 1.24397 1.79442 -40.77544 502.43029
7695.0000 -41.72357 -40.70076 1.02282 1.78794 -40.81995 449.92930
7700.0000 -41.79185 -40.85008 0.94177 1.79575 -40.76630 481.81503
7705.0000 -42.16213 -40.97701 1.18512 1.78041 -40.87165 475.18535
7710.0000 -42.15308 -41.02301 1.13007 1.75910 -41.01801 440.20502
7715.0000 -42.13325 -40.96485 1.16840 1.79273 -40.78702 477.89158
7720.0000 -41.98135 -40.94364 1.03771 1.79587 -40.76548 469.95519
7725.0000 -41.37014 -40.11825 1.25189 1.81997 -40.59990 481.53678
7730.0000 -41.39172 -40.52673 0.86499 1.86627 -40.28191 565.94941
7735.0000 -41.96981 -40.53505 1.43476 1.81861 -40.60925 546.78814
7740.0000 -41.62608 -40.16265 1.46343 1.84965 -40.39609 579.03373
7745.0000 -41.82251 -40.50740 1.31511 1.85082 -40.38805 563.95890
7750.0000 -41.70844 -40.44187 1.26657 1.82320 -40.57772 518.71008
FREEZING PROCESS: loop number 32 T-loop= 438.00000000000000
main_MD> interactions number 32 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.28283 2.53783 -0.23473
force_rgl> df(natom) 0.32740 -0.83394 -2.33730
7755.0000 -42.16777 -40.69245 1.47532 1.82696 -40.55191 526.75453
7760.0000 -42.11070 -40.91933 1.19137 1.78350 -40.85039 474.26193
7765.0000 -41.97603 -41.04053 0.93550 1.79276 -40.78684 451.92347
7770.0000 -41.87398 -41.01525 0.85873 1.76528 -40.97555 453.12352
7775.0000 -42.35562 -41.37720 0.97842 1.73604 -41.17636 411.91900
7780.0000 -41.91448 -40.88875 1.02572 1.78256 -40.85684 467.90962
7785.0000 -42.13617 -41.24139 0.89478 1.74604 -41.10773 415.45896
7790.0000 -42.10848 -41.05625 1.05222 1.74718 -41.09990 422.75640
7795.0000 -42.23126 -41.40337 0.82789 1.72486 -41.25317 401.59243
7800.0000 -42.39443 -41.59869 0.79574 1.69490 -41.45892 380.41918
7805.0000 -42.04247 -41.09782 0.94465 1.73328 -41.19531 438.00471
7810.0000 -42.13735 -41.01115 1.12620 1.75743 -41.02949 458.41376
7815.0000 -41.86134 -40.72318 1.13816 1.78009 -40.87385 453.22978
7820.0000 -42.47771 -41.30408 1.17363 1.74404 -41.12145 424.01732
7825.0000 -42.19525 -41.39060 0.80465 1.70565 -41.38511 380.55563
7830.0000 -42.01418 -41.05757 0.95661 1.71581 -41.31531 393.45313
7835.0000 -42.24950 -41.49864 0.75086 1.71279 -41.33608 384.80060
7840.0000 -42.10627 -41.05604 1.05023 1.72702 -41.23831 396.69130
7845.0000 -42.19525 -40.76515 1.43010 1.72059 -41.28247 387.51780
7850.0000 -42.02295 -41.39154 0.63141 1.76773 -40.95874 429.30026
7855.0000 -41.71040 -41.07587 0.63453 1.71792 -41.30083 389.25769
7860.0000 -41.93622 -40.81981 1.11641 1.75273 -41.06178 396.23281
7865.0000 -41.94163 -40.70185 1.23978 1.78810 -40.81879 474.33083
7870.0000 -42.18913 -41.03185 1.15728 1.75714 -41.03143 437.19464
7875.0000 -42.24418 -41.10334 1.14084 1.73578 -41.17816 407.01537
7880.0000 -42.45168 -41.39023 1.06144 1.73491 -41.18417 412.50698
