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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_75/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_75.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 = 75 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 75 7500
main_MD> Size of nv and nvoiz: 75 7500
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 = 75
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> 1.5129337695239447E-002 1.0666113577801848E-002 7.1841465714346381E-002 initial drift of cluster / NP1 for coalescence
init> 0.27491394234225436 0.32390251093618294 0.31375254027932975 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6802858051509617E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85655 0.72628 -1.71387
force_rgl> df(natom) -6.55808 1.23844 -4.32825
preparo> THERMALIZATION PROCESS AT 1171.3351732035455
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -170.15522462599927 9.2722716996780452 -179.42749632567731 6.1125152443277937E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
FREEZING PROCESS: loop number 1 T-loop= 1150.0000000000000
main_MD> interactions number 1 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72871 -1.34329 -1.34305
force_rgl> df(natom) 2.61825 1.70242 0.62726
5.0000 -177.02920 -166.54763 10.48157 3.02739 -167.40940 1072.69278
10.0000 -177.70844 -165.95754 11.75090 3.06206 -166.79290 1119.38730
15.0000 -177.37713 -166.75483 10.62230 3.13538 -165.48890 1199.79814
20.0000 -176.46653 -164.94476 11.52176 3.10909 -165.95656 1147.24744
25.0000 -177.82819 -166.48199 11.34620 3.11215 -165.90206 1167.48561
30.0000 -176.08772 -163.77325 12.31447 3.09509 -166.20554 1186.02002
35.0000 -176.42599 -164.60115 11.82483 3.19563 -164.41739 1227.22546
40.0000 -175.91653 -164.53599 11.38054 3.23919 -163.64272 1246.35903
45.0000 -176.46781 -165.46463 11.00318 3.15680 -165.10802 1188.82736
50.0000 -179.13042 -167.29660 11.83382 3.07387 -166.58283 1135.17915
55.0000 -179.36421 -169.28732 10.07688 3.00289 -167.84528 1088.56089
60.0000 -175.46815 -166.12550 9.34265 3.02415 -167.46704 1120.05877
65.0000 -175.57353 -163.24975 12.32378 3.21576 -164.05948 1231.04082
70.0000 -176.62298 -164.36943 12.25356 3.15594 -165.12326 1206.41056
75.0000 -175.75265 -162.72245 13.03020 3.25168 -163.42065 1270.08249
80.0000 -178.30264 -166.16905 12.13360 3.16542 -164.95474 1196.37266
85.0000 -177.27806 -166.10970 11.16836 3.08973 -166.30075 1161.38636
90.0000 -177.79176 -165.60478 12.18698 3.09457 -166.21469 1149.64290
95.0000 -175.21186 -163.75980 11.45206 3.25690 -163.32775 1267.64458
100.0000 -176.18707 -163.64865 12.53842 3.17518 -164.78107 1210.97232
105.0000 -175.42980 -163.27120 12.15860 3.28527 -162.82316 1262.96742
110.0000 -178.69680 -166.34073 12.35607 3.17877 -164.71735 1195.88418
115.0000 -178.17527 -164.52827 13.64700 3.19589 -164.41279 1205.64669
120.0000 -175.18006 -162.56395 12.61611 3.24772 -163.49102 1252.60445
125.0000 -177.77431 -165.27067 12.50363 3.25708 -163.32465 1302.50064
130.0000 -177.49105 -167.04943 10.44162 3.10263 -166.07136 1166.73846
135.0000 -176.36938 -165.35624 11.01314 3.04678 -167.06467 1110.09420
140.0000 -176.34048 -164.14346 12.19702 3.21986 -163.98659 1217.06333
145.0000 -178.57016 -167.02453 11.54563 3.13117 -165.56379 1174.47945
150.0000 -178.64052 -167.72283 10.91769 3.02845 -167.39055 1119.75273
155.0000 -177.89955 -167.70978 10.18977 2.99628 -167.96285 1090.96539
160.0000 -176.46203 -166.62263 9.83940 3.08334 -166.41436 1145.13752
165.0000 -177.36030 -165.85199 11.50831 3.15376 -165.16203 1212.18318
170.0000 -177.79844 -166.46444 11.33400 3.11270 -165.89228 1145.92410
175.0000 -176.29626 -166.90285 9.39341 3.05393 -166.93741 1117.34904
180.0000 -178.11892 -168.47925 9.63967 3.00495 -167.80853 1121.77588
185.0000 -177.97327 -165.04672 12.92654 3.03978 -167.18913 1140.38691
190.0000 -178.33905 -167.13948 11.19957 3.09764 -166.16015 1151.13781
195.0000 -176.62306 -165.88266 10.74041 3.01765 -167.58274 1111.88678
200.0000 -177.09754 -165.59364 11.50390 3.24829 -163.48086 1262.03457
205.0000 -177.63432 -165.81573 11.81859 3.13211 -165.54707 1167.75867
210.0000 -176.43788 -165.41234 11.02554 3.17333 -164.81408 1227.24246
215.0000 -176.18930 -165.71742 10.47188 3.12669 -165.64344 1189.65578
220.0000 -177.67575 -168.62055 9.05520 3.01546 -167.62170 1111.63643
225.0000 -178.36229 -168.51065 9.85164 2.95630 -168.67378 1060.62004
230.0000 -178.31665 -168.29012 10.02653 2.96476 -168.52328 1082.17888
235.0000 -178.35624 -167.49660 10.85964 2.97680 -168.30927 1108.42626
240.0000 -177.71363 -165.50494 12.20869 3.02604 -167.43344 1109.06231
245.0000 -177.41624 -167.72871 9.68753 3.06556 -166.73060 1098.00601
250.0000 -178.90119 -169.00761 9.89358 3.04880 -167.02867 1134.69436
FREEZING PROCESS: loop number 2 T-loop= 1125.0000000000000
main_MD> interactions number 2 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84767 -9.70499 -3.44627
force_rgl> df(natom) -1.86659 -0.58952 1.13606
255.0000 -178.53128 -167.45991 11.07136 2.96768 -168.47147 1055.74144
260.0000 -175.82144 -165.14466 10.67679 3.10672 -165.99868 1154.35845
265.0000 -178.84115 -166.77197 12.06919 3.04372 -167.11906 1105.17728
270.0000 -180.04984 -169.32772 10.72212 3.03760 -167.22787 1108.56455
275.0000 -178.36386 -169.40294 8.96092 2.96843 -168.45806 1094.05679
280.0000 -181.00470 -171.00109 10.00361 2.89077 -169.83927 1034.22338
285.0000 -179.46999 -168.68976 10.78023 2.90569 -169.57378 1031.15745
290.0000 -178.57586 -168.62606 9.94981 2.85382 -170.49631 1005.16245
295.0000 -179.96359 -170.22266 9.74093 2.92484 -169.23334 1028.86412
300.0000 -178.33811 -168.43372 9.90439 2.98959 -168.08169 1084.64733
305.0000 -177.17627 -167.46401 9.71226 2.93234 -169.09996 1072.88378
310.0000 -178.59574 -168.50563 10.09011 3.03824 -167.21651 1109.88052
315.0000 -179.23478 -167.97662 11.25817 3.03997 -167.18569 1120.64158
320.0000 -178.32966 -168.87692 9.45275 3.00388 -167.82763 1109.48626
325.0000 -178.96859 -169.03172 9.93687 2.92641 -169.20535 1057.85717
330.0000 -180.40960 -168.34254 12.06706 2.98773 -168.11477 1084.29490
335.0000 -177.49812 -166.84153 10.65659 3.06152 -166.80258 1118.55749
340.0000 -177.75560 -167.62422 10.13137 3.00000 -167.89664 1113.11419
345.0000 -178.01551 -168.03153 9.98398 3.06368 -166.76406 1132.71424
350.0000 -178.24350 -167.96866 10.27484 2.99453 -167.99386 1086.98869
355.0000 -180.96533 -169.34628 11.61906 2.95326 -168.72783 1079.10141
360.0000 -175.09198 -164.07904 11.01294 3.08199 -166.43839 1142.40302
365.0000 -176.52504 -166.38949 10.13555 3.19178 -164.48591 1217.50563
370.0000 -177.94847 -166.73053 11.21793 3.05413 -166.93397 1126.92763
375.0000 -177.44611 -166.49897 10.94714 3.08388 -166.40478 1168.95114
380.0000 -180.34124 -168.73772 11.60352 3.02933 -167.37495 1142.66796
385.0000 -175.57491 -164.94891 10.62600 3.07254 -166.60648 1150.87593
390.0000 -178.58673 -165.44368 13.14305 3.15186 -165.19591 1203.61956
395.0000 -174.89474 -164.72923 10.16551 3.17375 -164.80658 1203.34427
400.0000 -178.64730 -168.42907 10.21824 3.09165 -166.26674 1164.22414
405.0000 -178.22681 -165.95574 12.27107 3.04706 -167.05963 1118.20387
410.0000 -176.12212 -165.14882 10.97330 3.06984 -166.65461 1148.20065
415.0000 -176.11962 -165.01431 11.10531 3.08194 -166.43934 1147.87000
420.0000 -178.53610 -167.06572 11.47038 3.15817 -165.08365 1227.53170
425.0000 -176.28689 -165.70954 10.57735 3.08282 -166.42371 1164.93460
430.0000 -176.28844 -164.46633 11.82211 3.10188 -166.08469 1177.40651
435.0000 -177.68896 -164.46066 13.22830 3.14521 -165.31407 1179.65073
440.0000 -175.53721 -165.86673 9.67048 3.15798 -165.08693 1172.57244
445.0000 -178.65431 -168.95189 9.70242 3.02208 -167.50391 1093.92393
450.0000 -177.60472 -167.80740 9.79731 2.99384 -168.00610 1057.79607
455.0000 -178.74004 -166.43569 12.30435 3.05609 -166.89914 1109.77553
460.0000 -178.77449 -167.76337 11.01111 2.97786 -168.29027 1112.38871
465.0000 -177.87283 -166.17751 11.69532 3.01935 -167.55248 1102.96246
470.0000 -177.40465 -166.08366 11.32099 3.06521 -166.73688 1166.77481
475.0000 -177.97663 -165.07496 12.90167 3.12871 -165.60756 1205.63792
480.0000 -178.59290 -168.95508 9.63782 3.06564 -166.72931 1098.65483
485.0000 -180.69710 -171.20571 9.49140 2.87741 -170.07688 1026.11269
490.0000 -179.08538 -168.58478 10.50060 2.91068 -169.48515 1033.65579
495.0000 -178.42432 -168.11981 10.30452 2.96444 -168.52908 1077.28783
500.0000 -178.34219 -167.61903 10.72316 2.97673 -168.31047 1100.85963
FREEZING PROCESS: loop number 3 T-loop= 1100.0000000000000
main_MD> interactions number 3 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.86375 1.60733 0.27475
force_rgl> df(natom) 0.58832 1.90399 -0.29091
505.0000 -177.49810 -167.03791 10.46019 3.01721 -167.59060 1108.50804
510.0000 -178.01191 -166.34137 11.67055 3.03360 -167.29901 1132.39875
515.0000 -180.09097 -169.86353 10.22744 2.98509 -168.16176 1093.53008
520.0000 -179.87737 -169.58133 10.29604 2.94407 -168.89120 1061.46413
525.0000 -178.16163 -169.45553 8.70610 2.93030 -169.13611 1068.69133
530.0000 -179.91515 -170.57924 9.33591 2.83104 -170.90150 985.59809
535.0000 -179.92400 -169.55611 10.36789 2.91717 -169.36968 1048.41739
540.0000 -178.69577 -169.53277 9.16300 2.88494 -169.94296 1024.99206
545.0000 -176.43667 -165.90541 10.53126 3.01374 -167.65223 1099.34435
550.0000 -180.19603 -169.25303 10.94299 3.02195 -167.50627 1080.02916
555.0000 -178.93559 -169.44419 9.49140 2.91154 -169.46983 1060.12873
560.0000 -177.16621 -165.22457 11.94165 3.02136 -167.51670 1102.07653
565.0000 -181.27432 -169.29441 11.97992 3.04149 -167.15864 1103.58220
570.0000 -177.79554 -167.31469 10.48085 3.03413 -167.28954 1094.15116
575.0000 -178.35107 -168.24337 10.10770 3.03782 -167.22395 1117.51076
580.0000 -177.44586 -167.15990 10.28595 3.00198 -167.86132 1094.04499
585.0000 -179.93585 -167.62817 12.30768 3.10275 -166.06917 1159.40922
590.0000 -177.26479 -166.85148 10.41331 3.09542 -166.19966 1183.08227
595.0000 -178.88383 -167.75015 11.13367 3.00307 -167.84197 1110.25138
600.0000 -177.97204 -167.40119 10.57085 3.02388 -167.47198 1096.27937
605.0000 -177.69184 -167.76099 9.93085 2.92500 -169.23039 1051.38591
610.0000 -179.19487 -168.24572 10.94915 2.97919 -168.26669 1099.58421
615.0000 -177.73345 -167.37721 10.35624 3.01496 -167.63049 1134.85573
620.0000 -177.54338 -168.48173 9.06165 3.01698 -167.59464 1107.69832
625.0000 -177.81864 -166.34027 11.47837 3.05033 -167.00148 1126.28081
630.0000 -176.47216 -165.55826 10.91390 3.11577 -165.83771 1188.25778
635.0000 -178.76491 -166.13248 12.63243 3.14784 -165.26734 1153.63257
640.0000 -179.27734 -167.42240 11.85494 3.07577 -166.54915 1144.07664
645.0000 -178.77100 -168.17067 10.60033 2.99471 -167.99063 1087.10307
650.0000 -177.20366 -164.60397 12.59969 3.00463 -167.81420 1080.67002
655.0000 -178.81072 -168.62581 10.18491 3.05830 -166.85978 1154.80045
660.0000 -177.87107 -166.55828 11.31279 3.04707 -167.05947 1127.34946
665.0000 -180.87548 -167.65940 13.21608 3.05322 -166.95018 1117.47819
670.0000 -178.89829 -168.85561 10.04268 2.96012 -168.60591 1078.08299
675.0000 -177.95992 -167.76465 10.19527 2.98588 -168.14765 1071.93455
680.0000 -177.98755 -167.08093 10.90662 3.00923 -167.73253 1095.56136
685.0000 -178.88993 -170.19536 8.69457 3.01632 -167.60639 1092.73002
690.0000 -178.30043 -168.72978 9.57065 2.92055 -169.30954 1014.83649
695.0000 -177.76270 -168.49932 9.26338 2.94472 -168.87976 1013.83140
700.0000 -177.02553 -165.95923 11.06631 3.01838 -167.56980 1067.50695
705.0000 -177.21254 -164.44687 12.76567 3.12486 -165.67594 1139.81343
710.0000 -174.28154 -162.41591 11.86563 3.26221 -163.23340 1212.97671
715.0000 -176.03776 -164.97574 11.06202 3.27294 -163.04245 1293.66876
720.0000 -176.32844 -165.87561 10.45283 3.09151 -166.26923 1155.20520
725.0000 -177.41487 -166.01524 11.39964 3.20139 -164.31495 1210.77461
730.0000 -178.79325 -167.64280 11.15045 3.04293 -167.13316 1107.74149
735.0000 -177.62415 -167.61108 10.01306 3.01475 -167.63431 1103.15337
740.0000 -176.32522 -165.59687 10.72836 3.05932 -166.84162 1141.65421
745.0000 -175.02773 -164.12797 10.89975 3.14103 -165.38846 1166.64316
750.0000 -179.52008 -167.86667 11.65340 3.07831 -166.50385 1164.91358
FREEZING PROCESS: loop number 4 T-loop= 1075.0000000000000
main_MD> interactions number 4 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.91443 -1.05119 2.19127
force_rgl> df(natom) -1.67390 1.46896 0.63287
755.0000 -177.93166 -168.77586 9.15581 2.98232 -168.21099 1065.50738
760.0000 -181.25446 -170.53102 10.72343 2.90261 -169.62872 1019.52190
