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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_93/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_93.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 = 93 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 93 9300
main_MD> Size of nv and nvoiz: 93 9300
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 = 93
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> 3.8660077341446934E-002 -1.8657483127129053E-002 6.8791124871780171E-002 initial drift of cluster / NP1 for coalescence
init> 0.30285424008947487 0.32094434527796079 0.29868702026054206 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7269720579823353E-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) 8.76926 1.51325 -1.70731
force_rgl> df(natom) -1.77298 6.07242 6.61678
preparo> THERMALIZATION PROCESS AT 1202.8176210697534
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -203.45960324121370 17.089175624399868 -220.54877886561357 7.2644485229062937E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
FREEZING PROCESS: loop number 1 T-loop= 1180.0000000000000
main_MD> interactions number 1 at Temperature= 1180.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.91367 0.57546 -2.48667
force_rgl> df(natom) -0.38053 1.50402 0.00497
5.0000 -221.54026 -206.86670 14.67356 3.37885 -204.99299 1203.01118
10.0000 -221.13194 -205.68949 15.44245 3.26556 -207.31831 1157.51319
15.0000 -221.69898 -206.28515 15.41383 3.35117 -205.56118 1252.46193
20.0000 -220.62453 -208.64797 11.97657 3.26080 -207.41606 1170.92434
25.0000 -219.62770 -204.34614 15.28157 3.25204 -207.59582 1171.87870
30.0000 -222.07924 -209.71687 12.36237 3.29738 -206.66530 1192.38043
35.0000 -221.08024 -206.11653 14.96371 3.32652 -206.06712 1226.59484
40.0000 -219.89313 -206.54205 13.35108 3.30659 -206.47619 1202.71335
45.0000 -223.06807 -207.01522 16.05286 3.30668 -206.47431 1191.07101
50.0000 -214.62136 -200.45454 14.16682 3.37708 -205.02927 1252.77605
55.0000 -223.70088 -209.70156 13.99932 3.31068 -206.39228 1200.19678
60.0000 -223.83351 -209.08583 14.74768 3.20205 -208.62213 1131.86212
65.0000 -221.60782 -207.05726 14.55055 3.28097 -207.00202 1171.64560
70.0000 -221.48895 -207.42277 14.06618 3.26978 -207.23173 1155.31556
75.0000 -223.38599 -207.34013 16.04587 3.27272 -207.17134 1197.31978
80.0000 -220.72470 -205.98426 14.74044 3.29260 -206.76336 1197.40186
85.0000 -221.90339 -207.47532 14.42807 3.29529 -206.70812 1186.77746
90.0000 -222.71763 -209.27542 13.44221 3.27146 -207.19723 1156.13925
95.0000 -221.86733 -209.03831 12.82902 3.20137 -208.63599 1123.31727
100.0000 -220.96433 -207.08582 13.87851 3.15876 -209.51058 1127.21384
105.0000 -219.70885 -204.98252 14.72633 3.30586 -206.49115 1198.26768
110.0000 -221.00180 -205.31387 15.68794 3.33221 -205.95026 1213.58281
115.0000 -221.76530 -208.06708 13.69822 3.26117 -207.40847 1151.40925
120.0000 -224.02743 -210.55356 13.47387 3.13880 -209.92045 1104.57656
125.0000 -224.12702 -207.86601 16.26100 3.15633 -209.56051 1104.33021
130.0000 -223.58383 -210.49741 13.08642 3.20242 -208.61455 1156.56878
135.0000 -218.23357 -205.57092 12.66265 3.19707 -208.72417 1165.25052
140.0000 -221.99914 -208.21383 13.78530 3.28078 -207.00604 1182.04663
145.0000 -221.16020 -206.31578 14.84441 3.32773 -206.04224 1204.81627
150.0000 -221.38800 -205.56254 15.82546 3.31313 -206.34195 1202.79680
155.0000 -219.69101 -204.92592 14.76508 3.38077 -204.95357 1229.63980
160.0000 -221.41895 -206.17983 15.23913 3.31321 -206.34032 1190.01671
165.0000 -220.79693 -208.29734 12.49959 3.26792 -207.26999 1142.93529
170.0000 -223.97787 -209.05556 14.92231 3.24374 -207.76637 1146.40461
175.0000 -222.43413 -208.15989 14.27424 3.14735 -209.74480 1135.25673
180.0000 -221.50140 -207.95319 13.54820 3.21879 -208.27840 1152.72344
185.0000 -218.64752 -204.46820 14.17932 3.33091 -205.97690 1226.06049
190.0000 -222.15367 -209.71227 12.44140 3.21895 -208.27508 1137.12596
195.0000 -223.06342 -209.60022 13.46320 3.12061 -210.29381 1073.47988
200.0000 -223.00275 -212.60719 10.39556 3.12976 -210.10602 1089.73922
205.0000 -224.37146 -211.68283 12.68864 3.03350 -212.08192 1039.31760
210.0000 -223.06128 -209.07630 13.98498 3.09318 -210.85674 1054.29360
215.0000 -223.09212 -210.47132 12.62080 3.08008 -211.12572 1059.64613
220.0000 -222.96761 -210.43128 12.53632 3.12372 -210.22993 1081.09832
225.0000 -221.56421 -208.00179 13.56242 3.23112 -208.02536 1152.26860
230.0000 -224.26043 -211.54485 12.71558 3.19851 -208.69468 1161.27668
235.0000 -221.25168 -207.21612 14.03556 3.18787 -208.91313 1097.87768
240.0000 -222.70447 -209.02697 13.67750 3.21486 -208.35910 1137.16083
245.0000 -222.89056 -208.46364 14.42692 3.17038 -209.27221 1133.69264
250.0000 -220.47713 -207.70414 12.77298 3.18310 -209.01101 1109.47749
FREEZING PROCESS: loop number 2 T-loop= 1155.0000000000000
main_MD> interactions number 2 at Temperature= 1155.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.46961 2.46474 -0.99615
force_rgl> df(natom) 2.29228 0.99113 2.36189
255.0000 -220.08566 -206.38604 13.69962 3.29387 -206.73719 1204.62383
260.0000 -222.52160 -210.96173 11.55987 3.20009 -208.66236 1134.04387
265.0000 -218.95324 -207.65019 11.30305 3.17614 -209.15390 1113.71247
270.0000 -223.01158 -209.11309 13.89849 3.19059 -208.85720 1123.66592
275.0000 -223.30724 -208.89507 14.41217 3.17501 -209.17708 1130.44787
280.0000 -222.78793 -207.34264 15.44529 3.26203 -207.39076 1184.92651
285.0000 -222.17021 -208.44711 13.72310 3.20665 -208.52753 1183.00527
290.0000 -221.55879 -206.87783 14.68096 3.23870 -207.86966 1152.99339
295.0000 -220.83361 -208.53592 12.29768 3.28034 -207.01500 1168.61461
300.0000 -221.98928 -208.69038 13.29890 3.17762 -209.12353 1118.50107
305.0000 -220.87100 -205.43132 15.43969 3.26629 -207.30349 1184.30744
310.0000 -220.32056 -205.71761 14.60294 3.32416 -206.11555 1182.18881
315.0000 -222.47893 -209.37668 13.10226 3.28201 -206.98074 1194.39838
320.0000 -221.00129 -208.39586 12.60543 3.22399 -208.17179 1145.25314
325.0000 -220.13928 -205.28650 14.85279 3.26633 -207.30252 1180.67278
330.0000 -217.31008 -204.12485 13.18523 3.39899 -204.57941 1223.28791
335.0000 -222.82138 -208.50832 14.31306 3.29744 -206.66391 1162.76309
340.0000 -218.85570 -207.11936 11.73634 3.26996 -207.22810 1163.18963
345.0000 -223.47472 -207.45066 16.02405 3.27827 -207.05760 1188.72044
350.0000 -223.12715 -209.73026 13.39689 3.16934 -209.29350 1116.94484
355.0000 -220.87842 -208.08679 12.79163 3.18427 -208.98710 1125.95118
360.0000 -222.80919 -209.15382 13.65537 3.22333 -208.18522 1134.38475
365.0000 -222.55570 -208.23286 14.32284 3.20253 -208.61217 1122.81033
370.0000 -220.75527 -205.55547 15.19980 3.27021 -207.22295 1173.47464
375.0000 -223.38300 -210.26108 13.12192 3.26074 -207.41734 1157.71924
380.0000 -222.47713 -209.64994 12.82719 3.11394 -210.43066 1084.87027
385.0000 -223.70515 -210.10306 13.60208 3.13166 -210.06687 1063.38101
390.0000 -222.96480 -208.03688 14.92792 3.18126 -209.04881 1131.22802
395.0000 -221.75351 -208.54565 13.20786 3.21006 -208.45759 1117.38065
400.0000 -221.44406 -207.92997 13.51410 3.17857 -209.10397 1115.67449
405.0000 -224.34721 -210.16726 14.17995 3.15594 -209.56852 1099.46051
410.0000 -221.58125 -208.69433 12.88691 3.15568 -209.57384 1105.40408
415.0000 -221.11888 -205.53864 15.58024 3.29919 -206.62810 1169.07211
420.0000 -222.00270 -208.08893 13.91377 3.33510 -205.89102 1215.84780
425.0000 -221.40608 -208.72499 12.68110 3.22936 -208.06156 1157.07231
430.0000 -221.92028 -208.28254 13.63774 3.22877 -208.07360 1161.99900
435.0000 -220.83658 -206.22371 14.61288 3.22112 -208.23058 1151.06356
440.0000 -223.00915 -209.98729 13.02186 3.25283 -207.57963 1161.34430
445.0000 -219.94597 -204.80287 15.14311 3.23192 -208.00899 1146.12581
450.0000 -218.52631 -204.31087 14.21544 3.31513 -206.30082 1177.13484
455.0000 -219.63583 -206.09782 13.53801 3.33587 -205.87514 1194.58369
460.0000 -220.97723 -205.66376 15.31346 3.32472 -206.10403 1172.57264
465.0000 -218.75087 -206.25562 12.49525 3.30891 -206.42864 1198.67710
470.0000 -222.71000 -208.78110 13.92890 3.29199 -206.77580 1198.06999
475.0000 -220.69665 -207.80224 12.89441 3.22032 -208.24705 1144.62621
480.0000 -221.59147 -209.40999 12.18149 3.20882 -208.48313 1138.03815
485.0000 -220.72723 -207.54029 13.18693 3.24389 -207.76311 1123.31272
490.0000 -218.71241 -201.98452 16.72789 3.39885 -204.58229 1271.59776
495.0000 -222.44588 -207.65969 14.78620 3.42210 -204.10520 1267.64039
500.0000 -221.75591 -206.88730 14.86862 3.21028 -208.45302 1131.94576
FREEZING PROCESS: loop number 3 T-loop= 1130.0000000000000
main_MD> interactions number 3 at Temperature= 1130.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02345 0.33214 -2.70718
force_rgl> df(natom) 0.64675 3.22675 0.75418
505.0000 -220.40646 -206.19038 14.21608 3.25645 -207.50536 1172.25690
510.0000 -220.29132 -206.13403 14.15729 3.35484 -205.48571 1234.16147
515.0000 -221.93191 -209.01312 12.91879 3.18540 -208.96375 1134.84772
520.0000 -220.95621 -206.23485 14.72136 3.26180 -207.39548 1188.19676
525.0000 -221.64556 -207.16276 14.48280 3.28822 -206.85323 1176.40749
530.0000 -225.46170 -211.08453 14.37717 3.18370 -208.99877 1103.25264
535.0000 -223.66540 -211.97032 11.69508 3.02680 -212.21936 1043.38718
540.0000 -223.38526 -211.03928 12.34598 3.02571 -212.24165 1007.53739
545.0000 -220.47268 -206.28866 14.18402 3.20000 -208.66418 1144.73887
550.0000 -220.90202 -204.99052 15.91150 3.33971 -205.79624 1224.63913
555.0000 -222.40420 -208.39626 14.00794 3.28460 -206.92749 1167.02552
560.0000 -223.36522 -211.04918 12.31604 3.28298 -206.96086 1184.28478
565.0000 -222.83647 -210.24108 12.59539 3.10068 -210.70286 1070.87742
570.0000 -222.00227 -209.73814 12.26412 3.12233 -210.25847 1075.22024
575.0000 -221.08678 -205.97787 15.10892 3.19966 -208.67113 1136.40734
580.0000 -222.24717 -208.71316 13.53401 3.29941 -206.62348 1168.82740
585.0000 -221.69546 -209.23753 12.45794 3.18547 -208.96236 1112.43242
590.0000 -224.01346 -209.59665 14.41681 3.18795 -208.91156 1121.42107
595.0000 -222.10072 -209.03215 13.06857 3.15922 -209.50120 1102.51208
600.0000 -222.42281 -209.41291 13.00990 3.16912 -209.29808 1122.72880
605.0000 -224.12249 -209.64029 14.48220 3.12836 -210.13463 1081.89657
610.0000 -222.37974 -208.70725 13.67248 3.20236 -208.61561 1141.61387
615.0000 -222.26773 -209.06402 13.20371 3.17890 -209.09724 1126.76158
620.0000 -222.25605 -209.58815 12.66790 3.13164 -210.06727 1076.82410
625.0000 -225.73353 -210.22099 15.51254 3.12826 -210.13677 1116.41789
630.0000 -220.20557 -205.25159 14.95398 3.23031 -208.04196 1158.99350
635.0000 -219.41718 -203.10039 16.31679 3.39126 -204.73809 1247.34275
640.0000 -220.90714 -205.26756 15.63958 3.43405 -203.85989 1284.23949
645.0000 -219.99897 -205.37472 14.62424 3.40746 -204.40562 1288.43550
650.0000 -221.10544 -207.19925 13.90620 3.32066 -206.18742 1178.12287
655.0000 -221.75675 -209.84823 11.90852 3.31236 -206.35773 1195.92983
660.0000 -221.24395 -208.53254 12.71141 3.15686 -209.54966 1102.57369
665.0000 -218.73949 -204.25409 14.48540 3.30154 -206.57990 1180.83475
670.0000 -221.53925 -207.52917 14.01007 3.32230 -206.15377 1192.77459
675.0000 -221.75363 -206.10094 15.65269 3.22894 -208.07005 1142.89331
680.0000 -220.21393 -207.50946 12.70447 3.24154 -207.81144 1157.93319
685.0000 -224.01882 -209.50133 14.51749 3.17485 -209.18048 1095.81916
690.0000 -224.09386 -210.08889 14.00496 3.11273 -210.45550 1078.49045
695.0000 -223.42656 -209.73558 13.69099 3.20719 -208.51662 1128.13931
700.0000 -222.41370 -209.73158 12.68212 3.14749 -209.74202 1132.53160
705.0000 -220.36842 -206.09709 14.27133 3.24633 -207.71318 1146.76159
710.0000 -220.71637 -205.60523 15.11114 3.37343 -205.10423 1237.51161
715.0000 -220.94011 -207.33278 13.60733 3.29720 -206.66883 1200.60469
720.0000 -223.23655 -208.06887 15.16768 3.22610 -208.12834 1139.19218
725.0000 -221.40685 -206.46090 14.94596 3.33292 -205.93570 1224.24774
730.0000 -221.29879 -208.19482 13.10397 3.28255 -206.96962 1208.18393
735.0000 -222.60255 -209.23787 13.36467 3.18059 -209.06250 1141.48183
740.0000 -223.32453 -209.18613 14.13840 3.14917 -209.70747 1102.91006
745.0000 -220.84108 -205.81328 15.02781 3.27894 -207.04371 1129.73904
750.0000 -221.32283 -205.98006 15.34277 3.28098 -207.00191 1187.44326
FREEZING PROCESS: loop number 4 T-loop= 1105.0000000000000
main_MD> interactions number 4 at Temperature= 1105.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.35040 1.22597 1.91577
force_rgl> df(natom) 0.83068 -1.74164 3.60590
755.0000 -222.71177 -209.30281 13.40896 3.26134 -207.40501 1183.66103
760.0000 -222.12618 -209.06933 13.05686 3.18399 -208.99271 1111.69776
765.0000 -223.57082 -208.84117 14.72965 3.21145 -208.42916 1109.40030
770.0000 -222.12449 -207.20969 14.91480 3.24225 -207.79696 1164.71478
775.0000 -223.54604 -207.39861 16.14743 3.19238 -208.82055 1120.85307
780.0000 -222.89809 -210.60241 12.29568 3.15175 -209.65456 1109.66998
785.0000 -224.05935 -210.49449 13.56486 3.08804 -210.96233 1075.54830
790.0000 -223.05695 -212.08169 10.97526 3.10458 -210.62273 1079.07314
795.0000 -225.08759 -212.00990 13.07769 3.07483 -211.23349 1021.72498
800.0000 -223.80957 -210.21136 13.59821 3.11090 -210.49298 1087.52906
805.0000 -223.75509 -212.24602 11.50906 3.08776 -210.96810 1072.49331
810.0000 -222.15958 -209.71719 12.44239 3.10948 -210.52220 1099.03680
815.0000 -222.75312 -207.75054 15.00258 3.23988 -207.84552 1161.08310
820.0000 -222.82735 -208.79340 14.03395 3.24334 -207.77445 1169.84905
825.0000 -223.96822 -211.49753 12.47069 3.09369 -210.84633 1074.93698
830.0000 -225.18334 -212.85491 12.32843 3.04761 -211.79214 1057.55589
835.0000 -225.20601 -212.95786 12.24815 2.97643 -213.25335 1029.45060
840.0000 -222.41618 -211.15190 11.26428 3.05350 -211.67132 1055.03139
845.0000 -221.46895 -209.32889 12.14006 3.13263 -210.04696 1072.03118
850.0000 -221.44155 -206.67413 14.76742 3.23750 -207.89431 1150.55225
855.0000 -222.13558 -210.31997 11.81561 3.21906 -208.27281 1152.70668
860.0000 -222.75410 -210.92975 11.82435 3.10406 -210.63351 1072.91245
865.0000 -222.99428 -209.14578 13.84850 3.15368 -209.61496 1109.82366
870.0000 -220.89747 -207.29595 13.60151 3.23848 -207.87430 1168.25925
875.0000 -223.29371 -208.24620 15.04751 3.24858 -207.66688 1166.61204
880.0000 -221.66520 -206.56837 15.09683 3.29548 -206.70427 1189.65030
885.0000 -222.60095 -208.25454 14.34641 3.25378 -207.56018 1162.62184
890.0000 -221.30849 -207.43800 13.87049 3.23866 -207.87056 1156.58724
895.0000 -220.56981 -207.44052 13.12929 3.24888 -207.66086 1185.99643
900.0000 -222.21223 -209.23400 12.97822 3.24233 -207.79530 1156.38002
905.0000 -221.16148 -207.52488 13.63659 3.16876 -209.30538 1112.67285
910.0000 -219.57650 -205.81679 13.75971 3.24973 -207.64329 1126.32654
915.0000 -218.22096 -203.93924 14.28172 3.34008 -205.78872 1182.11233
920.0000 -222.34878 -208.87963 13.46915 3.28036 -207.01460 1169.55595
925.0000 -222.08784 -209.55531 12.53253 3.12811 -210.13975 1056.05957
930.0000 -223.69150 -209.54575 14.14575 3.12125 -210.28070 1091.82135
935.0000 -223.20967 -210.21963 12.99003 3.09651 -210.78848 1070.22027
940.0000 -223.29888 -209.97634 13.32254 3.09795 -210.75889 1067.08226
945.0000 -222.78217 -208.15465 14.62753 3.17860 -209.10334 1121.31784
950.0000 -225.22150 -213.78169 11.43981 3.10812 -210.55008 1080.60344
955.0000 -222.05735 -210.00735 12.05000 3.08200 -211.08637 1083.96082
960.0000 -223.48727 -213.01153 10.47575 3.11125 -210.48598 1073.70190
965.0000 -223.67558 -210.10795 13.56763 3.10537 -210.60668 1066.05676
970.0000 -224.00270 -211.44549 12.55721 3.11638 -210.38054 1070.43003
975.0000 -224.50490 -211.75296 12.75194 3.02345 -212.28809 1042.96259
980.0000 -226.81364 -214.17867 12.63497 3.00821 -212.60097 1031.15597
985.0000 -223.25263 -211.02847 12.22416 2.95415 -213.71060 993.66207
990.0000 -223.63932 -210.22558 13.41374 3.12382 -210.22781 1095.95598
995.0000 -226.08674 -215.44563 10.64111 2.99722 -212.82646 1024.72838
1000.0000 -225.69929 -213.99779 11.70150 2.95685 -213.65519 971.40361
FREEZING PROCESS: loop number 5 T-loop= 1080.0000000000000
main_MD> interactions number 5 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10498 -1.65283 3.48139
force_rgl> df(natom) -1.85816 -0.35068 -9.92856
1005.0000 -226.51613 -214.68979 11.82634 2.91898 -214.43253 947.42750
1010.0000 -224.01461 -211.52894 12.48567 3.01492 -212.46316 997.33114
1015.0000 -225.18217 -214.07514 11.10702 3.04644 -211.81618 1028.97735
1020.0000 -225.28432 -214.16639 11.11792 2.93795 -214.04327 990.78312
1025.0000 -225.24320 -211.24731 13.99589 2.98921 -212.99090 1009.06298
1030.0000 -222.92414 -211.31308 11.61106 3.13204 -210.05917 1092.33629
1035.0000 -222.68484 -209.42782 13.25701 3.06404 -211.45486 1052.92067
1040.0000 -222.89930 -209.41445 13.48485 3.09677 -210.78303 1086.40730