7885.0000 -42.07095 -40.91834 1.15261 1.76754 -40.96000 471.99200
7890.0000 -42.00946 -41.17516 0.83430 1.73423 -41.18880 400.48250
7895.0000 -41.22238 -40.66788 0.55450 1.76281 -40.99249 422.17911
7900.0000 -41.64013 -40.69792 0.94221 1.84319 -40.44044 529.82804
7905.0000 -42.10853 -40.67364 1.43490 1.80469 -40.70485 499.57207
7910.0000 -41.94023 -40.99191 0.94832 1.76359 -40.98713 467.79267
7915.0000 -41.61872 -40.63488 0.98385 1.78439 -40.84432 474.34003
7920.0000 -42.20438 -41.17854 1.02583 1.79052 -40.80220 504.57627
7925.0000 -42.04905 -41.12330 0.92575 1.73014 -41.21693 413.46975
7930.0000 -42.07206 -41.19242 0.87964 1.72782 -41.23285 412.82028
7935.0000 -42.28570 -41.33716 0.94854 1.73091 -41.21160 415.27944
7940.0000 -41.99492 -41.07723 0.91768 1.73595 -41.17699 434.60659
7945.0000 -41.93203 -41.07505 0.85698 1.76030 -41.00977 441.45589
7950.0000 -42.47680 -41.27485 1.20195 1.70736 -41.37337 386.58585
7955.0000 -42.07039 -41.12702 0.94337 1.73978 -41.15070 425.22331
7960.0000 -41.89067 -40.71824 1.17243 1.76624 -40.96896 457.73295
7965.0000 -42.09933 -41.13903 0.96029 1.76962 -40.94573 455.79872
7970.0000 -42.09249 -41.06845 1.02404 1.74371 -41.12369 408.69949
7975.0000 -42.04243 -41.07424 0.96819 1.74827 -41.09236 415.39768
7980.0000 -42.05807 -41.17091 0.88717 1.71719 -41.30582 381.28709
7985.0000 -42.00455 -40.78460 1.21995 1.77340 -40.91981 456.94746
7990.0000 -42.00950 -40.82697 1.18253 1.79369 -40.78039 490.57147
7995.0000 -41.76346 -40.59795 1.16552 1.78475 -40.84184 494.58463
8000.0000 -42.33471 -41.37697 0.95774 1.76814 -40.95590 443.36968
FREEZING PROCESS: loop number 33 T-loop= 413.00000000000000
main_MD> interactions number 33 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23153 1.51129 -0.49732
force_rgl> df(natom) 0.17009 1.23204 -2.23664
8005.0000 -42.02886 -41.07862 0.95024 1.70529 -41.38756 365.59060
8010.0000 -42.28505 -41.25443 1.03062 1.72860 -41.22751 423.73812
8015.0000 -42.40169 -41.55743 0.84426 1.68545 -41.52382 327.72659
8020.0000 -42.31477 -41.42366 0.89111 1.70473 -41.39142 378.19993
8025.0000 -42.12395 -41.22963 0.89432 1.72145 -41.27661 400.68593
8030.0000 -42.20112 -41.47071 0.73041 1.71687 -41.30804 378.07790
8035.0000 -41.95314 -41.20137 0.75178 1.71557 -41.31696 381.65252
8040.0000 -42.03710 -41.20545 0.83164 1.73278 -41.19877 380.31405
8045.0000 -42.00035 -40.95131 1.04904 1.77129 -40.93429 464.34858
8050.0000 -41.91168 -40.93999 0.97169 1.74348 -41.12526 411.41160
8055.0000 -42.06917 -41.23505 0.83412 1.74828 -41.09231 423.29188
8060.0000 -42.16351 -41.23881 0.92470 1.73415 -41.18936 413.15191
8065.0000 -42.00139 -41.16622 0.83517 1.74969 -41.08262 432.06971
8070.0000 -41.91757 -41.12251 0.79506 1.75908 -41.01812 440.82288
8075.0000 -42.20133 -41.06395 1.13739 1.74819 -41.09292 442.40114