765.0000 -180.00428 -170.92677 9.07751 2.79166 -171.60184 960.82482
770.0000 -177.87561 -169.20596 8.66966 2.89752 -169.71922 1003.31735
775.0000 -177.58365 -167.50409 10.07955 2.99778 -167.93603 1078.35768
780.0000 -178.92995 -168.99615 9.93380 2.97230 -168.38918 1086.27455
785.0000 -176.08901 -165.13979 10.94922 3.04447 -167.10577 1087.17981
790.0000 -177.53570 -167.24845 10.28725 3.07466 -166.56880 1136.32221
795.0000 -179.80156 -171.20900 8.59256 2.94639 -168.85003 1069.22463
800.0000 -178.62360 -169.84459 8.77901 2.86751 -170.25283 967.21033
805.0000 -178.96265 -168.02173 10.94091 2.95932 -168.62009 1077.20162
810.0000 -177.88353 -166.86379 11.01973 3.03992 -167.18672 1149.01389
815.0000 -178.20482 -166.48406 11.72076 3.10455 -166.03715 1157.16131
820.0000 -176.02057 -163.35267 12.66789 3.20298 -164.28667 1241.53369
825.0000 -177.58924 -166.71849 10.87075 3.10008 -166.11675 1124.91809
830.0000 -179.03172 -166.67451 12.35721 3.15250 -165.18442 1144.20448
835.0000 -177.08633 -167.14231 9.94402 3.02886 -167.38337 1108.73536
840.0000 -180.50970 -171.45029 9.05940 3.00425 -167.82094 1102.89435
845.0000 -180.69007 -171.03317 9.65689 2.81274 -171.22699 943.78791
850.0000 -178.85077 -170.44716 8.40360 2.90179 -169.64316 1030.75218
855.0000 -178.10249 -166.98224 11.12026 2.97233 -168.38868 1060.59142
860.0000 -179.58060 -167.92952 11.65108 3.00621 -167.78611 1109.20505
865.0000 -177.78581 -167.95434 9.83147 2.96158 -168.57996 1079.34517
870.0000 -177.94410 -167.58214 10.36195 3.04350 -167.12291 1104.01915
875.0000 -180.45899 -169.40016 11.05883 3.02993 -167.36437 1114.66908
880.0000 -179.29464 -168.45467 10.83997 2.87192 -170.17437 973.64138
885.0000 -179.96345 -169.94066 10.02280 2.89240 -169.81026 999.43066
890.0000 -177.70052 -167.61074 10.08979 2.94797 -168.82184 1037.24310
895.0000 -179.12879 -168.66353 10.46526 2.97108 -168.41090 1059.16636
900.0000 -179.87765 -167.24882 12.62883 2.99402 -168.00288 1059.03919
905.0000 -179.73074 -169.67273 10.05801 2.95064 -168.77448 1086.14546
910.0000 -179.46751 -166.63202 12.83549 2.96941 -168.44064 1070.56331
915.0000 -179.67697 -169.76777 9.90920 3.04583 -167.08148 1127.18856
920.0000 -176.91729 -166.91274 10.00454 3.02352 -167.47830 1090.54221
925.0000 -177.23287 -165.73574 11.49712 3.11910 -165.77855 1161.11726
930.0000 -176.68136 -166.99769 9.68367 3.11542 -165.84399 1167.25976
935.0000 -178.52343 -168.06297 10.46046 3.03367 -167.29786 1093.31449
940.0000 -178.43602 -168.05130 10.38472 2.97256 -168.38469 1061.37377
945.0000 -178.23219 -169.22091 9.01128 2.89836 -169.70413 1010.48361
950.0000 -177.68225 -167.76191 9.92034 2.96962 -168.43697 1072.92660
955.0000 -178.91452 -169.08317 9.83135 2.95347 -168.72411 1045.92859
960.0000 -178.59214 -167.61047 10.98167 2.95132 -168.76236 1081.90579
965.0000 -178.33339 -169.02621 9.30718 3.01134 -167.69496 1099.74378
970.0000 -178.47289 -166.43932 12.03357 3.04135 -167.16130 1103.06935
975.0000 -175.34628 -164.86797 10.47831 3.06958 -166.65907 1109.65279
980.0000 -177.13358 -165.85731 11.27626 3.13498 -165.49607 1160.31193
985.0000 -179.04526 -169.83814 9.20712 2.98522 -168.15946 1093.76882
990.0000 -180.94098 -170.47029 10.47069 2.89865 -169.69900 1020.02623
995.0000 -180.00903 -169.42625 10.58278 2.88918 -169.86745 1005.79547
1000.0000 -180.81514 -169.34284 11.47230 2.91585 -169.39323 1039.24338
FREEZING PROCESS: loop number 5 T-loop= 1050.0000000000000
main_MD> interactions number 5 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.33470 -0.90084 0.34093
force_rgl> df(natom) 0.50194 -2.27675 2.77525
1005.0000 -177.88770 -168.85216 9.03554 2.94353 -168.90086 1092.50265
1010.0000 -181.48636 -172.35843 9.12793 2.83114 -170.89975 975.96270
1015.0000 -180.87968 -173.12254 7.75714 2.76450 -172.08485 936.41441
1020.0000 -180.90399 -171.16657 9.73742 2.76729 -172.03529 954.41525
1025.0000 -178.89882 -169.25209 9.64672 2.86494 -170.29856 1021.86906
1030.0000 -178.38490 -167.00030 11.38460 2.97953 -168.26062 1102.21719
1035.0000 -176.96520 -167.21352 9.75168 2.95254 -168.74068 1054.90989
1040.0000 -178.98657 -168.42252 10.56405 3.04709 -167.05912 1143.16097
1045.0000 -180.35573 -170.96305 9.39267 2.93419 -169.06692 1032.54023
1050.0000 -181.34897 -171.35375 9.99522 2.83648 -170.80468 986.91186
1055.0000 -179.39288 -169.31961 10.07327 2.87476 -170.12394 1015.94835
1060.0000 -180.87536 -171.52586 9.34950 2.90777 -169.53691 1036.47653
1065.0000 -180.27532 -171.94866 8.32666 2.74870 -172.36590 946.67700
1070.0000 -181.91539 -172.46478 9.45061 2.72564 -172.77591 924.89598
1075.0000 -180.74050 -171.73797 9.00253 2.74912 -172.35830 950.96720
1080.0000 -181.12757 -171.68955 9.43803 2.75920 -172.17906 915.99657
1085.0000 -179.49013 -169.34442 10.14571 2.88734 -169.90020 1041.31480
1090.0000 -179.45851 -170.05306 9.40544 2.92290 -169.26778 1024.33277
1095.0000 -180.81609 -170.65863 10.15746 2.84714 -170.61515 988.73599
1100.0000 -179.33376 -168.88409 10.44968 2.84120 -170.72078 1013.62796
1105.0000 -179.31605 -167.81881 11.49724 2.90380 -169.60745 1029.70248
1110.0000 -178.67296 -167.86568 10.80728 3.01571 -167.61718 1098.28531
1115.0000 -177.15510 -167.99056 9.16454 3.00579 -167.79371 1103.88459
1120.0000 -178.73135 -166.11777 12.61358 3.02332 -167.48190 1137.04395
1125.0000 -177.31236 -165.68779 11.62458 3.14342 -165.34594 1188.08997
1130.0000 -177.95211 -166.77793 11.17419 3.09531 -166.20159 1192.23105
1135.0000 -179.56960 -169.99711 9.57250 3.03322 -167.30572 1109.44805
1140.0000 -176.40808 -166.44189 9.96619 2.99380 -168.00680 1080.38797
1145.0000 -178.53652 -168.33529 10.20124 3.07227 -166.61136 1135.14273
1150.0000 -180.25346 -170.91929 9.33417 2.88165 -170.00135 1021.48717
1155.0000 -177.11722 -166.87833 10.23889 3.01024 -167.71454 1101.20314
1160.0000 -177.41862 -167.14027 10.27835 3.05435 -166.92999 1109.69715
1165.0000 -179.19111 -168.40853 10.78258 2.98546 -168.15513 1076.62908
1170.0000 -177.61769 -168.78175 8.83593 2.97060 -168.41951 1040.93528
1175.0000 -179.92709 -169.20461 10.72249 2.95870 -168.63117 1044.95034
1180.0000 -178.36310 -169.18393 9.17917 2.95562 -168.68587 1055.84706
1185.0000 -177.13206 -166.67360 10.45846 3.01540 -167.62272 1110.90643
1190.0000 -177.51840 -168.39912 9.11927 3.02647 -167.42590 1100.94765
1195.0000 -177.55473 -167.68925 9.86549 3.02588 -167.43625 1135.61515
1200.0000 -178.34572 -168.51142 9.83430 3.00525 -167.80324 1090.55981
1205.0000 -180.20909 -169.53745 10.67165 2.94425 -168.88803 1058.98589
1210.0000 -178.93607 -169.52561 9.41046 2.89067 -169.84091 1022.53955
1215.0000 -178.68293 -169.65150 9.03143 2.95029 -168.78070 1057.01592
1220.0000 -179.01029 -168.23621 10.77407 2.94911 -168.80169 1051.66893
1225.0000 -177.77487 -166.88341 10.89146 3.04058 -167.17493 1120.25887
1230.0000 -178.96181 -169.25550 9.70631 3.02492 -167.45347 1140.31161
1235.0000 -181.20039 -170.61039 10.59000 2.93602 -169.03438 1064.10295
1240.0000 -180.38065 -169.52626 10.85439 2.84171 -170.71172 1010.97002
1245.0000 -180.59032 -170.19191 10.39842 2.91949 -169.32840 1033.74249
1250.0000 -180.41739 -170.00733 10.41006 2.93805 -168.99833 1059.34402
FREEZING PROCESS: loop number 6 T-loop= 1025.0000000000000
main_MD> interactions number 6 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27630 -1.39763 -0.62774
force_rgl> df(natom) 1.07192 -0.35801 0.87507
1255.0000 -178.87299 -168.45026 10.42273 2.92398 -169.24849 1024.22927
1260.0000 -178.81041 -169.18462 9.62579 2.93244 -169.09816 1050.59929
1265.0000 -179.46019 -169.64476 9.81544 2.88140 -170.00577 994.65299
1270.0000 -178.52758 -168.76644 9.76115 2.94353 -168.90087 1033.18674
1275.0000 -179.51114 -171.59674 7.91440 2.86881 -170.22969 979.78520
1280.0000 -179.06766 -168.50215 10.56550 2.82593 -170.99232 955.84438
1285.0000 -178.85528 -168.16966 10.68562 2.96446 -168.52874 1067.43169
1290.0000 -181.11523 -170.41344 10.70179 2.90725 -169.54617 1044.32981
1295.0000 -181.10427 -171.28196 9.82232 2.87833 -170.06039 997.09828
1300.0000 -181.61384 -171.90102 9.71281 2.76555 -172.06617 940.61751
1305.0000 -182.00495 -172.75214 9.25282 2.80170 -171.42322 947.96506
1310.0000 -182.97803 -173.18882 9.78922 2.69108 -173.39061 865.87108
1315.0000 -179.93162 -171.38531 8.54631 2.77693 -171.86380 949.40133
1320.0000 -178.28972 -167.98582 10.30390 2.93204 -169.10519 1031.29132
1325.0000 -179.08488 -169.79375 9.29112 2.99767 -167.93796 1100.03815
1330.0000 -178.48904 -168.43678 10.05227 2.92786 -169.17961 1033.77280
1335.0000 -178.25542 -167.68602 10.56940 2.99938 -167.90766 1097.03773
1340.0000 -177.09018 -167.39518 9.69500 3.02609 -167.43260 1100.66330
1345.0000 -180.84860 -170.04731 10.80129 2.99426 -167.99876 1068.70367
1350.0000 -180.02759 -169.84989 10.17770 2.86749 -170.25327 1009.87388
1355.0000 -180.60554 -170.60837 9.99717 2.87146 -170.18270 1008.17606
1360.0000 -179.86877 -170.49783 9.37094 2.89578 -169.75017 1021.10386
1365.0000 -179.11415 -169.31725 9.79689 2.86299 -170.33332 1001.53847
1370.0000 -179.58278 -169.82772 9.75506 2.90393 -169.60520 1025.38927
1375.0000 -178.41208 -168.37574 10.03634 2.96107 -168.58890 1068.30143
1380.0000 -179.30854 -168.44724 10.86130 2.99784 -167.93499 1104.72116
1385.0000 -181.00466 -170.89839 10.10627 2.89906 -169.69171 1035.44400
1390.0000 -179.57991 -170.87046 8.70945 2.85829 -170.41685 999.95340
1395.0000 -181.42624 -171.51886 9.90738 2.82419 -171.02329 984.29091
1400.0000 -179.18128 -170.30149 8.87979 2.86212 -170.34880 1005.46633
1405.0000 -180.36490 -170.14254 10.22236 2.84004 -170.74140 969.15825
1410.0000 -180.80087 -172.42984 8.37104 2.88436 -169.95322 1003.16048
1415.0000 -180.13131 -171.24788 8.88344 2.75262 -172.29615 919.78175
1420.0000 -180.17251 -171.04474 9.12777 2.82420 -171.02319 926.38867
1425.0000 -178.87307 -169.36547 9.50759 2.86544 -170.28966 1013.77436
1430.0000 -179.88485 -170.42117 9.46368 2.90190 -169.64126 1004.89052
1435.0000 -181.63247 -171.73020 9.90227 2.77607 -171.87906 935.66313
1440.0000 -179.33820 -170.04978 9.28842 2.85837 -170.41547 1003.61982
1445.0000 -180.43226 -171.17190 9.26036 2.88027 -170.02598 998.23760
1450.0000 -178.43015 -169.45246 8.97769 2.83120 -170.89870 988.88246
1455.0000 -180.26948 -170.25387 10.01561 2.92075 -169.30605 1045.18867
1460.0000 -175.67301 -167.12461 8.54840 2.93798 -168.99962 1037.99424
1465.0000 -180.63329 -170.05506 10.57823 2.94216 -168.92520 1071.49081
1470.0000 -180.19225 -169.95007 10.24218 2.84091 -170.72589 993.12141
1475.0000 -177.97808 -167.92161 10.05647 2.93584 -169.03766 1050.26213
1480.0000 -178.78524 -168.10378 10.68146 3.03223 -167.32344 1123.34445
1485.0000 -181.02480 -169.51884 11.50596 2.95106 -168.76706 1061.19714
1490.0000 -179.05622 -168.06830 10.98791 2.93614 -169.03230 1071.14060
1495.0000 -178.44909 -168.15479 10.29430 2.95930 -168.62046 1051.85439
1500.0000 -179.34357 -168.69653 10.64703 2.99620 -167.96417 1095.54115
FREEZING PROCESS: loop number 7 T-loop= 1000.0000000000000
main_MD> interactions number 7 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21870 -0.16842 7.39602
force_rgl> df(natom) -2.33354 -0.55566 -6.05482
1505.0000 -179.25491 -168.69108 10.56383 2.96565 -168.50751 1077.33831
1510.0000 -178.94003 -170.41360 8.52643 2.88969 -169.85841 1047.81986
1515.0000 -181.87936 -170.61965 11.25971 2.84518 -170.65003 1006.13100
1520.0000 -180.90913 -171.28537 9.62376 2.84208 -170.70506 1015.03112
1525.0000 -180.59285 -171.48250 9.11035 2.84806 -170.59875 996.11484
1530.0000 -180.29174 -170.54423 9.74751 2.83729 -170.79023 991.78914
1535.0000 -180.42819 -170.77348 9.65471 2.83210 -170.88258 987.07922
1540.0000 -180.61422 -172.20718 8.40704 2.81465 -171.19299 978.91770
1545.0000 -180.91204 -170.44759 10.46446 2.86302 -170.33269 1006.16553
1550.0000 -178.67431 -169.05421 9.62010 2.88751 -169.89715 983.68998
1555.0000 -179.49712 -169.82483 9.67229 2.88991 -169.85444 1003.96768
1560.0000 -179.35792 -169.72512 9.63280 2.92004 -169.31861 1029.33532
1565.0000 -182.36759 -173.53508 8.83251 2.84279 -170.69250 991.38055
1570.0000 -181.29343 -172.28175 9.01168 2.65271 -174.07298 870.29640
1575.0000 -179.57318 -167.98718 11.58600 2.94278 -168.91415 1066.98183
1580.0000 -179.63859 -170.11284 9.52575 3.01040 -167.71168 1069.51387
1585.0000 -178.62533 -167.75205 10.87328 2.97836 -168.28139 1069.63384
1590.0000 -178.24048 -168.46335 9.77713 3.01195 -167.68405 1102.32449
1595.0000 -179.84161 -170.66425 9.17736 2.91935 -169.33090 1044.60389
1600.0000 -182.10797 -173.00133 9.10664 2.82315 -171.04171 989.62851
1605.0000 -181.58040 -171.55967 10.02073 2.74851 -172.36928 928.71925