1045.0000 -223.79567 -212.18340 11.61228 3.08966 -210.92907 1067.71023
1050.0000 -223.48030 -209.59933 13.88097 3.04892 -211.76524 1036.53840
1055.0000 -223.67004 -212.32856 11.34148 3.06763 -211.38131 1076.91981
1060.0000 -225.29450 -213.73608 11.55842 3.02300 -212.29732 1047.13370
1065.0000 -222.23401 -210.33103 11.90299 3.08051 -211.11690 1053.57933
1070.0000 -225.25140 -211.91416 13.33724 3.04492 -211.84734 1050.89813
1075.0000 -223.58123 -211.30340 12.27783 3.06806 -211.37242 1050.98375
1080.0000 -224.59328 -210.69548 13.89780 3.07311 -211.26871 1050.87458
1085.0000 -225.48499 -212.28174 13.20325 3.05775 -211.58414 1044.32693
1090.0000 -224.42375 -212.11763 12.30612 3.03160 -212.12086 1036.12041
1095.0000 -225.67768 -213.33095 12.34673 2.98203 -213.13837 1010.09862
1100.0000 -223.71599 -211.10792 12.60807 3.02306 -212.29618 1000.45355
1105.0000 -222.86592 -211.40260 11.46332 3.03229 -212.10665 1009.67228
1110.0000 -223.14314 -211.61593 11.52721 2.99134 -212.94725 983.81612
1115.0000 -223.57780 -213.60103 9.97677 3.03633 -212.02378 1023.92571
1120.0000 -223.04453 -210.60978 12.43475 3.05238 -211.69423 1005.65232
1125.0000 -222.37921 -211.26048 11.11874 3.06487 -211.43794 1059.16724
1130.0000 -223.09451 -210.97345 12.12106 3.05431 -211.65463 1048.54575
1135.0000 -222.18585 -209.92423 12.26163 3.01556 -212.45014 1014.11015
1140.0000 -225.07860 -213.09783 11.98077 3.06318 -211.47256 1074.38703
1145.0000 -222.39644 -209.42823 12.96821 3.06169 -211.50313 1047.99726
1150.0000 -224.72460 -212.57631 12.14829 3.07551 -211.21948 1052.03126
1155.0000 -223.86188 -209.54670 14.31518 3.13248 -210.05002 1084.11188
1160.0000 -225.61131 -212.58902 13.02229 3.07527 -211.22455 1068.67199
1165.0000 -220.71387 -208.45569 12.25819 3.12748 -210.15278 1117.07311
1170.0000 -222.56300 -209.74233 12.82067 3.24822 -207.67438 1153.91120
1175.0000 -223.55001 -209.67211 13.87790 3.14398 -209.81413 1098.32573
1180.0000 -221.07561 -208.76368 12.31193 3.20111 -208.64134 1120.82898
1185.0000 -221.98463 -209.57437 12.41026 3.20872 -208.48522 1119.77537
1190.0000 -221.07006 -206.07091 14.99915 3.27130 -207.20052 1176.91426
1195.0000 -222.42474 -207.80761 14.61712 3.28637 -206.89133 1216.16318
1200.0000 -223.52456 -210.33541 13.18915 3.15599 -209.56748 1111.98895
1205.0000 -222.28093 -210.35732 11.92361 3.09918 -210.73372 1048.99439
1210.0000 -221.70530 -210.76503 10.94027 3.11461 -210.41692 1072.71269
1215.0000 -225.10103 -212.11954 12.98149 3.06112 -211.51485 1048.67662
1220.0000 -224.02550 -210.60319 13.42231 3.04061 -211.93588 1040.25797
1225.0000 -225.08679 -212.26504 12.82175 3.08543 -211.01592 1058.71964
1230.0000 -223.23774 -209.73597 13.50177 3.11486 -210.41178 1083.98453
1235.0000 -222.18031 -208.85152 13.32878 3.13358 -210.02747 1122.81358
1240.0000 -224.18541 -212.87952 11.30590 3.13756 -209.94588 1082.26847
1245.0000 -221.21702 -209.24254 11.97449 3.09124 -210.89653 1055.85677
1250.0000 -220.75744 -208.27140 12.48605 3.17152 -209.24867 1130.09240
FREEZING PROCESS: loop number 6 T-loop= 1055.0000000000000
main_MD> interactions number 6 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03337 0.87775 5.05686
force_rgl> df(natom) -0.27765 3.66663 0.76505
1255.0000 -220.72904 -209.06477 11.66427 3.19453 -208.77634 1133.92932
1260.0000 -223.43787 -210.56247 12.87540 3.13241 -210.05157 1078.10647
1265.0000 -223.03232 -209.64964 13.38268 3.09948 -210.72753 1077.15613
1270.0000 -222.44562 -210.77703 11.66859 3.08680 -210.98772 1048.67273
1275.0000 -226.18736 -213.53953 12.64783 3.02118 -212.33480 1009.01527
1280.0000 -223.99292 -212.48609 11.50683 2.98489 -213.07957 1002.24516
1285.0000 -223.70098 -210.02469 13.67628 3.08394 -211.04654 1081.04120
1290.0000 -224.46776 -211.83182 12.63594 3.09325 -210.85533 1049.89487
1295.0000 -223.46436 -210.59503 12.86933 3.06842 -211.36503 1054.88036
1300.0000 -222.98249 -211.15296 11.82953 3.11739 -210.35981 1061.58062
1305.0000 -223.90109 -211.40717 12.49392 3.08058 -211.11548 1050.44792
1310.0000 -222.75675 -210.46805 12.28870 3.08546 -211.01526 1090.68219
1315.0000 -223.09497 -210.97152 12.12345 3.09674 -210.78375 1064.68425
1320.0000 -222.45027 -211.01266 11.43761 3.12066 -210.29273 1095.95064
1325.0000 -224.46612 -212.39436 12.07177 3.04911 -211.76141 1018.88467
1330.0000 -224.86600 -212.30821 12.55779 2.98601 -213.05661 964.90971
1335.0000 -225.24074 -210.46720 14.77354 3.06996 -211.33347 1048.25166
1340.0000 -221.38902 -208.82995 12.55908 3.06540 -211.42709 1086.33206
1345.0000 -222.90049 -210.28147 12.61902 3.14810 -209.72939 1113.41360
1350.0000 -223.64994 -209.16765 14.48229 3.08534 -211.01780 1063.40759
1355.0000 -223.96987 -212.14374 11.82613 3.12282 -210.24838 1059.89222
1360.0000 -224.43101 -209.62528 14.80572 3.13529 -209.99235 1082.76909
1365.0000 -223.07192 -210.20374 12.86818 3.17670 -209.14248 1104.32578
1370.0000 -221.44437 -208.81641 12.62796 3.12865 -210.12877 1060.50247
1375.0000 -222.26013 -206.49971 15.76041 3.27690 -207.08559 1169.21377
1380.0000 -221.75911 -207.01140 14.74771 3.32487 -206.10102 1211.83003
1385.0000 -225.07306 -211.61169 13.46137 3.14796 -209.73242 1094.45816
1390.0000 -226.06799 -213.78813 12.27985 3.04084 -211.93121 1069.96384
1395.0000 -223.21985 -211.11329 12.10656 3.05316 -211.67824 1034.08510
1400.0000 -225.21341 -211.12400 14.08941 3.17217 -209.23544 1091.52160
1405.0000 -224.52712 -213.38387 11.14326 3.04699 -211.80499 1047.44280
1410.0000 -224.80147 -211.70680 13.09467 3.05950 -211.54819 1012.61502
1415.0000 -223.04724 -210.88934 12.15790 3.07643 -211.20057 1059.14701
1420.0000 -223.20799 -210.02120 13.18679 3.11493 -210.41033 1090.03726
1425.0000 -225.25896 -213.25643 12.00253 3.08784 -210.96646 1033.72828
1430.0000 -225.54130 -212.73256 12.80875 2.99872 -212.79585 1001.54873
1435.0000 -224.72353 -212.37485 12.34868 3.02753 -212.20438 1029.77766
1440.0000 -225.15369 -212.99720 12.15649 3.00036 -212.76203 1026.36807
1445.0000 -224.77885 -213.32269 11.45616 2.95589 -213.67485 981.92268
1450.0000 -222.97153 -209.67995 13.29158 3.09033 -210.91541 1053.40562
1455.0000 -226.29909 -212.70213 13.59696 3.04949 -211.75358 1046.96484
1460.0000 -224.54926 -211.60020 12.94906 2.99614 -212.84882 1027.81276
1465.0000 -224.42048 -211.76710 12.65339 3.04347 -211.87729 1040.74427
1470.0000 -225.33962 -212.58635 12.75327 3.05624 -211.61503 1023.91936
1475.0000 -224.80906 -212.85682 11.95224 2.98433 -213.09122 1005.81429
1480.0000 -223.32234 -211.17538 12.14697 3.04131 -211.92162 1018.07198
1485.0000 -222.47911 -210.63802 11.84110 3.07232 -211.28505 1059.80327
1490.0000 -224.77639 -210.36471 14.41167 3.11710 -210.36580 1086.95605
1495.0000 -222.25792 -208.52153 13.73639 3.19349 -208.79786 1138.76365
1500.0000 -221.68762 -208.98901 12.69861 3.19419 -208.78348 1138.23611
FREEZING PROCESS: loop number 7 T-loop= 1030.0000000000000
main_MD> interactions number 7 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.66934 -3.90791 3.12230
force_rgl> df(natom) -1.79551 -2.73056 0.18779
1505.0000 -223.01830 -210.56038 12.45792 3.12887 -210.12415 1082.17836
1510.0000 -226.44720 -212.19585 14.25136 3.05114 -211.71984 1061.13066
1515.0000 -222.58906 -212.45442 10.13464 2.96605 -213.46633 1010.33487
1520.0000 -224.87961 -211.02548 13.85413 3.00896 -212.58554 1023.29458
1525.0000 -224.70254 -210.97581 13.72673 3.16220 -209.44013 1110.01242
1530.0000 -224.31126 -210.63073 13.68053 3.09442 -210.83145 1038.75690
1535.0000 -225.28399 -214.30024 10.98375 3.05257 -211.69033 1034.46026
1540.0000 -226.28754 -214.07438 12.21315 2.96916 -213.40246 993.68261
1545.0000 -225.32730 -212.95790 12.36940 2.96391 -213.51021 993.80230
1550.0000 -222.90260 -210.66436 12.23824 3.02379 -212.28114 1032.86770
1555.0000 -222.05887 -209.18359 12.87528 3.14572 -209.77836 1058.68044
1560.0000 -222.10542 -210.35955 11.74588 3.14117 -209.87168 1078.37359
1565.0000 -222.23351 -211.07637 11.15714 3.04991 -211.74509 1022.18532
1570.0000 -226.13971 -213.66972 12.46999 2.97171 -213.35030 994.18887
1575.0000 -226.87447 -214.56315 12.31132 2.96182 -213.55319 985.60496
1580.0000 -225.57597 -213.68474 11.89123 2.88887 -215.05067 945.78824
1585.0000 -224.79215 -213.87183 10.92032 3.00593 -212.64771 1002.40732
1590.0000 -225.38805 -214.35640 11.03165 2.90924 -214.63256 960.88623
1595.0000 -225.92820 -211.70739 14.22081 2.98031 -213.17374 1020.61821
1600.0000 -226.46642 -213.14724 13.31918 3.01399 -212.48236 1022.71251
1605.0000 -225.00282 -213.62681 11.37602 2.95254 -213.74370 1000.38442
1610.0000 -225.37484 -212.79873 12.57611 2.96156 -213.55860 969.63594
1615.0000 -224.74111 -212.90095 11.84016 3.02670 -212.22138 1037.81118
1620.0000 -223.67604 -211.73064 11.94540 2.96615 -213.46437 985.16299
1625.0000 -223.74608 -213.69904 10.04704 3.09078 -210.90610 1049.58791
1630.0000 -226.38616 -213.00798 13.37818 2.93096 -214.18673 970.86705
1635.0000 -225.34677 -212.82638 12.52039 3.01681 -212.42435 1022.93459
1640.0000 -226.27957 -213.37147 12.90810 3.04752 -211.79406 1039.02202
1645.0000 -225.70438 -214.13426 11.57011 2.94975 -213.80106 966.66008
1650.0000 -224.66301 -213.81172 10.85129 2.91353 -214.54438 948.49408
1655.0000 -224.42231 -212.50773 11.91458 3.02319 -212.29354 1046.91152
1660.0000 -224.31595 -210.43850 13.87744 3.02778 -212.19933 1032.31865
1665.0000 -225.57669 -214.46474 11.11196 3.11109 -210.48916 1088.28164
1670.0000 -223.24048 -212.16245 11.07804 2.96298 -213.52944 958.40256
1675.0000 -226.84214 -215.13849 11.70365 2.92118 -214.38738 949.90440
1680.0000 -224.25454 -212.87714 11.37740 2.95371 -213.71960 992.65405
1685.0000 -222.00787 -209.43610 12.57178 3.09666 -210.78535 1079.94632
1690.0000 -222.38630 -208.72474 13.66156 3.18592 -208.95310 1141.21103
1695.0000 -226.43444 -211.49707 14.93738 3.13274 -210.04479 1075.93653
1700.0000 -224.82100 -211.57453 13.24647 3.01847 -212.39045 1042.46299
1705.0000 -224.58448 -210.88496 13.69951 3.09379 -210.84434 1088.56162
1710.0000 -224.15676 -212.54318 11.61358 3.10832 -210.54601 1057.28261
1715.0000 -224.50108 -213.73107 10.77001 2.93164 -214.17275 993.81693
1720.0000 -225.45983 -214.15159 11.30824 2.86305 -215.58056 924.60445
1725.0000 -225.35389 -213.48386 11.87003 2.99954 -212.77890 1014.03387
1730.0000 -224.64442 -212.28791 12.35650 3.01635 -212.43397 1025.12518
1735.0000 -226.38790 -212.54534 13.84256 3.10274 -210.66063 1041.88750
1740.0000 -224.80013 -212.82340 11.97672 3.03744 -212.00092 1043.66052
1745.0000 -225.78364 -214.53466 11.24898 2.94642 -213.86937 983.13199
1750.0000 -225.71238 -213.68758 12.02480 2.95611 -213.67050 962.03603
FREEZING PROCESS: loop number 8 T-loop= 1005.0000000000000
main_MD> interactions number 8 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.07332 7.04974 2.04662
force_rgl> df(natom) -1.74503 0.41611 3.93053
1755.0000 -224.12326 -212.32642 11.79684 2.99207 -212.93218 1005.81549
1760.0000 -224.76103 -215.00762 9.75341 2.97345 -213.31438 1005.17752
1765.0000 -228.42330 -215.03227 13.39103 2.89495 -214.92583 943.51446
1770.0000 -223.83562 -212.41945 11.41617 2.96712 -213.44445 988.38370
1775.0000 -226.96015 -214.84676 12.11340 2.92271 -214.35610 971.95701
1780.0000 -225.51324 -213.47117 12.04208 2.94949 -213.80638 974.43647
1785.0000 -225.01796 -211.96524 13.05272 2.99324 -212.90823 1015.09370
1790.0000 -225.15027 -210.73901 14.41126 3.02888 -212.17678 1050.51951
1795.0000 -223.28681 -211.46343 11.82338 3.02938 -212.16634 1072.19251
1800.0000 -224.45464 -211.44562 13.00901 2.98601 -213.05673 1021.51902
1805.0000 -227.00731 -214.38993 12.61738 2.98386 -213.10079 1021.71009
1810.0000 -224.91864 -212.64159 12.27705 3.00666 -212.63285 1018.91212
1815.0000 -226.04596 -213.50725 12.53871 2.97335 -213.31654 954.32056
1820.0000 -225.55206 -212.74773 12.80433 2.96395 -213.50950 1007.13837
1825.0000 -225.04255 -212.68583 12.35671 2.96695 -213.44791 1018.11808
1830.0000 -223.55070 -211.80685 11.74385 3.00239 -212.72036 1019.44152
1835.0000 -223.17239 -209.89004 13.28234 3.06871 -211.35906 1045.80325
1840.0000 -225.01800 -212.06555 12.95245 3.13735 -209.95018 1088.08771
1845.0000 -225.02259 -213.14543 11.87716 2.97209 -213.34234 982.33176
1850.0000 -226.65185 -214.84738 11.80448 2.90739 -214.67055 958.91379
1855.0000 -223.21201 -212.51079 10.70122 2.98225 -213.13391 996.29271
1860.0000 -226.19579 -213.01662 13.17916 2.96945 -213.39657 989.43611
1865.0000 -226.39000 -215.45857 10.93143 2.91133 -214.58971 967.58505
1870.0000 -226.82473 -215.78677 11.03796 2.86976 -215.44288 934.81472
1875.0000 -227.17337 -215.55925 11.61412 2.94654 -213.86696 970.29707
1880.0000 -227.61416 -216.69205 10.92211 2.85067 -215.83472 922.25114
1885.0000 -226.11649 -215.27717 10.83932 2.88488 -215.13257 904.91618
1890.0000 -227.06020 -215.63015 11.43005 2.88126 -215.20679 937.03771
1895.0000 -228.23085 -218.41238 9.81847 2.82592 -216.34274 909.84808
1900.0000 -224.53806 -213.25704 11.28101 2.82295 -216.40387 927.87853
1905.0000 -224.52465 -212.48411 12.04054 2.98808 -213.01417 1021.79184
1910.0000 -225.23262 -212.84503 12.38759 2.97097 -213.36530 991.41059
1915.0000 -224.60271 -212.29663 12.30608 3.06818 -211.37004 1050.81271
1920.0000 -222.69382 -210.50690 12.18692 3.08102 -211.10636 1058.64624
1925.0000 -222.57548 -211.28969 11.28579 3.15557 -209.57616 1090.89819
1930.0000 -226.40637 -214.37633 12.03004 2.99270 -212.91936 996.95461
1935.0000 -225.73139 -213.13663 12.59477 2.95798 -213.63196 976.73271
1940.0000 -225.62917 -214.76995 10.85921 2.94465 -213.90564 980.81232
1945.0000 -226.26234 -214.86149 11.40085 2.90221 -214.77678 956.96372
1950.0000 -223.79017 -212.06754 11.72263 2.99121 -212.94996 1003.28910
1955.0000 -225.43764 -212.60201 12.83563 3.03728 -212.00416 1000.07137
1960.0000 -225.10725 -213.20940 11.89785 3.01764 -212.40751 1019.52279
1965.0000 -225.22263 -213.92788 11.29475 2.97763 -213.22876 999.62878
1970.0000 -225.76486 -212.91637 12.84850 3.03839 -211.98137 1051.30466
1975.0000 -225.38482 -213.76488 11.61994 2.98872 -213.00104 1002.92083
1980.0000 -226.84189 -214.80545 12.03644 2.90850 -214.64763 953.84253
1985.0000 -227.10380 -215.06582 12.03798 2.91587 -214.49640 987.57609
1990.0000 -225.59439 -212.58223 13.01216 3.02473 -212.26177 1032.20292
1995.0000 -226.55787 -213.62885 12.92902 2.95114 -213.77253 1013.34059
2000.0000 -225.44015 -213.54539 11.89475 3.00564 -212.65375 1003.32748
FREEZING PROCESS: loop number 9 T-loop= 980.00000000000000
main_MD> interactions number 9 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.67499 0.20004 1.31620
force_rgl> df(natom) 2.44800 0.35221 0.87677
2005.0000 -226.32548 -213.93510 12.39038 2.89345 -214.95663 938.48026
2010.0000 -225.62433 -214.91735 10.70698 2.90693 -214.67996 950.30167
2015.0000 -226.91535 -215.13232 11.78304 2.88174 -215.19704 925.28876
2020.0000 -226.44474 -213.57711 12.86763 2.89846 -214.85372 954.71874
2025.0000 -224.30125 -210.62840 13.67285 3.00475 -212.67207 1043.61906
2030.0000 -224.38477 -210.93876 13.44602 3.12963 -210.10857 1077.83270
2035.0000 -225.53702 -214.23231 11.30471 2.98150 -213.14924 987.92810
2040.0000 -224.50096 -212.28544 12.21553 2.90532 -214.71300 961.17207
2045.0000 -225.93487 -212.97134 12.96354 2.98498 -213.07781 1002.40381
2050.0000 -225.09567 -212.28542 12.81025 3.03390 -212.07358 1016.15473
2055.0000 -226.51500 -214.35382 12.16118 2.98988 -212.97715 1023.56862
2060.0000 -224.12970 -212.42760 11.70210 3.00284 -212.71111 996.70286
2065.0000 -225.53319 -211.92450 13.60868 2.97123 -213.36004 964.79280
2070.0000 -224.92278 -212.68723 12.23554 2.98257 -213.12730 1009.73216
2075.0000 -224.74048 -213.62338 11.11710 2.98407 -213.09655 993.25158
2080.0000 -227.01461 -214.89227 12.12234 2.93308 -214.14321 988.01087
2085.0000 -224.82232 -212.68023 12.14209 2.95201 -213.75449 1001.85796
2090.0000 -225.71168 -212.41144 13.30023 3.00516 -212.66360 980.82032
2095.0000 -226.10573 -213.92297 12.18276 2.97459 -213.29117 1008.23514
2100.0000 -228.14371 -213.84186 14.30185 2.94656 -213.86636 986.14584
2105.0000 -224.43559 -213.37223 11.06336 2.92449 -214.31953 988.41177
2110.0000 -227.13368 -216.58165 10.55203 2.89196 -214.98716 948.89194
2115.0000 -227.25747 -216.50554 10.75193 2.80624 -216.74687 916.62429
2120.0000 -225.05849 -214.89371 10.16477 2.87206 -215.39575 937.75793
2125.0000 -224.46798 -211.26159 13.20639 2.93441 -214.11592 967.15003
2130.0000 -223.13772 -211.47025 11.66747 3.08576 -211.00913 1063.36098
2135.0000 -225.14361 -212.94676 12.19685 2.98794 -213.01700 996.14255
2140.0000 -226.71021 -215.46641 11.24380 2.91661 -214.48118 937.44375
2145.0000 -226.42184 -216.13197 10.28987 2.80956 -216.67861 872.52831
2150.0000 -224.17044 -211.61278 12.55765 2.92088 -214.39355 947.69058
2155.0000 -225.08411 -214.42947 10.65464 2.96219 -213.54558 967.15841
2160.0000 -227.09647 -215.05694 12.03953 2.93955 -214.01034 973.51469
2165.0000 -226.65264 -215.41053 11.24211 2.90996 -214.61765 959.53343