8080.0000 -42.38112 -41.62066 0.76046 1.71442 -41.32491 361.03556
8085.0000 -41.90260 -41.13703 0.76557 1.72068 -41.28191 359.73337
8090.0000 -41.98686 -41.18697 0.79989 1.72565 -41.24773 391.05144
8095.0000 -41.98241 -41.38116 0.60126 1.72523 -41.25066 390.52280
8100.0000 -42.36045 -41.57943 0.78102 1.67349 -41.60599 326.91691
8105.0000 -42.36231 -41.16747 1.19485 1.70338 -41.40069 371.15556
8110.0000 -42.41109 -41.24698 1.16410 1.69348 -41.46869 349.40384
8115.0000 -42.42028 -41.50955 0.91073 1.70701 -41.37574 371.46663
8120.0000 -42.48825 -41.54072 0.94753 1.68589 -41.52082 346.91256
8125.0000 -42.44527 -41.21746 1.22782 1.71538 -41.31831 391.10090
8130.0000 -42.37164 -41.06194 1.30970 1.75247 -41.06356 435.48919
8135.0000 -42.32870 -41.35929 0.96941 1.71839 -41.29763 388.40493
8140.0000 -42.12248 -41.39725 0.72524 1.70746 -41.37269 350.81122
8145.0000 -42.36685 -41.53758 0.82926 1.70139 -41.41435 373.62531
8150.0000 -42.38361 -41.63275 0.75086 1.67891 -41.56878 326.81118
8155.0000 -42.32864 -41.58820 0.74044 1.65370 -41.74191 299.64180
8160.0000 -42.04929 -41.19165 0.85764 1.69293 -41.47245 358.16669
8165.0000 -42.14770 -41.03088 1.11682 1.73714 -41.16880 443.80092
8170.0000 -41.90038 -40.48880 1.41157 1.75627 -41.03743 404.84205
8175.0000 -41.72100 -40.84024 0.88076 1.79353 -40.78155 511.00984
8180.0000 -42.00170 -41.08997 0.91172 1.76855 -40.95309 455.27278
8185.0000 -42.21526 -41.41358 0.80168 1.72737 -41.23596 381.73413
8190.0000 -42.22553 -41.15688 1.06864 1.72612 -41.24454 399.27216
8195.0000 -42.07174 -41.38643 0.68531 1.69380 -41.46648 360.24393
8200.0000 -42.39586 -41.39595 0.99991 1.70027 -41.42208 367.65848
8205.0000 -42.15885 -41.22962 0.92923 1.74782 -41.09549 418.44044
8210.0000 -42.00157 -41.16920 0.83237 1.73583 -41.17779 384.04381
8215.0000 -42.00007 -41.16956 0.83051 1.73673 -41.17165 426.61502
8220.0000 -42.01610 -41.17202 0.84408 1.73028 -41.21597 417.78321
8225.0000 -42.18267 -40.88468 1.29799 1.74684 -41.10223 425.77198
8230.0000 -42.13694 -41.31216 0.82478 1.73598 -41.17682 420.77142
8235.0000 -42.29076 -41.34020 0.95055 1.70322 -41.40181 375.46876
8240.0000 -42.01297 -41.02231 0.99066 1.74038 -41.14660 424.13084
8245.0000 -42.24559 -41.34024 0.90535 1.73479 -41.18496 410.83184
8250.0000 -42.07277 -41.34858 0.72419 1.73029 -41.21584 389.86656
FREEZING PROCESS: loop number 34 T-loop= 388.00000000000000
main_MD> interactions number 34 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.14616 3.29362 -4.21046
force_rgl> df(natom) 1.09661 -0.60680 -0.76923
8255.0000 -42.27201 -41.48532 0.78670 1.69993 -41.42442 358.97678
8260.0000 -42.31097 -41.38568 0.92529 1.71082 -41.34959 392.90618
8265.0000 -42.42437 -41.44957 0.97480 1.69336 -41.46954 363.52591