1610.0000 -181.11392 -171.83910 9.27482 2.78966 -171.63745 933.61937
1615.0000 -178.22038 -168.44814 9.77225 2.81788 -171.13555 944.08225
1620.0000 -180.71374 -169.42583 11.28791 2.93915 -168.97883 1016.28461
1625.0000 -180.83644 -170.27639 10.56006 2.91353 -169.43438 1044.89650
1630.0000 -181.04063 -171.87141 9.16922 2.81324 -171.21811 963.92685
1635.0000 -180.73826 -172.46652 8.27174 2.77475 -171.90249 967.78927
1640.0000 -180.63585 -171.16042 9.47544 2.82007 -171.09659 985.48344
1645.0000 -179.50311 -169.80610 9.69700 2.85603 -170.45711 1008.96838
1650.0000 -179.69055 -169.83663 9.85392 2.88649 -169.91529 997.57915
1655.0000 -180.13524 -169.02996 11.10528 2.88874 -169.87528 1011.29508
1660.0000 -178.60684 -169.77033 8.83651 2.88375 -169.96405 1005.68231
1665.0000 -177.77256 -166.76964 11.00292 2.98502 -168.16296 1079.41053
1670.0000 -177.57328 -169.68984 7.88344 2.98867 -168.09807 1033.63467
1675.0000 -179.67422 -169.55605 10.11818 2.98638 -168.13890 1115.07344
1680.0000 -180.93601 -170.64040 10.29561 2.88557 -169.93169 979.93942
1685.0000 -180.64545 -169.75037 10.89508 2.83062 -170.90900 976.42302
1690.0000 -181.69351 -171.27356 10.41995 2.79382 -171.56342 933.57434
1695.0000 -180.60369 -171.38566 9.21803 2.85461 -170.48229 1006.47967
1700.0000 -181.11014 -171.59281 9.51733 2.77624 -171.87612 925.64227
1705.0000 -177.77161 -168.62263 9.14898 2.84913 -170.57979 966.03308
1710.0000 -179.58467 -170.53926 9.04541 2.94273 -168.91514 1075.20794
1715.0000 -180.40639 -170.29824 10.10815 2.92875 -169.16382 1031.99621
1720.0000 -179.94691 -170.75405 9.19285 2.87891 -170.05018 1014.53369
1725.0000 -181.24774 -171.81391 9.43383 2.76482 -172.07916 949.72877
1730.0000 -180.83717 -171.14181 9.69536 2.83475 -170.83543 1012.52315
1735.0000 -179.94159 -169.53680 10.40480 2.86307 -170.33190 1005.77063
1740.0000 -178.33080 -168.42259 9.90821 2.94499 -168.87489 1063.67351
1745.0000 -178.64170 -169.85170 8.79000 2.89482 -169.76724 995.90825
1750.0000 -182.12370 -171.62977 10.49393 2.79004 -171.63066 958.18296
FREEZING PROCESS: loop number 8 T-loop= 975.00000000000000
main_MD> interactions number 8 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.25716 -0.60621 -0.44999
force_rgl> df(natom) -0.61089 1.68812 -2.11459
1755.0000 -182.44958 -172.97750 9.47209 2.77477 -171.90212 920.77115
1760.0000 -180.02363 -170.94113 9.08250 2.79152 -171.60428 972.04027
1765.0000 -181.94142 -172.56820 9.37323 2.81031 -171.27012 977.58859
1770.0000 -179.77549 -170.18165 9.59384 2.78409 -171.73642 976.61680
1775.0000 -180.66834 -171.21030 9.45804 2.86277 -170.33714 1021.03458
1780.0000 -181.20533 -172.25234 8.95298 2.74888 -172.36271 910.80591
1785.0000 -180.28667 -170.75282 9.53385 2.80431 -171.37679 956.08951
1790.0000 -180.68659 -171.11447 9.57212 2.83868 -170.76566 965.37730
1795.0000 -180.68076 -170.81566 9.86510 2.83749 -170.78683 981.56288
1800.0000 -181.27147 -172.12742 9.14405 2.79516 -171.53957 968.94968
1805.0000 -181.79966 -171.71398 10.08568 2.76365 -172.09987 933.64458
1810.0000 -182.21961 -172.34096 9.87865 2.81895 -171.11644 959.28061
1815.0000 -180.65865 -171.87766 8.78099 2.72057 -172.86618 904.88004
1820.0000 -181.38994 -173.53521 7.85473 2.72240 -172.83353 904.56451
1825.0000 -181.88785 -171.84186 10.04599 2.69413 -173.33632 882.44316
1830.0000 -181.42031 -171.30949 10.11082 2.80215 -171.41525 954.38499
1835.0000 -180.77008 -172.60510 8.16498 2.72839 -172.72705 900.86308
1840.0000 -180.91276 -170.47473 10.43804 2.84526 -170.64852 969.72051
1845.0000 -182.48444 -172.72793 9.75651 2.80205 -171.41712 948.11335
1850.0000 -181.61295 -170.63649 10.97646 2.74497 -172.43214 924.50865
1855.0000 -181.19107 -172.05947 9.13159 2.80105 -171.43488 942.08119
1860.0000 -182.13589 -172.09929 10.03659 2.73151 -172.67156 918.11769
1865.0000 -181.05032 -171.01181 10.03851 2.75874 -172.18723 921.77709
1870.0000 -179.86409 -170.23090 9.63320 2.79379 -171.56388 966.33763
1875.0000 -182.08230 -173.06170 9.02060 2.81683 -171.15410 972.10340
1880.0000 -181.11620 -172.94660 8.16960 2.74823 -172.37413 935.51940
1885.0000 -179.45087 -171.19238 8.25849 2.77162 -171.95820 914.87619
1890.0000 -181.32342 -171.25003 10.07339 2.82567 -170.99690 962.56410
1895.0000 -179.26796 -171.29129 7.97667 2.80514 -171.36207 970.93953
1900.0000 -180.08725 -169.28087 10.80639 2.87776 -170.07054 1019.87574
1905.0000 -179.18694 -169.71444 9.47251 2.93366 -169.07644 1024.24587
1910.0000 -180.84179 -170.40383 10.43796 2.87506 -170.11863 1007.75044
1915.0000 -178.29237 -168.97703 9.31533 2.90385 -169.60650 1010.94574
1920.0000 -178.11430 -168.54142 9.57288 2.87985 -170.03333 1001.21374
1925.0000 -179.71581 -171.22583 8.48998 2.89430 -169.77638 948.54620
1930.0000 -179.98543 -170.68077 9.30466 2.80770 -171.31657 965.02607
1935.0000 -178.98587 -170.96326 8.02261 2.83415 -170.84613 967.79767
1940.0000 -182.52867 -172.78365 9.74502 2.78109 -171.78987 952.00331
1945.0000 -181.04692 -170.77829 10.26863 2.82063 -171.08667 964.45121
1950.0000 -180.39935 -170.40747 9.99188 2.83345 -170.85853 986.73284
1955.0000 -177.24923 -166.47572 10.77351 2.94000 -168.96359 1047.26205
1960.0000 -179.30555 -169.56745 9.73809 2.95558 -168.68667 1076.09434
1965.0000 -181.73227 -171.96734 9.76493 2.88829 -169.88330 1009.00132
1970.0000 -182.27426 -173.36736 8.90690 2.75075 -172.32943 948.74906
1975.0000 -181.66307 -172.76261 8.90046 2.65878 -173.96497 877.78256
1980.0000 -179.53275 -169.47607 10.05668 2.85835 -170.41581 990.35888
1985.0000 -180.36797 -171.11960 9.24837 2.84369 -170.67649 994.11036
1990.0000 -180.61966 -171.32882 9.29084 2.82021 -171.09412 989.13389
1995.0000 -181.44237 -172.64054 8.80183 2.77480 -171.90166 958.94563
2000.0000 -182.40072 -174.68795 7.71277 2.65145 -174.09537 882.94912
FREEZING PROCESS: loop number 9 T-loop= 950.00000000000000
main_MD> interactions number 9 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.09701 1.01232 -0.84046
force_rgl> df(natom) -0.47749 0.63549 1.71460
2005.0000 -183.95427 -175.06732 8.88694 2.62044 -174.64686 863.36406
2010.0000 -182.11090 -173.92803 8.18287 2.65596 -174.01519 889.42074
2015.0000 -183.16734 -174.09326 9.07408 2.68120 -173.56637 879.75526
2020.0000 -181.12898 -172.82418 8.30480 2.66530 -173.84898 876.59239
2025.0000 -182.32142 -173.91577 8.40565 2.65806 -173.97783 874.40069
2030.0000 -182.55073 -173.40848 9.14226 2.71663 -172.93613 903.81056
2035.0000 -182.23696 -172.75829 9.47867 2.74338 -172.46040 928.83506
2040.0000 -179.10065 -170.01135 9.08929 2.78297 -171.75629 987.53597
2045.0000 -180.34214 -173.06846 7.27368 2.80546 -171.35632 973.67600
2050.0000 -180.54265 -171.62431 8.91834 2.73293 -172.64636 924.48362
2055.0000 -179.63085 -169.77814 9.85271 2.85413 -170.49081 1036.87841
2060.0000 -180.41349 -170.14269 10.27080 2.88934 -169.86462 1020.24805
2065.0000 -182.41357 -173.41755 8.99601 2.80586 -171.34936 957.01285
2070.0000 -182.86624 -173.98756 8.87868 2.68465 -173.50492 896.13464
2075.0000 -182.17037 -172.81173 9.35864 2.66876 -173.78748 878.66445
2080.0000 -178.74621 -168.30787 10.43834 2.82779 -170.95927 964.16776
2085.0000 -179.73078 -170.04440 9.68638 2.88977 -169.85705 1039.23105
2090.0000 -178.46628 -168.07926 10.38702 2.90131 -169.65168 1016.11512
2095.0000 -180.85442 -171.28576 9.56865 2.90606 -169.56729 1008.01897
2100.0000 -180.66923 -171.32214 9.34709 2.84456 -170.66104 969.12909
2105.0000 -182.05341 -172.86839 9.18502 2.74342 -172.45982 887.95454
2110.0000 -180.91219 -171.36662 9.54556 2.77636 -171.87393 954.18254
2115.0000 -181.68221 -171.64025 10.04195 2.80199 -171.41815 994.74275
2120.0000 -181.59121 -173.40053 8.19068 2.81670 -171.15650 968.97183
2125.0000 -181.44092 -172.02047 9.42046 2.74323 -172.46320 919.60132
2130.0000 -180.14635 -170.04512 10.10123 2.78718 -171.68149 954.85130
2135.0000 -179.87396 -170.85697 9.01699 2.82826 -170.95090 1014.79577
2140.0000 -181.74811 -170.54534 11.20277 2.84508 -170.65179 975.51777
2145.0000 -180.04044 -169.67092 10.36952 2.86745 -170.25393 1010.25338
2150.0000 -179.34736 -169.89647 9.45089 2.86113 -170.36638 1029.66052
2155.0000 -180.21678 -171.52752 8.68926 2.83148 -170.89371 944.30518
2160.0000 -181.10923 -172.58585 8.52338 2.79574 -171.52928 960.81285
2165.0000 -180.80708 -171.05256 9.75452 2.77334 -171.92763 967.14315
2170.0000 -180.56216 -171.01598 9.54618 2.83580 -170.81689 993.03520
2175.0000 -180.81794 -171.10667 9.71127 2.82256 -171.05229 999.52610
2180.0000 -180.16565 -171.34965 8.81600 2.84699 -170.61778 994.37181
2185.0000 -181.63947 -173.40421 8.23526 2.72336 -172.81658 905.12873
2190.0000 -181.62246 -172.34404 9.27842 2.68424 -173.51214 872.36165
2195.0000 -181.12978 -172.68879 8.44099 2.71580 -172.95096 883.31235
2200.0000 -181.23378 -170.14918 11.08460 2.79345 -171.56998 952.56791
2205.0000 -179.88399 -170.28861 9.59538 2.85066 -170.55249 1010.73281
2210.0000 -181.21468 -170.98227 10.23241 2.81867 -171.12154 951.01104
2215.0000 -182.76614 -173.43837 9.32777 2.75486 -172.25621 932.79645
2220.0000 -182.38530 -172.45547 9.92983 2.73067 -172.68641 924.66502
2225.0000 -179.10243 -170.85236 8.25007 2.75095 -172.32576 925.39721
2230.0000 -180.31773 -171.55867 8.75906 2.78875 -171.65350 943.26789
2235.0000 -180.99431 -171.89174 9.10257 2.79471 -171.54760 950.40937
2240.0000 -181.76360 -173.58571 8.17789 2.79559 -171.53199 955.38508
2245.0000 -182.02286 -171.99961 10.02326 2.71645 -172.93941 918.65464
2250.0000 -180.61064 -170.28931 10.32133 2.83188 -170.88649 984.30506
FREEZING PROCESS: loop number 10 T-loop= 925.00000000000000
main_MD> interactions number 10 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04990 -3.12338 -0.49741
force_rgl> df(natom) -1.23467 0.82486 -1.79313
2255.0000 -182.61363 -172.24134 10.37229 2.79551 -171.53338 967.16679
2260.0000 -180.88181 -171.48046 9.40135 2.77115 -171.96661 932.58874
2265.0000 -181.37296 -170.75524 10.61772 2.79525 -171.53800 961.49956
2270.0000 -180.65176 -172.37903 8.27273 2.71672 -172.93454 923.29439
2275.0000 -181.63577 -173.04378 8.59199 2.70409 -173.15912 925.23381
2280.0000 -183.61587 -174.04942 9.56645 2.66470 -173.85980 881.39947
2285.0000 -179.14466 -169.38873 9.75593 2.75960 -172.17203 925.80635
2290.0000 -181.93753 -172.85767 9.07986 2.78858 -171.65651 963.08916
2295.0000 -179.48991 -170.11357 9.37634 2.82055 -171.08806 986.94416
2300.0000 -180.80402 -170.86520 9.93883 2.87403 -170.13696 1008.96429
2305.0000 -179.54681 -170.34786 9.19894 2.81840 -171.12635 966.67315
2310.0000 -180.81292 -172.08420 8.72872 2.86678 -170.26593 1028.54389
2315.0000 -182.58973 -173.44750 9.14223 2.73289 -172.64695 916.46658
2320.0000 -182.17757 -171.50490 10.67267 2.73283 -172.64800 898.87239
2325.0000 -182.32900 -174.65566 7.67334 2.66187 -173.91011 855.75633
2330.0000 -182.73833 -173.97636 8.76197 2.64211 -174.26150 861.09030
2335.0000 -182.75884 -174.68430 8.07454 2.67984 -173.59046 900.84560
2340.0000 -182.62327 -174.67106 7.95221 2.63690 -174.35411 865.76135
2345.0000 -182.32346 -174.07814 8.24532 2.62321 -174.59764 838.76773
2350.0000 -181.50057 -172.27509 9.22548 2.65153 -174.09389 871.54481
2355.0000 -180.75258 -172.72082 8.03176 2.75991 -172.16644 944.57933
2360.0000 -181.68098 -172.36855 9.31243 2.71972 -172.88127 908.69153
2365.0000 -180.76379 -172.51532 8.24847 2.76802 -172.02232 964.80146
2370.0000 -181.16962 -171.57486 9.59476 2.74508 -172.43021 929.14568
2375.0000 -181.59065 -173.17118 8.41948 2.76387 -172.09597 940.73517
2380.0000 -181.47761 -174.68623 6.79138 2.66236 -173.90143 848.43552
2385.0000 -179.04733 -170.85860 8.18873 2.68653 -173.47156 869.60936
2390.0000 -179.86362 -170.24077 9.62285 2.91848 -169.34641 1043.36876
2395.0000 -178.45209 -170.97587 7.47622 2.85182 -170.53198 1002.28019
2400.0000 -181.95517 -173.05712 8.89805 2.77241 -171.94417 916.08609
2405.0000 -181.66601 -173.19403 8.47198 2.72324 -172.81871 928.48399
2410.0000 -179.86083 -171.68637 8.17446 2.73686 -172.57636 956.59754
2415.0000 -179.76978 -169.90948 9.86030 2.86382 -170.31842 1022.56908
2420.0000 -180.97738 -171.77806 9.19932 2.82167 -171.06805 945.63713
2425.0000 -182.12421 -173.03106 9.09315 2.73342 -172.63761 919.36936
2430.0000 -181.07395 -171.75631 9.31764 2.74143 -172.49522 915.75450
2435.0000 -181.70038 -172.75444 8.94594 2.77607 -171.87915 942.70818
2440.0000 -182.26911 -173.92130 8.34782 2.64253 -174.25407 874.79917
2445.0000 -181.46489 -172.15854 9.30635 2.67914 -173.60292 899.52001
2450.0000 -181.02530 -172.26137 8.76393 2.72711 -172.74972 890.63156
2455.0000 -183.33476 -174.21900 9.11576 2.68637 -173.47440 859.13839
2460.0000 -180.76307 -172.59074 8.17233 2.68741 -173.45583 915.18050