2170.0000 -226.77242 -215.50087 11.27155 2.90599 -214.69931 956.37614
2175.0000 -225.84522 -214.90580 10.93942 2.85332 -215.78046 921.07806
2180.0000 -226.58071 -215.85304 10.72767 2.91219 -214.57186 949.47848
2185.0000 -223.06093 -212.46262 10.59831 2.89967 -214.82893 940.52016
2190.0000 -226.24268 -213.67653 12.56615 2.97577 -213.26688 995.72239
2195.0000 -223.21883 -212.62782 10.59101 2.94529 -213.89259 965.63773
2200.0000 -223.69802 -213.45278 10.24524 3.01820 -212.39597 979.45125
2205.0000 -224.12772 -212.06167 12.06605 3.01332 -212.49608 979.54141
2210.0000 -226.17073 -214.17435 11.99638 3.00495 -212.66797 980.71117
2215.0000 -224.63881 -211.73348 12.90533 3.04744 -211.79572 1028.71612
2220.0000 -225.07963 -213.20701 11.87262 2.99536 -212.86468 991.51584
2225.0000 -223.70303 -210.35090 13.35213 3.06895 -211.35422 1010.03920
2230.0000 -224.42145 -211.73770 12.68376 3.08904 -210.94172 1083.44367
2235.0000 -225.67762 -214.61099 11.06663 3.04775 -211.78934 1042.70329
2240.0000 -226.81796 -214.22697 12.59099 2.92534 -214.30198 969.71964
2245.0000 -225.67501 -213.45870 12.21630 2.90454 -214.72893 928.86548
2250.0000 -221.88973 -209.39124 12.49848 3.04754 -211.79359 1018.22822
FREEZING PROCESS: loop number 10 T-loop= 955.00000000000000
main_MD> interactions number 10 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36916 -1.94428 2.03104
force_rgl> df(natom) -1.02114 -2.86857 -0.49686
2255.0000 -225.10107 -213.27089 11.83018 3.04701 -211.80455 1006.54529
2260.0000 -224.87044 -213.03382 11.83662 2.94130 -213.97441 972.82368
2265.0000 -226.90678 -213.93006 12.97672 2.95065 -213.78249 963.23005
2270.0000 -223.41598 -210.57279 12.84319 2.97896 -213.20133 1015.43554
2275.0000 -221.79969 -209.71355 12.08613 3.14843 -209.72277 1087.26030
2280.0000 -225.08335 -212.21886 12.86448 3.05740 -211.59116 1026.08049
2285.0000 -226.03995 -212.60990 13.43005 3.03961 -211.95652 1019.15388
2290.0000 -224.63510 -212.24161 12.39349 3.02965 -212.16095 1007.30526
2295.0000 -226.32518 -215.29823 11.02694 2.97932 -213.19393 1024.02944
2300.0000 -224.84831 -214.59856 10.24975 2.91328 -214.54951 978.21678
2305.0000 -227.33680 -214.50178 12.83502 2.93259 -214.15313 961.69517
2310.0000 -227.21796 -216.45826 10.75970 2.90409 -214.73828 938.53878
2315.0000 -226.48969 -215.52453 10.96516 2.87319 -215.37247 915.14122
2320.0000 -228.41178 -215.18368 13.22810 2.89142 -214.99834 950.89921
2325.0000 -226.47728 -212.78552 13.69176 2.95814 -213.62874 994.65592
2330.0000 -224.08767 -211.49438 12.59329 2.97202 -213.34390 976.39975
2335.0000 -225.21879 -213.12410 12.09469 2.95688 -213.65468 1004.58050
2340.0000 -225.58020 -212.56802 13.01218 3.00681 -212.62979 1019.91960
2345.0000 -224.88262 -213.37050 11.51211 2.93105 -214.18482 954.16122
2350.0000 -226.71924 -214.39548 12.32376 2.96631 -213.46102 986.01700
2355.0000 -227.08184 -214.41069 12.67115 2.89118 -215.00333 950.54645
2360.0000 -227.43144 -215.70207 11.72937 2.88679 -215.09327 943.28690
2365.0000 -228.47745 -215.74444 12.73301 2.90898 -214.63783 978.13086
2370.0000 -226.21056 -214.49677 11.71380 2.84038 -216.04600 911.35033
2375.0000 -226.00899 -215.52600 10.48299 2.92287 -214.35280 972.49198
2380.0000 -227.14514 -217.80113 9.34401 2.85687 -215.70760 938.37631
2385.0000 -225.25454 -214.19247 11.06207 2.83118 -216.23480 906.03668
2390.0000 -226.52943 -213.55233 12.97709 2.88764 -215.07589 939.89466
2395.0000 -226.65140 -214.43139 12.22001 2.96790 -213.42835 968.58355
2400.0000 -226.10164 -215.34922 10.75242 2.82588 -216.34355 875.29316
2405.0000 -228.21414 -217.07250 11.14164 2.85669 -215.71118 929.59966
2410.0000 -227.34885 -215.89881 11.45005 2.82804 -216.29930 895.95349
2415.0000 -223.59644 -212.20799 11.38845 2.89370 -214.95156 969.65892
2420.0000 -224.42808 -212.23437 12.19371 3.06886 -211.35601 1044.66661
2425.0000 -226.19526 -213.28999 12.90527 2.96493 -213.48945 975.20501
2430.0000 -225.80327 -213.61301 12.19026 2.96943 -213.39703 971.87510
2435.0000 -226.19363 -214.49905 11.69458 2.89870 -214.84885 934.57745
2440.0000 -225.86796 -214.92188 10.94608 2.90615 -214.69589 945.99413
2445.0000 -225.48587 -212.97529 12.51058 2.94612 -213.87548 963.57958
2450.0000 -225.63744 -215.02011 10.61733 2.86647 -215.51037 935.89068
2455.0000 -226.51348 -215.04058 11.47289 2.90951 -214.62694 956.10976
2460.0000 -227.22426 -215.25063 11.97363 2.87146 -215.40792 923.52061
2465.0000 -227.25130 -215.67568 11.57562 2.87478 -215.33987 938.40463
2470.0000 -225.63862 -214.22364 11.41499 2.93986 -214.00394 945.57100
2475.0000 -227.05790 -214.38029 12.67761 2.92390 -214.33166 974.55954
2480.0000 -226.82608 -215.75640 11.06967 2.91841 -214.44418 971.98962
2485.0000 -227.54844 -215.52144 12.02700 2.85685 -215.70788 962.01892
2490.0000 -225.86644 -215.67627 10.19016 2.85360 -215.77469 891.20490
2495.0000 -226.13524 -214.67264 11.46259 2.91715 -214.47009 943.19677
2500.0000 -226.13655 -213.05559 13.08096 2.92585 -214.29166 974.10992
FREEZING PROCESS: loop number 11 T-loop= 930.00000000000000
main_MD> interactions number 11 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46097 -0.65666 0.31378
force_rgl> df(natom) 0.43266 2.48984 0.75784
2505.0000 -224.92075 -213.31262 11.60813 2.93170 -214.17143 959.12996
2510.0000 -225.42119 -214.20434 11.21685 2.94712 -213.85492 969.28704
2515.0000 -226.55564 -215.94775 10.60789 2.89316 -214.96250 937.06710
2520.0000 -226.81364 -215.81363 11.00002 2.87966 -215.23978 922.43290
2525.0000 -226.96375 -216.75618 10.20757 2.80876 -216.69496 878.36451
2530.0000 -228.04680 -218.03207 10.01474 2.79802 -216.91553 896.81101
2535.0000 -227.48213 -217.76336 9.71877 2.74688 -217.96517 837.88893
2540.0000 -228.58562 -218.46089 10.12472 2.79977 -216.87961 907.98248
2545.0000 -228.79922 -219.56418 9.23504 2.72351 -218.44502 839.96992
2550.0000 -228.64784 -216.83180 11.81604 2.70169 -218.89285 833.26482
2555.0000 -225.48181 -213.52621 11.95560 2.89936 -214.83527 951.83709
2560.0000 -228.01248 -216.77509 11.23738 2.87276 -215.38136 915.44238
2565.0000 -226.73017 -215.06889 11.66128 2.78531 -217.17644 847.94313
2570.0000 -225.70062 -215.28788 10.41274 2.92403 -214.32895 938.86582
2575.0000 -225.68338 -214.95802 10.72536 2.92966 -214.21344 960.41265
2580.0000 -228.45124 -215.76545 12.68579 2.83222 -216.21354 917.49028
2585.0000 -225.85115 -213.11497 12.73617 2.84413 -215.96900 895.33731
2590.0000 -225.79536 -215.14007 10.65529 2.89970 -214.82829 939.41323
2595.0000 -228.26971 -215.77081 12.49890 2.89642 -214.89573 923.09652
2600.0000 -227.18931 -214.92644 12.26286 2.85293 -215.78828 932.52733
2605.0000 -225.20991 -213.52275 11.68716 2.89176 -214.99137 933.39195
2610.0000 -226.19951 -213.50440 12.69511 2.98198 -213.13936 1019.54912
2615.0000 -226.93202 -214.38940 12.54263 2.91492 -214.51592 973.51122
2620.0000 -227.54230 -216.39083 11.15147 2.87856 -215.26219 941.53623
2625.0000 -228.28345 -217.54730 10.73615 2.77346 -217.41968 874.93630
2630.0000 -229.95818 -218.93248 11.02569 2.71297 -218.66129 850.30917
2635.0000 -226.82214 -216.19339 10.62875 2.68823 -219.16924 829.85885
2640.0000 -228.02743 -217.43730 10.59013 2.75627 -217.77261 888.97999
2645.0000 -226.26001 -216.24066 10.01936 2.82301 -216.40264 929.50521
2650.0000 -225.03472 -213.67974 11.35497 2.92746 -214.25853 962.91792
2655.0000 -223.21856 -213.49263 9.72592 2.97268 -213.33033 1005.95319
2660.0000 -225.48238 -214.12544 11.35693 2.93176 -214.17030 968.13208
2665.0000 -226.97523 -214.91360 12.06163 2.92461 -214.31704 972.05802
2670.0000 -226.77990 -215.61110 11.16880 2.85632 -215.71873 938.95422
2675.0000 -224.50718 -213.24729 11.25988 2.93422 -214.11983 945.53550
2680.0000 -227.64796 -214.16703 13.48093 2.92631 -214.28203 969.88790
2685.0000 -223.93114 -213.12309 10.80805 2.99664 -212.83839 1018.11425
2690.0000 -224.85773 -213.77935 11.07838 2.95109 -213.77346 962.49030
2695.0000 -223.22410 -212.13117 11.09292 3.02587 -212.23844 1027.69228
2700.0000 -225.27942 -215.22513 10.05429 2.94790 -213.83897 956.46566
2705.0000 -225.43006 -214.85546 10.57460 2.92686 -214.27089 971.38229
2710.0000 -227.33167 -215.80709 11.52458 2.89339 -214.95793 943.62085
2715.0000 -225.29417 -214.14337 11.15080 2.85953 -215.65289 904.05333
2720.0000 -227.41658 -217.56413 9.85245 2.84019 -216.04986 905.65590
2725.0000 -226.60922 -215.14369 11.46553 2.85147 -215.81837 917.02158
2730.0000 -229.10864 -217.11160 11.99704 2.81315 -216.60486 886.34337
2735.0000 -226.79525 -216.42412 10.37113 2.85776 -215.68918 930.77888
2740.0000 -226.55153 -213.73243 12.81909 2.91367 -214.54158 943.21862
2745.0000 -226.06431 -214.63546 11.42885 2.91227 -214.57032 946.25946
2750.0000 -226.26224 -215.76363 10.49860 2.88437 -215.14292 927.93682
FREEZING PROCESS: loop number 12 T-loop= 905.00000000000000
main_MD> interactions number 12 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.24525 1.12761 0.35141
force_rgl> df(natom) -0.63209 -1.20420 1.65849
2755.0000 -222.98315 -212.97180 10.01136 2.90804 -214.65719 961.85764
2760.0000 -225.82349 -214.86095 10.96254 2.94170 -213.96631 971.23354
2765.0000 -228.92269 -217.89441 11.02828 2.82305 -216.40168 906.51163
2770.0000 -228.62914 -217.10444 11.52470 2.79009 -217.07824 890.99482
2775.0000 -229.17725 -215.16928 14.00797 2.80683 -216.73457 903.61500
2780.0000 -225.43198 -215.55959 9.87239 2.83275 -216.20264 909.09243
2785.0000 -230.12268 -219.04782 11.07485 2.81541 -216.55846 911.18251
2790.0000 -226.62083 -216.17389 10.44695 2.74922 -217.91714 864.43220
2795.0000 -227.54950 -217.70488 9.84462 2.76432 -217.60723 855.91781
2800.0000 -226.69205 -217.20581 9.48624 2.77234 -217.44254 855.93841
2805.0000 -229.34580 -219.74809 9.59771 2.72174 -218.48139 840.53040
2810.0000 -228.79165 -219.07629 9.71536 2.69725 -218.98390 809.63830
2815.0000 -229.27463 -216.60438 12.67025 2.76853 -217.52088 874.82264
2820.0000 -228.01639 -217.74946 10.26693 2.76856 -217.52030 868.96208
2825.0000 -229.46071 -219.46881 9.99190 2.70587 -218.80714 826.70523
2830.0000 -229.02925 -219.40307 9.62618 2.65502 -219.85092 802.09873
2835.0000 -228.06591 -217.03310 11.03282 2.72443 -218.42605 832.82769
2840.0000 -226.99942 -216.63514 10.36428 2.78942 -217.09195 877.39828
2845.0000 -227.20068 -215.27918 11.92150 2.84839 -215.88165 949.73969
2850.0000 -225.96321 -214.56877 11.39444 2.87769 -215.28012 949.05818
2855.0000 -226.99454 -214.72749 12.26705 2.94695 -213.85852 972.27626
2860.0000 -224.54876 -212.90384 11.64492 2.96295 -213.53004 983.29330
2865.0000 -227.22565 -215.62580 11.59985 2.92294 -214.35137 980.65677
2870.0000 -227.09241 -215.35571 11.73671 2.83985 -216.05694 901.19123
2875.0000 -228.26912 -217.31982 10.94930 2.83462 -216.16415 904.31664
2880.0000 -227.39047 -215.89620 11.49427 2.79599 -216.95713 885.05448
2885.0000 -225.09888 -214.75749 10.34138 2.83507 -216.15499 894.16458
2890.0000 -227.11803 -215.15140 11.96663 2.91447 -214.52514 938.57161
2895.0000 -228.28587 -217.12479 11.16108 2.82274 -216.40805 899.81549
2900.0000 -228.12376 -216.65892 11.46484 2.80839 -216.70266 906.09217
2905.0000 -227.37514 -217.61118 9.76396 2.79439 -216.99012 880.04353
2910.0000 -226.40599 -215.94377 10.46222 2.79604 -216.95609 849.64073
2915.0000 -228.12894 -216.53709 11.59185 2.82622 -216.33658 886.23638
2920.0000 -225.25586 -213.46288 11.79298 2.89165 -214.99352 926.22302
2925.0000 -228.63523 -215.01110 13.62413 2.94768 -213.84338 991.51530
2930.0000 -226.89498 -215.99886 10.89611 2.85845 -215.67501 919.21081
2935.0000 -226.07099 -215.32504 10.74596 2.85835 -215.67722 913.30153
2940.0000 -225.73481 -215.84633 9.88847 2.87483 -215.33876 925.45807
2945.0000 -226.62627 -216.17536 10.45091 2.82416 -216.37889 908.19253
2950.0000 -226.37816 -216.84465 9.53352 2.87482 -215.33906 920.94271
2955.0000 -229.69755 -218.84155 10.85600 2.75628 -217.77231 859.85936
2960.0000 -230.07035 -219.71587 10.35449 2.69128 -219.10648 812.08656
2965.0000 -227.65888 -215.07941 12.57947 2.74196 -218.06623 880.11543
2970.0000 -226.45811 -215.82623 10.63188 2.84627 -215.92514 936.94984
2975.0000 -227.14318 -216.25710 10.88609 2.82300 -216.40282 902.65951
2980.0000 -226.89749 -215.70256 11.19492 2.80168 -216.84035 873.63781
2985.0000 -227.66607 -217.24341 10.42266 2.83377 -216.18172 922.96749
2990.0000 -227.92672 -216.74118 11.18554 2.81748 -216.51601 903.30192
2995.0000 -226.74105 -215.90592 10.83513 2.82776 -216.30496 910.70050
3000.0000 -229.43128 -217.99043 11.44084 2.78575 -217.16734 883.76425
FREEZING PROCESS: loop number 13 T-loop= 880.00000000000000
main_MD> interactions number 13 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.32214 0.87937 -1.19234
force_rgl> df(natom) -2.33913 0.51499 1.50419
3005.0000 -227.85401 -216.71242 11.14158 2.77057 -217.47893 877.61675
3010.0000 -227.58739 -217.96542 9.62197 2.75669 -217.76380 860.96221
3015.0000 -228.42869 -217.92817 10.50053 2.77199 -217.44972 873.77084
3020.0000 -228.51687 -218.28295 10.23392 2.74704 -217.96201 860.96531
3025.0000 -226.57397 -216.59250 9.98147 2.80838 -216.70287 894.72824
3030.0000 -227.33202 -215.96463 11.36739 2.81594 -216.54765 902.84226
3035.0000 -227.17859 -215.96685 11.21174 2.77786 -217.32937 870.05573
3040.0000 -227.18494 -216.19479 10.99015 2.81355 -216.59679 898.28034
3045.0000 -228.23792 -217.99841 10.23951 2.74452 -218.01378 827.88618
3050.0000 -225.47183 -215.74921 9.72262 2.79603 -216.95641 869.98944
3055.0000 -229.34998 -218.09820 11.25178 2.82611 -216.33892 913.53992
3060.0000 -228.95275 -218.72512 10.22764 2.68485 -219.23844 829.58879
3065.0000 -226.51529 -216.60977 9.90553 2.79484 -216.98077 881.75782
3070.0000 -226.47639 -216.33331 10.14308 2.79583 -216.96054 874.71360
3075.0000 -225.67775 -216.72849 8.94926 2.85355 -215.77557 871.74184
3080.0000 -226.64093 -216.90627 9.73466 2.81616 -216.54317 879.06940
3085.0000 -226.33212 -213.75662 12.57550 2.85331 -215.78062 923.01012
3090.0000 -225.84462 -215.20970 10.63492 2.86831 -215.47266 918.81740
3095.0000 -226.91396 -215.09687 11.81709 2.88599 -215.10980 947.84503
3100.0000 -227.33566 -215.53773 11.79792 2.79636 -216.94953 880.42923
3105.0000 -226.66342 -214.87443 11.78899 2.89351 -214.95547 943.00794
3110.0000 -226.29416 -215.23695 11.05721 2.89316 -214.96260 948.56214
3115.0000 -225.32537 -215.79287 9.53250 2.89732 -214.87717 933.12929
3120.0000 -228.72354 -215.78237 12.94117 2.86495 -215.54159 941.12864
3125.0000 -226.76273 -216.14218 10.62054 2.76684 -217.55553 883.63927
3130.0000 -227.26233 -216.90607 10.35625 2.81730 -216.51975 892.80490
3135.0000 -228.21710 -218.23822 9.97889 2.77490 -217.39009 844.60462
3140.0000 -229.08139 -218.97715 10.10424 2.69717 -218.98571 822.01985
3145.0000 -226.89127 -216.77767 10.11360 2.80853 -216.69971 875.17947
3150.0000 -228.18132 -215.73863 12.44269 2.80989 -216.67176 899.21437
3155.0000 -227.99271 -217.28204 10.71067 2.83070 -216.24470 898.52883
3160.0000 -226.20950 -216.82500 9.38450 2.79792 -216.91762 900.07284
3165.0000 -227.85030 -218.10653 9.74377 2.75253 -217.84930 860.07238
3170.0000 -227.81104 -217.83153 9.97951 2.76667 -217.55903 859.54877
3175.0000 -230.19024 -220.25293 9.93731 2.73352 -218.23947 850.63488
3180.0000 -229.32740 -218.61389 10.71351 2.66058 -219.73679 804.53504
3185.0000 -228.67864 -219.88554 8.79310 2.69531 -219.02373 807.43980
3190.0000 -228.85483 -218.69889 10.15594 2.68877 -219.15805 827.06189
3195.0000 -229.38571 -218.55864 10.82707 2.71256 -218.66982 854.54139
3200.0000 -227.82136 -216.98188 10.83948 2.73047 -218.30208 826.72141
3205.0000 -228.13642 -217.15536 10.98106 2.71855 -218.54678 825.55297
3210.0000 -227.26552 -215.99238 11.27315 2.81819 -216.50145 896.25132
3215.0000 -226.58342 -215.29390 11.28952 2.82124 -216.43896 883.90579
3220.0000 -227.74330 -216.08825 11.65505 2.83490 -216.15840 902.68333
3225.0000 -226.45957 -215.33769 11.12188 2.85883 -215.66735 930.12914
3230.0000 -227.89558 -217.29419 10.60139 2.80594 -216.75302 878.83900
3235.0000 -226.55149 -217.01999 9.53151 2.78837 -217.11351 887.07255
3240.0000 -227.66782 -216.43764 11.23018 2.81774 -216.51074 875.49888
3245.0000 -227.29739 -216.78445 10.51294 2.81738 -216.51802 903.59905
3250.0000 -228.39228 -217.71611 10.67617 2.81391 -216.58943 895.89443
FREEZING PROCESS: loop number 14 T-loop= 855.00000000000000
main_MD> interactions number 14 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49400 1.50315 -1.22553
force_rgl> df(natom) 0.82245 2.21289 -0.91953
3255.0000 -229.97680 -219.70730 10.26950 2.73730 -218.16183 851.42825
3260.0000 -229.74455 -222.31949 7.42506 2.58106 -221.36900 748.23156
3265.0000 -227.63606 -216.66708 10.96898 2.64641 -220.02761 793.92031
3270.0000 -227.50580 -217.95982 9.54598 2.73766 -218.15461 850.16851
3275.0000 -227.05781 -216.32614 10.73167 2.81991 -216.46608 874.25335
3280.0000 -228.59542 -217.43176 11.16367 2.79600 -216.95694 876.99844
3285.0000 -228.63588 -218.77511 9.86078 2.74680 -217.96694 837.15893
3290.0000 -229.66158 -218.13549 11.52609 2.74324 -218.04001 850.39030