8270.0000 -42.42270 -41.28961 1.13309 1.73115 -41.20996 417.94160
8275.0000 -42.12492 -41.45589 0.66902 1.72266 -41.26829 402.55099
8280.0000 -42.13830 -41.27720 0.86110 1.72139 -41.27699 384.09664
8285.0000 -42.29774 -41.31427 0.98348 1.68152 -41.55081 346.87955
8290.0000 -41.96425 -40.81843 1.14582 1.74534 -41.11249 434.66283
8295.0000 -42.28860 -41.13701 1.15159 1.77627 -40.90005 469.50772
8300.0000 -42.24950 -41.20955 1.03995 1.72974 -41.21964 398.22273
8305.0000 -41.92039 -41.22459 0.69580 1.72719 -41.23720 392.14316
8310.0000 -42.14984 -41.20818 0.94166 1.72884 -41.22581 400.01139
8315.0000 -42.40972 -41.76477 0.64495 1.68684 -41.51430 341.03469
8320.0000 -42.40294 -41.26670 1.13625 1.73079 -41.21247 393.16815
8325.0000 -42.08638 -41.22909 0.85729 1.73631 -41.17454 411.17408
8330.0000 -42.06177 -41.26042 0.80135 1.73999 -41.14923 439.34894
8335.0000 -42.25511 -41.21228 1.04283 1.73017 -41.21673 405.36384
8340.0000 -42.16569 -41.25137 0.91432 1.74617 -41.10679 443.53477
8345.0000 -41.70836 -40.86877 0.83959 1.75303 -41.05968 432.23834
8350.0000 -42.21310 -41.11733 1.09577 1.76597 -40.97079 435.68439
8355.0000 -41.58680 -41.03254 0.55426 1.73784 -41.16400 404.82456
8360.0000 -42.28645 -41.40820 0.87826 1.73154 -41.20728 407.18832
8365.0000 -42.04222 -41.36055 0.68167 1.70517 -41.38843 377.45533
8370.0000 -42.04850 -41.20611 0.84240 1.75838 -41.02294 424.92384
8375.0000 -42.08658 -41.31185 0.77472 1.71988 -41.28737 375.13188
8380.0000 -42.25056 -41.48019 0.77037 1.70238 -41.40759 360.54576
8385.0000 -42.31645 -41.23548 1.08096 1.71667 -41.30943 399.55126
8390.0000 -41.97576 -40.83101 1.14474 1.78655 -40.82948 492.64166
8395.0000 -41.80317 -40.75460 1.04857 1.77272 -40.92448 462.55319
8400.0000 -41.80326 -41.03694 0.76632 1.78933 -40.81039 464.43401
8405.0000 -42.22641 -41.50258 0.72383 1.73139 -41.20832 404.27677
8410.0000 -41.89813 -41.30902 0.58911 1.68462 -41.52952 330.42265
8415.0000 -42.46015 -41.37135 1.08880 1.72516 -41.25114 405.55673
8420.0000 -42.05231 -41.27600 0.77631 1.71972 -41.28849 397.30265
8425.0000 -42.40206 -41.34191 1.06015 1.70319 -41.40199 375.43942
8430.0000 -42.65612 -41.90670 0.74942 1.65628 -41.72420 327.43983
8435.0000 -42.68175 -41.70189 0.97986 1.69174 -41.48068 366.29935
8440.0000 -42.45440 -41.59501 0.85939 1.67072 -41.62504 350.08214
8445.0000 -42.33428 -41.25633 1.07795 1.70800 -41.36894 395.25306
8450.0000 -42.35096 -41.45059 0.90037 1.71223 -41.33992 385.86109
8455.0000 -42.21554 -41.19220 1.02335 1.69315 -41.47096 360.69717
8460.0000 -42.26120 -41.17796 1.08324 1.73907 -41.15558 421.44776
8465.0000 -42.06442 -40.97003 1.09439 1.74254 -41.13173 416.74391
8470.0000 -41.82639 -41.01319 0.81320 1.77031 -40.94103 458.64725
8475.0000 -42.18225 -41.06496 1.11729 1.73482 -41.18478 410.56688