2465.0000 -181.59861 -172.41542 9.18318 2.75139 -172.31804 913.61471
2470.0000 -180.27992 -170.48937 9.79055 2.79496 -171.54315 946.61901
2475.0000 -180.10282 -170.91355 9.18927 2.85697 -170.44023 1009.89937
2480.0000 -182.37849 -170.47767 11.90082 2.84182 -170.70971 996.11420
2485.0000 -179.39630 -171.84978 7.54652 2.84339 -170.68187 1010.47459
2490.0000 -182.15141 -173.70140 8.45000 2.69450 -173.32981 861.04047
2495.0000 -179.60184 -171.34238 8.25947 2.74079 -172.50645 913.50889
2500.0000 -182.85087 -173.61006 9.24081 2.76586 -172.06063 946.81826
FREEZING PROCESS: loop number 11 T-loop= 900.00000000000000
main_MD> interactions number 11 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.64557 1.42928 1.96601
force_rgl> df(natom) -0.98781 0.50089 2.01569
2505.0000 -180.67185 -172.36943 8.30242 2.68158 -173.55951 893.80896
2510.0000 -180.36350 -171.15474 9.20875 2.74220 -172.48144 931.57648
2515.0000 -182.39957 -173.22104 9.17852 2.71154 -173.02678 912.00904
2520.0000 -182.99539 -174.34696 8.64843 2.68993 -173.41103 894.42801
2525.0000 -182.16322 -174.10509 8.05813 2.65394 -174.05112 849.09838
2530.0000 -183.15768 -174.73832 8.41936 2.67847 -173.61493 862.29717
2535.0000 -183.75251 -175.61790 8.13461 2.56429 -175.64547 817.70647
2540.0000 -181.82235 -173.90736 7.91499 2.63503 -174.38736 845.61630
2545.0000 -181.26070 -172.12997 9.13073 2.69406 -173.33761 882.96293
2550.0000 -183.17303 -174.37542 8.79762 2.68580 -173.48455 884.92222
2555.0000 -179.32437 -170.50696 8.81741 2.75894 -172.18377 913.45857
2560.0000 -180.35308 -170.63588 9.71721 2.79243 -171.58819 958.48858
2565.0000 -181.37020 -170.99781 10.37238 2.80430 -171.37695 936.39509
2570.0000 -181.27149 -171.77786 9.49364 2.79981 -171.45679 944.34072
2575.0000 -182.14475 -173.04411 9.10064 2.75947 -172.17427 914.28951
2580.0000 -181.94976 -172.70656 9.24320 2.69483 -173.32396 920.41713
2585.0000 -180.85993 -170.31442 10.54551 2.81585 -171.17161 963.87963
2590.0000 -181.50404 -171.50711 9.99693 2.80205 -171.41703 962.74136
2595.0000 -179.56816 -170.64813 8.92003 2.85942 -170.39682 1006.26282
2600.0000 -180.70774 -172.84912 7.85862 2.75340 -172.28218 907.35906
2605.0000 -179.80129 -170.44463 9.35666 2.79159 -171.60306 948.48090
2610.0000 -180.53134 -171.21723 9.31411 2.79349 -171.56926 956.02260
2615.0000 -180.33670 -172.14004 8.19666 2.79197 -171.59632 967.38417
2620.0000 -183.14444 -174.32958 8.81486 2.66420 -173.86854 879.01207
2625.0000 -182.92881 -174.46863 8.46018 2.62938 -174.48785 866.43894
2630.0000 -182.99614 -174.30022 8.69592 2.62600 -174.54801 853.50310
2635.0000 -183.30440 -174.86273 8.44167 2.60513 -174.91913 808.88552
2640.0000 -183.29886 -173.72454 9.57432 2.67626 -173.65412 861.08139
2645.0000 -182.08535 -174.41529 7.67006 2.68005 -173.58683 858.85901
2650.0000 -182.56813 -174.42399 8.14414 2.62299 -174.60150 842.23594
2655.0000 -180.85901 -172.89508 7.96393 2.69838 -173.26081 900.38716
2660.0000 -182.00841 -173.18335 8.82506 2.71936 -172.88757 917.85270
2665.0000 -181.90616 -172.00262 9.90354 2.71934 -172.88795 912.96495
2670.0000 -180.47139 -171.77888 8.69251 2.76518 -172.07267 956.70658
2675.0000 -179.04465 -171.10387 7.94077 2.80435 -171.37610 972.14513
2680.0000 -180.06877 -171.81148 8.25729 2.75512 -172.25171 912.91818
2685.0000 -182.01198 -172.71055 9.30143 2.73376 -172.63161 878.78962
2690.0000 -181.88584 -171.70500 10.18084 2.70958 -173.06163 886.55238
2695.0000 -179.95068 -171.69362 8.25706 2.73975 -172.52500 899.37256
2700.0000 -182.71785 -174.42723 8.29062 2.73353 -172.63567 896.59245
2705.0000 -182.58635 -174.06867 8.51768 2.65795 -173.97977 862.61440
2710.0000 -180.92869 -172.11133 8.81736 2.70051 -173.22291 880.59503
2715.0000 -179.30746 -171.55624 7.75122 2.74169 -172.49045 891.40265
2720.0000 -182.40102 -172.23674 10.16428 2.73724 -172.56957 894.27055
2725.0000 -182.80497 -174.85375 7.95122 2.64932 -174.13333 843.96179
2730.0000 -182.56553 -174.74066 7.82486 2.60712 -174.88371 832.23171
2735.0000 -182.25810 -173.52441 8.73368 2.66956 -173.77338 864.43188
2740.0000 -181.79741 -172.60622 9.19120 2.72635 -172.76327 891.88726
2745.0000 -181.30253 -173.89892 7.40361 2.71506 -172.96404 932.36820
2750.0000 -181.40682 -173.64736 7.75945 2.65033 -174.11523 856.40559
FREEZING PROCESS: loop number 12 T-loop= 875.00000000000000
main_MD> interactions number 12 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.09503 -3.16343 -6.49580
force_rgl> df(natom) -1.79405 3.62810 4.56502
2755.0000 -181.69499 -173.57195 8.12303 2.70954 -173.06220 894.49256
2760.0000 -183.36752 -175.19333 8.17419 2.67244 -173.72210 844.30621
2765.0000 -183.49596 -175.07866 8.41729 2.62024 -174.65050 812.10789
2770.0000 -183.01633 -174.44191 8.57442 2.63880 -174.32033 857.72928
2775.0000 -182.56819 -173.91691 8.65129 2.62057 -174.64459 838.02940
2780.0000 -182.59123 -174.94126 7.64997 2.63541 -174.38066 874.32444
2785.0000 -180.96811 -173.97859 6.98952 2.59833 -175.04000 828.93706
2790.0000 -181.15104 -172.96590 8.18514 2.66567 -173.84254 848.68203
2795.0000 -181.68466 -172.78685 8.89781 2.71755 -172.91983 888.01601
2800.0000 -181.79213 -172.42018 9.37195 2.70367 -173.16676 877.84550
2805.0000 -182.42308 -172.75815 9.66492 2.74367 -172.45528 916.94911
2810.0000 -182.15038 -173.60324 8.54715 2.68605 -173.48010 876.91381
2815.0000 -181.78467 -173.30342 8.48125 2.68898 -173.42796 888.28923
2820.0000 -182.97733 -173.94022 9.03711 2.59721 -175.06009 805.95640
2825.0000 -182.18651 -173.17317 9.01333 2.69377 -173.34273 887.76477
2830.0000 -183.03475 -173.62064 9.41410 2.67149 -173.73899 886.86289
2835.0000 -181.71885 -174.44070 7.27815 2.70422 -173.15686 900.39197
2840.0000 -181.67680 -174.15540 7.52139 2.65312 -174.06564 868.74199
2845.0000 -181.39929 -172.01065 9.38864 2.63598 -174.37045 846.76014
2850.0000 -180.55130 -172.40093 8.15037 2.72475 -172.79183 902.34651
2855.0000 -180.90864 -171.86936 9.03928 2.78287 -171.75815 925.83929
2860.0000 -181.21662 -171.76844 9.44818 2.75690 -172.22001 939.99121
2865.0000 -180.48009 -172.37117 8.10892 2.78063 -171.79802 948.22347
2870.0000 -180.84296 -171.96029 8.88267 2.79528 -171.53751 958.53324
2875.0000 -182.39621 -174.29530 8.10091 2.69955 -173.23986 870.09394
2880.0000 -181.45703 -173.80446 7.65257 2.73393 -172.62846 935.68970
2885.0000 -182.70137 -173.98654 8.71483 2.65096 -174.10403 887.97636
2890.0000 -181.81502 -173.77081 8.04421 2.63526 -174.38337 853.30888
2895.0000 -182.72341 -175.00866 7.71475 2.69678 -173.28916 901.91259
2900.0000 -183.45511 -174.81689 8.63822 2.60096 -174.99328 876.20795
2905.0000 -182.80482 -174.00983 8.79500 2.66457 -173.86199 898.29827
2910.0000 -180.93664 -172.86896 8.06768 2.71610 -172.94554 886.18531
2915.0000 -181.85626 -172.31660 9.53967 2.70231 -173.19088 874.87163
2920.0000 -181.70327 -172.27022 9.43306 2.76613 -172.05591 918.44044
2925.0000 -182.84707 -174.34636 8.50071 2.68077 -173.57388 875.93810
2930.0000 -182.59816 -172.69514 9.90302 2.68430 -173.51124 881.58174
2935.0000 -183.67783 -174.83946 8.83837 2.66428 -173.86725 878.79811
2940.0000 -181.56238 -174.05051 7.51187 2.60066 -174.99870 829.84899
2945.0000 -181.44738 -173.81292 7.63445 2.67782 -173.62641 858.70410
2950.0000 -182.20949 -172.07979 10.12970 2.70039 -173.22494 883.81220
2955.0000 -183.92662 -175.15326 8.77337 2.62717 -174.52722 851.71822
2960.0000 -181.77285 -173.55364 8.21920 2.65424 -174.04580 874.90470
2965.0000 -181.44246 -172.23131 9.21115 2.74288 -172.46933 920.78032
2970.0000 -181.79702 -172.31395 9.48307 2.74053 -172.51110 947.31258
2975.0000 -180.75247 -173.67537 7.07710 2.70019 -173.22857 909.84303
2980.0000 -182.57008 -173.97082 8.59926 2.66493 -173.85561 866.60684
2985.0000 -183.18190 -174.53849 8.64341 2.65695 -173.99751 871.31929
2990.0000 -181.46951 -172.28746 9.18205 2.66212 -173.90563 867.35252
2995.0000 -181.85032 -173.92551 7.92481 2.71284 -173.00353 901.52998
3000.0000 -182.55312 -172.98574 9.56738 2.67938 -173.59871 872.85580
FREEZING PROCESS: loop number 13 T-loop= 850.00000000000000
main_MD> interactions number 13 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15319 -2.27045 -0.69903
force_rgl> df(natom) -3.38102 0.13286 0.45138
3005.0000 -182.97946 -175.85139 7.12807 2.60077 -174.99672 815.06365
3010.0000 -182.90103 -175.61861 7.28241 2.59200 -175.15274 824.15703
3015.0000 -183.27327 -176.45901 6.81426 2.54680 -175.95657 807.39693
3020.0000 -185.46693 -175.63570 9.83123 2.54192 -176.04322 799.63811
3025.0000 -183.22332 -175.36931 7.85401 2.53154 -176.22795 789.35577
3030.0000 -181.31220 -172.04666 9.26554 2.68148 -173.56135 887.06308
3035.0000 -182.51143 -173.64937 8.86206 2.72023 -172.87218 911.70138
3040.0000 -182.99241 -174.40020 8.59221 2.66103 -173.92499 830.14326
3045.0000 -182.29817 -173.44084 8.85733 2.67880 -173.60903 857.49161
3050.0000 -181.20280 -174.26973 6.93306 2.67405 -173.69337 857.34999
3055.0000 -182.74518 -174.33195 8.41323 2.67128 -173.74277 888.24089
3060.0000 -181.18878 -172.96061 8.22817 2.68370 -173.52175 890.81362
3065.0000 -182.30229 -174.13617 8.16612 2.64081 -174.28465 830.41782
3070.0000 -180.14407 -170.64787 9.49620 2.74278 -172.47118 894.65093
3075.0000 -181.82640 -173.35265 8.47376 2.73307 -172.64377 892.45524
3080.0000 -182.42156 -174.48992 7.93164 2.66975 -173.76997 857.68096
3085.0000 -181.79659 -173.61536 8.18123 2.60975 -174.83692 860.11631
3090.0000 -183.20035 -174.68660 8.51375 2.64786 -174.15927 864.48655
3095.0000 -183.01276 -175.64699 7.36576 2.63459 -174.39523 855.05249
3100.0000 -182.54266 -174.55265 7.99001 2.60244 -174.96692 841.04407
3105.0000 -184.41525 -175.84752 8.56772 2.60779 -174.87185 830.12005
3110.0000 -182.67171 -173.97636 8.69536 2.59990 -175.01211 814.95156
3115.0000 -182.63266 -174.77087 7.86180 2.63233 -174.43544 821.92968
3120.0000 -183.90402 -177.16571 6.73831 2.58335 -175.30647 817.25156
3125.0000 -184.09890 -177.06563 7.03327 2.47449 -177.24248 756.66209
3130.0000 -182.54174 -175.07781 7.46392 2.45730 -177.54826 754.17884
3135.0000 -183.83486 -175.20352 8.63134 2.54419 -176.00300 820.19419
3140.0000 -182.40145 -173.77272 8.62873 2.63332 -174.41789 843.10407
3145.0000 -182.12550 -173.41363 8.71187 2.66256 -173.89770 870.47426
3150.0000 -183.04600 -174.59436 8.45164 2.68669 -173.46861 862.44530
3155.0000 -181.32869 -174.16696 7.16173 2.61412 -174.75934 836.45442
3160.0000 -184.00333 -174.81844 9.18489 2.58345 -175.30479 817.05093
3165.0000 -183.48931 -174.80531 8.68400 2.63050 -174.46804 861.67070
3170.0000 -183.69267 -175.49979 8.19289 2.59809 -175.04442 833.46087
3175.0000 -183.83167 -175.49249 8.33918 2.57428 -175.46774 810.50193
3180.0000 -183.91924 -176.25917 7.66006 2.58882 -175.20927 825.65241
3185.0000 -183.84080 -176.10467 7.73613 2.55138 -175.87500 791.05826
3190.0000 -182.35772 -175.25582 7.10190 2.58450 -175.28612 815.98879
3195.0000 -182.57085 -174.69728 7.87357 2.60009 -175.00881 849.16351
3200.0000 -183.57567 -174.37758 9.19808 2.63778 -174.33841 886.85662
3205.0000 -183.46728 -175.12877 8.33851 2.58931 -175.20049 824.06975
3210.0000 -181.74313 -174.79858 6.94455 2.61094 -174.81575 843.61407
3215.0000 -180.96436 -172.74311 8.22125 2.68762 -173.45219 895.48977
3220.0000 -181.14613 -173.84675 7.29938 2.65473 -174.03703 842.97133
3225.0000 -182.86574 -175.32533 7.54041 2.59049 -175.17947 816.99875
3230.0000 -181.98349 -174.05987 7.92362 2.58122 -175.34430 797.48153
3235.0000 -181.09246 -173.65100 7.44146 2.62274 -174.60604 828.02565
3240.0000 -182.22602 -173.67777 8.54825 2.69205 -173.37334 881.88789
3245.0000 -182.94301 -174.20238 8.74063 2.67890 -173.60717 870.92460
3250.0000 -183.43496 -173.98187 9.45309 2.68087 -173.57210 901.08392
FREEZING PROCESS: loop number 14 T-loop= 825.00000000000000
main_MD> interactions number 14 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.68717 -0.39440 -1.18891
force_rgl> df(natom) 6.10664 5.43487 6.44841
3255.0000 -182.74729 -175.24062 7.50667 2.62348 -174.59286 841.36742
3260.0000 -183.10353 -174.86669 8.23685 2.58540 -175.27009 816.96137
3265.0000 -182.08547 -172.22686 9.85861 2.70420 -173.15730 874.26023
3270.0000 -183.70126 -176.26752 7.43374 2.64385 -174.23051 851.62385
3275.0000 -182.54340 -173.78340 8.76000 2.58071 -175.35342 828.20647
3280.0000 -183.62385 -175.27195 8.35190 2.67473 -173.68131 857.61009
3285.0000 -183.92924 -177.02229 6.90695 2.52812 -176.28876 779.27204
3290.0000 -184.62559 -177.04998 7.57561 2.45866 -177.52401 723.34482
3295.0000 -183.46871 -175.84619 7.62252 2.50508 -176.69847 781.97581
3300.0000 -183.04744 -174.49723 8.55020 2.60954 -174.84076 836.75753
3305.0000 -182.75158 -174.32563 8.42595 2.62132 -174.63114 845.65282