3295.0000 -231.04545 -220.42585 10.61960 2.66707 -219.60350 808.79010
3300.0000 -229.52981 -221.44359 8.08622 2.61320 -220.70925 790.34532
3305.0000 -228.33854 -217.66889 10.66965 2.62966 -220.37149 786.29950
3310.0000 -229.06904 -217.91568 11.15337 2.72288 -218.45792 852.02862
3315.0000 -228.28982 -219.15000 9.13982 2.71705 -218.57757 832.78163
3320.0000 -226.41051 -216.30811 10.10240 2.75236 -217.85278 865.14181
3325.0000 -229.07953 -219.58600 9.49353 2.73989 -218.10882 837.09996
3330.0000 -230.41044 -219.03525 11.37519 2.68998 -219.13327 813.82940
3335.0000 -230.14452 -219.21831 10.92622 2.68066 -219.32458 842.64122
3340.0000 -228.71875 -217.11541 11.60334 2.72843 -218.34405 862.97706
3345.0000 -227.54221 -216.63757 10.90464 2.78103 -217.26429 885.94278
3350.0000 -228.42234 -218.16366 10.25869 2.73416 -218.22645 842.32353
3355.0000 -228.83552 -217.61046 11.22506 2.74673 -217.96826 871.54618
3360.0000 -227.91122 -217.61402 10.29719 2.75097 -217.88126 874.23247
3365.0000 -227.25861 -217.50051 9.75810 2.79580 -216.96114 878.39172
3370.0000 -227.06868 -217.18572 9.88296 2.77510 -217.38598 840.95506
3375.0000 -228.87017 -218.30226 10.56790 2.75468 -217.80509 855.16195
3380.0000 -228.84514 -217.56928 11.27587 2.73316 -218.24679 850.81044
3385.0000 -229.75204 -218.87783 10.87421 2.70683 -218.78729 825.29201
3390.0000 -229.17075 -218.90042 10.27033 2.66765 -219.59151 795.70105
3395.0000 -227.31248 -218.43238 8.88010 2.68645 -219.20560 819.74966
3400.0000 -228.46698 -217.50585 10.96113 2.74518 -218.00016 851.56021
3405.0000 -228.39458 -218.71543 9.67915 2.76872 -217.51703 870.82652
3410.0000 -229.73433 -219.20117 10.53316 2.70572 -218.81009 845.10206
3415.0000 -230.42075 -220.94286 9.47789 2.65277 -219.89693 823.99353
3420.0000 -231.14221 -220.83443 10.30778 2.65485 -219.85440 800.00118
3425.0000 -230.45098 -220.95178 9.49920 2.59015 -221.18233 746.24918
3430.0000 -229.29134 -218.88332 10.40802 2.67910 -219.35656 824.87763
3435.0000 -227.02999 -216.51169 10.51830 2.73958 -218.11512 877.39687
3440.0000 -227.78691 -217.21793 10.56898 2.74588 -217.98581 863.25278
3445.0000 -227.61004 -216.56227 11.04777 2.79402 -216.99758 891.05853
3450.0000 -228.94798 -218.89075 10.05723 2.72632 -218.38722 830.50181
3455.0000 -227.91538 -217.38151 10.53387 2.75849 -217.72699 871.26654
3460.0000 -226.89106 -215.35252 11.53854 2.81338 -216.60013 908.05712
3465.0000 -228.17715 -216.73710 11.44005 2.80304 -216.81251 885.54009
3470.0000 -227.30415 -216.89085 10.41329 2.76925 -217.50615 860.49544
3475.0000 -228.16379 -218.74026 9.42352 2.75285 -217.84262 869.84143
3480.0000 -228.28282 -218.07589 10.20693 2.73505 -218.20811 873.05725
3485.0000 -228.10118 -218.63058 9.47059 2.76315 -217.63128 884.42924
3490.0000 -225.99831 -213.37378 12.62454 2.87990 -215.23475 950.38643
3495.0000 -226.58006 -215.36361 11.21645 2.92414 -214.32657 972.39697
3500.0000 -226.42458 -215.34759 11.07699 2.90344 -214.75159 944.45141
FREEZING PROCESS: loop number 15 T-loop= 830.00000000000000
main_MD> interactions number 15 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.76751 3.09600 -1.10257
force_rgl> df(natom) -0.82500 -0.67950 -0.13603
3505.0000 -229.66693 -220.59607 9.07086 2.78510 -217.18073 871.67650
3510.0000 -227.34900 -218.56370 8.78530 2.66294 -219.68836 802.99540
3515.0000 -228.88508 -220.34146 8.54363 2.63891 -220.18155 760.92136
3520.0000 -229.11681 -219.26038 9.85643 2.65990 -219.75072 813.10821
3525.0000 -229.57408 -220.33861 9.23546 2.63736 -220.21332 782.42917
3530.0000 -229.79697 -219.81036 9.98661 2.61073 -220.75992 774.70139
3535.0000 -229.73770 -219.26821 10.46949 2.62550 -220.45689 786.97403
3540.0000 -229.05370 -219.91308 9.14062 2.68154 -219.30656 811.24609
3545.0000 -228.95734 -218.60403 10.35331 2.71276 -218.66557 826.82185
3550.0000 -228.64510 -219.85253 8.79257 2.69334 -219.06435 825.16405
3555.0000 -230.51841 -221.16289 9.35552 2.61961 -220.57769 767.46706
3560.0000 -229.95406 -221.63370 8.32036 2.58765 -221.23381 749.76706
3565.0000 -229.27403 -218.68330 10.59073 2.67283 -219.48525 833.00701
3570.0000 -228.09448 -218.66025 9.43424 2.73408 -218.22802 851.04226
3575.0000 -230.09284 -218.62494 11.46790 2.72792 -218.35452 832.99899
3580.0000 -229.22717 -220.32288 8.90429 2.74570 -217.98945 862.07653
3585.0000 -229.93491 -221.41688 8.51803 2.67952 -219.34788 816.03193
3590.0000 -230.64996 -221.97272 8.67724 2.59162 -221.15217 775.21250
3595.0000 -230.17575 -222.40619 7.76956 2.55803 -221.84166 745.38968
3600.0000 -231.82713 -222.92447 8.90266 2.51518 -222.72137 716.57089
3605.0000 -229.12263 -219.84113 9.28150 2.57559 -221.48139 747.00857
3610.0000 -229.95026 -219.60930 10.34096 2.65303 -219.89178 788.89723
3615.0000 -228.23329 -219.21904 9.01425 2.69843 -218.95977 827.19948
3620.0000 -225.28082 -216.58072 8.70010 2.78622 -217.15770 856.59425
3625.0000 -228.67848 -216.79010 11.88838 2.76826 -217.52647 857.77005
3630.0000 -228.76780 -219.24912 9.51868 2.73016 -218.30856 848.74062
3635.0000 -230.26181 -218.92358 11.33823 2.66778 -219.58899 810.02250
3640.0000 -226.57380 -215.73421 10.83959 2.79079 -217.06400 905.16186
3645.0000 -227.15576 -217.63515 9.52060 2.82071 -216.44985 886.90801
3650.0000 -225.59522 -215.19310 10.40212 2.82993 -216.26043 906.10455
3655.0000 -227.50569 -216.59695 10.90873 2.79783 -216.91947 891.24751
3660.0000 -227.57672 -217.66087 9.91585 2.78680 -217.14588 868.66830
3665.0000 -226.78721 -216.56060 10.22661 2.81637 -216.53884 901.30635
3670.0000 -227.38202 -217.04426 10.33776 2.80710 -216.72909 899.78519
3675.0000 -227.82892 -217.60166 10.22726 2.79809 -216.91402 894.08177
3680.0000 -227.11487 -217.50797 9.60690 2.79521 -216.97312 892.10421
3685.0000 -228.86568 -219.44338 9.42230 2.76876 -217.51608 872.82107
3690.0000 -229.50599 -217.54413 11.96185 2.74794 -217.94354 834.03013
3695.0000 -226.89294 -217.13831 9.75463 2.79456 -216.98644 879.44607
3700.0000 -227.37780 -218.71862 8.65918 2.73306 -218.24890 816.72093
3705.0000 -229.35625 -218.84399 10.51225 2.73083 -218.29467 836.75126
3710.0000 -228.61145 -218.15421 10.45723 2.72378 -218.43935 841.79870
3715.0000 -227.74041 -219.46023 8.28018 2.71245 -218.67191 823.13254
3720.0000 -227.87498 -218.04544 9.82954 2.72274 -218.46086 837.23531
3725.0000 -226.94567 -218.08892 8.85674 2.74396 -218.02515 852.94240
3730.0000 -228.97288 -219.12688 9.84600 2.67753 -219.38889 801.66446
3735.0000 -229.19998 -220.22833 8.97165 2.65318 -219.88871 782.24534
3740.0000 -230.33604 -220.01996 10.31608 2.63498 -220.26221 750.77797
3745.0000 -229.41653 -219.56236 9.85416 2.72348 -218.44564 836.93976
3750.0000 -228.85810 -219.09820 9.75990 2.69417 -219.04729 810.39608
FREEZING PROCESS: loop number 16 T-loop= 805.00000000000000
main_MD> interactions number 16 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.05745 -0.83109 0.07122
force_rgl> df(natom) 2.94263 2.02074 0.32511
3755.0000 -231.07010 -220.32970 10.74040 2.68671 -219.20028 812.19778
3760.0000 -228.00809 -219.38989 8.61820 2.65290 -219.89434 785.60042
3765.0000 -230.62592 -220.05669 10.56923 2.68895 -219.15433 822.56729
3770.0000 -230.06726 -220.66734 9.39992 2.64274 -220.10296 800.48348
3775.0000 -228.26002 -217.47305 10.78697 2.71049 -218.71213 826.29091
3780.0000 -229.44511 -219.19408 10.25103 2.71077 -218.70657 811.62191
3785.0000 -231.34288 -221.24266 10.10022 2.60595 -220.85806 775.06495
3790.0000 -229.59126 -219.37674 10.21452 2.62611 -220.44434 803.19116
3795.0000 -230.22809 -219.53917 10.68892 2.64040 -220.15098 789.99042
3800.0000 -229.97769 -218.18073 11.79696 2.70957 -218.73120 830.02981
3805.0000 -229.99701 -219.52097 10.47604 2.72529 -218.40834 829.72683
3810.0000 -229.17610 -219.49653 9.67957 2.68742 -219.18575 817.40584
3815.0000 -229.09696 -219.37571 9.72125 2.69616 -219.00646 825.06486
3820.0000 -227.88688 -218.65587 9.23101 2.70212 -218.88402 821.36317
3825.0000 -228.48399 -219.14387 9.34012 2.70774 -218.76872 835.45226
3830.0000 -229.34351 -218.98733 10.35618 2.71823 -218.55329 849.35469
3835.0000 -229.41006 -220.13472 9.27535 2.69006 -219.13159 835.31837
3840.0000 -229.72424 -220.47102 9.25322 2.60201 -220.93895 783.12834
3845.0000 -230.37401 -220.50820 9.86581 2.59716 -221.03856 768.94993
3850.0000 -229.77228 -219.17230 10.59997 2.62578 -220.45097 766.66912
3855.0000 -231.51906 -221.18789 10.33117 2.61123 -220.74974 801.72374
3860.0000 -230.40665 -219.83770 10.56895 2.61710 -220.62927 787.98180
3865.0000 -228.57044 -218.76761 9.80283 2.70686 -218.78679 823.78931
3870.0000 -231.30666 -220.99425 10.31241 2.61133 -220.74760 801.96701
3875.0000 -227.48743 -217.72138 9.76606 2.67805 -219.37812 791.54599
3880.0000 -228.15798 -218.58443 9.57355 2.72568 -218.40049 833.13732
3885.0000 -227.88714 -217.58666 10.30048 2.69345 -219.06195 817.87702
3890.0000 -229.16277 -219.94162 9.22115 2.69677 -218.99383 802.41334
3895.0000 -229.02102 -218.65300 10.36802 2.68427 -219.25041 782.66804
3900.0000 -227.10852 -218.20237 8.90615 2.73972 -218.11224 857.47794
3905.0000 -227.50351 -218.34208 9.16143 2.77021 -217.48639 874.71205
3910.0000 -229.70947 -219.96353 9.74594 2.70646 -218.79498 816.02135
3915.0000 -230.11733 -219.12810 10.98923 2.70837 -218.75566 856.39321
3920.0000 -229.12850 -219.39310 9.73540 2.72741 -218.36491 850.30553
3925.0000 -227.89388 -219.24032 8.65356 2.69818 -218.96486 817.40051
3930.0000 -228.20574 -219.19564 9.01010 2.66560 -219.63373 787.58165
3935.0000 -230.17419 -220.28955 9.88464 2.65026 -219.94862 776.89264
3940.0000 -228.35726 -219.79530 8.56196 2.63282 -220.30651 773.92264
3945.0000 -228.31616 -218.39863 9.91753 2.71661 -218.58664 823.87130
3950.0000 -228.72848 -219.82322 8.90526 2.66614 -219.62255 794.12388
3955.0000 -228.24078 -217.44985 10.79093 2.72673 -218.37877 840.76296
3960.0000 -228.58538 -219.97021 8.61518 2.73449 -218.21954 838.50307
3965.0000 -231.05166 -221.41318 9.63848 2.61078 -220.75903 774.68462
3970.0000 -229.70546 -219.73698 9.96849 2.62782 -220.40917 784.75646
3975.0000 -230.98118 -219.82571 11.15547 2.68804 -219.17295 799.09544
3980.0000 -230.20353 -220.66390 9.53962 2.66061 -219.73604 812.71674
3985.0000 -229.47537 -221.57902 7.89635 2.59427 -221.09778 762.92495
3990.0000 -230.56981 -219.27402 11.29578 2.63228 -220.31758 770.20621
3995.0000 -230.73851 -221.15400 9.58450 2.63273 -220.30830 808.76483
4000.0000 -227.75631 -217.53305 10.22326 2.70270 -218.87216 797.39861
FREEZING PROCESS: loop number 17 T-loop= 780.00000000000000
main_MD> interactions number 17 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53442 1.03877 -0.23910
force_rgl> df(natom) -0.16851 2.62537 2.74466
4005.0000 -230.20776 -219.66253 10.54524 2.68411 -219.25363 826.99487
4010.0000 -230.25036 -220.99569 9.25467 2.65924 -219.76417 808.47578
4015.0000 -230.09846 -221.08445 9.01401 2.58780 -221.23072 777.63896
4020.0000 -232.90476 -225.16734 7.73742 2.50306 -222.97014 726.65105
4025.0000 -231.68881 -223.64446 8.04435 2.43075 -224.45443 675.52598
4030.0000 -231.11156 -224.09692 7.01464 2.46355 -223.78102 667.78061
4035.0000 -231.24303 -222.48328 8.75975 2.51013 -222.82505 700.10904
4040.0000 -230.39093 -220.73266 9.65827 2.55487 -221.90666 759.00500
4045.0000 -230.27090 -219.60043 10.67047 2.64139 -220.13059 792.76494
4050.0000 -229.19348 -219.79109 9.40238 2.62969 -220.37074 795.45057
4055.0000 -230.52699 -219.39118 11.13582 2.66297 -219.68758 795.26259
4060.0000 -230.13924 -220.42561 9.71363 2.65502 -219.85075 812.05778
4065.0000 -230.04476 -220.96833 9.07643 2.60276 -220.92353 785.21466
4070.0000 -231.41731 -221.25435 10.16296 2.57113 -221.57285 743.63277
4075.0000 -229.54737 -220.13514 9.41224 2.59414 -221.10054 763.89060
4080.0000 -229.11924 -219.48073 9.63851 2.68662 -219.20217 827.97751
4085.0000 -228.79072 -219.34010 9.45062 2.63090 -220.34602 781.34118
4090.0000 -228.14172 -217.76158 10.38014 2.73466 -218.21603 853.42128
4095.0000 -228.38010 -218.22364 10.15647 2.76177 -217.65956 885.53790
4100.0000 -228.89410 -220.10238 8.79171 2.64550 -220.04634 787.89044
4105.0000 -229.00918 -218.67254 10.33664 2.68091 -219.31939 797.49684
4110.0000 -228.13440 -217.00594 11.12846 2.77742 -217.33845 844.21677
4115.0000 -230.53741 -221.30147 9.23595 2.66499 -219.64613 806.92019
4120.0000 -231.24953 -222.65910 8.59043 2.54563 -222.09627 743.87446
4125.0000 -232.80571 -224.44465 8.36106 2.49425 -223.15087 713.71039
4130.0000 -231.68455 -222.97510 8.70944 2.46897 -223.66990 710.52815
4135.0000 -231.07613 -221.29244 9.78369 2.57523 -221.48861 780.90018
4140.0000 -231.05345 -221.88999 9.16345 2.54898 -222.02761 738.03940
4145.0000 -230.79921 -221.61683 9.18238 2.62435 -220.48046 789.16078
4150.0000 -229.46805 -219.76342 9.70462 2.62367 -220.49437 777.28878
4155.0000 -229.93259 -220.76552 9.16708 2.66434 -219.65955 798.57413
4160.0000 -230.39937 -221.89022 8.50916 2.56178 -221.76477 738.22015
4165.0000 -229.77117 -220.12932 9.64184 2.59230 -221.13838 754.99704
4170.0000 -229.49048 -221.00623 8.48425 2.60119 -220.95583 771.73905
4175.0000 -230.11995 -221.10971 9.01024 2.64294 -220.09882 793.10848
4180.0000 -231.42702 -222.40616 9.02086 2.60398 -220.89854 766.74804
4185.0000 -232.15773 -222.74985 9.40788 2.53127 -222.39096 730.58962
4190.0000 -231.11866 -221.52677 9.59189 2.58949 -221.19603 762.71482
4195.0000 -228.24993 -219.46593 8.78400 2.63095 -220.34492 793.19521
4200.0000 -230.96168 -222.42246 8.53922 2.57328 -221.52863 741.01592
4205.0000 -228.62723 -219.46449 9.16274 2.63606 -220.23994 788.14059
4210.0000 -229.80968 -219.91249 9.89720 2.66221 -219.70332 792.70123
4215.0000 -231.17846 -222.08344 9.09501 2.60071 -220.96566 772.09643
4220.0000 -230.56316 -221.15356 9.40959 2.60589 -220.85928 773.68763
4225.0000 -230.68335 -222.49534 8.18801 2.53975 -222.21693 731.98532
4230.0000 -230.46134 -221.60421 8.85714 2.55554 -221.89276 753.82225
4235.0000 -230.23839 -220.77981 9.45858 2.56014 -221.79842 770.74655
4240.0000 -229.96819 -220.46675 9.50144 2.59344 -221.11484 772.82243
4245.0000 -230.33680 -221.27424 9.06256 2.63357 -220.29123 796.43519
4250.0000 -229.37178 -220.23021 9.14158 2.61167 -220.74063 777.82700
FREEZING PROCESS: loop number 18 T-loop= 755.00000000000000
main_MD> interactions number 18 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.13289 1.89849 -0.34871
force_rgl> df(natom) -0.57485 3.17358 2.80736
4255.0000 -228.28012 -219.50355 8.77658 2.67901 -219.35848 812.58611
4260.0000 -231.91899 -221.56057 10.35843 2.63234 -220.31644 800.07848
4265.0000 -230.32784 -222.36556 7.96229 2.57510 -221.49128 766.34972
4270.0000 -231.60586 -222.88846 8.71740 2.51291 -222.76796 699.32616
4275.0000 -231.98311 -223.06162 8.92149 2.54464 -222.11660 753.23130
4280.0000 -232.60469 -224.42283 8.18186 2.43466 -224.37408 671.99611
4285.0000 -231.57905 -221.90976 9.66929 2.49211 -223.19497 730.90432
4290.0000 -229.54497 -220.84735 8.69762 2.61187 -220.73664 774.50654
4295.0000 -230.92809 -223.10594 7.82216 2.57603 -221.47218 753.48255
4300.0000 -229.85513 -220.06734 9.78779 2.53193 -222.37759 717.42869
4305.0000 -228.95577 -220.04884 8.90694 2.65350 -219.88201 782.12561
4310.0000 -231.15592 -220.93651 10.21941 2.61189 -220.73617 763.24348
4315.0000 -230.29115 -221.25919 9.03196 2.60251 -220.92876 776.33938
4320.0000 -230.67276 -221.62635 9.04641 2.55117 -221.98254 747.27280
4325.0000 -229.57114 -221.04553 8.52561 2.56396 -221.71994 760.31886
4330.0000 -231.53410 -222.25320 9.28090 2.58701 -221.24683 746.21671
4335.0000 -231.01239 -222.51041 8.50198 2.59373 -221.10889 767.19689
4340.0000 -230.55414 -219.28621 11.26793 2.58824 -221.22165 739.92668
4345.0000 -231.72047 -221.37751 10.34296 2.58805 -221.22558 757.79739
4350.0000 -230.62392 -221.31279 9.31113 2.58191 -221.35158 746.89850
4355.0000 -230.52712 -220.91060 9.61652 2.59039 -221.17743 755.94255
4360.0000 -231.20096 -220.85815 10.34281 2.60411 -220.89584 771.67524
4365.0000 -229.63779 -219.27894 10.35884 2.64943 -219.96557 791.17519
4370.0000 -229.83723 -219.03082 10.80641 2.68672 -219.20014 816.17922
4375.0000 -229.20494 -219.07701 10.12793 2.69483 -219.03374 832.93962
4380.0000 -229.71144 -220.28734 9.42411 2.67435 -219.45398 819.21589
4385.0000 -230.65714 -221.65896 8.99818 2.59314 -221.12108 784.00526
4390.0000 -228.23829 -219.27986 8.95842 2.64456 -220.06552 796.44419
4395.0000 -229.51817 -219.39321 10.12496 2.65672 -219.81589 802.93949
4400.0000 -230.33301 -220.27645 10.05656 2.67471 -219.44661 823.98087
4405.0000 -230.67206 -221.17371 9.49835 2.63338 -220.29515 790.36415
4410.0000 -229.81780 -221.52655 8.29125 2.59419 -221.09948 756.66578
4415.0000 -230.71373 -221.63491 9.07883 2.60329 -220.91279 777.92735
4420.0000 -230.58575 -221.88130 8.70445 2.58155 -221.35896 734.27101
4425.0000 -230.02556 -220.39378 9.63178 2.59602 -221.06193 775.41798
4430.0000 -228.83252 -219.86240 8.97012 2.63565 -220.24840 785.19448
4435.0000 -230.75761 -220.76852 9.98909 2.63682 -220.22445 783.46368