8480.0000 -42.06837 -41.02907 1.03930 1.76085 -41.00598 452.48776
8485.0000 -42.30754 -41.47293 0.83460 1.71259 -41.33741 400.07673
8490.0000 -42.34616 -41.41184 0.93433 1.69944 -41.42774 367.40372
8495.0000 -42.55740 -41.36138 1.19602 1.73589 -41.17744 428.22957
8500.0000 -42.37439 -41.64108 0.73332 1.71295 -41.33498 405.16741
FREEZING PROCESS: loop number 35 T-loop= 363.00000000000000
main_MD> interactions number 35 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.44876 -1.14261 -2.24809
force_rgl> df(natom) 0.64490 2.06575 2.81734
8505.0000 -42.42453 -41.34186 1.08267 1.68675 -41.51493 355.85579
8510.0000 -41.88781 -40.94254 0.94527 1.75361 -41.05570 465.60127
8515.0000 -42.22741 -40.92337 1.30404 1.81313 -40.64694 522.79670
8520.0000 -42.36117 -41.29065 1.07052 1.75255 -41.06296 419.37540
8525.0000 -41.95694 -40.93672 1.02022 1.72617 -41.24420 388.95927
8530.0000 -42.27992 -41.39403 0.88589 1.72609 -41.24475 374.20932
8535.0000 -42.40752 -41.40350 1.00402 1.71966 -41.28892 383.26193
8540.0000 -42.15299 -41.42777 0.72522 1.72400 -41.25910 403.72569
8545.0000 -42.50569 -41.66054 0.84515 1.66939 -41.63414 319.75094
8550.0000 -42.24765 -41.39627 0.85138 1.70069 -41.41920 367.28048
8555.0000 -42.18859 -41.63952 0.54907 1.68667 -41.51547 343.43164
8560.0000 -42.15611 -41.39057 0.76555 1.68738 -41.51059 336.21459
8565.0000 -42.06159 -41.22037 0.84121 1.73340 -41.19451 393.27357
8570.0000 -42.40418 -41.33078 1.07340 1.71872 -41.29535 385.43755
8575.0000 -42.16228 -41.36907 0.79321 1.67458 -41.59849 334.08440
8580.0000 -42.20762 -41.43982 0.76779 1.70495 -41.38992 387.99756
8585.0000 -42.49425 -41.45653 1.03772 1.68391 -41.53444 341.32490
8590.0000 -42.45230 -41.60742 0.84488 1.72223 -41.27125 406.30416
8595.0000 -42.21778 -41.37946 0.83832 1.71245 -41.33837 373.68924
8600.0000 -41.97735 -41.12145 0.85590 1.71511 -41.32010 373.32419
8605.0000 -42.19008 -41.44752 0.74255 1.70910 -41.36139 379.87106
8610.0000 -42.10943 -41.07263 1.03680 1.74027 -41.14734 410.39335
8615.0000 -42.42360 -41.32869 1.09492 1.72640 -41.24258 401.43911
8620.0000 -42.13511 -41.29927 0.83584 1.72732 -41.23629 379.22654
8625.0000 -42.55592 -41.92809 0.62783 1.66344 -41.67500 302.07777
8630.0000 -42.52876 -41.62425 0.90450 1.65937 -41.70298 317.04475
8635.0000 -42.27414 -41.40190 0.87224 1.67641 -41.58591 337.53452
8640.0000 -42.44074 -41.69194 0.74880 1.68812 -41.50550 366.09704
8645.0000 -42.21969 -41.58140 0.63829 1.67182 -41.61747 324.85800
8650.0000 -42.01519 -41.30601 0.70918 1.69395 -41.46544 345.13496
8655.0000 -42.23169 -41.42430 0.80739 1.69162 -41.48146 350.44205
8660.0000 -42.33970 -41.23899 1.10071 1.73431 -41.18825 401.54290
8665.0000 -42.10400 -41.27539 0.82861 1.70718 -41.37461 361.81774
8670.0000 -42.10543 -41.05371 1.05172 1.72704 -41.23818 376.86404