3310.0000 -181.97957 -175.15494 6.82463 2.61845 -174.68230 838.04992
3315.0000 -181.47838 -173.87091 7.60747 2.64857 -174.14664 832.11044
3320.0000 -182.82078 -174.63856 8.18222 2.65261 -174.07483 878.87540
3325.0000 -184.02603 -175.65623 8.36980 2.57803 -175.40113 833.15853
3330.0000 -183.61598 -176.61195 7.00403 2.53158 -176.22718 789.53068
3335.0000 -183.00356 -175.66294 7.34062 2.55188 -175.86612 786.29719
3340.0000 -183.86961 -175.60999 8.25962 2.62100 -174.63691 841.30272
3345.0000 -182.71331 -174.07279 8.64052 2.60086 -174.99510 836.39399
3350.0000 -180.66187 -173.06277 7.59910 2.71273 -173.00547 901.86238
3355.0000 -182.32528 -173.61378 8.71149 2.70357 -173.16846 886.71475
3360.0000 -182.86062 -175.13305 7.72756 2.68543 -173.49100 923.34059
3365.0000 -182.17633 -175.18829 6.98805 2.60539 -174.91461 867.01799
3370.0000 -182.23362 -174.25129 7.98233 2.56424 -175.64629 827.92321
3375.0000 -183.37849 -175.86789 7.51060 2.56685 -175.59995 820.62771
3380.0000 -183.09507 -175.68491 7.41016 2.50079 -176.77480 746.90553
3385.0000 -183.35754 -175.61083 7.74671 2.55295 -175.84723 795.14375
3390.0000 -181.76677 -173.06108 8.70570 2.64537 -174.20344 865.64961
3395.0000 -184.42969 -175.56370 8.86599 2.62941 -174.48729 861.56849
3400.0000 -183.21398 -175.44891 7.76507 2.57698 -175.41982 798.73487
3405.0000 -183.82788 -176.48318 7.34470 2.52555 -176.33446 764.95617
3410.0000 -183.20595 -176.24967 6.95628 2.56840 -175.57232 791.07749
3415.0000 -184.18024 -176.68224 7.49800 2.50334 -176.72949 761.66866
3420.0000 -180.99513 -173.70756 7.28757 2.56865 -175.56799 832.29566
3425.0000 -183.16687 -174.29762 8.86925 2.68641 -173.47362 880.47084
3430.0000 -184.63299 -176.41464 8.21835 2.58967 -175.19417 834.12002
3435.0000 -182.58939 -174.95387 7.63552 2.55912 -175.73749 824.14734
3440.0000 -183.74015 -175.17132 8.56883 2.61485 -174.74631 833.24921
3445.0000 -182.05257 -174.26221 7.79036 2.58507 -175.27591 804.56198
3450.0000 -182.52186 -172.11880 10.40306 2.72192 -172.84207 907.66021
3455.0000 -181.97618 -173.65750 8.31868 2.71738 -172.92289 912.74500
3460.0000 -183.31329 -174.55035 8.76294 2.58866 -175.21208 798.79714
3465.0000 -182.97608 -175.70689 7.26920 2.60566 -174.90969 820.03866
3470.0000 -183.73228 -176.25058 7.48170 2.54397 -176.00692 790.74258
3475.0000 -183.26321 -175.55006 7.71316 2.58749 -175.23283 803.85437
3480.0000 -182.59297 -176.28666 6.30632 2.54732 -175.94722 794.44589
3485.0000 -183.10454 -174.90496 8.19958 2.54929 -175.91215 776.28888
3490.0000 -182.88297 -175.92280 6.96017 2.55063 -175.88840 764.91232
3495.0000 -184.00271 -175.48896 8.51375 2.53237 -176.21319 800.81423
3500.0000 -184.25698 -177.52916 6.72782 2.51080 -176.59670 779.44701
FREEZING PROCESS: loop number 15 T-loop= 800.00000000000000
main_MD> interactions number 15 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54202 -0.06601 -2.68844
force_rgl> df(natom) -1.59551 -0.58724 -1.02330
3505.0000 -185.53217 -178.43191 7.10027 2.46177 -177.46875 744.75079
3510.0000 -186.13531 -177.80322 8.33209 2.42076 -178.19807 732.82074
3515.0000 -185.52615 -178.66180 6.86435 2.40263 -178.52052 733.53186
3520.0000 -185.22385 -177.19240 8.03145 2.50519 -176.69645 800.03080
3525.0000 -184.74420 -176.61218 8.13202 2.40719 -178.43939 732.77198
3530.0000 -185.14596 -177.80003 7.34593 2.49725 -176.83783 762.06112
3535.0000 -183.58345 -177.41936 6.16409 2.45321 -177.62096 736.49149
3540.0000 -184.17907 -175.55992 8.61915 2.50193 -176.75444 768.28400
3545.0000 -182.03504 -173.88869 8.14635 2.57287 -175.49295 818.74851
3550.0000 -184.36595 -176.06032 8.30563 2.58540 -175.27001 839.20108
3555.0000 -182.70247 -174.25681 8.44566 2.61222 -174.79306 817.20307
3560.0000 -183.26844 -174.11190 9.15654 2.64894 -174.14004 858.67267
3565.0000 -182.79550 -173.00656 9.78894 2.64463 -174.21659 867.25767
3570.0000 -181.64678 -174.57115 7.07563 2.63897 -174.31728 855.33110
3575.0000 -184.73179 -175.70538 9.02640 2.57860 -175.39092 837.35369
3580.0000 -184.04284 -176.04548 7.99736 2.49695 -176.84299 790.19407
3585.0000 -183.29993 -175.52189 7.77804 2.56318 -175.66517 796.17727
3590.0000 -182.50428 -174.03090 8.47338 2.63956 -174.30689 844.42756
3595.0000 -182.85311 -175.70615 7.14696 2.62556 -174.55575 816.17779
3600.0000 -182.58888 -175.25664 7.33224 2.58957 -175.19594 816.36028
3605.0000 -183.96050 -176.06826 7.89224 2.55331 -175.84074 830.79283
3610.0000 -183.24747 -175.16144 8.08603 2.56646 -175.60695 827.10677
3615.0000 -184.20213 -176.50323 7.69890 2.52975 -176.25974 773.80363
3620.0000 -182.68490 -175.09410 7.59080 2.54725 -175.94849 769.67475
3625.0000 -182.59403 -175.14299 7.45103 2.61685 -174.71066 857.60256
3630.0000 -184.48562 -175.92868 8.55694 2.60131 -174.98700 858.64492
3635.0000 -185.51563 -177.40245 8.11318 2.51514 -176.51958 772.39344
3640.0000 -183.47025 -176.97626 6.49399 2.44755 -177.72161 756.84278
3645.0000 -182.81443 -175.87265 6.94178 2.42644 -178.09710 694.10859
3650.0000 -182.99108 -175.66203 7.32905 2.56081 -175.70733 790.06605
3655.0000 -184.08441 -176.32314 7.76127 2.55404 -175.82773 808.98360
3660.0000 -183.40862 -175.98587 7.42275 2.55581 -175.79622 799.32456
3665.0000 -182.41400 -175.16585 7.24815 2.57129 -175.52099 799.86975
3670.0000 -183.13372 -175.33444 7.79928 2.55977 -175.72581 798.29533
3675.0000 -184.15506 -176.99168 7.16338 2.53871 -176.10038 798.08841
3680.0000 -183.13399 -176.85084 6.28315 2.48155 -177.11702 723.64472
3685.0000 -183.41843 -174.78843 8.63000 2.50561 -176.68898 779.45938
3690.0000 -182.19772 -175.47204 6.72569 2.58409 -175.29338 808.37234
3695.0000 -184.21089 -177.49847 6.71243 2.53192 -176.22121 776.27558
3700.0000 -184.38519 -177.33755 7.04763 2.46843 -177.35033 743.03174
3705.0000 -182.89396 -175.23266 7.66130 2.53201 -176.21956 769.21212
3710.0000 -182.99591 -174.09984 8.89606 2.63799 -174.33481 843.05763
3715.0000 -183.25545 -175.25133 8.00412 2.60523 -174.91732 821.97429
3720.0000 -184.40719 -175.92746 8.47972 2.55881 -175.74298 796.52990
3725.0000 -184.06874 -176.17342 7.89532 2.54390 -176.00806 800.96625
3730.0000 -183.27331 -175.53202 7.74129 2.54787 -175.93757 800.30353
3735.0000 -183.18426 -173.55836 9.62590 2.64373 -174.23260 854.58987
3740.0000 -182.28582 -174.00990 8.27592 2.64666 -174.18060 855.73363
3745.0000 -184.48903 -175.44746 9.04157 2.61993 -174.65592 843.08951
3750.0000 -184.67243 -175.94218 8.73025 2.52691 -176.31029 778.70294
FREEZING PROCESS: loop number 16 T-loop= 775.00000000000000
main_MD> interactions number 16 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95526 -0.82480 0.36048
force_rgl> df(natom) -0.50203 0.24583 3.69630
3755.0000 -182.84849 -175.58903 7.25946 2.58197 -175.33101 821.84119
3760.0000 -183.35051 -175.48443 7.86608 2.56835 -175.57325 819.73201
3765.0000 -184.31892 -176.08752 8.23140 2.59244 -175.14486 814.59465
3770.0000 -183.65503 -176.59504 7.05999 2.51411 -176.53795 773.06959
3775.0000 -183.96793 -177.21196 6.75597 2.50250 -176.74446 782.51673
3780.0000 -182.65749 -174.91344 7.74406 2.55594 -175.79400 782.73419
3785.0000 -183.74319 -176.68848 7.05471 2.55054 -175.89001 790.86856
3790.0000 -184.58943 -177.24463 7.34481 2.56356 -175.65850 813.57002
3795.0000 -183.60856 -175.41456 8.19401 2.52588 -176.32864 767.08438
3800.0000 -183.01728 -175.36192 7.65536 2.60966 -174.83866 833.29157
3805.0000 -183.20416 -176.28041 6.92375 2.55440 -175.82136 811.23442
3810.0000 -184.50141 -176.94582 7.55559 2.51213 -176.57303 752.40474
3815.0000 -185.00064 -177.14235 7.85829 2.46056 -177.49019 740.61802
3820.0000 -185.16579 -177.85981 7.30597 2.44884 -177.69868 740.64894
3825.0000 -183.52497 -176.02700 7.49797 2.48686 -177.02258 752.61128
3830.0000 -184.75394 -176.28320 8.47073 2.53797 -176.11350 804.77220
3835.0000 -184.27725 -176.72884 7.54841 2.45971 -177.50534 755.32213
3840.0000 -184.70482 -177.68398 7.02083 2.47510 -177.23158 768.67909
3845.0000 -184.17290 -175.82627 8.34663 2.50945 -176.62075 783.54258
3850.0000 -184.57058 -177.27535 7.29524 2.45673 -177.55839 724.12436
3855.0000 -184.96710 -176.60222 8.36488 2.50731 -176.65892 780.38549
3860.0000 -183.13087 -176.24398 6.88690 2.54808 -175.93369 796.82241
3865.0000 -183.17497 -175.24992 7.92505 2.58416 -175.29214 826.92298
3870.0000 -184.54444 -177.81111 6.73333 2.54986 -175.90212 802.17539
3875.0000 -184.49998 -176.71026 7.78972 2.45314 -177.62228 734.99783
3880.0000 -184.45880 -176.18329 8.27551 2.51830 -176.46337 774.59329
3885.0000 -184.03407 -175.84820 8.18587 2.58965 -175.19448 798.47378
3890.0000 -183.84910 -176.06369 7.78541 2.62023 -174.65052 837.36357
3895.0000 -183.95726 -176.28140 7.67585 2.48976 -176.97103 763.41223
3900.0000 -184.32694 -176.75542 7.57152 2.54792 -175.93652 805.60698
3905.0000 -184.01574 -174.83551 9.18023 2.55668 -175.78079 807.37214
3910.0000 -183.55896 -174.46610 9.09285 2.57972 -175.37110 821.17567
3915.0000 -183.45844 -174.59142 8.86703 2.69954 -173.24012 895.29409
3920.0000 -184.50376 -176.86021 7.64355 2.57455 -175.46301 787.21499
3925.0000 -184.95062 -177.13656 7.81406 2.48124 -177.12242 736.51878
3930.0000 -184.33005 -176.35463 7.97542 2.51986 -176.43558 796.62247
3935.0000 -184.06106 -177.14437 6.91669 2.51967 -176.43905 763.29026
3940.0000 -183.73925 -176.68606 7.05319 2.52521 -176.34041 782.06619
3945.0000 -183.01731 -175.46749 7.54982 2.52347 -176.37146 762.41107
3950.0000 -183.83273 -176.67794 7.15479 2.51265 -176.56384 773.26357
3955.0000 -183.71789 -177.18645 6.53144 2.50775 -176.65105 784.60445
3960.0000 -184.87533 -177.82299 7.05234 2.47647 -177.20735 747.60707
3965.0000 -184.73623 -177.78585 6.95039 2.50102 -176.77073 788.45909
3970.0000 -184.98417 -177.52666 7.45752 2.47816 -177.17718 757.40835
3975.0000 -185.34642 -177.36489 7.98153 2.47839 -177.17318 729.04893
3980.0000 -184.66507 -176.88705 7.77802 2.48100 -177.12682 734.60023
3985.0000 -184.80081 -176.95508 7.84573 2.55181 -175.86747 806.10540
3990.0000 -183.15749 -176.70777 6.44972 2.48193 -177.11015 747.13918
3995.0000 -185.06189 -177.47960 7.58229 2.43238 -177.99148 715.22900
4000.0000 -184.65356 -177.70367 6.94988 2.46635 -177.38726 730.88334
FREEZING PROCESS: loop number 17 T-loop= 750.00000000000000
main_MD> interactions number 17 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25910 3.36781 -2.24283
force_rgl> df(natom) 0.24906 -3.50536 -2.36842
4005.0000 -185.19488 -177.39944 7.79545 2.43693 -177.91054 738.22925
4010.0000 -184.57362 -175.92187 8.65175 2.49767 -176.83030 776.69587
4015.0000 -184.04746 -176.69102 7.35644 2.49653 -176.85047 780.92292
4020.0000 -184.55369 -177.62949 6.92420 2.49429 -176.89033 754.97109
4025.0000 -183.95719 -176.27757 7.67962 2.48713 -177.01763 759.71670
4030.0000 -183.48602 -176.46774 7.01828 2.50857 -176.63640 782.08019
4035.0000 -185.22619 -177.67933 7.54685 2.49303 -176.91276 752.38189
4040.0000 -185.03257 -176.88107 8.15150 2.49687 -176.84449 767.85523
4045.0000 -184.23080 -177.76010 6.47070 2.49019 -176.96335 767.48889
4050.0000 -182.51852 -176.02212 6.49640 2.51028 -176.60603 768.02702
4055.0000 -183.57906 -175.78575 7.79331 2.53377 -176.18830 788.37449
4060.0000 -182.76762 -176.17723 6.59040 2.56142 -175.69645 776.68076
4065.0000 -184.30333 -177.66423 6.63910 2.49321 -176.90968 763.96134
4070.0000 -186.22158 -179.83658 6.38501 2.42383 -178.14356 714.48094
4075.0000 -185.69666 -178.60535 7.09131 2.34974 -179.46121 662.64808
4080.0000 -183.85437 -175.99717 7.85720 2.46071 -177.48767 730.09566
4085.0000 -184.47274 -177.16043 7.31231 2.47932 -177.15663 750.42256
4090.0000 -184.96340 -176.38270 8.58070 2.49436 -176.88915 768.55895
4095.0000 -184.36675 -176.62159 7.74515 2.48236 -177.10248 788.25963
4100.0000 -183.95113 -177.43373 6.51740 2.46125 -177.47797 740.11342
4105.0000 -185.92753 -179.44940 6.47813 2.45809 -177.53417 732.85375
4110.0000 -183.82881 -176.28988 7.53894 2.41868 -178.23510 680.81086
4115.0000 -185.18751 -176.75492 8.43259 2.48929 -176.97924 745.17926
4120.0000 -184.29248 -176.57052 7.72195 2.49715 -176.83947 765.92776
4125.0000 -183.91370 -177.50736 6.40634 2.42931 -178.04602 702.87194
4130.0000 -183.67940 -177.04219 6.63721 2.50841 -176.63925 765.74583
4135.0000 -183.10170 -175.13769 7.96401 2.54719 -175.94960 789.43541
4140.0000 -183.13650 -175.18096 7.95554 2.60565 -174.90990 804.45692
4145.0000 -182.93967 -173.52995 9.40972 2.60905 -174.84950 839.85433
4150.0000 -183.39814 -175.65355 7.74459 2.61750 -174.69919 837.83691
4155.0000 -182.67419 -174.45564 8.21855 2.60451 -174.93021 806.69072
4160.0000 -183.27734 -177.11270 6.16464 2.57060 -175.53317 779.32322