4440.0000 -229.71363 -220.21945 9.49418 2.57631 -221.46651 766.21212
4445.0000 -231.01259 -221.55549 9.45711 2.58539 -221.28008 740.20354
4450.0000 -231.85173 -221.71369 10.13805 2.52884 -222.44097 699.51849
4455.0000 -231.68120 -224.04466 7.63654 2.52717 -222.47521 715.49584
4460.0000 -232.81475 -224.02146 8.79329 2.46575 -223.73603 703.11284
4465.0000 -230.01831 -222.41469 7.60362 2.44973 -224.06475 684.96364
4470.0000 -232.90763 -222.87186 10.03577 2.49242 -223.18860 714.63033
4475.0000 -231.01314 -221.56919 9.44394 2.55669 -221.86923 740.03192
4480.0000 -229.49837 -221.12344 8.37494 2.59217 -221.14101 742.90065
4485.0000 -229.52003 -219.95776 9.56227 2.64057 -220.14755 774.20045
4490.0000 -227.89104 -219.01370 8.87734 2.69228 -219.08597 830.82722
4495.0000 -229.08224 -219.96044 9.12181 2.70602 -218.80397 826.66124
4500.0000 -229.88719 -221.55407 8.33312 2.64054 -220.14809 783.06085
FREEZING PROCESS: loop number 19 T-loop= 730.00000000000000
main_MD> interactions number 19 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79622 -1.85537 -0.71030
force_rgl> df(natom) -2.33798 -0.24647 -0.72718
4505.0000 -230.29943 -222.19250 8.10692 2.56381 -221.72303 719.95935
4510.0000 -230.50502 -222.66709 7.83793 2.49770 -223.08004 681.42530
4515.0000 -230.79333 -222.69610 8.09724 2.52123 -222.59713 712.23967
4520.0000 -230.67279 -222.06667 8.60612 2.54389 -222.13205 730.42238
4525.0000 -231.58003 -223.08852 8.49151 2.49513 -223.13285 713.30525
4530.0000 -231.04476 -222.23670 8.80806 2.49403 -223.15539 692.03400
4535.0000 -230.02261 -221.75767 8.26494 2.53878 -222.23683 725.74649
4540.0000 -229.93697 -220.95492 8.98205 2.55999 -221.80151 726.74253
4545.0000 -230.36672 -220.01970 10.34702 2.65789 -219.79184 800.82629
4550.0000 -231.09331 -221.91873 9.17459 2.61313 -220.71075 768.43934
4555.0000 -231.84757 -222.53366 9.31391 2.56598 -221.67855 740.06397
4560.0000 -232.77650 -225.32288 7.45363 2.47160 -223.61594 694.67096
4565.0000 -231.22114 -223.19271 8.02843 2.45249 -224.00804 672.70353
4570.0000 -230.58981 -221.59025 8.99955 2.53628 -222.28817 708.27033
4575.0000 -229.86513 -220.78857 9.07656 2.58784 -221.22978 775.50068
4580.0000 -230.49610 -222.22254 8.27355 2.57636 -221.46554 756.20249
4585.0000 -231.15005 -223.17336 7.97670 2.53690 -222.27541 735.15994
4590.0000 -232.85922 -223.74630 9.11292 2.48238 -223.39454 701.72309
4595.0000 -231.22565 -222.21551 9.01014 2.47934 -223.45698 717.47170
4600.0000 -230.47322 -222.25429 8.21893 2.50658 -222.89794 720.47067
4605.0000 -231.51402 -222.83070 8.68332 2.51229 -222.78071 705.68954
4610.0000 -232.03028 -222.71299 9.31729 2.51883 -222.64637 706.95286
4615.0000 -231.07188 -222.27514 8.79674 2.52325 -222.55562 730.60079
4620.0000 -232.19085 -223.50010 8.69074 2.49374 -223.16139 716.72481
4625.0000 -230.79801 -221.83752 8.96049 2.48731 -223.29347 701.57633
4630.0000 -231.23051 -222.34895 8.88157 2.56150 -221.77051 733.06228
4635.0000 -230.89191 -222.63990 8.25201 2.51802 -222.66303 728.16860
4640.0000 -231.56913 -221.30528 10.26385 2.51506 -222.72380 724.55839
4645.0000 -230.09304 -220.96102 9.13202 2.62385 -220.49071 767.83675
4650.0000 -230.46366 -221.90646 8.55720 2.56676 -221.66255 737.07731
4655.0000 -230.74284 -223.10455 7.63829 2.53248 -222.36615 709.36573
4660.0000 -230.97932 -221.56134 9.41798 2.49070 -223.22389 692.46090
4665.0000 -228.83944 -219.88796 8.95147 2.56366 -221.72623 743.13162
4670.0000 -230.84637 -221.98728 8.85909 2.61537 -220.66476 784.70715
4675.0000 -230.88174 -222.74569 8.13605 2.53664 -222.28083 725.97349
4680.0000 -229.10475 -221.26268 7.84207 2.55545 -221.89470 763.90219
4685.0000 -229.81289 -222.10759 7.70529 2.58022 -221.38625 752.17391
4690.0000 -230.29274 -222.14599 8.14675 2.54176 -222.17576 741.72599
4695.0000 -231.18460 -223.07712 8.10748 2.52168 -222.58787 713.22059
4700.0000 -231.51181 -221.76125 9.75057 2.52254 -222.57014 733.96095
4705.0000 -230.03266 -221.58341 8.44925 2.57616 -221.46964 752.14487
4710.0000 -230.24203 -221.29301 8.94902 2.61562 -220.65963 771.63185
4715.0000 -230.65853 -220.94906 9.70947 2.57507 -221.49198 752.03012
4720.0000 -229.82102 -221.43551 8.38552 2.56207 -221.75877 735.02056
4725.0000 -229.24937 -220.59240 8.65697 2.54737 -222.06065 734.84985
4730.0000 -231.50183 -222.83747 8.66435 2.57296 -221.53525 757.97200
4735.0000 -231.16606 -221.92536 9.24070 2.55621 -221.87908 757.00004
4740.0000 -229.75053 -220.75655 8.99399 2.52056 -222.61082 718.93148
4745.0000 -231.29787 -223.19161 8.10626 2.55241 -221.95714 725.54430
4750.0000 -232.35088 -224.46690 7.88398 2.44825 -224.09517 668.98481
FREEZING PROCESS: loop number 20 T-loop= 705.00000000000000
main_MD> interactions number 20 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.38878 0.92549 -9.81365
force_rgl> df(natom) 0.55598 -1.30891 1.60798
4755.0000 -231.36424 -223.36044 8.00380 2.44739 -224.11290 681.00955
4760.0000 -231.52935 -222.86427 8.66507 2.49687 -223.09720 700.62476
4765.0000 -231.24946 -222.30454 8.94492 2.49260 -223.18481 702.82727
4770.0000 -231.26528 -222.25935 9.00593 2.54965 -222.01384 740.94044
4775.0000 -230.07303 -223.11281 6.96022 2.53089 -222.39885 719.99304
4780.0000 -232.07375 -223.69219 8.38156 2.50212 -222.98943 707.08921
4785.0000 -230.84034 -223.01503 7.82531 2.51996 -222.62323 714.17413
4790.0000 -232.91593 -223.23195 9.68398 2.49180 -223.20133 694.16726
4795.0000 -231.54179 -222.15567 9.38612 2.54054 -222.20073 762.83750
4800.0000 -232.69493 -223.07559 9.61934 2.48327 -223.37631 711.35496
4805.0000 -231.21027 -224.13387 7.07640 2.45185 -224.02126 677.19819
4810.0000 -231.13296 -222.62278 8.51018 2.51096 -222.80802 719.35576
4815.0000 -231.71551 -223.25723 8.45828 2.48159 -223.41077 695.27643
4820.0000 -230.93448 -222.75439 8.18009 2.49081 -223.22154 714.32722
4825.0000 -232.83077 -224.68240 8.14836 2.45349 -223.98758 669.83075
4830.0000 -232.16792 -223.63248 8.53543 2.44661 -224.12889 662.89311
4835.0000 -230.00926 -222.19896 7.81030 2.52126 -222.59656 731.33093
4840.0000 -232.40473 -223.38671 9.01802 2.55650 -221.87315 754.36538
4845.0000 -233.07178 -224.08838 8.98340 2.45921 -223.87030 685.36281
4850.0000 -231.47871 -222.53004 8.94867 2.52352 -222.55007 722.68841
4855.0000 -231.19536 -223.21438 7.98098 2.49261 -223.18460 690.52482
4860.0000 -232.40033 -223.31277 9.08756 2.48211 -223.40007 687.73072
4865.0000 -230.06004 -221.17086 8.88917 2.56245 -221.75103 752.31416
4870.0000 -232.19407 -222.37332 9.82075 2.53868 -222.23888 749.51728
4875.0000 -232.90361 -224.11471 8.78890 2.42516 -224.56917 664.51016
4880.0000 -233.39816 -225.64399 7.75416 2.41869 -224.70190 669.27627
4885.0000 -232.04937 -222.70950 9.33987 2.46646 -223.72138 700.20294
4890.0000 -232.23472 -222.97352 9.26120 2.49903 -223.05284 719.85682
4895.0000 -230.71994 -222.69202 8.02791 2.50783 -222.87213 713.52763
4900.0000 -232.23957 -223.98854 8.25102 2.46625 -223.72572 670.38125
4905.0000 -233.72782 -224.44298 9.28484 2.45935 -223.86736 683.32601
4910.0000 -232.50221 -223.93171 8.57050 2.44157 -224.23220 675.34508
4915.0000 -232.99197 -224.78398 8.20800 2.47633 -223.51884 723.44750
4920.0000 -233.15743 -224.80623 8.35120 2.44506 -224.16074 699.70946
4925.0000 -231.29000 -223.84207 7.44793 2.43667 -224.33287 678.81508
4930.0000 -233.02069 -224.58441 8.43628 2.45363 -223.98478 679.88184
4935.0000 -231.36141 -222.84700 8.51441 2.45385 -223.98015 691.26839
4940.0000 -230.62504 -222.22728 8.39776 2.53027 -222.41149 727.48769
4945.0000 -230.44497 -222.16226 8.28272 2.54926 -222.02179 733.23552
4950.0000 -231.66104 -223.45280 8.20823 2.54280 -222.15445 734.10426
4955.0000 -232.39103 -223.77036 8.62067 2.47194 -223.60880 700.63438
4960.0000 -233.58952 -225.23372 8.35580 2.41227 -224.83380 654.50354
4965.0000 -232.92122 -223.10892 9.81230 2.44392 -224.18415 666.29427
4970.0000 -231.74764 -222.58771 9.15993 2.50921 -222.84389 710.63832
4975.0000 -232.00412 -224.09133 7.91278 2.53216 -222.37268 703.99665
4980.0000 -231.81211 -222.36283 9.44927 2.50293 -222.97268 690.30026
4985.0000 -232.06180 -223.48227 8.57953 2.51237 -222.77895 721.13668
4990.0000 -231.47591 -222.93042 8.54549 2.49381 -223.16000 699.90688
4995.0000 -231.40616 -222.84604 8.56011 2.47163 -223.61520 687.02708
5000.0000 -232.55186 -224.44458 8.10728 2.46167 -223.81970 690.33462
FREEZING PROCESS: loop number 21 T-loop= 680.00000000000000
main_MD> interactions number 21 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12475 1.07067 -1.00626
force_rgl> df(natom) 0.93402 -2.10218 -0.02954
5005.0000 -234.74379 -226.44585 8.29795 2.36951 -225.71145 643.80212
5010.0000 -234.35801 -226.92510 7.43291 2.32764 -226.57087 608.83450
5015.0000 -233.71502 -225.56744 8.14758 2.31982 -226.73146 617.60307
5020.0000 -234.32626 -225.95361 8.37264 2.37896 -225.51743 649.60864
5025.0000 -232.18765 -224.17096 8.01669 2.41405 -224.79716 660.22986
5030.0000 -231.87923 -224.57824 7.30099 2.47547 -223.53644 726.43901
5035.0000 -232.95853 -224.80462 8.15391 2.46009 -223.85218 705.02874
5040.0000 -233.09941 -223.53354 9.56587 2.42658 -224.54004 669.45652
5045.0000 -233.53481 -225.31261 8.22220 2.42536 -224.56494 654.71272
5050.0000 -231.94146 -223.25676 8.68470 2.43950 -224.27484 658.78668
5055.0000 -231.82595 -221.64645 10.17950 2.51413 -222.74295 703.15585
5060.0000 -234.61372 -226.15787 8.45585 2.47170 -223.61376 706.05895
5065.0000 -233.05491 -225.42268 7.63223 2.36086 -225.88894 635.19473
5070.0000 -233.25051 -224.69334 8.55717 2.41659 -224.74499 675.89901
5075.0000 -234.26466 -226.17188 8.09278 2.37902 -225.51622 660.58770
5080.0000 -233.59034 -224.88074 8.70960 2.38628 -225.36717 686.25194
5085.0000 -232.74613 -225.32520 7.42093 2.37172 -225.66612 650.01736
5090.0000 -234.67328 -226.86644 7.80684 2.32065 -226.71431 598.33126
5095.0000 -233.74017 -226.35995 7.38022 2.33832 -226.35173 607.90571
5100.0000 -233.90567 -225.65935 8.24633 2.36404 -225.82374 623.69529
5105.0000 -231.54063 -223.76163 7.77900 2.44944 -224.07066 673.98135
5110.0000 -231.75641 -223.40248 8.35392 2.48051 -223.43293 706.92995
5115.0000 -232.99427 -224.54101 8.45327 2.48049 -223.43349 698.64392
5120.0000 -231.92836 -224.80026 7.12810 2.41667 -224.74351 659.63326
5125.0000 -232.38101 -223.28332 9.09769 2.47309 -223.58520 672.73651
5130.0000 -232.51166 -223.95015 8.56151 2.51623 -222.69986 706.03773
5135.0000 -232.01629 -224.70814 7.30815 2.40481 -224.98687 636.24901
5140.0000 -232.86377 -225.33592 7.52785 2.40257 -225.03277 628.94984
5145.0000 -232.63302 -224.00304 8.62998 2.42584 -224.55520 674.15455
5150.0000 -231.83617 -224.29616 7.54000 2.45133 -224.03205 671.72614
5155.0000 -231.26340 -223.53715 7.72625 2.44258 -224.21167 670.99971
5160.0000 -232.74894 -224.96099 7.78794 2.47318 -223.58338 678.30864
5165.0000 -232.40941 -225.52356 6.88585 2.40213 -225.04183 642.40151
5170.0000 -231.51340 -223.52444 7.98896 2.45541 -223.94813 696.64275
5175.0000 -231.58574 -223.05434 8.53140 2.47165 -223.61485 703.80137
5180.0000 -230.91805 -223.30101 7.61704 2.53405 -222.33403 725.47811
5185.0000 -231.55818 -221.29196 10.26621 2.52812 -222.45575 731.88035
5190.0000 -231.12692 -222.68115 8.44578 2.52837 -222.45049 728.83609
5195.0000 -232.45870 -223.46318 8.99552 2.49652 -223.10442 716.13613
5200.0000 -232.72306 -224.64935 8.07371 2.42609 -224.55008 658.50967
5205.0000 -232.44151 -224.62834 7.81317 2.45076 -224.04375 668.98680
5210.0000 -231.69598 -224.81305 6.88293 2.38391 -225.41585 635.58957
5215.0000 -233.75943 -225.23621 8.52322 2.38178 -225.45951 646.67211
5220.0000 -233.12019 -225.43996 7.68023 2.41245 -224.83010 656.63064
5225.0000 -230.59194 -222.41072 8.18122 2.45419 -223.97323 676.12146
5230.0000 -230.94398 -221.69470 9.24928 2.57368 -221.52056 730.43549
5235.0000 -230.49248 -222.83487 7.65761 2.54781 -222.05151 731.36869
5240.0000 -232.10991 -223.86324 8.24668 2.46284 -223.79562 688.54928
5245.0000 -232.39442 -223.44191 8.95251 2.45972 -223.85972 699.73524
5250.0000 -233.23171 -225.36048 7.87122 2.40970 -224.88646 673.37416
FREEZING PROCESS: loop number 22 T-loop= 655.00000000000000
main_MD> interactions number 22 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.91770 1.29395 -1.10638
force_rgl> df(natom) 1.57246 0.22968 0.71623
5255.0000 -232.29005 -225.57917 6.71088 2.37960 -225.50444 644.25829
5260.0000 -233.32995 -226.25940 7.07056 2.34163 -226.28384 605.25905
5265.0000 -232.50620 -225.11820 7.38800 2.34547 -226.20490 610.00583
5270.0000 -232.47185 -224.78931 7.68254 2.39772 -225.13236 647.09503
5275.0000 -233.87958 -225.63407 8.24551 2.37175 -225.66539 634.00396
5280.0000 -231.46679 -224.73692 6.72988 2.38388 -225.41646 639.08346
5285.0000 -232.23391 -224.09223 8.14168 2.45093 -224.04007 655.92172
5290.0000 -232.31674 -223.81298 8.50376 2.47501 -223.54586 686.47546
5295.0000 -232.37207 -225.24155 7.13052 2.43990 -224.26664 660.52754
5300.0000 -232.05512 -224.76697 7.28815 2.40432 -224.99683 627.74197
5305.0000 -231.45983 -224.33615 7.12368 2.43701 -224.32595 659.50727
5310.0000 -232.25183 -224.66941 7.58241 2.44333 -224.19614 665.92142
5315.0000 -232.51992 -224.07944 8.44048 2.43915 -224.28205 651.68153
5320.0000 -231.61874 -224.18779 7.43095 2.44521 -224.15762 669.96583
5325.0000 -233.86386 -225.69589 8.16797 2.42172 -224.63967 668.61990
5330.0000 -233.06984 -225.70373 7.36611 2.37750 -225.54735 615.21468
5335.0000 -231.63610 -223.98292 7.65318 2.39609 -225.16581 619.34490
5340.0000 -233.23943 -225.71598 7.52345 2.40344 -225.01493 640.04775
5345.0000 -234.22872 -226.74130 7.48743 2.37205 -225.65939 634.22639
5350.0000 -233.25118 -226.03054 7.22064 2.34247 -226.26644 596.85536
5355.0000 -234.19893 -225.75273 8.44620 2.38504 -225.39270 632.85351
5360.0000 -232.32985 -224.40907 7.92078 2.39860 -225.11441 649.12270
5365.0000 -232.29945 -222.67382 9.62564 2.44527 -224.15636 680.78427
5370.0000 -231.90471 -223.30811 8.59660 2.47261 -223.59512 668.32221
5375.0000 -231.66905 -223.06275 8.60631 2.50738 -222.88133 719.47158
5380.0000 -232.90446 -224.61382 8.29064 2.41862 -224.70336 648.24276
5385.0000 -232.34705 -225.72931 6.61774 2.39544 -225.17913 626.20526
5390.0000 -231.74830 -224.18987 7.55843 2.39201 -225.24962 625.35506
5395.0000 -232.85406 -226.27161 6.58245 2.41768 -224.72270 665.48366
5400.0000 -233.37505 -225.00100 8.37405 2.43584 -224.34997 694.59047
5405.0000 -233.43234 -224.94661 8.48573 2.40925 -224.89573 666.03043
5410.0000 -232.51252 -225.64935 6.86317 2.41133 -224.85300 660.24414
5415.0000 -231.92231 -223.30771 8.61459 2.42135 -224.64740 664.45717
5420.0000 -232.01716 -224.83891 7.17825 2.47304 -223.58632 688.01095
5425.0000 -231.47422 -225.67533 5.79889 2.37918 -225.51289 615.79663
5430.0000 -233.53710 -225.03678 8.50032 2.44141 -224.23565 692.76952
5435.0000 -232.69708 -225.31646 7.38062 2.38860 -225.31960 638.11261
5440.0000 -231.07014 -223.82713 7.24300 2.45813 -223.89228 678.61464
5445.0000 -233.56345 -224.46120 9.10225 2.47670 -223.51113 705.44043
5450.0000 -233.94197 -224.84627 9.09571 2.43085 -224.45230 670.50316
5455.0000 -231.36544 -223.34184 8.02360 2.43462 -224.37503 655.70278
5460.0000 -231.82109 -224.47978 7.34131 2.42626 -224.54666 663.43167
5465.0000 -232.69943 -225.03017 7.66927 2.38720 -225.34825 655.01595
5470.0000 -232.92669 -225.35501 7.57169 2.38504 -225.39274 635.06430
5475.0000 -232.51258 -224.52654 7.98604 2.41260 -224.82696 634.79859
5480.0000 -234.06384 -226.03271 8.03113 2.36821 -225.73812 643.77831
5485.0000 -233.56108 -225.91103 7.65005 2.34279 -226.26000 626.15846
5490.0000 -232.17093 -225.73655 6.43438 2.35728 -225.96242 626.55235
5495.0000 -234.94213 -227.17139 7.77074 2.31941 -226.73982 615.65338
5500.0000 -234.17454 -226.38087 7.79367 2.34475 -226.21979 649.08861
FREEZING PROCESS: loop number 23 T-loop= 630.00000000000000
main_MD> interactions number 23 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.49324 1.00404 3.16106
force_rgl> df(natom) -1.06828 -0.22537 -2.57822
5505.0000 -232.66610 -225.31317 7.35293 2.33969 -226.32351 620.51652
5510.0000 -232.30073 -225.13472 7.16601 2.37912 -225.51419 636.87818
5515.0000 -234.15270 -225.84881 8.30389 2.35741 -225.95992 603.29493
5520.0000 -232.62813 -225.19464 7.43348 2.36800 -225.74238 626.61770
5525.0000 -235.01742 -226.54631 8.47111 2.37981 -225.50007 653.19337
5530.0000 -234.35912 -227.04412 7.31500 2.31127 -226.90691 601.89134
5535.0000 -233.64181 -225.25557 8.38624 2.33215 -226.47825 614.33205
5540.0000 -233.90994 -226.76248 7.14746 2.35016 -226.10858 622.53831
5545.0000 -234.34528 -226.06691 8.27837 2.34671 -226.17946 603.92777
5550.0000 -233.66376 -226.50836 7.15540 2.32763 -226.57114 606.08598
5555.0000 -234.56789 -226.16890 8.39900 2.33622 -226.39476 622.70980
5560.0000 -235.15540 -228.17997 6.97543 2.29555 -227.22962 613.55540
5565.0000 -233.35649 -226.50946 6.84703 2.31487 -226.83302 620.08028
5570.0000 -234.64266 -226.72943 7.91323 2.34379 -226.23939 629.25457