8675.0000 -42.30468 -41.38795 0.91672 1.73749 -41.16644 411.51903
8680.0000 -42.35872 -41.51577 0.84296 1.71413 -41.32686 364.25342
8685.0000 -42.29344 -41.47275 0.82069 1.69790 -41.43836 356.07888
8690.0000 -42.11808 -41.44968 0.66840 1.71081 -41.34966 386.09737
8695.0000 -42.29665 -41.60131 0.69533 1.69541 -41.45544 360.68678
8700.0000 -42.59409 -41.85294 0.74116 1.67885 -41.56918 338.46108
8705.0000 -42.51267 -41.67757 0.83510 1.66343 -41.67507 315.96271
8710.0000 -42.09383 -41.56363 0.53020 1.66463 -41.66686 315.63545
8715.0000 -42.49727 -41.79959 0.69768 1.67468 -41.59785 328.02624
8720.0000 -42.17953 -41.22528 0.95425 1.68662 -41.51580 358.88200
8725.0000 -42.03203 -41.12318 0.90884 1.73240 -41.20136 400.23439
8730.0000 -42.18222 -41.31301 0.86920 1.71666 -41.30949 391.66529
8735.0000 -42.31619 -41.60150 0.71469 1.68905 -41.49915 363.00397
8740.0000 -42.35054 -41.62894 0.72160 1.66571 -41.65941 334.85358
8745.0000 -42.31099 -41.43827 0.87273 1.69425 -41.46343 371.74612
8750.0000 -42.25600 -41.38738 0.86863 1.70765 -41.37138 382.64483
FREEZING PROCESS: loop number 36 T-loop= 338.00000000000000
main_MD> interactions number 36 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.73327 -1.09773 0.89100
force_rgl> df(natom) 2.60755 -0.97924 -1.83643
8755.0000 -42.35870 -41.62343 0.73527 1.66985 -41.63097 317.64663
8760.0000 -42.28668 -41.72422 0.56246 1.67366 -41.60481 320.38389
8765.0000 -42.67132 -41.94563 0.72569 1.63164 -41.89343 254.02425
8770.0000 -42.38155 -41.79324 0.58831 1.64086 -41.83010 282.95809
8775.0000 -42.08054 -41.27604 0.80450 1.69881 -41.43210 343.99129
8780.0000 -42.16499 -41.03586 1.12913 1.71987 -41.28741 359.79599
8785.0000 -42.39655 -41.41254 0.98401 1.72774 -41.23338 400.92559
8790.0000 -42.32975 -41.47243 0.85732 1.68279 -41.54211 334.04012
8795.0000 -42.23633 -41.32659 0.90973 1.69189 -41.47963 347.64450
8800.0000 -42.35965 -41.52041 0.83924 1.69542 -41.45538 349.83551
8805.0000 -42.47725 -41.98425 0.49300 1.65011 -41.76655 277.45826
8810.0000 -42.56162 -41.94223 0.61939 1.61661 -41.99663 232.28042
8815.0000 -42.24861 -41.14024 1.10837 1.66433 -41.66891 320.00316
8820.0000 -42.22793 -41.33983 0.88809 1.71763 -41.30281 426.64964
8825.0000 -42.35182 -41.59112 0.76070 1.69229 -41.47690 349.98977
8830.0000 -42.36405 -41.45457 0.90948 1.65754 -41.71552 315.23160
8835.0000 -41.74433 -40.86377 0.88056 1.68782 -41.50758 353.86507
8840.0000 -42.33255 -41.19849 1.13405 1.76691 -40.96437 452.91674
8845.0000 -42.28665 -41.40468 0.88197 1.70369 -41.39858 382.94632
8850.0000 -42.36964 -41.71068 0.65896 1.68826 -41.50454 348.65057
8855.0000 -42.12400 -41.38624 0.73776 1.67797 -41.57525 332.83615
8860.0000 -42.43904 -41.83566 0.60338 1.67219 -41.61494 319.88259