4165.0000 -184.59311 -177.46135 7.13176 2.51203 -176.57496 777.02537
4170.0000 -184.85077 -176.54422 8.30655 2.49257 -176.92096 767.51515
4175.0000 -184.98066 -176.94823 8.03243 2.47173 -177.29167 734.81711
4180.0000 -185.69208 -178.64653 7.04555 2.44350 -177.79371 760.25523
4185.0000 -185.75699 -177.74690 8.01010 2.40900 -178.40721 704.09871
4190.0000 -184.47302 -176.98340 7.48962 2.49370 -176.90087 766.18040
4195.0000 -183.94540 -177.64604 6.29936 2.45172 -177.64750 730.50023
4200.0000 -184.26308 -178.07514 6.18794 2.40693 -178.44403 723.44165
4205.0000 -184.36864 -177.54305 6.82559 2.41594 -178.28379 723.03873
4210.0000 -183.07736 -176.35627 6.72110 2.50675 -176.66880 776.78121
4215.0000 -183.36478 -176.85332 6.51147 2.50815 -176.64396 764.17739
4220.0000 -183.36249 -176.44395 6.91854 2.51799 -176.46882 777.69862
4225.0000 -183.12629 -175.24703 7.87927 2.53651 -176.13959 783.10226
4230.0000 -184.78570 -176.75690 8.02880 2.55465 -175.81684 790.76547
4235.0000 -183.83282 -176.36880 7.46401 2.52943 -176.26541 780.40285
4240.0000 -184.04975 -176.28692 7.76283 2.49948 -176.79814 723.38404
4245.0000 -184.42887 -177.38982 7.03904 2.54353 -176.01470 792.38119
4250.0000 -185.64152 -177.46354 8.17798 2.49010 -176.96498 765.18200
FREEZING PROCESS: loop number 18 T-loop= 725.00000000000000
main_MD> interactions number 18 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04898 -2.87321 -4.62555
force_rgl> df(natom) 2.10481 -0.86434 -3.65977
4255.0000 -186.00506 -178.56340 7.44167 2.38534 -178.82798 691.38285
4260.0000 -185.67010 -178.83669 6.83341 2.38266 -178.87560 678.31334
4265.0000 -184.63382 -177.68462 6.94920 2.41279 -178.33984 724.51671
4270.0000 -185.23771 -178.67997 6.55774 2.41651 -178.27368 699.21819
4275.0000 -185.41285 -178.93789 6.47496 2.37725 -178.97182 655.27251
4280.0000 -184.89915 -177.46502 7.43413 2.44133 -177.83229 727.66143
4285.0000 -183.96648 -176.87901 7.08747 2.45929 -177.51283 779.03263
4290.0000 -184.22866 -177.18537 7.04329 2.50002 -176.78856 769.14603
4295.0000 -184.50844 -177.59489 6.91355 2.47228 -177.28175 756.83712
4300.0000 -183.78911 -176.84020 6.94891 2.50584 -176.68506 798.26333
4305.0000 -185.84051 -177.13299 8.70751 2.47296 -177.26973 730.41783
4310.0000 -184.42316 -177.46370 6.95946 2.43407 -177.96129 744.85102
4315.0000 -185.28148 -178.46429 6.81718 2.43717 -177.90621 718.57323
4320.0000 -184.05170 -176.81456 7.23714 2.48248 -177.10046 743.73775
4325.0000 -185.53557 -179.08255 6.45303 2.44169 -177.82578 708.07587
4330.0000 -185.53083 -178.62567 6.90515 2.41456 -178.30829 716.34323
4335.0000 -184.42214 -177.73353 6.68862 2.48085 -177.12936 760.72981
4340.0000 -185.61203 -178.17350 7.43853 2.46356 -177.43681 758.88172
4345.0000 -186.04502 -179.36352 6.68150 2.37531 -179.00638 687.16794
4350.0000 -184.94083 -177.88553 7.05531 2.37910 -178.93893 697.39609
4355.0000 -184.79842 -176.07297 8.72545 2.47724 -177.19357 768.16259
4360.0000 -183.38665 -177.14724 6.23940 2.51056 -176.60107 779.70660
4365.0000 -184.64909 -178.09845 6.55064 2.42961 -178.04076 731.75951
4370.0000 -184.27584 -178.62166 5.65418 2.42803 -178.06872 728.71786
4375.0000 -185.80518 -178.43516 7.37002 2.42473 -178.12746 722.88620
4380.0000 -185.40906 -179.01177 6.39729 2.37981 -178.92636 683.11621
4385.0000 -185.40114 -178.53118 6.86997 2.38722 -178.79448 682.64463
4390.0000 -184.80293 -178.25422 6.54871 2.39318 -178.68855 696.40718
4395.0000 -185.90355 -178.71922 7.18433 2.43752 -177.90004 722.87213
4400.0000 -185.12647 -177.83782 7.28865 2.42625 -178.10043 737.43977
4405.0000 -185.34711 -178.01693 7.33018 2.46061 -177.48940 743.57528
4410.0000 -186.36413 -178.92322 7.44091 2.42125 -178.18936 719.04325
4415.0000 -185.11427 -178.52011 6.59416 2.40304 -178.51313 714.33939
4420.0000 -185.46896 -177.16739 8.30157 2.47874 -177.16702 734.89753
4425.0000 -184.47127 -178.04898 6.42229 2.42418 -178.13719 713.01141
4430.0000 -185.55174 -178.41518 7.13656 2.43399 -177.96274 706.87487
4435.0000 -184.83777 -178.69023 6.14754 2.42516 -178.11980 690.69998
4440.0000 -184.40972 -177.63255 6.77718 2.46845 -177.34989 742.65240
4445.0000 -185.92084 -179.33905 6.58179 2.40397 -178.49659 679.93542
4450.0000 -185.55651 -178.19429 7.36222 2.41005 -178.38860 701.95551
4455.0000 -186.12375 -178.83742 7.28633 2.38140 -178.89805 694.22813
4460.0000 -186.28570 -179.12067 7.16504 2.36954 -179.10892 706.17927
4465.0000 -184.27882 -175.80145 8.47737 2.45814 -177.53338 732.91926
4470.0000 -184.64311 -177.97397 6.66914 2.48529 -177.05037 737.85349
4475.0000 -183.85730 -177.57560 6.28170 2.48772 -177.00716 742.38065
4480.0000 -183.67063 -177.20657 6.46406 2.44421 -177.78095 699.14894
4485.0000 -185.02753 -178.40979 6.61775 2.42473 -178.12747 710.21617
4490.0000 -186.44180 -180.59215 5.84965 2.34098 -179.61690 653.75936
4495.0000 -185.69154 -179.26946 6.42209 2.33763 -179.67650 647.67787
4500.0000 -185.86111 -179.09667 6.76444 2.40251 -178.52270 672.74296
FREEZING PROCESS: loop number 19 T-loop= 700.00000000000000
main_MD> interactions number 19 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73123 -1.50969 -0.63939
force_rgl> df(natom) -0.86927 -3.01726 -1.54816
4505.0000 -185.33868 -177.71357 7.62511 2.39574 -178.64305 703.38481
4510.0000 -183.74305 -177.55316 6.18990 2.45963 -177.50686 738.24703
4515.0000 -184.32744 -176.36893 7.95851 2.49863 -176.81324 777.46236
4520.0000 -184.80338 -177.19742 7.60596 2.48993 -176.96798 751.91007
4525.0000 -183.48041 -176.28979 7.19063 2.47690 -177.19971 756.25503
4530.0000 -185.60506 -178.63822 6.96684 2.44266 -177.80852 726.48052
4535.0000 -185.66859 -179.21896 6.44963 2.37572 -178.99902 690.33786
4540.0000 -185.62221 -178.42057 7.20164 2.39939 -178.57811 690.49746
4545.0000 -185.81697 -178.89389 6.92308 2.45204 -177.64183 750.38266
4550.0000 -185.15263 -177.87137 7.28126 2.38668 -178.80413 713.33592
4555.0000 -183.28770 -174.63687 8.65083 2.49679 -176.84593 775.79133
4560.0000 -183.43067 -177.24964 6.18103 2.53628 -176.14367 776.70325
4565.0000 -185.01863 -178.40810 6.61053 2.44603 -177.74869 724.98532
4570.0000 -184.89119 -178.23752 6.65367 2.41523 -178.29637 693.31894
4575.0000 -185.15407 -177.78992 7.36414 2.37417 -179.02671 687.42005
4580.0000 -185.36432 -178.06377 7.30054 2.44987 -177.68042 736.17076
4585.0000 -184.94680 -178.55985 6.38696 2.40318 -178.51080 679.06748
4590.0000 -184.65768 -178.05679 6.60089 2.38688 -178.80060 687.38012
4595.0000 -183.60359 -175.07508 8.52851 2.52655 -176.31657 796.84593
4600.0000 -183.19987 -175.76270 7.43717 2.57606 -175.43611 798.01120
4605.0000 -183.50551 -176.37562 7.12988 2.54993 -175.90093 780.68018
4610.0000 -184.17738 -176.95738 7.22000 2.46278 -177.45084 730.53335
4615.0000 -185.23646 -178.59530 6.64115 2.44423 -177.78059 692.35559
4620.0000 -185.17455 -178.16029 7.01426 2.42726 -178.08249 709.59828
4625.0000 -186.21408 -178.82965 7.38442 2.40284 -178.51671 717.51694
4630.0000 -184.82933 -178.54575 6.28358 2.41753 -178.25549 715.63890
4635.0000 -186.28220 -179.53118 6.75103 2.37702 -178.97589 662.96448
4640.0000 -185.99412 -179.55719 6.43692 2.34789 -179.49397 664.67348
4645.0000 -184.92292 -178.95944 5.96348 2.38568 -178.82198 698.15742
4650.0000 -184.86336 -179.13484 5.72851 2.40767 -178.43087 696.79404
4655.0000 -186.94612 -180.57806 6.36806 2.31701 -180.04323 646.08510
4660.0000 -185.50799 -178.72837 6.77963 2.30709 -180.21971 629.04948
4665.0000 -185.63114 -179.65520 5.97595 2.35166 -179.42700 682.34052
4670.0000 -184.88670 -177.45607 7.43063 2.39472 -178.66120 704.65062
4675.0000 -186.23327 -180.54719 5.68607 2.36415 -179.20487 688.07426
4680.0000 -184.47244 -178.17208 6.30035 2.36038 -179.27190 676.81242
4685.0000 -185.56583 -178.46171 7.10412 2.46466 -177.41725 737.63669
4690.0000 -184.83798 -177.87968 6.95830 2.39805 -178.60190 688.88584
4695.0000 -184.34269 -177.50866 6.83403 2.48039 -177.13760 748.97662
4700.0000 -184.53619 -177.87387 6.66232 2.43718 -177.90611 737.21695
4705.0000 -186.01179 -179.08041 6.93139 2.38741 -178.79117 700.51700
4710.0000 -185.19093 -178.68077 6.51016 2.40382 -178.49926 708.50285
4715.0000 -184.53653 -177.99506 6.54147 2.40859 -178.41452 708.77857
4720.0000 -185.56298 -179.74779 5.81520 2.37409 -179.02800 679.96417
4725.0000 -186.04103 -179.61169 6.42934 2.32052 -179.98086 642.60032
4730.0000 -186.00810 -179.47395 6.53415 2.34136 -179.61014 652.75158
4735.0000 -185.23145 -178.74982 6.48163 2.33067 -179.80027 634.64177
4740.0000 -184.61589 -177.74974 6.86615 2.43014 -178.03117 707.59185
4745.0000 -184.88697 -177.94263 6.94435 2.44069 -177.84361 728.36951
4750.0000 -184.71368 -177.65814 7.05554 2.39593 -178.63964 672.14548
FREEZING PROCESS: loop number 20 T-loop= 675.00000000000000
main_MD> interactions number 20 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43785 1.83000 3.02660
force_rgl> df(natom) -2.44066 1.77833 -2.60088
4755.0000 -185.60532 -178.81949 6.78583 2.41104 -178.37088 692.46789
4760.0000 -187.25662 -180.37411 6.88250 2.34896 -179.47493 662.77921
4765.0000 -184.89142 -178.70452 6.18691 2.30438 -180.26782 617.10161
4770.0000 -186.30608 -179.36213 6.94394 2.37684 -178.97909 673.86249
4775.0000 -186.00293 -179.56448 6.43845 2.34765 -179.49827 676.52983
4780.0000 -186.11689 -179.46356 6.65332 2.36662 -179.16094 697.42430
4785.0000 -186.80620 -180.33248 6.47372 2.33422 -179.73713 668.65292
4790.0000 -187.96002 -181.50605 6.45397 2.28102 -180.68326 631.10527
4795.0000 -185.88978 -179.54332 6.34645 2.29855 -180.37146 637.74575
4800.0000 -184.63855 -178.08982 6.54872 2.36442 -179.20006 667.06301
4805.0000 -184.68209 -177.34651 7.33559 2.44162 -177.82700 740.10421
4810.0000 -185.17407 -178.24890 6.92517 2.40317 -178.51098 692.13340
4815.0000 -185.63771 -178.79821 6.83950 2.38450 -178.84302 699.94468
4820.0000 -184.66007 -177.87240 6.78766 2.39417 -178.67094 669.72504
4825.0000 -185.44191 -179.06968 6.37222 2.40012 -178.56522 687.73098
4830.0000 -185.41779 -179.60044 5.81736 2.34703 -179.50924 662.85522
4835.0000 -186.74158 -181.11793 5.62365 2.31429 -180.09161 657.94076
4840.0000 -186.31970 -179.95682 6.36288 2.29049 -180.51486 633.42599
4845.0000 -185.82215 -178.81655 7.00560 2.36080 -179.26438 693.46950
4850.0000 -186.23450 -178.99607 7.23843 2.39052 -178.73596 710.89943
4855.0000 -187.46792 -180.13000 7.33792 2.33504 -179.72264 677.19618
4860.0000 -186.39047 -180.02657 6.36390 2.30812 -180.20135 649.50632
4865.0000 -186.21090 -180.74346 5.46744 2.35774 -179.31891 693.73626
4870.0000 -185.73749 -179.55486 6.18263 2.31506 -180.07782 656.03180
4875.0000 -186.05807 -180.06399 5.99408 2.32805 -179.84692 641.08025
4880.0000 -186.27878 -179.49977 6.77901 2.35531 -179.36205 674.12248
4885.0000 -185.25757 -179.42203 5.83554 2.38465 -178.84029 677.76026
4890.0000 -185.13883 -178.50151 6.63731 2.38136 -178.89881 681.55080
4895.0000 -185.60877 -178.76280 6.84597 2.40450 -178.48719 703.93347
4900.0000 -185.88478 -179.85731 6.02748 2.38064 -178.91155 681.93445
4905.0000 -186.48241 -180.96911 5.51330 2.30138 -180.32126 629.75791
4910.0000 -186.34619 -180.44505 5.90114 2.32798 -179.84817 667.36907
4915.0000 -186.06319 -178.59735 7.46584 2.35238 -179.41418 662.20602
4920.0000 -186.52417 -179.77502 6.74915 2.37787 -178.96089 694.07502
4925.0000 -185.98291 -180.20457 5.77834 2.29386 -180.45500 612.76107
4930.0000 -186.94273 -181.00876 5.93397 2.31213 -180.13008 631.78744
4935.0000 -185.97851 -180.56404 5.41447 2.29323 -180.46605 633.90907
4940.0000 -187.35733 -180.48382 6.87351 2.29230 -180.48270 614.63142
4945.0000 -186.47503 -181.09478 5.38025 2.29053 -180.51413 617.59851
4950.0000 -184.46039 -178.52744 5.93295 2.33673 -179.69247 648.73419
4955.0000 -187.21079 -181.22738 5.98341 2.33581 -179.70892 645.76281
4960.0000 -186.26706 -180.47543 5.79163 2.29166 -180.49411 612.11418
4965.0000 -186.52734 -180.02139 6.50594 2.32712 -179.86333 637.71408
4970.0000 -185.66382 -179.75241 5.91142 2.33326 -179.75430 652.51032
4975.0000 -186.69175 -179.34591 7.34584 2.35749 -179.32324 685.41765
4980.0000 -185.82360 -179.24119 6.58240 2.37219 -179.06192 688.69920
4985.0000 -186.79430 -180.52060 6.27370 2.32171 -179.95964 632.07696
4990.0000 -184.23262 -177.75271 6.47991 2.39607 -178.63714 707.53924
4995.0000 -184.34122 -178.55963 5.78158 2.40591 -178.46222 670.49662
5000.0000 -185.30471 -178.81456 6.49015 2.44956 -177.68582 716.15596
FREEZING PROCESS: loop number 21 T-loop= 650.00000000000000
main_MD> interactions number 21 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.94518 1.80421 0.81196
force_rgl> df(natom) -4.76094 -2.77277 1.28947
5005.0000 -187.43805 -181.11887 6.31918 2.26979 -180.88302 609.39881