5575.0000 -233.76723 -226.31563 7.45160 2.31684 -226.79267 612.61889
5580.0000 -233.25540 -226.40564 6.84975 2.31336 -226.86411 590.03087
5585.0000 -233.20008 -226.04478 7.15530 2.34723 -226.16886 623.87847
5590.0000 -234.07890 -227.09546 6.98344 2.32081 -226.71119 589.28471
5595.0000 -233.85400 -226.47732 7.37668 2.28580 -227.42978 561.72969
5600.0000 -233.10143 -225.82560 7.27583 2.35506 -226.00802 628.03965
5605.0000 -233.30915 -225.67190 7.63725 2.36061 -225.89416 629.48954
5610.0000 -233.60059 -226.87442 6.72617 2.33536 -226.41238 614.39365
5615.0000 -233.66752 -225.93488 7.73264 2.33008 -226.52075 608.94437
5620.0000 -232.90086 -226.01528 6.88558 2.36438 -225.81683 627.28523
5625.0000 -233.84162 -224.98102 8.86060 2.36049 -225.89662 620.90278
5630.0000 -231.95149 -224.63299 7.31850 2.38518 -225.38973 637.76657
5635.0000 -232.35298 -224.79714 7.55584 2.40906 -224.89972 655.25804
5640.0000 -233.36601 -226.14395 7.22205 2.38545 -225.38418 639.87316
5645.0000 -232.90718 -225.80252 7.10466 2.33867 -226.34446 578.94179
5650.0000 -233.57588 -226.03084 7.54504 2.35484 -226.01253 618.90382
5655.0000 -234.52462 -226.67498 7.84963 2.33843 -226.34940 621.25116
5660.0000 -233.09117 -225.50563 7.58554 2.33552 -226.40910 615.15975
5665.0000 -233.44395 -225.04552 8.39842 2.40820 -224.91726 640.22916
5670.0000 -235.14324 -227.62478 7.51846 2.33008 -226.52077 623.22340
5675.0000 -234.18791 -226.61653 7.57138 2.28902 -227.36361 580.93403
5680.0000 -234.04947 -226.59067 7.45880 2.33217 -226.47792 614.81439
5685.0000 -234.22493 -227.61193 6.61299 2.32532 -226.61862 589.58793
5690.0000 -235.19232 -226.57609 8.61623 2.31083 -226.91605 607.43687
5695.0000 -232.89677 -226.07044 6.82633 2.31966 -226.73466 606.07113
5700.0000 -233.40753 -226.32777 7.07976 2.37008 -225.69980 623.25607
5705.0000 -234.16058 -226.94475 7.21583 2.35054 -226.10087 624.65771
5710.0000 -233.95857 -226.65860 7.29997 2.31260 -226.87958 595.55425
5715.0000 -233.17868 -226.11973 7.05895 2.34451 -226.22456 600.76078
5720.0000 -232.94005 -225.93345 7.00659 2.35550 -225.99898 611.90724
5725.0000 -233.38872 -224.79976 8.58895 2.37855 -225.52585 632.55837
5730.0000 -232.81496 -225.46616 7.34880 2.40963 -224.88798 644.29051
5735.0000 -233.25293 -226.07292 7.18001 2.39126 -225.26501 642.50369
5740.0000 -232.22515 -225.48088 6.74427 2.37938 -225.50884 618.54397
5745.0000 -234.23764 -226.92598 7.31166 2.34886 -226.13537 597.51111
5750.0000 -233.66756 -227.99856 5.66900 2.27932 -227.56273 565.96104
FREEZING PROCESS: loop number 24 T-loop= 605.00000000000000
main_MD> interactions number 24 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.21477 -1.54079 0.34529
force_rgl> df(natom) 0.07000 -4.34360 3.37436
5755.0000 -233.43867 -226.40234 7.03633 2.33079 -226.50627 591.42752
5760.0000 -233.55423 -226.59006 6.96417 2.33521 -226.41558 583.27341
5765.0000 -233.82432 -227.46257 6.36175 2.29666 -227.20685 584.67932
5770.0000 -233.32286 -225.77581 7.54704 2.33439 -226.43246 595.53091
5775.0000 -233.10475 -225.04121 8.06354 2.38807 -225.33041 645.72259
5780.0000 -232.32149 -225.63400 6.68749 2.36048 -225.89684 622.34677
5785.0000 -234.15033 -226.56551 7.58483 2.32278 -226.67069 595.85054
5790.0000 -232.70073 -225.41023 7.29051 2.35870 -225.93327 620.66723
5795.0000 -233.69431 -226.35503 7.33928 2.39337 -225.22174 655.00769
5800.0000 -233.99738 -226.63152 7.36586 2.30404 -227.05546 572.04663
5805.0000 -234.20604 -225.86891 8.33713 2.34513 -226.21186 621.46064
5810.0000 -233.41629 -225.82125 7.59505 2.35945 -225.91803 624.40150
5815.0000 -233.19259 -226.80086 6.39173 2.34142 -226.28816 604.80593
5820.0000 -233.60811 -226.38378 7.22433 2.34414 -226.23225 607.15503
5825.0000 -234.51132 -227.30155 7.20977 2.31160 -226.90022 584.96724
5830.0000 -233.31599 -225.95981 7.35618 2.29675 -227.20506 584.27176
5835.0000 -234.01947 -226.67536 7.34411 2.35584 -225.99216 614.58063
5840.0000 -232.24286 -225.74870 6.49415 2.30643 -227.00631 588.61967
5845.0000 -233.63290 -226.14324 7.48966 2.34767 -226.15976 603.84055
5850.0000 -234.20419 -226.84894 7.35525 2.32720 -226.57992 618.63632
5855.0000 -234.41898 -226.49962 7.91937 2.32765 -226.57076 612.06872
5860.0000 -233.92487 -226.51864 7.40623 2.34262 -226.26347 616.85430
5865.0000 -234.50636 -227.45727 7.04908 2.29978 -227.14275 592.68601
5870.0000 -232.92170 -227.10752 5.81418 2.31458 -226.83905 607.00878
5875.0000 -232.49989 -225.18672 7.31317 2.36403 -225.82390 626.30736
5880.0000 -233.06764 -226.08505 6.98259 2.38548 -225.38373 656.25735
5885.0000 -234.35578 -227.17188 7.18391 2.32328 -226.66042 604.90365
5890.0000 -234.91380 -228.41108 6.50272 2.26394 -227.87855 553.48776
5895.0000 -235.28640 -227.86195 7.42445 2.25625 -228.03630 553.93764
5900.0000 -234.54720 -227.59683 6.95037 2.27280 -227.69668 579.80862
5905.0000 -234.47287 -227.69968 6.77318 2.26864 -227.78196 566.05041
5910.0000 -234.30459 -225.82468 8.47992 2.31006 -226.93181 607.49254
5915.0000 -233.03851 -224.12636 8.91215 2.41883 -224.69912 681.08218
5920.0000 -232.27333 -225.81651 6.45682 2.39830 -225.12059 656.96370
5925.0000 -234.12546 -226.27503 7.85044 2.38173 -225.46061 630.93107
5930.0000 -233.06208 -225.45653 7.60555 2.33499 -226.41996 598.75979
5935.0000 -234.88797 -227.95802 6.92994 2.32158 -226.69525 610.98814
5940.0000 -234.29867 -227.01223 7.28644 2.28614 -227.42270 603.66840
5945.0000 -233.89561 -227.37873 6.51688 2.31145 -226.90330 577.93035
5950.0000 -234.22009 -226.42858 7.79151 2.33971 -226.32316 594.28660
5955.0000 -233.65138 -226.05807 7.59331 2.33955 -226.32638 615.22837
5960.0000 -232.91252 -225.26501 7.64751 2.38816 -225.32860 645.24436
5965.0000 -233.43744 -225.85816 7.57928 2.36504 -225.80318 616.58411
5970.0000 -233.38153 -226.00494 7.37659 2.35694 -225.96953 606.25554
5975.0000 -235.66624 -228.50640 7.15983 2.30286 -227.07961 617.18618
5980.0000 -235.22312 -228.38030 6.84281 2.24359 -228.29624 594.10316
5985.0000 -234.88245 -228.34035 6.54209 2.23246 -228.52476 588.08046
5990.0000 -234.56265 -227.06310 7.49956 2.25519 -228.05812 586.84530
5995.0000 -234.98359 -228.29690 6.68669 2.26596 -227.83710 591.75613
6000.0000 -234.13404 -225.97204 8.16199 2.28466 -227.45324 581.41732
FREEZING PROCESS: loop number 25 T-loop= 580.00000000000000
main_MD> interactions number 25 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95942 -0.16663 0.49188
force_rgl> df(natom) -0.57086 -0.39353 -0.93422
6005.0000 -234.18491 -227.50137 6.68354 2.33804 -226.35750 607.82573
6010.0000 -232.29233 -225.44295 6.84938 2.29890 -227.16090 592.59300
6015.0000 -233.68363 -226.37767 7.30596 2.33778 -226.36283 604.81349
6020.0000 -234.53044 -227.02624 7.50420 2.31482 -226.83398 588.48082
6025.0000 -234.10209 -227.03111 7.07099 2.29361 -227.26938 580.59867
6030.0000 -234.18052 -228.47238 5.70814 2.27665 -227.61756 569.69753
6035.0000 -235.53455 -229.04590 6.48865 2.23241 -228.52568 546.73171
6040.0000 -234.78385 -227.47154 7.31231 2.24769 -228.21213 567.03794
6045.0000 -234.78940 -228.02400 6.76540 2.26360 -227.88551 572.07238
6050.0000 -234.37707 -227.85614 6.52093 2.26498 -227.85705 558.94037
6055.0000 -234.00114 -227.09949 6.90165 2.26994 -227.75530 562.09927
6060.0000 -233.62194 -226.35960 7.26235 2.30256 -227.08572 569.27414
6065.0000 -233.56302 -226.04376 7.51926 2.35931 -225.92083 616.47916
6070.0000 -234.22974 -226.54275 7.68699 2.35155 -226.08012 633.21516
6075.0000 -234.92272 -227.95899 6.96373 2.30454 -227.04519 600.25433
6080.0000 -235.42829 -228.67924 6.74905 2.26651 -227.82570 581.37100
6085.0000 -234.35621 -227.29562 7.06058 2.25712 -228.01844 556.19436
6090.0000 -233.87234 -227.13524 6.73710 2.27981 -227.55280 568.23829
6095.0000 -234.61342 -227.06590 7.54752 2.30626 -227.00986 606.10290
6100.0000 -233.63949 -226.59080 7.04869 2.32457 -226.63395 622.49482
6105.0000 -234.06100 -227.34662 6.71438 2.31251 -226.88147 603.15828
6110.0000 -234.11664 -227.16270 6.95394 2.27838 -227.58214 570.60464
6115.0000 -233.85815 -226.64578 7.21236 2.32139 -226.69921 593.37921
6120.0000 -235.29498 -228.21499 7.08000 2.27489 -227.65374 600.21336
6125.0000 -234.84584 -227.55841 7.28743 2.26990 -227.75614 600.82745
6130.0000 -233.91315 -228.00566 5.90749 2.27458 -227.65999 578.60844
6135.0000 -234.03967 -227.22118 6.81848 2.27118 -227.72977 579.49240
6140.0000 -235.55920 -228.62814 6.93106 2.23645 -228.44274 550.90828
6145.0000 -235.09899 -228.27753 6.82146 2.25531 -228.05568 555.03350
6150.0000 -234.54914 -228.16964 6.37950 2.24734 -228.21915 564.37977
6155.0000 -234.91282 -228.52501 6.38782 2.23950 -228.38019 554.39625
6160.0000 -234.12821 -227.34486 6.78335 2.25264 -228.11044 555.15003
6165.0000 -233.68672 -225.88169 7.80503 2.32970 -226.52868 608.44021
6170.0000 -234.19680 -226.97600 7.22080 2.36062 -225.89396 625.61504
6175.0000 -233.69174 -226.85797 6.83377 2.25997 -227.96004 564.30220
6180.0000 -233.88892 -226.65470 7.23422 2.31386 -226.85376 615.78400
6185.0000 -234.95704 -227.50942 7.44762 2.28482 -227.44994 581.34206
6190.0000 -234.13645 -227.58861 6.54784 2.29125 -227.31798 588.48918
6195.0000 -234.60704 -227.46225 7.14479 2.22886 -228.59854 557.53579
6200.0000 -234.60448 -227.66464 6.93984 2.29149 -227.31289 587.58934
6205.0000 -232.43213 -225.85282 6.57932 2.27400 -227.67191 555.82299
6210.0000 -233.21877 -225.94362 7.27515 2.35738 -225.96038 641.43986
6215.0000 -234.17483 -227.62075 6.55408 2.29517 -227.23737 579.44271
6220.0000 -233.89543 -226.29994 7.59549 2.30476 -227.04063 565.33252
6225.0000 -235.00842 -227.25597 7.75245 2.29629 -227.21439 589.60462
6230.0000 -234.10129 -227.56278 6.53851 2.30603 -227.01448 605.38373
6235.0000 -233.90968 -225.72083 8.18884 2.29700 -227.19982 607.21681
6240.0000 -234.31837 -227.38596 6.93240 2.32200 -226.68660 635.00626
6245.0000 -234.94030 -227.82623 7.11407 2.27355 -227.68119 594.28871
6250.0000 -235.35114 -228.72913 6.62201 2.26114 -227.93591 577.68055
FREEZING PROCESS: loop number 26 T-loop= 555.00000000000000
main_MD> interactions number 26 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.26044 2.14953 -0.17494
force_rgl> df(natom) -0.68487 2.10194 0.17421
6255.0000 -236.58691 -229.99874 6.58817 2.20030 -229.18482 571.78024
6260.0000 -236.09727 -229.13050 6.96677 2.17098 -229.78670 552.79699
6265.0000 -235.43730 -229.24741 6.18989 2.24079 -228.35360 585.74762
6270.0000 -236.57295 -230.01661 6.55634 2.13983 -230.42606 508.70792
6275.0000 -235.60485 -229.33070 6.27415 2.16693 -229.86970 518.52992
6280.0000 -235.72574 -228.91008 6.81566 2.22714 -228.63384 579.49321
6285.0000 -235.45390 -230.01956 5.43434 2.19319 -229.33085 556.21768
6290.0000 -235.27381 -228.82970 6.44412 2.17708 -229.66145 536.43174
6295.0000 -235.88549 -228.77806 7.10742 2.24374 -228.29313 566.98722
6300.0000 -235.62387 -228.85647 6.76739 2.19057 -229.38445 518.71261
6305.0000 -235.63878 -227.80247 7.83632 2.30061 -227.12585 606.81633
6310.0000 -235.82025 -229.80836 6.01189 2.20276 -229.13422 538.33369
6315.0000 -236.13183 -229.43276 6.69907 2.17297 -229.74583 530.34615
6320.0000 -236.01639 -230.33392 5.68247 2.15084 -230.20006 506.56058
6325.0000 -236.82178 -229.96560 6.85617 2.13050 -230.61759 496.39800
6330.0000 -234.77454 -228.02549 6.74906 2.22441 -228.68983 556.74286
6335.0000 -234.14598 -227.98390 6.16208 2.24228 -228.32318 573.05522
6340.0000 -234.95567 -228.56947 6.38621 2.23418 -228.48936 536.92222
6345.0000 -235.03386 -228.16884 6.86502 2.24790 -228.20773 553.14312
6350.0000 -235.42424 -228.87356 6.55067 2.24685 -228.22924 568.60071
6355.0000 -236.03560 -229.99806 6.03754 2.20450 -229.09869 552.99673
6360.0000 -234.78970 -229.75215 5.03755 2.22053 -228.76947 548.09767
6365.0000 -236.36009 -230.00551 6.35457 2.17528 -229.69842 520.74250
6370.0000 -235.78357 -228.42539 7.35818 2.18434 -229.51248 510.47353
6375.0000 -235.15583 -228.73679 6.41905 2.23922 -228.38595 545.08586
6380.0000 -234.55806 -227.59092 6.96714 2.26496 -227.85747 563.25091
6385.0000 -235.47236 -228.27951 7.19285 2.28606 -227.42437 596.61521
6390.0000 -234.38110 -225.91676 8.46434 2.28821 -227.38027 591.41149
6395.0000 -233.97094 -226.50670 7.46424 2.34671 -226.17943 624.68868
6400.0000 -233.73042 -226.93386 6.79656 2.31324 -226.86659 580.28061
6405.0000 -234.96437 -227.84758 7.11680 2.30488 -227.03804 591.55661
6410.0000 -234.20462 -227.42375 6.78087 2.25602 -228.04115 544.03344
6415.0000 -235.67237 -230.24794 5.42443 2.21453 -228.89268 515.52770
6420.0000 -235.33758 -229.72326 5.61431 2.13814 -230.46082 473.90414
6425.0000 -235.28559 -229.72466 5.56093 2.16743 -229.85951 500.28850
6430.0000 -235.96051 -228.07280 7.88772 2.21803 -228.82096 535.72846
6435.0000 -235.62942 -229.23423 6.39519 2.21029 -228.97977 543.39245
6440.0000 -235.89543 -229.38135 6.51408 2.19388 -229.31662 538.67530
6445.0000 -236.87617 -229.79830 7.07786 2.20108 -229.16886 546.03053
6450.0000 -235.24808 -228.80481 6.44326 2.18758 -229.44589 568.96194
6455.0000 -237.01628 -230.00557 7.01071 2.21186 -228.94756 560.13685
6460.0000 -234.65759 -228.13494 6.52264 2.19335 -229.32742 541.18252
6465.0000 -235.50912 -228.50616 7.00296 2.20293 -229.13083 546.77582
6470.0000 -236.26417 -229.62904 6.63513 2.20346 -229.12002 573.68071
6475.0000 -236.65717 -230.12969 6.52749 2.17121 -229.78199 548.72552
6480.0000 -234.34886 -228.64130 5.70756 2.20266 -229.13645 544.71377
6485.0000 -236.02602 -229.52023 6.50579 2.22385 -228.70137 541.57764
6490.0000 -235.65550 -229.10812 6.54738 2.22814 -228.61334 551.85894
6495.0000 -235.69699 -228.95212 6.74487 2.19369 -229.32047 526.99401
6500.0000 -235.83922 -228.77754 7.06167 2.23001 -228.57497 590.40523
FREEZING PROCESS: loop number 27 T-loop= 530.00000000000000
main_MD> interactions number 27 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.47334 -3.53535 0.12503
force_rgl> df(natom) -1.52208 0.04185 -0.12592
6505.0000 -235.27227 -228.71869 6.55358 2.21938 -228.79311 568.21132
6510.0000 -234.86740 -228.46098 6.40641 2.22291 -228.72064 572.31877
6515.0000 -236.01988 -229.37746 6.64242 2.21672 -228.84780 564.65385
6520.0000 -236.49030 -229.91627 6.57403 2.16142 -229.98287 525.03130
6525.0000 -235.23459 -229.06211 6.17248 2.18147 -229.57132 542.38180
6530.0000 -235.90905 -230.13406 5.77499 2.17693 -229.66448 525.26811
6535.0000 -236.44199 -230.69528 5.74671 2.11873 -230.85927 511.67498
6540.0000 -236.50429 -230.11592 6.38837 2.14361 -230.34857 506.25931
6545.0000 -235.25833 -229.04314 6.21519 2.18474 -229.50428 534.54592
6550.0000 -235.09041 -228.64557 6.44484 2.20692 -229.04886 537.32165
6555.0000 -234.75590 -228.36015 6.39575 2.24630 -228.24065 550.38261
6560.0000 -235.47281 -229.39293 6.07988 2.20654 -229.05674 530.66795
6565.0000 -236.10947 -229.54239 6.56709 2.20286 -229.13224 522.07535
6570.0000 -236.41178 -230.69521 5.71657 2.15678 -230.07811 498.06921
6575.0000 -236.36694 -229.74802 6.61892 2.16064 -229.99896 511.75235
6580.0000 -236.27165 -230.12737 6.14429 2.16420 -229.92587 500.88235
6585.0000 -236.03355 -230.65353 5.38003 2.16121 -229.98724 520.88466
6590.0000 -237.05884 -230.90951 6.14934 2.12596 -230.71076 508.97462
6595.0000 -237.30270 -230.69608 6.60662 2.12714 -230.68656 516.00640
6600.0000 -236.44023 -229.86991 6.57032 2.12959 -230.63631 516.50633
6605.0000 -237.00405 -230.33995 6.66410 2.13042 -230.61923 511.74773
6610.0000 -236.53628 -229.65858 6.87770 2.13762 -230.47140 501.35595
6615.0000 -236.37868 -230.28808 6.09059 2.16527 -229.90392 522.53937
6620.0000 -235.81301 -228.81351 6.99950 2.20140 -229.16230 560.03775
6625.0000 -236.30291 -228.91397 7.38894 2.19486 -229.29646 555.51340
6630.0000 -236.23007 -230.46142 5.76865 2.19820 -229.22783 560.96011
6635.0000 -237.59968 -231.79265 5.80703 2.10682 -231.10357 488.44926
6640.0000 -236.63640 -230.76445 5.87195 2.11190 -230.99931 488.58614
6645.0000 -237.43433 -230.93232 6.50202 2.12340 -230.76322 507.61892
6650.0000 -236.61334 -230.96298 5.65036 2.12072 -230.81829 496.68634
6655.0000 -236.80055 -230.11711 6.68344 2.15202 -230.17592 522.81469
6660.0000 -237.43982 -230.77843 6.66139 2.12721 -230.68508 508.16147
6665.0000 -236.49988 -230.34401 6.15587 2.14173 -230.38705 531.20217
6670.0000 -237.68310 -231.18144 6.50166 2.13150 -230.59702 523.88409
6675.0000 -236.42018 -229.79586 6.62432 2.12560 -230.71819 522.12332
6680.0000 -235.87891 -229.73539 6.14352 2.16074 -229.99693 544.94628
6685.0000 -237.11892 -231.31319 5.80572 2.14547 -230.31024 546.42605
6690.0000 -237.50905 -232.38893 5.12011 2.07847 -231.68554 505.71297
6695.0000 -238.28652 -230.81886 7.46766 2.05886 -232.08819 489.36553
6700.0000 -237.28017 -231.58787 5.69230 2.12399 -230.75127 552.89290
6705.0000 -238.60136 -232.34365 6.25771 2.07660 -231.72403 513.40880
6710.0000 -237.93082 -231.38927 6.54154 2.07584 -231.73958 505.77435
6715.0000 -236.86462 -231.32239 5.54224 2.10739 -231.09201 537.96049
6720.0000 -237.19817 -232.02141 5.17676 2.05708 -232.12457 497.20325
6725.0000 -237.32920 -231.11759 6.21160 2.12150 -230.80233 545.25467