8865.0000 -42.01524 -41.38200 0.63324 1.68007 -41.56082 310.80332
8870.0000 -42.21588 -41.69643 0.51946 1.68360 -41.53658 312.53495
8875.0000 -42.54094 -42.00158 0.53936 1.64288 -41.81624 288.83291
8880.0000 -42.53449 -41.84762 0.68687 1.63927 -41.84102 279.90148
8885.0000 -42.24024 -41.33342 0.90682 1.67897 -41.56836 331.75275
8890.0000 -42.48755 -41.69933 0.78822 1.67297 -41.60958 325.43815
8895.0000 -42.63451 -41.73015 0.90436 1.66514 -41.66336 320.11156
8900.0000 -42.36661 -41.63851 0.72810 1.66082 -41.69302 318.86246
8905.0000 -42.22082 -41.66179 0.55903 1.65166 -41.75594 294.43832
8910.0000 -41.94810 -41.17214 0.77596 1.70838 -41.36633 373.08950
8915.0000 -41.92043 -40.92758 0.99285 1.73197 -41.20431 413.37923
8920.0000 -42.13056 -41.34615 0.78441 1.74070 -41.14440 399.84134
8925.0000 -42.40803 -41.38162 1.02641 1.68657 -41.51615 337.95245
8930.0000 -42.49765 -41.70193 0.79572 1.66784 -41.64481 309.12102
8935.0000 -42.46137 -41.59575 0.86562 1.68649 -41.51670 335.06419
8940.0000 -42.57635 -41.83948 0.73687 1.66133 -41.68952 314.23818
8945.0000 -42.38704 -41.54375 0.84328 1.66691 -41.65120 319.03237
8950.0000 -42.33353 -41.73039 0.60314 1.68244 -41.54455 347.11899
8955.0000 -42.41227 -41.81201 0.60026 1.63033 -41.90241 263.87192
8960.0000 -42.49891 -41.86661 0.63229 1.63503 -41.87018 280.08372
8965.0000 -42.53487 -41.79455 0.74032 1.64512 -41.80081 303.26912
8970.0000 -42.24146 -41.38874 0.85271 1.68583 -41.52123 348.52706
8975.0000 -42.40343 -41.12800 1.27543 1.70885 -41.36316 373.44728
8980.0000 -42.32516 -41.49923 0.82593 1.70383 -41.39763 374.06448
8985.0000 -42.09291 -41.33907 0.75383 1.67731 -41.57972 341.62330
8990.0000 -42.39855 -41.52966 0.86889 1.70619 -41.38142 377.21108
8995.0000 -42.51951 -41.69704 0.82246 1.67188 -41.61708 324.19919
9000.0000 -42.64694 -41.79521 0.85173 1.64250 -41.81887 290.91311
FREEZING PROCESS: loop number 37 T-loop= 313.00000000000000
main_MD> interactions number 37 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.88610 1.56171 -0.50324
force_rgl> df(natom) -2.07918 0.72368 -0.41989
9005.0000 -42.45629 -41.81788 0.63841 1.66219 -41.68363 327.29557
9010.0000 -42.69383 -41.86623 0.82760 1.62948 -41.90830 265.59554
9015.0000 -42.40139 -41.99084 0.41055 1.63754 -41.85293 276.35881
9020.0000 -42.66023 -42.15383 0.50639 1.60058 -42.10677 230.77684
9025.0000 -42.52239 -41.74126 0.78113 1.61429 -42.01257 244.84189
9030.0000 -42.59598 -41.83981 0.75618 1.63310 -41.88341 278.55296
9035.0000 -42.54214 -41.72598 0.81616 1.63514 -41.86941 275.14631
9040.0000 -42.31521 -41.74065 0.57455 1.66610 -41.65674 312.99117
9045.0000 -42.60213 -41.93748 0.66465 1.64564 -41.79730 301.07068
9050.0000 -42.57392 -41.62796 0.94597 1.65616 -41.72505 327.21727
9055.0000 -42.37553 -41.38930 0.98623 1.70168 -41.41237 391.85004