5010.0000 -186.44535 -180.10229 6.34306 2.30524 -180.25250 643.20692
5015.0000 -188.09574 -183.31658 4.77917 2.24382 -181.34485 601.87592
5020.0000 -186.92856 -180.98844 5.94011 2.21882 -181.78949 585.87621
5025.0000 -187.04292 -180.98475 6.05817 2.25955 -181.06506 604.33608
5030.0000 -187.46684 -181.33322 6.13362 2.25289 -181.18355 627.52258
5035.0000 -186.48458 -181.47584 5.00873 2.23348 -181.52879 608.09315
5040.0000 -186.98561 -181.74851 5.23711 2.25763 -181.09926 614.57808
5045.0000 -186.17632 -180.75649 5.41983 2.23290 -181.53911 611.05124
5050.0000 -186.56723 -179.02396 7.54327 2.30791 -180.20497 646.52332
5055.0000 -185.08465 -177.19708 7.88757 2.42057 -178.20141 709.59901
5060.0000 -183.99642 -177.52241 6.47402 2.46054 -177.49057 740.42228
5065.0000 -184.08263 -177.34789 6.73474 2.44550 -177.75816 707.54437
5070.0000 -185.73658 -178.36442 7.37217 2.43726 -177.90462 736.27851
5075.0000 -185.60642 -179.88602 5.72040 2.36033 -179.27288 684.73905
5080.0000 -186.23979 -179.62677 6.61302 2.33394 -179.74204 652.45323
5085.0000 -184.94402 -177.89687 7.04715 2.40301 -178.51372 704.48224
5090.0000 -186.51152 -180.52762 5.98390 2.37064 -179.08939 673.59698
5095.0000 -186.72666 -179.92557 6.80109 2.30389 -180.27661 651.29640
5100.0000 -186.72153 -179.18659 7.53494 2.35069 -179.44423 679.02560
5105.0000 -185.97205 -179.98180 5.99025 2.32684 -179.86835 660.10660
5110.0000 -186.10637 -179.78980 6.31657 2.32255 -179.94473 641.19136
5115.0000 -186.27282 -179.87555 6.39728 2.32086 -179.97482 656.21442
5120.0000 -184.65511 -178.73972 5.91539 2.35618 -179.34662 673.96575
5125.0000 -184.84803 -178.44382 6.40421 2.39539 -178.64920 660.06983
5130.0000 -185.72056 -179.06719 6.65337 2.37561 -179.00102 662.79801
5135.0000 -186.35508 -179.42249 6.93259 2.38144 -178.89741 693.78004
5140.0000 -187.73555 -181.01112 6.72442 2.28166 -180.67184 631.38624
5145.0000 -188.00889 -182.01200 5.99689 2.25431 -181.15838 601.87892
5150.0000 -187.28777 -181.09286 6.19491 2.23879 -181.43429 600.93953
5155.0000 -185.61932 -180.15443 5.46489 2.27694 -180.75587 631.68806
5160.0000 -186.90399 -180.04880 6.85518 2.28047 -180.69314 643.19969
5165.0000 -185.50070 -179.28508 6.21562 2.30303 -180.29189 646.57647
5170.0000 -186.28715 -180.87348 5.41367 2.36088 -179.26308 676.65361
5175.0000 -186.51081 -179.53513 6.97568 2.31480 -180.08249 635.79166
5180.0000 -185.79356 -178.42754 7.36602 2.39084 -178.73026 703.00856
5185.0000 -187.29813 -181.20595 6.09218 2.31596 -180.06192 639.80059
5190.0000 -186.88388 -181.38941 5.49446 2.28071 -180.68885 617.68865
5195.0000 -186.45413 -180.64975 5.80439 2.26309 -181.00220 612.37247
5200.0000 -187.27127 -181.47866 5.79261 2.22919 -181.60508 602.67849
5205.0000 -187.85995 -181.74219 6.11776 2.22742 -181.63646 623.15307
5210.0000 -187.94572 -181.40313 6.54260 2.21431 -181.86968 637.81916
5215.0000 -188.14643 -181.98590 6.16053 2.17195 -182.62296 609.42020
5220.0000 -187.94725 -182.04894 5.89831 2.20533 -182.02938 638.55303
5225.0000 -186.62931 -181.25732 5.37199 2.23071 -181.57799 620.13844
5230.0000 -185.94079 -180.47851 5.46228 2.28768 -180.56484 637.06023
5235.0000 -185.61914 -180.84984 4.76929 2.29564 -180.42330 621.82507
5240.0000 -185.99957 -180.09150 5.90808 2.26640 -180.94334 588.88369
5245.0000 -186.04887 -179.51622 6.53265 2.34513 -179.54304 664.12990
5250.0000 -186.90827 -180.11575 6.79252 2.34410 -179.56146 691.14767
FREEZING PROCESS: loop number 22 T-loop= 625.00000000000000
main_MD> interactions number 22 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06901 -1.90596 -0.26172
force_rgl> df(natom) 0.64286 -1.51424 0.49142
5255.0000 -186.65551 -179.96816 6.68735 2.30783 -180.20650 639.91679
5260.0000 -186.42643 -180.06947 6.35696 2.29995 -180.34663 640.31244
5265.0000 -186.55210 -180.65338 5.89872 2.32852 -179.83843 645.31238
5270.0000 -186.44531 -181.01249 5.43281 2.27276 -180.83023 609.90539
5275.0000 -186.45015 -180.34789 6.10226 2.28804 -180.55847 616.39232
5280.0000 -186.12232 -179.63609 6.48623 2.34222 -179.59483 651.87427
5285.0000 -186.76189 -179.50443 7.25746 2.35450 -179.37641 674.19044
5290.0000 -186.94673 -179.95105 6.99568 2.33125 -179.78991 676.99496
5295.0000 -186.62574 -180.20161 6.42413 2.31788 -180.02770 663.77379
5300.0000 -186.80096 -179.80053 7.00043 2.32794 -179.84877 662.90700
5305.0000 -186.42294 -179.78763 6.63531 2.36388 -179.20974 701.29090
5310.0000 -186.85450 -180.58631 6.26819 2.28341 -180.64080 635.85154
5315.0000 -185.94470 -180.62299 5.32171 2.25863 -181.08144 592.67944
5320.0000 -186.47370 -179.24528 7.22843 2.29979 -180.34943 627.51417
5325.0000 -186.23138 -180.73880 5.49258 2.28649 -180.58592 638.54139
5330.0000 -188.16070 -182.11621 6.04450 2.22042 -181.76110 612.42009
5335.0000 -188.48794 -182.84399 5.64395 2.15529 -182.91926 556.04660
5340.0000 -186.67624 -181.62589 5.05036 2.17117 -182.63697 571.85251
5345.0000 -186.56732 -181.57948 4.98783 2.21545 -181.84940 612.09870
5350.0000 -186.78080 -180.73281 6.04799 2.24608 -181.30468 606.22488
5355.0000 -187.78901 -180.79136 6.99765 2.28961 -180.53050 638.98062
5360.0000 -187.17600 -180.69554 6.48046 2.25608 -181.12675 607.01886
5365.0000 -186.20329 -178.59019 7.61310 2.35848 -179.30561 657.01981
5370.0000 -186.80003 -179.34288 7.45716 2.37337 -179.04089 702.65396
5375.0000 -186.58655 -181.29941 5.28713 2.31454 -180.08722 661.67347
5380.0000 -185.79824 -179.54823 6.25001 2.28555 -180.60263 620.63166
5385.0000 -185.94298 -179.28080 6.66218 2.34036 -179.62792 643.71376
5390.0000 -187.28074 -180.54804 6.73270 2.29196 -180.48867 638.40272
5395.0000 -187.50303 -181.25605 6.24698 2.29816 -180.37847 634.05499
5400.0000 -187.26328 -181.56999 5.69329 2.23973 -181.41767 607.70402
5405.0000 -188.08995 -182.33204 5.75790 2.24805 -181.26964 621.36680
5410.0000 -186.64749 -181.30807 5.33942 2.23134 -181.56673 603.19300
5415.0000 -187.27149 -180.81860 6.45289 2.26946 -180.88888 618.46297
5420.0000 -186.13527 -180.77511 5.36016 2.24721 -181.28463 589.75064
5425.0000 -186.27350 -180.31945 5.95405 2.27963 -180.70803 616.43246
5430.0000 -186.14317 -180.52389 5.61927 2.27953 -180.70978 624.79535
5435.0000 -186.50986 -180.72391 5.78595 2.27183 -180.84675 645.80182
5440.0000 -186.67488 -179.76511 6.90977 2.30392 -180.27598 648.16334
5445.0000 -186.87794 -180.32368 6.55426 2.32859 -179.83732 657.41887
5450.0000 -186.19741 -179.69973 6.49768 2.30037 -180.33906 629.29343
5455.0000 -186.52893 -180.03044 6.49849 2.33349 -179.75005 656.53841
5460.0000 -186.47093 -180.96910 5.50183 2.29735 -180.39285 639.88185
5465.0000 -186.15387 -179.63018 6.52369 2.31241 -180.12507 629.34543
5470.0000 -186.01847 -179.51322 6.50525 2.33580 -179.70899 671.29639
5475.0000 -185.90890 -179.16334 6.74556 2.34252 -179.58960 671.99578
5480.0000 -187.06912 -179.74914 7.31997 2.32555 -179.89139 660.92283
5485.0000 -185.43670 -179.16024 6.27646 2.34308 -179.57953 670.77787
5490.0000 -186.72905 -180.10922 6.61983 2.34727 -179.50504 664.28067
5495.0000 -186.43408 -179.35640 7.07768 2.28356 -180.63804 614.52145
5500.0000 -187.29329 -180.96935 6.32394 2.28479 -180.61628 640.44568
FREEZING PROCESS: loop number 23 T-loop= 600.00000000000000
main_MD> interactions number 23 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38350 -0.04976 1.84168
force_rgl> df(natom) -2.40528 -2.83938 0.10901
5505.0000 -187.63935 -182.12218 5.51717 2.24576 -181.31031 608.99394
5510.0000 -186.79546 -181.02539 5.77006 2.25418 -181.16054 597.88250
5515.0000 -186.96376 -180.73191 6.23185 2.26279 -181.00740 607.00302
5520.0000 -186.84365 -179.74622 7.09743 2.29017 -180.52062 635.72812
5525.0000 -186.99058 -180.04045 6.95014 2.29549 -180.42597 636.83091
5530.0000 -187.80771 -182.07199 5.73572 2.23972 -181.41776 587.92820
5535.0000 -186.67164 -180.87244 5.79920 2.21136 -181.92222 558.83240
5540.0000 -186.39641 -181.21700 5.17941 2.27250 -180.83473 605.50892
5545.0000 -187.44339 -181.22129 6.22210 2.25103 -181.21670 596.59183
5550.0000 -187.19415 -181.31014 5.88401 2.24182 -181.38048 598.05704
5555.0000 -186.26152 -181.53683 4.72470 2.22215 -181.73018 566.26854
5560.0000 -186.77425 -180.79091 5.98333 2.27364 -180.81453 605.55089
5565.0000 -186.74552 -181.50079 5.24473 2.24868 -181.25846 608.03995
5570.0000 -187.20677 -181.35550 5.85127 2.26819 -180.91140 644.51270
5575.0000 -188.70166 -182.15453 6.54713 2.20150 -182.09755 590.47087
5580.0000 -187.92270 -182.75987 5.16283 2.20175 -182.09307 570.52181
5585.0000 -187.51812 -182.57741 4.94071 2.16475 -182.75101 518.99895
5590.0000 -186.45342 -181.55707 4.89635 2.23101 -181.57268 571.81482
5595.0000 -186.57746 -181.30020 5.27726 2.25600 -181.12831 579.03626
5600.0000 -186.40217 -179.79234 6.60983 2.29417 -180.44939 617.16795
5605.0000 -186.72277 -180.18822 6.53455 2.29039 -180.51672 608.73388
5610.0000 -186.31363 -180.70702 5.60661 2.28471 -180.61761 614.40250
5615.0000 -187.16595 -181.48956 5.67639 2.26043 -181.04944 613.93032
5620.0000 -187.64830 -181.46626 6.18204 2.24487 -181.32618 597.22231
5625.0000 -187.43266 -181.62909 5.80356 2.20951 -181.95497 592.60857
5630.0000 -188.17096 -181.31378 6.85718 2.23075 -181.57724 595.94671
5635.0000 -187.12104 -182.01198 5.10907 2.26232 -181.01587 620.03748
5640.0000 -187.69633 -181.48402 6.21231 2.22396 -181.69797 589.78353
5645.0000 -187.92876 -181.78408 6.14468 2.25190 -181.20115 618.71488
5650.0000 -188.00148 -183.04844 4.95304 2.18459 -182.39826 568.20875
5655.0000 -187.48257 -182.27704 5.20553 2.18101 -182.46191 575.14338
5660.0000 -186.73722 -181.83457 4.90265 2.18227 -182.43945 576.09847
5665.0000 -186.03990 -180.34732 5.69258 2.26981 -180.88270 628.28170
5670.0000 -187.28940 -181.33845 5.95095 2.28942 -180.53391 610.05202
5675.0000 -185.96142 -180.84980 5.11163 2.28688 -180.57912 618.68451
5680.0000 -186.36090 -180.16031 6.20059 2.28834 -180.55313 592.04308
5685.0000 -187.41723 -180.78982 6.62741 2.29086 -180.50819 612.79628
5690.0000 -187.06327 -180.65181 6.41146 2.27285 -180.82863 615.28683
5695.0000 -186.15536 -179.89258 6.26278 2.27775 -180.74147 624.55184
5700.0000 -186.83509 -180.52204 6.31305 2.31530 -180.07354 636.56839
5705.0000 -187.53855 -181.30183 6.23672 2.25545 -181.13803 595.04559
5710.0000 -187.27985 -181.46646 5.81339 2.24704 -181.28761 614.50416
5715.0000 -186.89991 -181.18679 5.71312 2.21232 -181.90503 587.73766
5720.0000 -188.47944 -181.93354 6.54590 2.22110 -181.74893 597.69926
5725.0000 -187.40678 -181.41600 5.99079 2.20477 -182.03934 568.10802
5730.0000 -186.90798 -180.31540 6.59258 2.26691 -180.93422 612.48795
5735.0000 -187.06153 -181.78055 5.28098 2.28431 -180.62469 629.35236
5740.0000 -187.65587 -181.77389 5.88197 2.21630 -181.83430 574.22293
5745.0000 -187.85275 -181.73990 6.11285 2.22898 -181.60884 580.84921
5750.0000 -186.53081 -181.30263 5.22818 2.24964 -181.24135 602.39719
FREEZING PROCESS: loop number 24 T-loop= 575.00000000000000
main_MD> interactions number 24 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10866 -0.91712 -0.80365
force_rgl> df(natom) -3.27286 -1.58622 0.19772
5755.0000 -187.62754 -181.98788 5.63966 2.22585 -181.66437 580.41689
5760.0000 -187.98239 -182.24736 5.73503 2.18236 -182.43791 544.07987
5765.0000 -187.29917 -180.50373 6.79545 2.23196 -181.55583 595.77219
5770.0000 -187.21803 -182.00803 5.21000 2.27381 -180.81147 622.06112
5775.0000 -187.42323 -181.59972 5.82350 2.25319 -181.17826 602.08163
5780.0000 -188.38557 -182.12468 6.26089 2.21635 -181.83338 576.42152
5785.0000 -186.00997 -180.40441 5.60556 2.26170 -181.02680 620.53972
5790.0000 -187.54792 -180.80963 6.73829 2.33108 -179.79291 660.45893
5795.0000 -187.44288 -181.71325 5.72963 2.22303 -181.71453 588.94430
5800.0000 -188.22054 -182.42062 5.79992 2.17265 -182.61050 556.04698
5805.0000 -187.47026 -181.62491 5.84536 2.18595 -182.37397 556.28501
5810.0000 -187.91688 -181.98149 5.93539 2.20900 -181.96415 595.33718
5815.0000 -188.77493 -182.69380 6.08114 2.17715 -182.53049 582.00913
5820.0000 -190.09593 -182.98790 7.10803 2.14190 -183.15754 582.01460
5825.0000 -189.17252 -184.47915 4.69337 2.10530 -183.80829 548.08040
5830.0000 -189.02369 -183.71146 5.31223 2.10742 -183.77070 562.79021
5835.0000 -188.16090 -183.03271 5.12820 2.14991 -183.01500 567.38447
5840.0000 -189.40839 -183.93158 5.47681 2.11544 -183.62805 542.03822
5845.0000 -188.62028 -183.48206 5.13822 2.11743 -183.59258 549.09122
5850.0000 -188.19758 -182.18363 6.01395 2.14750 -183.05791 565.07090
5855.0000 -188.19437 -182.54135 5.65301 2.18228 -182.43936 583.04714
5860.0000 -188.37866 -183.07119 5.30747 2.15925 -182.84881 553.59612
5865.0000 -187.43747 -182.90129 4.53618 2.15165 -182.98400 567.54075