6730.0000 -237.79293 -230.93956 6.85337 2.10308 -231.18048 529.94631
6735.0000 -237.56119 -231.59304 5.96815 2.12603 -230.70931 536.58629
6740.0000 -236.28735 -229.42747 6.85989 2.14401 -230.34019 552.47140
6745.0000 -237.14470 -230.71680 6.42790 2.15685 -230.07667 537.49331
6750.0000 -238.13156 -231.20296 6.92859 2.12118 -230.80886 518.64118
FREEZING PROCESS: loop number 28 T-loop= 505.00000000000000
main_MD> interactions number 28 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.87048 -1.02807 1.01687
force_rgl> df(natom) 0.94798 -0.63328 0.59020
6755.0000 -239.18947 -233.42911 5.76036 2.06673 -231.92656 494.53998
6760.0000 -238.22959 -231.70060 6.52899 2.04481 -232.37660 485.52397
6765.0000 -236.96744 -230.72733 6.24012 2.09662 -231.31306 523.63566
6770.0000 -237.68978 -231.43528 6.25449 2.08743 -231.50157 524.43423
6775.0000 -237.16287 -230.35939 6.80348 2.12269 -230.77780 537.37517
6780.0000 -237.44168 -231.34424 6.09743 2.12424 -230.74599 520.35508
6785.0000 -237.95795 -231.41782 6.54013 2.09283 -231.39075 526.55408
6790.0000 -239.04868 -233.17165 5.87703 2.04084 -232.45806 500.35570
6795.0000 -239.53358 -234.11445 5.41913 1.97508 -233.80779 448.19915
6800.0000 -239.12106 -233.19436 5.92670 2.00157 -233.26403 468.99662
6805.0000 -238.46834 -232.75838 5.70996 2.04308 -232.41210 498.45489
6810.0000 -238.05253 -232.48414 5.56839 2.03348 -232.60910 489.05799
6815.0000 -238.77504 -232.79771 5.97733 2.03081 -232.66389 478.81918
6820.0000 -237.76772 -231.51570 6.25202 2.06354 -231.99201 515.03873
6825.0000 -237.73437 -231.99512 5.73925 2.06364 -231.99003 517.87267
6830.0000 -238.27409 -232.51122 5.76287 2.04211 -232.43196 492.08284
6835.0000 -238.83768 -232.46157 6.37611 2.02405 -232.80260 489.54704
6840.0000 -238.78556 -232.60485 6.18071 2.02358 -232.81225 484.77487
6845.0000 -238.87787 -233.75964 5.11823 2.00028 -233.29067 460.65974
6850.0000 -239.49096 -232.58986 6.90111 2.01619 -232.96409 477.14157
6855.0000 -237.85667 -231.80660 6.05007 2.04850 -232.30077 503.50732
6860.0000 -237.73025 -233.01584 4.71442 2.01253 -233.03923 475.96704
6865.0000 -238.61307 -233.18125 5.43181 2.00616 -233.16981 472.00927
6870.0000 -239.47488 -233.35662 6.11826 2.00735 -233.14541 471.55195
6875.0000 -237.80580 -232.42156 5.38424 2.03761 -232.52441 495.05674
6880.0000 -237.92895 -230.75301 7.17594 2.05219 -232.22505 503.44071
6885.0000 -238.44294 -232.78207 5.66087 2.08883 -231.47289 527.28852
6890.0000 -238.66739 -232.69864 5.96875 2.03323 -232.61421 482.64532
6895.0000 -238.52425 -232.86621 5.65804 2.01486 -232.99125 472.55179
6900.0000 -238.76567 -231.32391 7.44176 2.03982 -232.47898 493.98201
6905.0000 -237.36043 -232.23036 5.13007 2.07032 -231.85286 514.24136
6910.0000 -238.42555 -232.63395 5.79160 2.05987 -232.06741 503.86943
6915.0000 -238.48705 -233.05850 5.42855 2.02705 -232.74098 481.48516
6920.0000 -238.39909 -232.71701 5.68208 2.00610 -233.17117 470.43032
6925.0000 -238.67660 -232.75616 5.92044 2.04604 -232.35125 499.79938
6930.0000 -239.47290 -233.47103 6.00188 2.04341 -232.40521 493.50941
6935.0000 -238.30767 -233.46202 4.84565 1.98508 -233.60261 458.62383
6940.0000 -237.64932 -232.00302 5.64631 2.01248 -233.04023 465.82382
6945.0000 -237.19692 -231.69396 5.50296 2.09051 -231.43848 524.29693
6950.0000 -238.03823 -232.40124 5.63699 2.07519 -231.75299 510.94742
6955.0000 -238.69986 -232.46196 6.23790 2.06707 -231.91965 505.12847
6960.0000 -237.90654 -232.34263 5.56391 2.04696 -232.33236 495.87034
6965.0000 -238.55358 -232.16937 6.38422 2.05530 -232.16127 509.55248
6970.0000 -237.89445 -231.79301 6.10144 2.03678 -232.54142 496.19760
6975.0000 -238.16693 -231.90249 6.26444 2.06960 -231.86776 515.31799
6980.0000 -238.07504 -232.51715 5.55789 2.07903 -231.67401 526.59179
6985.0000 -238.73993 -233.07835 5.66158 2.01226 -233.04469 484.17370
6990.0000 -237.58450 -232.43350 5.15100 2.01809 -232.92505 471.00683
6995.0000 -237.12434 -231.19660 5.92774 2.08590 -231.53298 496.70081
7000.0000 -237.10968 -230.64464 6.46505 2.13123 -230.60259 524.93944
FREEZING PROCESS: loop number 29 T-loop= 480.00000000000000
main_MD> interactions number 29 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.78088 -1.43788 0.52240
force_rgl> df(natom) 0.23484 -2.53132 -4.77736
7005.0000 -237.44438 -232.22229 5.22209 2.09978 -231.24809 499.51818
7010.0000 -238.79929 -233.03358 5.76572 2.06452 -231.97202 476.36926
7015.0000 -238.43185 -232.31404 6.11781 2.03767 -232.52303 463.98457
7020.0000 -237.29762 -231.93838 5.35924 2.03732 -232.53032 458.90667
7025.0000 -237.75904 -232.54124 5.21780 2.05923 -232.08052 484.41042
7030.0000 -238.24178 -232.34960 5.89218 2.04822 -232.30648 484.95388
7035.0000 -237.99620 -231.33690 6.65930 2.06260 -232.01135 503.36736
7040.0000 -238.27210 -232.51161 5.76049 2.06648 -231.93180 495.38776
7045.0000 -237.76430 -231.88508 5.87922 2.04126 -232.44939 477.73557
7050.0000 -238.42310 -233.07310 5.34999 2.03802 -232.51599 470.93426
7055.0000 -238.63247 -233.01337 5.61910 2.00795 -233.13318 458.00072
7060.0000 -238.30114 -232.67891 5.62222 2.02872 -232.70679 477.67771
7065.0000 -238.30744 -232.90362 5.40382 2.05270 -232.21462 493.28876
7070.0000 -238.03836 -232.41501 5.62335 2.03079 -232.66437 472.84438
7075.0000 -238.20897 -232.54093 5.66804 2.03836 -232.50892 481.46927
7080.0000 -238.40678 -232.73082 5.67597 2.03621 -232.55300 477.47720
7085.0000 -238.01489 -232.33244 5.68246 2.03259 -232.62733 466.23101
7090.0000 -237.87631 -232.74879 5.12752 2.04278 -232.41816 473.38931
7095.0000 -237.94765 -232.09398 5.85367 2.05818 -232.10203 492.50772
7100.0000 -237.46161 -231.74468 5.71692 2.06320 -231.99908 464.27146
7105.0000 -237.64195 -231.25546 6.38649 2.09981 -231.24763 497.35536
7110.0000 -237.30898 -231.64348 5.66550 2.11712 -230.89227 503.77017
7115.0000 -237.48443 -232.08962 5.39481 2.05348 -232.19850 458.36206
7120.0000 -237.90650 -231.72133 6.18516 2.04587 -232.35479 451.27215
7125.0000 -237.23193 -232.04979 5.18214 2.08213 -231.61048 470.02736
7130.0000 -237.64538 -231.98342 5.66196 2.04359 -232.40157 447.79750
7135.0000 -237.88846 -232.56795 5.32051 2.03712 -232.53428 446.14948
7140.0000 -238.21810 -232.38204 5.83605 2.03078 -232.66454 450.47296
7145.0000 -238.31771 -231.59684 6.72086 2.07341 -231.78940 509.94314
7150.0000 -238.36534 -232.48436 5.88097 2.06468 -231.96864 506.47376
7155.0000 -238.31273 -233.28294 5.02979 1.99047 -233.49195 450.52963
7160.0000 -239.20920 -233.67270 5.53650 1.97970 -233.71300 443.55110
7165.0000 -239.06222 -233.17735 5.88488 1.99063 -233.48872 451.90654
7170.0000 -238.90645 -232.62403 6.28242 2.02372 -232.80947 476.52030
7175.0000 -238.24240 -232.75586 5.48654 2.01319 -233.02558 464.47710
7180.0000 -238.22203 -232.51764 5.70439 2.05324 -232.20343 492.71588
7185.0000 -238.73085 -232.63796 6.09289 2.04113 -232.45200 490.14827
7190.0000 -239.13565 -232.99470 6.14095 2.01130 -233.06437 471.30033
7195.0000 -238.58386 -232.02809 6.55577 2.02900 -232.70110 491.12755
7200.0000 -238.41043 -231.84781 6.56262 2.07026 -231.85402 510.74629
7205.0000 -237.22115 -231.85884 5.36231 2.06416 -231.97932 505.07151
7210.0000 -239.66043 -233.97444 5.68599 2.03833 -232.50954 484.67319
7215.0000 -238.70370 -233.09285 5.61085 1.99666 -233.36483 456.64567
7220.0000 -238.75677 -233.82388 4.93289 2.02263 -232.83186 472.49939
7225.0000 -238.77799 -233.23656 5.54142 1.98492 -233.60593 448.30409
7230.0000 -238.12661 -232.84689 5.27972 2.02246 -232.83539 474.25259
7235.0000 -238.57111 -232.73102 5.84008 2.01813 -232.92419 470.40830
7240.0000 -238.19712 -232.58944 5.60767 2.06180 -232.02772 499.03559
7245.0000 -238.35054 -233.07384 5.27671 2.05821 -232.10141 489.18578
7250.0000 -238.39543 -233.41519 4.98024 2.01326 -233.02414 461.74441
FREEZING PROCESS: loop number 30 T-loop= 455.00000000000000
main_MD> interactions number 30 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22562 -1.09460 -0.30983
force_rgl> df(natom) 1.97938 -2.76732 1.23506
7255.0000 -238.86684 -233.29441 5.57243 2.00712 -233.15023 486.65260
7260.0000 -239.91270 -234.18507 5.72763 1.97070 -233.89775 455.33982
7265.0000 -239.05773 -234.10491 4.95283 1.94415 -234.44267 435.64370
7270.0000 -240.34450 -234.57592 5.76858 1.95723 -234.17430 442.59137
7275.0000 -239.43275 -234.29135 5.14140 1.96510 -234.01278 444.46497
7280.0000 -239.33689 -234.58487 4.75203 1.95642 -234.19093 447.23991
7285.0000 -239.70322 -234.49225 5.21096 1.93720 -234.58549 429.51172
7290.0000 -239.16599 -233.27619 5.88979 1.97917 -233.72401 458.35114
7295.0000 -239.25587 -234.25931 4.99656 1.97950 -233.71711 459.31286
7300.0000 -239.16751 -233.34317 5.82434 1.96847 -233.94345 451.15171
7305.0000 -239.77085 -234.16720 5.60365 1.96629 -233.98827 450.91889
7310.0000 -238.98339 -233.94912 5.03427 1.98478 -233.60884 463.15772
7315.0000 -239.28210 -233.50840 5.77369 2.01973 -232.89140 489.53876
7320.0000 -239.79707 -234.07174 5.72534 1.98208 -233.66424 468.43640
7325.0000 -239.48282 -234.64660 4.83622 1.97526 -233.80424 459.97953
7330.0000 -238.90609 -233.00687 5.89922 1.98649 -233.57365 466.25904
7335.0000 -239.09222 -232.63254 6.45968 2.00464 -233.20102 476.85482
7340.0000 -238.84068 -232.90328 5.93740 2.02516 -232.77981 490.55103
7345.0000 -239.76172 -234.69572 5.06600 1.97113 -233.88898 452.69072
7350.0000 -239.76877 -234.65612 5.11266 1.92690 -234.79682 423.27103
7355.0000 -239.81181 -234.65930 5.15251 1.93583 -234.61350 426.73284
7360.0000 -240.13846 -233.94110 6.19735 1.94719 -234.38032 438.14873
7365.0000 -239.63396 -233.47321 6.16075 1.98432 -233.61815 460.95154
7370.0000 -238.99542 -232.86799 6.12744 1.98890 -233.52409 470.40122
7375.0000 -238.92053 -233.12655 5.79398 1.99783 -233.34096 473.68828
7380.0000 -239.75055 -234.41210 5.33844 1.97115 -233.88859 453.76110
7385.0000 -239.31497 -234.17591 5.13907 1.95652 -234.18884 447.28995
7390.0000 -238.47985 -233.44099 5.03886 1.97109 -233.88970 455.75398
7395.0000 -238.77250 -232.62873 6.14377 2.00255 -233.24391 480.67571
7400.0000 -239.06756 -232.85472 6.21284 2.00898 -233.11198 483.59613
7405.0000 -239.11431 -233.11477 5.99954 2.00568 -233.17972 482.91078
7410.0000 -239.22873 -232.96353 6.26520 2.00139 -233.26784 475.50913
7415.0000 -239.53125 -234.00772 5.52353 1.97936 -233.72010 464.41854
7420.0000 -239.30458 -233.63003 5.67455 1.97602 -233.78866 461.38952
7425.0000 -238.88085 -233.71766 5.16319 1.99284 -233.44334 473.31974
7430.0000 -238.95845 -233.40739 5.55106 1.96320 -234.05181 446.67120
7435.0000 -239.35545 -233.80326 5.55219 1.98765 -233.54989 466.30625
7440.0000 -239.39944 -234.19165 5.20778 1.96874 -233.93796 450.62256
7445.0000 -239.08504 -233.14731 5.93773 1.99818 -233.33365 475.68465
7450.0000 -238.89159 -233.01590 5.87569 2.02503 -232.78246 490.65677
7455.0000 -238.90148 -233.62964 5.27183 2.00563 -233.18082 480.79082
7460.0000 -239.86117 -234.13252 5.72865 1.98348 -233.63537 463.35299
7465.0000 -239.52749 -234.21038 5.31711 1.95843 -234.14954 447.73830
7470.0000 -238.87189 -233.45522 5.41667 1.99644 -233.36949 471.86009
7475.0000 -239.75806 -233.69487 6.06319 1.99079 -233.48534 470.27598
7480.0000 -239.24384 -233.87092 5.37291 1.99088 -233.48356 464.68408
7485.0000 -238.97726 -233.96028 5.01698 1.97847 -233.73825 457.21054
7490.0000 -239.29238 -233.59896 5.69343 1.95833 -234.15165 442.57722
7495.0000 -239.12495 -233.97900 5.14595 1.95807 -234.15695 446.64592
7500.0000 -239.53978 -234.09711 5.44267 1.93653 -234.59922 429.63175
FREEZING PROCESS: loop number 31 T-loop= 430.00000000000000
main_MD> interactions number 31 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43163 0.30584 2.38079
force_rgl> df(natom) -1.49128 -1.55320 1.10423
7505.0000 -239.80634 -234.97769 4.82865 1.92812 -234.77180 421.33374
7510.0000 -240.53863 -235.67623 4.86240 1.90445 -235.25777 403.54429
7515.0000 -239.46651 -234.65221 4.81430 1.90899 -235.16458 407.44243
7520.0000 -239.75809 -234.01866 5.73942 1.93829 -234.56295 433.99278
7525.0000 -239.77497 -234.69148 5.08349 1.94303 -234.46569 433.65939
7530.0000 -239.88083 -234.46757 5.41326 1.94244 -234.47781 436.15376
7535.0000 -238.99669 -233.77681 5.21988 1.95037 -234.31500 437.29563
7540.0000 -240.25815 -235.19335 5.06480 1.95335 -234.25391 441.22075
7545.0000 -240.36974 -235.99137 4.37837 1.88692 -235.61758 391.31540
7550.0000 -240.54168 -236.14635 4.39533 1.88040 -235.75125 386.87487
7555.0000 -240.13726 -235.60162 4.53563 1.87924 -235.77512 381.72588
7560.0000 -240.06556 -235.14692 4.91864 1.90158 -235.31662 402.75497
7565.0000 -239.98747 -235.85693 4.13054 1.90653 -235.21500 402.42974
7570.0000 -239.10114 -233.81666 5.28447 1.92103 -234.91724 418.76883
7575.0000 -239.69843 -233.78078 5.91765 1.94464 -234.43280 436.85836
7580.0000 -240.10640 -235.09165 5.01474 1.95764 -234.16584 446.03482
7585.0000 -239.75832 -234.75293 5.00539 1.93328 -234.66582 424.69893
7590.0000 -239.63036 -234.74531 4.88505 1.93297 -234.67216 423.44934
7595.0000 -239.37504 -234.28351 5.09152 1.95477 -234.22479 435.91346
7600.0000 -240.17302 -235.02793 5.14508 1.92868 -234.76021 420.15528
7605.0000 -239.16235 -234.50057 4.66179 1.95842 -234.14991 444.15902
7610.0000 -240.06241 -234.83457 5.22784 1.90896 -235.16517 409.61811
7615.0000 -240.19522 -235.72542 4.46980 1.88153 -235.72811 392.08001
7620.0000 -239.63234 -234.45231 5.18003 1.89827 -235.38443 399.62344
7625.0000 -239.95069 -233.76636 6.18434 1.97605 -233.78798 458.40957
7630.0000 -238.75717 -234.00014 4.75703 1.95437 -234.23296 440.35050
7635.0000 -240.34102 -235.38471 4.95632 1.91261 -235.09026 408.29274
7640.0000 -239.93350 -235.12728 4.80622 1.91292 -235.08389 412.05837
7645.0000 -240.25670 -235.16329 5.09340 1.90196 -235.30886 401.11460
7650.0000 -240.07819 -235.06190 5.01629 1.91431 -235.05518 413.51108
7655.0000 -240.02106 -235.51291 4.50816 1.89366 -235.47919 394.36882
7660.0000 -240.38713 -235.93148 4.45565 1.89821 -235.38580 399.79358
7665.0000 -240.40898 -234.96502 5.44396 1.89501 -235.45140 397.01626
7670.0000 -239.90309 -234.37701 5.52608 1.93534 -234.62354 429.10859
7675.0000 -240.31158 -235.24191 5.06967 1.93839 -234.56108 429.58487
7680.0000 -239.73018 -235.04803 4.68215 1.91163 -235.11038 410.43782
7685.0000 -240.70277 -235.90017 4.80260 1.89230 -235.50699 394.71442
7690.0000 -240.15009 -235.65865 4.49144 1.88266 -235.70497 386.34692
7695.0000 -240.51634 -235.77656 4.73977 1.88290 -235.70010 386.30500
7700.0000 -240.22788 -235.68456 4.54333 1.88648 -235.62645 389.95390
7705.0000 -239.66985 -233.99153 5.67832 1.93917 -234.54499 430.55131
7710.0000 -239.86207 -235.36871 4.49336 1.93701 -234.58926 426.77584
7715.0000 -240.35726 -235.62512 4.73214 1.89911 -235.36736 400.73176
7720.0000 -240.16818 -235.04644 5.12175 1.89669 -235.41703 399.30055
7725.0000 -239.90191 -234.68640 5.21551 1.95818 -234.15471 443.50967
7730.0000 -240.44863 -234.76067 5.68797 1.94837 -234.35622 436.60055
7735.0000 -240.31429 -235.35804 4.95625 1.90579 -235.23007 405.43710
7740.0000 -239.62788 -234.75615 4.87173 1.92716 -234.79155 421.24924
7745.0000 -239.80539 -234.43417 5.37122 1.92754 -234.78373 420.45499
7750.0000 -239.27276 -233.62833 5.64443 1.96105 -234.09588 451.02189
FREEZING PROCESS: loop number 32 T-loop= 405.00000000000000
main_MD> interactions number 32 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.11712 -0.16469 0.78188
force_rgl> df(natom) 0.85541 -0.49780 1.87607
7755.0000 -240.04951 -235.33306 4.71645 1.95567 -234.20621 443.98819
7760.0000 -240.23010 -235.62795 4.60215 1.89540 -235.44339 395.46407
7765.0000 -240.78224 -235.79541 4.98683 1.89478 -235.45609 397.31623
7770.0000 -240.24606 -235.46391 4.78215 1.88206 -235.71724 387.82210
7775.0000 -240.21849 -235.32048 4.89801 1.90072 -235.33420 400.49710
7780.0000 -240.09038 -235.56949 4.52089 1.89992 -235.35056 400.75951
7785.0000 -239.74019 -234.85801 4.88218 1.90486 -235.24928 405.95866
7790.0000 -240.24604 -235.16564 5.08040 1.93514 -234.62769 424.26868
7795.0000 -240.77224 -236.29232 4.47992 1.88502 -235.65645 386.73481
7800.0000 -239.23288 -234.49898 4.73391 1.90435 -235.25964 405.26392
7805.0000 -238.68426 -233.77000 4.91426 1.94686 -234.38717 438.26503
7810.0000 -239.23148 -234.57052 4.66096 1.99749 -233.34785 456.75557
7815.0000 -239.75092 -234.72017 5.03075 1.92525 -234.83066 398.64333
7820.0000 -239.77439 -234.29409 5.48029 1.96275 -234.06100 426.52679
7825.0000 -239.10689 -234.20859 4.89830 1.93932 -234.54185 408.50098
7830.0000 -239.03216 -233.50233 5.52983 1.96847 -233.94358 433.78956
7835.0000 -239.51740 -234.61293 4.90446 1.95971 -234.12342 428.55026
7840.0000 -239.90509 -235.27471 4.63038 1.92432 -234.84975 397.95216
7845.0000 -240.22034 -234.86214 5.35821 1.92306 -234.87576 392.84886
7850.0000 -239.50487 -235.04831 4.45656 1.92397 -234.85708 394.71116
7855.0000 -239.24794 -235.01978 4.22816 1.91342 -235.07353 390.56679
7860.0000 -238.84556 -234.52750 4.31806 1.93367 -234.65785 406.17267