9060.0000 -42.38489 -41.60610 0.77878 1.68465 -41.52936 338.44371
9065.0000 -42.44836 -41.87323 0.57513 1.65397 -41.74005 299.24208
9070.0000 -42.59481 -42.09479 0.50002 1.61660 -41.99676 252.39325
9075.0000 -42.52201 -41.80173 0.72028 1.60911 -42.04820 241.56707
9080.0000 -42.40856 -41.64302 0.76554 1.66054 -41.69496 328.38922
9085.0000 -42.57509 -41.96289 0.61220 1.63339 -41.88144 279.27489
9090.0000 -42.64954 -41.68263 0.96691 1.64714 -41.78695 308.66903
9095.0000 -42.75401 -42.00105 0.75296 1.64383 -41.80972 301.60541
9100.0000 -42.48651 -41.75457 0.73194 1.61234 -42.02596 251.02684
9105.0000 -42.66803 -42.01062 0.65742 1.62918 -41.91035 274.73024
9110.0000 -42.44618 -41.90946 0.53671 1.62059 -41.96930 262.93915
9115.0000 -42.41602 -41.74923 0.66679 1.62162 -41.96225 258.11050
9120.0000 -42.29496 -41.58700 0.70797 1.66386 -41.67214 326.35379
9125.0000 -42.59896 -41.99574 0.60322 1.66356 -41.67419 314.62150
9130.0000 -42.25505 -41.55653 0.69852 1.62751 -41.92177 276.97040
9135.0000 -42.26617 -41.63740 0.62877 1.66749 -41.64719 320.15522
9140.0000 -42.49889 -42.11705 0.38183 1.64818 -41.77983 290.77708
9145.0000 -42.56094 -41.95228 0.60866 1.62419 -41.94463 266.80809
9150.0000 -42.34647 -41.73091 0.61556 1.65534 -41.73063 308.65251
9155.0000 -42.62929 -42.05988 0.56941 1.64129 -41.82714 282.99455
9160.0000 -42.29793 -41.67732 0.62061 1.62186 -41.96063 255.89750
9165.0000 -42.27938 -41.47832 0.80106 1.66955 -41.63308 318.88874
9170.0000 -42.21202 -41.49190 0.72012 1.69210 -41.47819 363.80040
9175.0000 -42.25594 -41.28029 0.97566 1.72351 -41.26247 396.27859
9180.0000 -42.22651 -41.29412 0.93239 1.71285 -41.33565 406.31659
9185.0000 -42.24375 -41.74044 0.50330 1.71085 -41.34938 385.68974
9190.0000 -42.43705 -41.72442 0.71264 1.67571 -41.59074 330.15340
9195.0000 -42.18509 -41.08384 1.10126 1.69239 -41.47619 364.85271
9200.0000 -42.37164 -41.46473 0.90691 1.70497 -41.38975 386.60064
9205.0000 -42.48511 -41.72139 0.76372 1.68910 -41.49881 362.45986
9210.0000 -42.41919 -41.49412 0.92507 1.67305 -41.60902 334.55627
9215.0000 -42.61263 -41.78316 0.82947 1.65878 -41.70705 310.26231
9220.0000 -42.45505 -41.73556 0.71949 1.61774 -41.98889 263.43221
9225.0000 -42.47275 -41.73063 0.74212 1.65764 -41.71487 315.16999
9230.0000 -42.52795 -41.73424 0.79371 1.65027 -41.76548 290.20049
9235.0000 -42.56002 -41.47823 1.08180 1.67648 -41.58546 330.00560
9240.0000 -42.35668 -41.64904 0.70764 1.67097 -41.62332 300.53214
9245.0000 -42.63054 -41.80683 0.82371 1.63690 -41.85731 278.09291
9250.0000 -42.38701 -41.45789 0.92912 1.65511 -41.73223 312.17102
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 29.5736472 [s].
main_MD> Deallocating global variables
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