7865.0000 -239.80666 -234.99746 4.80920 1.92876 -234.75864 403.22242
7870.0000 -239.39842 -234.45617 4.94225 1.94744 -234.37531 419.62509
7875.0000 -240.15888 -235.41349 4.74540 1.92268 -234.88351 397.69610
7880.0000 -239.76449 -235.22305 4.54144 1.89021 -235.54997 373.98869
7885.0000 -240.07524 -235.92783 4.14742 1.88551 -235.64639 367.46478
7890.0000 -239.84552 -235.33412 4.51141 1.89699 -235.41074 378.18537
7895.0000 -240.52352 -235.64319 4.88033 1.88033 -235.75286 364.23259
7900.0000 -240.04998 -235.30664 4.74334 1.89702 -235.41017 373.16009
7905.0000 -239.57716 -235.22740 4.34976 1.92862 -234.76144 399.28349
7910.0000 -239.33117 -234.58869 4.74248 1.91149 -235.11321 383.36519
7915.0000 -239.59662 -235.17457 4.42204 1.91943 -234.95021 389.12746
7920.0000 -240.55991 -235.50966 5.05025 1.91748 -234.99011 388.28842
7925.0000 -239.77046 -235.47154 4.29892 1.90407 -235.26543 378.47045
7930.0000 -239.55385 -234.96448 4.58937 1.89891 -235.37130 378.92081
7935.0000 -238.74167 -234.43377 4.30791 1.92290 -234.87888 395.77174
7940.0000 -239.28921 -234.60911 4.68010 1.93992 -234.52955 410.71352
7945.0000 -240.10922 -235.44280 4.66642 1.93790 -234.57102 408.15228
7950.0000 -240.92299 -236.58895 4.33403 1.86163 -236.13659 350.24256
7955.0000 -239.85618 -234.57979 5.27639 1.87823 -235.79586 363.82392
7960.0000 -238.92510 -234.21842 4.70667 1.94147 -234.49776 412.17183
7965.0000 -239.58615 -234.18166 5.40449 1.98354 -233.63417 444.11658
7970.0000 -239.51115 -234.93309 4.57805 1.94304 -234.46548 409.75723
7975.0000 -239.99433 -234.59986 5.39447 1.91837 -234.97203 394.78928
7980.0000 -239.48886 -234.33167 5.15719 1.94862 -234.35093 421.96849
7985.0000 -239.54901 -235.02386 4.52515 1.93908 -234.54684 410.94904
7990.0000 -239.32277 -234.45493 4.86785 1.94072 -234.51309 399.45582
7995.0000 -239.73114 -234.48030 5.25083 1.93924 -234.54345 400.42585
8000.0000 -239.50105 -233.74143 5.75962 1.94459 -234.43364 403.52465
FREEZING PROCESS: loop number 33 T-loop= 380.00000000000000
main_MD> interactions number 33 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.33494 -3.88380 1.11681
force_rgl> df(natom) -0.01449 -0.45990 -0.43735
8005.0000 -238.92006 -234.13181 4.78825 1.98140 -233.67809 430.13145
8010.0000 -239.44028 -234.53909 4.90119 1.95711 -234.17677 412.98639
8015.0000 -239.49724 -234.68518 4.81205 1.94040 -234.51982 403.92886
8020.0000 -240.07587 -235.35269 4.72319 1.89142 -235.52511 365.53464
8025.0000 -239.61144 -235.02019 4.59125 1.89567 -235.43788 362.94626
8030.0000 -240.07278 -235.24220 4.83058 1.90210 -235.30590 366.53510
8035.0000 -239.62283 -234.98297 4.63986 1.90415 -235.26383 372.22883
8040.0000 -239.94100 -235.50738 4.43362 1.89759 -235.39855 365.62803
8045.0000 -239.81703 -235.54672 4.27031 1.90365 -235.27417 369.25165
8050.0000 -239.96303 -235.15625 4.80678 1.89835 -235.38295 363.21744
8055.0000 -239.60708 -235.86129 3.74579 1.89473 -235.45725 366.68815
8060.0000 -239.45950 -235.27561 4.18389 1.87290 -235.90525 348.05323
8065.0000 -240.30143 -235.83211 4.46932 1.88815 -235.59234 358.47202
8070.0000 -239.61804 -234.81021 4.80783 1.89571 -235.43703 374.19508
8075.0000 -240.00379 -235.50800 4.49579 1.91858 -234.96773 397.59421
8080.0000 -240.16285 -235.46459 4.69826 1.89592 -235.43267 377.80009
8085.0000 -240.61563 -236.67859 3.93704 1.84865 -236.40307 341.78372
8090.0000 -239.73665 -235.74686 3.98979 1.86977 -235.96951 360.37812
8095.0000 -240.34781 -236.04543 4.30237 1.89286 -235.49560 375.13358
8100.0000 -239.77023 -235.39585 4.37438 1.89620 -235.42712 377.64311
8105.0000 -239.60246 -235.54472 4.05775 1.92079 -234.92230 395.08746
8110.0000 -240.11741 -235.33004 4.78738 1.90004 -235.34819 385.79413
8115.0000 -239.64488 -235.59211 4.05277 1.90474 -235.25166 387.32592
8120.0000 -239.46057 -235.18376 4.27681 1.91072 -235.12905 388.10871
8125.0000 -239.93139 -235.09944 4.83195 1.88900 -235.57476 370.04939
8130.0000 -239.75533 -234.78936 4.96597 1.92078 -234.92237 398.25838
8135.0000 -239.77908 -234.04032 5.73876 1.93604 -234.60930 409.17888
8140.0000 -239.50201 -234.71218 4.78983 1.92344 -234.86779 396.25928
8145.0000 -239.38691 -234.46769 4.91922 1.94977 -234.32745 419.62453
8150.0000 -239.86634 -234.91509 4.95125 1.93162 -234.70004 406.14623
8155.0000 -239.37100 -234.90317 4.46783 1.91582 -235.02429 395.17012
8160.0000 -240.78161 -235.71862 5.06299 1.89767 -235.39685 392.66558
8165.0000 -239.79181 -234.90523 4.88658 1.87690 -235.82310 380.53252
8170.0000 -240.18556 -235.37135 4.81421 1.89184 -235.51653 390.86244
8175.0000 -240.43454 -235.79973 4.63481 1.89004 -235.55342 391.30972
8180.0000 -240.60730 -235.76176 4.84554 1.87798 -235.80092 383.24284
8185.0000 -240.33475 -235.72046 4.61429 1.87578 -235.84608 383.69371
8190.0000 -240.02937 -235.34343 4.68594 1.89691 -235.41243 393.74008
8195.0000 -239.98953 -234.43532 5.55421 1.91886 -234.96182 406.84905
8200.0000 -240.39899 -235.68087 4.71812 1.90336 -235.28008 399.59743
8205.0000 -240.30643 -234.81710 5.48933 1.92342 -234.86833 413.31004
8210.0000 -239.74436 -234.88395 4.86041 1.92444 -234.84742 410.41129
8215.0000 -240.59177 -235.77470 4.81707 1.89276 -235.49762 386.36803
8220.0000 -239.47699 -235.06617 4.41083 1.89363 -235.47976 388.86895
8225.0000 -240.09888 -235.59917 4.49971 1.89870 -235.37578 391.00060
8230.0000 -240.85799 -236.01145 4.84654 1.86878 -235.98978 375.49555
8235.0000 -241.03342 -235.79843 5.23499 1.86035 -236.16280 365.37374
8240.0000 -240.71940 -235.81386 4.90554 1.87352 -235.89267 373.67628
8245.0000 -239.67204 -234.51727 5.15477 1.88367 -235.68414 384.20141
8250.0000 -240.00289 -235.74156 4.26133 1.93053 -234.72237 416.10748
FREEZING PROCESS: loop number 34 T-loop= 355.00000000000000
main_MD> interactions number 34 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08932 -2.04746 -1.55848
force_rgl> df(natom) -0.14128 -0.22763 -0.33085
8255.0000 -240.47982 -236.33839 4.14143 1.86044 -236.16097 365.62813
8260.0000 -241.02385 -237.19247 3.83139 1.82975 -236.79109 341.54358
8265.0000 -240.99865 -236.15348 4.84517 1.84600 -236.45749 351.69817
8270.0000 -240.40823 -236.43562 3.97261 1.84419 -236.49468 352.96426
8275.0000 -241.29139 -236.63482 4.65657 1.83087 -236.76798 339.41911
8280.0000 -241.03155 -236.63939 4.39215 1.84699 -236.43724 353.16214
8285.0000 -240.95666 -236.88115 4.07551 1.83162 -236.75256 342.15301
8290.0000 -240.52877 -236.03242 4.49636 1.84162 -236.54742 353.69823
8295.0000 -240.33539 -236.27001 4.06538 1.86446 -236.07852 368.00988
8300.0000 -241.17032 -236.51950 4.65082 1.85346 -236.30425 358.41763
8305.0000 -240.74380 -236.63558 4.10821 1.82253 -236.93924 333.09711
8310.0000 -241.07110 -236.36876 4.70234 1.85502 -236.27230 356.29096
8315.0000 -240.97363 -236.43309 4.54054 1.84530 -236.47176 351.03725
8320.0000 -240.52068 -236.13032 4.39036 1.82994 -236.78720 342.76321
8325.0000 -240.53246 -236.62867 3.90379 1.85366 -236.30030 357.94243
8330.0000 -240.26800 -235.85358 4.41442 1.86360 -236.09612 370.67756
8335.0000 -240.38937 -236.29444 4.09494 1.86536 -236.06015 364.65169
8340.0000 -241.09666 -237.06020 4.03646 1.82624 -236.86306 338.94615
8345.0000 -240.89530 -236.56383 4.33147 1.85226 -236.32904 358.21264
8350.0000 -241.44237 -237.35646 4.08591 1.81782 -237.03600 330.58431
8355.0000 -240.91577 -236.60725 4.30852 1.81446 -237.10484 327.17012
8360.0000 -241.17049 -236.53442 4.63607 1.84618 -236.45374 354.05642
8365.0000 -241.30763 -236.97978 4.32785 1.81067 -237.18277 324.53622
8370.0000 -240.67187 -236.69103 3.98084 1.82641 -236.85955 337.97733
8375.0000 -240.83837 -236.62076 4.21760 1.83830 -236.61552 347.65749
8380.0000 -240.93694 -237.18571 3.75123 1.82169 -236.95656 331.67286
8385.0000 -241.09027 -236.82451 4.26575 1.82256 -236.93871 333.49702
8390.0000 -240.73974 -235.99238 4.74736 1.85479 -236.27702 362.09889
8395.0000 -240.79787 -237.07072 3.72715 1.83867 -236.60786 348.44018
8400.0000 -240.86394 -236.82671 4.03723 1.81322 -237.13042 324.18211
8405.0000 -240.09182 -236.42810 3.66373 1.85264 -236.32123 357.84240
8410.0000 -240.52321 -236.43627 4.08695 1.83763 -236.62928 347.45042
8415.0000 -241.67589 -237.86733 3.80857 1.81594 -237.07448 330.38827
8420.0000 -240.40103 -236.10225 4.29879 1.82118 -236.96688 336.79709
8425.0000 -240.38152 -236.08591 4.29561 1.87139 -235.93625 373.40164
8430.0000 -239.68236 -235.86471 3.81765 1.87702 -235.82065 373.08640
8435.0000 -240.53914 -235.51540 5.02374 1.88146 -235.72956 376.52404
8440.0000 -240.45812 -235.99713 4.46100 1.88356 -235.68652 390.01020
8445.0000 -240.40912 -235.69762 4.71149 1.87254 -235.91271 372.11732
8450.0000 -241.35391 -237.67024 3.68367 1.83194 -236.74604 342.46022
8455.0000 -241.23995 -236.97815 4.26180 1.79369 -237.53117 313.15870
8460.0000 -240.73733 -236.33296 4.40437 1.85034 -236.36837 357.78785
8465.0000 -240.63037 -236.41630 4.21407 1.84577 -236.46220 352.16479
8470.0000 -240.65090 -236.25147 4.39943 1.85534 -236.26582 359.53936
8475.0000 -240.89125 -236.35258 4.53867 1.85011 -236.37307 355.46002
8480.0000 -240.03673 -235.93369 4.10305 1.85492 -236.27444 359.46528
8485.0000 -240.98312 -237.33686 3.64626 1.82206 -236.94894 335.56800
8490.0000 -241.08159 -237.13661 3.94498 1.80286 -237.34291 319.28394
8495.0000 -240.96884 -236.72681 4.24204 1.82284 -236.93279 335.47875
8500.0000 -240.18097 -235.66024 4.52073 1.83951 -236.59068 347.36724
FREEZING PROCESS: loop number 35 T-loop= 330.00000000000000
main_MD> interactions number 35 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33238 0.80256 0.65639
force_rgl> df(natom) -0.23679 1.77953 1.44690
8505.0000 -240.81755 -236.76520 4.05235 1.85955 -236.17933 360.51267
8510.0000 -240.55676 -236.68694 3.86981 1.83754 -236.63111 345.69789
8515.0000 -240.80179 -237.26744 3.53435 1.80798 -237.23797 321.46386
8520.0000 -241.13901 -237.22698 3.91203 1.79205 -237.56482 310.34573
8525.0000 -241.30370 -237.80205 3.50165 1.80312 -237.33766 315.92695
8530.0000 -240.80423 -236.51298 4.29125 1.78162 -237.77892 300.37501
8535.0000 -241.37706 -237.73403 3.64303 1.80861 -237.22505 323.59054
8540.0000 -241.41407 -237.90663 3.50744 1.79029 -237.60097 308.43454
8545.0000 -240.75680 -236.87163 3.88517 1.79067 -237.59318 311.56029
8550.0000 -241.29429 -236.95006 4.34422 1.80439 -237.31164 319.43650
8555.0000 -241.28973 -236.64951 4.64022 1.81844 -237.02323 330.05690
8560.0000 -240.54887 -237.04351 3.50536 1.82333 -236.92287 335.67825
8565.0000 -241.33684 -237.59598 3.74086 1.79626 -237.47857 311.77854
8570.0000 -241.35225 -238.26252 3.08973 1.77861 -237.84084 299.88014
8575.0000 -240.90465 -236.76376 4.14089 1.81242 -237.14673 327.70415
8580.0000 -240.90593 -236.74752 4.15842 1.83581 -236.66660 347.38159
8585.0000 -240.88185 -236.84456 4.03728 1.81578 -237.07770 332.88006
8590.0000 -240.89781 -237.13730 3.76051 1.82849 -236.81692 344.51585
8595.0000 -240.51342 -236.39709 4.11633 1.83998 -236.58106 347.22462
8600.0000 -240.99331 -237.33945 3.65386 1.82241 -236.94175 335.09909
8605.0000 -241.11934 -237.31235 3.80699 1.81705 -237.05167 331.13928
8610.0000 -240.97962 -236.87511 4.10451 1.83147 -236.75569 342.73337
8615.0000 -240.81179 -237.09841 3.71338 1.81565 -237.08046 329.11004
8620.0000 -241.05549 -236.92699 4.12851 1.82441 -236.90055 336.95083
8625.0000 -241.00146 -236.86255 4.13890 1.82011 -236.98892 333.22199
8630.0000 -241.49253 -237.65785 3.83468 1.79181 -237.56986 312.64355
8635.0000 -240.67474 -236.43421 4.24054 1.81592 -237.07488 330.95099
8640.0000 -241.10098 -237.26446 3.83652 1.82189 -236.95235 334.33262
8645.0000 -241.19296 -237.55703 3.63593 1.80345 -237.33096 319.28521
8650.0000 -241.76605 -238.06430 3.70175 1.77994 -237.81352 304.12141
8655.0000 -241.19806 -237.58824 3.60982 1.78433 -237.72333 304.28237
8660.0000 -241.20748 -237.68819 3.51929 1.77566 -237.90139 296.43621
8665.0000 -241.06001 -236.78718 4.27283 1.81024 -237.19146 326.51333
8670.0000 -240.94190 -236.41847 4.52342 1.86000 -236.17010 365.71831
8675.0000 -240.94037 -236.32482 4.61555 1.82414 -236.90614 333.66753
8680.0000 -241.27122 -237.53042 3.74080 1.83038 -236.77808 341.40316
8685.0000 -241.09607 -237.25238 3.84369 1.81832 -237.02560 330.87171
8690.0000 -241.20369 -237.20499 3.99870 1.81868 -237.01826 334.73012
8695.0000 -241.06559 -237.48039 3.58519 1.79213 -237.56321 306.66023
8700.0000 -240.94210 -237.03797 3.90413 1.81091 -237.17779 327.53903
8705.0000 -240.84904 -237.09447 3.75456 1.80435 -237.31249 320.09758
8710.0000 -240.71810 -237.48206 3.23604 1.80405 -237.31854 320.26714
8715.0000 -241.61139 -237.73767 3.87373 1.78028 -237.80654 300.55874
8720.0000 -241.25618 -237.12836 4.12782 1.80178 -237.36515 321.25279
8725.0000 -241.19546 -237.37099 3.82447 1.78750 -237.65825 306.86150
8730.0000 -241.38055 -237.72639 3.65416 1.79444 -237.51587 316.24106
8735.0000 -239.98990 -235.54187 4.44803 1.82174 -236.95549 334.42106
8740.0000 -241.32887 -236.89311 4.43575 1.84021 -236.57622 347.01092
8745.0000 -241.78741 -237.60117 4.18624 1.80825 -237.23232 324.92305
8750.0000 -241.29306 -237.73574 3.55731 1.78455 -237.71878 304.92115
FREEZING PROCESS: loop number 36 T-loop= 305.00000000000000
main_MD> interactions number 36 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86781 -0.93171 -1.86021
force_rgl> df(natom) -2.59079 -0.99087 -1.10568
8755.0000 -241.48028 -237.50528 3.97500 1.78491 -237.71139 306.44440
8760.0000 -241.81015 -237.97467 3.83548 1.77859 -237.84113 301.24649
8765.0000 -241.22711 -237.68874 3.53837 1.77642 -237.88572 298.72894
8770.0000 -241.22133 -237.45218 3.76914 1.80077 -237.38585 319.01876
8775.0000 -240.54370 -236.72824 3.81546 1.82270 -236.93580 335.75024
8780.0000 -241.14472 -237.43528 3.70944 1.80861 -237.22489 324.44191
8785.0000 -241.59549 -238.43076 3.16474 1.76075 -238.20730 285.82074
8790.0000 -241.80574 -238.54077 3.26497 1.76088 -238.20473 284.77956
8795.0000 -241.02491 -237.52682 3.49808 1.78537 -237.70201 305.46713
8800.0000 -241.31278 -237.75929 3.55349 1.79401 -237.52461 312.86518
8805.0000 -240.67768 -237.19401 3.48367 1.78108 -237.79014 303.76463
8810.0000 -241.35154 -237.27958 4.07196 1.81379 -237.11866 328.11723
8815.0000 -240.77768 -237.50604 3.27164 1.79410 -237.52279 313.89134
8820.0000 -240.88263 -237.81907 3.06357 1.78498 -237.70995 304.62338
8825.0000 -241.13753 -237.86704 3.27049 1.77318 -237.95222 295.78257
8830.0000 -241.27075 -237.75563 3.51511 1.78469 -237.71603 303.76710
8835.0000 -241.31527 -237.66833 3.64694 1.77375 -237.94043 297.62156
8840.0000 -241.63075 -238.03572 3.59503 1.77376 -237.94029 296.33897
8845.0000 -241.18514 -237.86974 3.31540 1.76922 -238.03360 293.05452
8850.0000 -241.44248 -238.03216 3.41032 1.76469 -238.12642 286.79925
8855.0000 -241.09140 -237.28599 3.80541 1.78294 -237.75180 298.54494
8860.0000 -241.65288 -238.25353 3.39936 1.76850 -238.04833 290.40521
8865.0000 -241.45023 -238.03299 3.41724 1.78108 -237.79012 303.04061
8870.0000 -241.79672 -238.12959 3.66713 1.76652 -238.08887 288.27052
8875.0000 -241.38735 -237.98507 3.40227 1.77062 -238.00477 292.30807
8880.0000 -241.16890 -237.59168 3.57722 1.78379 -237.73452 304.86006
8885.0000 -241.16758 -237.49306 3.67452 1.77974 -237.81753 300.22387
8890.0000 -241.33408 -237.33453 3.99955 1.79622 -237.47925 314.13038
8895.0000 -241.12512 -237.34000 3.78512 1.82209 -236.94823 332.93076
8900.0000 -241.16985 -237.66719 3.50266 1.77764 -237.86074 301.69115
8905.0000 -241.62971 -237.76495 3.86476 1.75934 -238.23638 286.01853
8910.0000 -241.47531 -237.25112 4.22419 1.79146 -237.57697 310.21688
8915.0000 -241.22723 -237.57801 3.64922 1.79586 -237.48660 313.02991
8920.0000 -241.80061 -237.95701 3.84361 1.76942 -238.02949 291.60757
8925.0000 -241.59566 -237.65959 3.93606 1.77797 -237.85399 303.75540
8930.0000 -240.95861 -237.36636 3.59225 1.80502 -237.29871 319.08001
8935.0000 -241.50403 -237.80478 3.69925 1.78834 -237.64094 307.69499
8940.0000 -242.36650 -238.36233 4.00417 1.77019 -238.01358 293.02949
8945.0000 -241.89467 -238.07640 3.81827 1.75693 -238.28585 282.22076
8950.0000 -241.62528 -238.26523 3.36004 1.75474 -238.33075 281.95414
8955.0000 -241.63583 -237.75446 3.88137 1.76756 -238.06762 290.71602
8960.0000 -241.44026 -238.04294 3.39731 1.77865 -237.83989 299.29928
8965.0000 -241.32640 -237.91716 3.40923 1.78148 -237.78192 301.56530
8970.0000 -241.69453 -237.93785 3.75668 1.78170 -237.77739 302.34006
8975.0000 -241.93490 -238.27742 3.65748 1.76759 -238.06692 292.09923
8980.0000 -241.21674 -237.83856 3.37818 1.76302 -238.16069 287.21049
8985.0000 -241.63184 -238.29746 3.33438 1.77576 -237.89933 300.23948
8990.0000 -241.62995 -238.17099 3.45896 1.75024 -238.42305 275.92986
8995.0000 -241.60321 -237.77848 3.82473 1.79077 -237.59108 308.70324
9000.0000 -241.90146 -238.19455 3.70691 1.78128 -237.78596 303.87017
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 50.4695391 [s].
main_MD> Deallocating global variables
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