5870.0000 -187.58076 -182.80648 4.77428 2.19229 -182.26134 583.67445
5875.0000 -187.57573 -182.42945 5.14628 2.17770 -182.52085 544.69901
5880.0000 -187.79628 -183.06706 4.72922 2.19724 -182.17328 581.80655
5885.0000 -187.50501 -181.91842 5.58658 2.19504 -182.21230 588.53435
5890.0000 -187.22268 -181.94103 5.28165 2.23930 -181.42524 586.21679
5895.0000 -187.92708 -182.74944 5.17764 2.21279 -181.89663 574.70877
5900.0000 -187.65709 -182.20388 5.45321 2.22369 -181.70279 597.55657
5905.0000 -187.28404 -182.68954 4.59450 2.20569 -182.02305 558.69526
5910.0000 -188.38685 -182.20070 6.18615 2.18362 -182.41543 584.84548
5915.0000 -188.51698 -182.53004 5.98695 2.18902 -182.31951 598.52539
5920.0000 -188.77425 -183.43206 5.34218 2.13836 -183.22042 559.85620
5925.0000 -188.47343 -181.66674 6.80669 2.17169 -182.62772 604.51800
5930.0000 -188.96155 -182.91362 6.04793 2.19515 -182.21040 613.21248
5935.0000 -188.40767 -182.26965 6.13802 2.18490 -182.39276 601.53725
5940.0000 -189.18257 -183.11705 6.06552 2.15402 -182.94192 564.93214
5945.0000 -188.09326 -183.18181 4.91145 2.14476 -183.10652 559.17858
5950.0000 -187.47940 -181.40663 6.07277 2.19452 -182.22163 573.89641
5955.0000 -187.78975 -181.14748 6.64227 2.25194 -181.20044 610.47001
5960.0000 -187.05534 -181.47368 5.58166 2.23466 -181.50774 604.12203
5965.0000 -187.99705 -182.74403 5.25302 2.18825 -182.33321 559.54877
5970.0000 -186.92458 -181.45401 5.47057 2.17115 -182.63720 548.36429
5975.0000 -186.73245 -180.79639 5.93606 2.25356 -181.17156 611.28092
5980.0000 -187.33258 -182.64519 4.68740 2.21975 -181.77290 589.37970
5985.0000 -188.56424 -182.11770 6.44654 2.19531 -182.20749 569.99217
5990.0000 -186.92934 -181.71360 5.21574 2.21736 -181.81539 586.08863
5995.0000 -187.98798 -182.06811 5.91987 2.21516 -181.85448 593.30319
6000.0000 -187.84978 -183.58976 4.26001 2.13771 -183.23205 525.20619
FREEZING PROCESS: loop number 25 T-loop= 550.00000000000000
main_MD> interactions number 25 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.16908 0.69827 -0.57967
force_rgl> df(natom) 1.82517 -0.62496 -2.53929
6005.0000 -188.75678 -182.23143 6.52535 2.16299 -182.78241 571.62878
6010.0000 -188.87409 -183.59453 5.27956 2.15795 -182.87209 585.28366
6015.0000 -188.42913 -182.14425 6.28488 2.13552 -183.27098 538.54447
6020.0000 -187.50279 -181.99450 5.50829 2.19208 -182.26498 581.03006
6025.0000 -187.07283 -181.43455 5.63828 2.21748 -181.81331 595.73318
6030.0000 -187.08576 -181.22395 5.86181 2.25660 -181.11757 611.65710
6035.0000 -188.31127 -182.76307 5.54820 2.20088 -182.10860 569.72356
6040.0000 -186.74888 -181.51618 5.23271 2.18405 -182.40788 544.30086
6045.0000 -187.67559 -181.85336 5.82223 2.24622 -181.30224 611.08917
6050.0000 -189.20695 -184.08321 5.12373 2.14594 -183.08552 538.36001
6055.0000 -189.58275 -184.14433 5.43842 2.08923 -184.09419 504.50651
6060.0000 -187.89679 -182.86114 5.03565 2.14528 -183.09733 547.04272
6065.0000 -188.17297 -182.45959 5.71339 2.16796 -182.69399 567.02073
6070.0000 -187.86676 -182.30195 5.56481 2.21107 -181.92728 550.49037
6075.0000 -188.34853 -184.03881 4.30972 2.14557 -183.09224 513.41087
6080.0000 -188.00398 -181.86026 6.14371 2.14166 -183.16180 523.04654
6085.0000 -188.04274 -182.77184 5.27090 2.17529 -182.56362 560.97082
6090.0000 -188.34576 -183.02664 5.31912 2.14544 -183.09454 534.50380
6095.0000 -188.62688 -183.03122 5.59567 2.13777 -183.23092 526.65618
6100.0000 -188.13316 -183.16218 4.97098 2.16909 -182.67389 569.51868
6105.0000 -187.87828 -182.88255 4.99573 2.16355 -182.77243 558.65506
6110.0000 -188.17779 -183.19347 4.98432 2.14432 -183.11446 536.53457
6115.0000 -187.78263 -182.50249 5.28014 2.13376 -183.30223 529.79412
6120.0000 -187.23698 -182.65962 4.57736 2.18244 -182.43639 574.25151
6125.0000 -188.47290 -182.60539 5.86751 2.21602 -181.83920 610.45156
6130.0000 -188.71211 -183.39046 5.32165 2.16427 -182.75968 564.11106
6135.0000 -189.21866 -184.26441 4.95425 2.11058 -183.71440 517.97270
6140.0000 -188.07755 -182.73131 5.34625 2.12333 -183.48766 516.16961
6145.0000 -187.84628 -182.35786 5.48841 2.15062 -183.00229 535.15115
6150.0000 -188.29189 -181.93015 6.36174 2.19511 -182.21109 574.80632
6155.0000 -187.79502 -182.38728 5.40775 2.19941 -182.13471 578.71223
6160.0000 -188.31079 -182.24993 6.06086 2.17861 -182.50466 574.21675
6165.0000 -189.48090 -183.72311 5.75779 2.14693 -183.06804 524.87914
6170.0000 -189.04216 -183.80736 5.23480 2.10486 -183.81617 534.22241
6175.0000 -188.90256 -184.27712 4.62544 2.07950 -184.26721 523.35497
6180.0000 -190.05328 -183.88047 6.17281 2.08135 -184.23432 510.34156
6185.0000 -188.74021 -183.03470 5.70551 2.08596 -184.15235 518.73341
6190.0000 -187.76088 -183.12532 4.63557 2.16201 -182.79987 575.97068
6195.0000 -188.88288 -183.25677 5.62611 2.12042 -183.53939 526.71879
6200.0000 -188.35191 -183.34221 5.00970 2.11205 -183.68827 521.08212
6205.0000 -187.86212 -181.63746 6.22466 2.16295 -182.78308 554.35482
6210.0000 -187.13059 -182.92399 4.20660 2.16799 -182.69354 546.44616
6215.0000 -187.47047 -182.20874 5.26172 2.18812 -182.33553 542.38797
6220.0000 -187.25772 -182.56549 4.69222 2.19836 -182.15334 570.74483
6225.0000 -187.70208 -183.29426 4.40782 2.18449 -182.40008 567.72895
6230.0000 -188.76210 -183.85665 4.90544 2.10946 -183.73444 524.37305
6235.0000 -188.82128 -183.51360 5.30768 2.12120 -183.52557 518.40663
6240.0000 -188.47100 -182.65837 5.81263 2.15401 -182.94213 529.92819
6245.0000 -187.34095 -182.57621 4.76474 2.16089 -182.81964 536.02786
6250.0000 -187.95088 -182.92820 5.02268 2.19064 -182.29061 559.52117
FREEZING PROCESS: loop number 26 T-loop= 525.00000000000000
main_MD> interactions number 26 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.13949 -1.03012 -0.20944
force_rgl> df(natom) -0.12686 -3.63539 -0.41744
6255.0000 -187.83961 -182.86744 4.97217 2.15382 -182.94540 531.58791
6260.0000 -188.29957 -183.00871 5.29086 2.15644 -182.89890 531.17802
6265.0000 -186.94878 -181.92799 5.02080 2.17804 -182.51474 561.42321
6270.0000 -189.01358 -182.97331 6.04027 2.17384 -182.58934 546.71663
6275.0000 -188.69341 -183.44090 5.25251 2.15584 -182.90947 552.75372
6280.0000 -188.33330 -182.59785 5.73545 2.13881 -183.21237 533.74980
6285.0000 -189.72616 -184.79343 4.93273 2.11260 -183.67859 512.60862
6290.0000 -188.88832 -183.51980 5.36852 2.10225 -183.86259 505.60293
6295.0000 -187.90721 -183.11500 4.79221 2.11957 -183.55459 504.17097
6300.0000 -188.44431 -183.55470 4.88961 2.15978 -182.83939 530.16797
6305.0000 -188.89439 -183.94815 4.94624 2.09418 -184.00614 493.44953
6310.0000 -188.07166 -183.43184 4.63981 2.10170 -183.87242 497.83114
6315.0000 -187.62323 -182.84334 4.77989 2.15362 -182.94906 534.61890
6320.0000 -189.06041 -183.20359 5.85682 2.13701 -183.24437 529.33383
6325.0000 -188.76067 -184.23964 4.52103 2.10313 -183.84692 510.85823
6330.0000 -188.49424 -184.10573 4.38851 2.08996 -184.08126 508.42150
6335.0000 -188.36114 -183.29108 5.07006 2.09746 -183.94785 484.13403
6340.0000 -189.54253 -184.51411 5.02842 2.13515 -183.27756 532.00787
6345.0000 -189.58913 -184.89305 4.69609 2.06322 -184.55667 497.21150
6350.0000 -190.23312 -185.60340 4.62972 2.01471 -185.41942 471.20657
6355.0000 -189.74687 -184.75659 4.99028 2.03221 -185.10825 496.77432
6360.0000 -189.39119 -184.78705 4.60414 2.04614 -184.86045 503.08904
6365.0000 -189.62073 -184.52626 5.09447 2.04017 -184.96667 489.32230
6370.0000 -189.29903 -183.97395 5.32508 2.07470 -184.35249 526.12516
6375.0000 -190.34808 -185.11791 5.23017 2.06082 -184.59943 498.47472
6380.0000 -189.65055 -184.06809 5.58245 2.05273 -184.74324 505.60430
6385.0000 -188.81317 -183.67256 5.14061 2.12305 -183.49271 559.78917
6390.0000 -189.70712 -184.90706 4.80006 2.10174 -183.87165 555.32780
6395.0000 -189.44412 -185.65316 3.79096 2.01509 -185.41266 477.47680
6400.0000 -189.86655 -185.62992 4.23664 2.01169 -185.47315 478.65702
6405.0000 -189.51923 -184.81258 4.70665 2.02517 -185.23336 487.10322
6410.0000 -189.09259 -184.26921 4.82338 2.05861 -184.63873 506.87722
6415.0000 -188.37082 -182.33399 6.03683 2.12852 -183.39549 564.00340
6420.0000 -188.80133 -184.16608 4.63524 2.12352 -183.48441 532.75904
6425.0000 -189.05736 -183.58942 5.46795 2.08690 -184.13555 497.06904
6430.0000 -188.42938 -184.21052 4.21886 2.09647 -183.96548 489.37138
6435.0000 -188.93920 -183.99047 4.94873 2.08467 -184.17521 506.47932
6440.0000 -188.55446 -182.82669 5.72776 2.14710 -183.06504 542.98703
6445.0000 -188.61688 -183.39150 5.22538 2.18323 -182.42235 568.89623
6450.0000 -188.93569 -183.78597 5.14972 2.12259 -183.50084 522.72236
6455.0000 -188.52860 -183.26669 5.26191 2.08734 -184.12775 508.11615
6460.0000 -187.79615 -182.55586 5.24029 2.17254 -182.61254 562.99876
6465.0000 -189.28558 -184.02086 5.26472 2.15906 -182.85227 533.21800
6470.0000 -188.81746 -185.06814 3.74931 2.07111 -184.41646 487.51997
6475.0000 -188.83159 -183.72004 5.11155 2.07435 -184.35887 492.47480
6480.0000 -189.30908 -183.55714 5.75194 2.10831 -183.75484 531.72364
6485.0000 -188.92671 -183.84436 5.08235 2.10729 -183.77295 524.92806
6490.0000 -189.45213 -183.94398 5.50815 2.08765 -184.12223 519.41442
6495.0000 -190.62131 -186.17606 4.44525 2.04134 -184.94583 492.40511
6500.0000 -189.61956 -184.17068 5.44888 2.03562 -185.04759 488.24906
FREEZING PROCESS: loop number 27 T-loop= 500.00000000000000
main_MD> interactions number 27 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.14945 0.89846 -4.14286
force_rgl> df(natom) -1.79018 1.54755 2.01546
6505.0000 -189.06729 -183.95977 5.10753 2.07080 -184.42192 523.23006
6510.0000 -188.73834 -183.58533 5.15301 2.07846 -184.28577 523.72691
6515.0000 -189.27096 -184.27620 4.99476 2.10293 -183.85058 545.91085
6520.0000 -190.22380 -185.34982 4.87398 2.04726 -184.84057 486.27881
6525.0000 -190.45202 -185.71290 4.73913 2.01351 -185.44079 467.79524
6530.0000 -189.84425 -184.83035 5.01390 2.01658 -185.38612 476.98507
6535.0000 -188.90077 -184.54158 4.35919 2.04702 -184.84476 489.21926
6540.0000 -189.88671 -185.18571 4.70100 2.06335 -184.55436 481.43542
6545.0000 -189.27592 -184.09292 5.18300 2.06789 -184.47362 488.04959
6550.0000 -189.25704 -183.85598 5.40107 2.09601 -183.97358 505.98549
6555.0000 -189.24645 -184.71744 4.52901 2.06913 -184.45159 501.40656
6560.0000 -189.01092 -183.70598 5.30493 2.09898 -183.92080 535.75155
6565.0000 -189.06483 -184.54187 4.52296 2.05522 -184.69909 504.33086
6570.0000 -189.64923 -184.26339 5.38585 2.06577 -184.51135 511.97363
6575.0000 -190.74736 -184.97092 5.77644 2.03294 -185.09517 519.56656
6580.0000 -189.15780 -183.85842 5.29938 2.07679 -184.31534 548.23473
6585.0000 -190.21395 -185.42503 4.78893 2.06121 -184.59250 525.46481
6590.0000 -190.46363 -185.43003 5.03360 2.02655 -185.20896 492.54565
6595.0000 -190.29401 -185.60167 4.69234 2.00113 -185.66103 490.70267
6600.0000 -189.55590 -184.67826 4.87763 2.01726 -185.37414 495.68300
6605.0000 -189.61220 -184.92141 4.69079 2.04434 -184.89254 486.31605
6610.0000 -189.13686 -184.17041 4.96645 2.07659 -184.31899 516.70887
6615.0000 -188.85004 -183.73730 5.11274 2.11070 -183.71236 563.09414
6620.0000 -190.40523 -185.43538 4.96984 2.04415 -184.89592 511.73961
6625.0000 -189.32690 -184.17366 5.15324 2.01157 -185.47526 484.10865
6630.0000 -188.99676 -184.37275 4.62401 2.08870 -184.10361 538.47585
6635.0000 -190.43053 -184.94801 5.48252 2.04648 -184.85442 502.24532
6640.0000 -189.77749 -185.11180 4.66568 2.04777 -184.83149 496.64719
6645.0000 -190.55702 -185.86251 4.69452 2.01179 -185.47135 478.59558
6650.0000 -190.31519 -185.19757 5.11763 2.02742 -185.19349 485.36608
6655.0000 -190.18623 -185.29914 4.88709 2.01502 -185.41393 479.15123
6660.0000 -190.02500 -185.39072 4.63428 2.02358 -185.26165 477.12603
6665.0000 -189.37751 -184.55233 4.82517 2.02096 -185.30827 466.59402
6670.0000 -188.90784 -185.49438 3.41346 2.05243 -184.74860 495.62517
6675.0000 -188.39195 -184.11911 4.27284 2.03931 -184.98195 463.82636
6680.0000 -189.25840 -184.73375 4.52465 2.07044 -184.42833 501.31415
6685.0000 -189.74400 -185.11811 4.62589 2.05386 -184.72315 493.11248
6690.0000 -190.14875 -185.30709 4.84166 2.02460 -185.24364 488.64715
6695.0000 -190.23820 -185.06459 5.17362 2.03305 -185.09335 494.72393
6700.0000 -189.45637 -184.66014 4.79623 2.01678 -185.38261 462.93676
6705.0000 -190.35628 -185.51129 4.84499 2.04837 -184.82086 496.38179
6710.0000 -190.32619 -185.20494 5.12125 2.01705 -185.37785 477.65668
6715.0000 -189.70394 -184.82282 4.88111 2.04343 -184.90867 492.36911
6720.0000 -190.15175 -185.90252 4.24922 2.03472 -185.06353 503.31502
6725.0000 -190.16924 -184.95908 5.21016 2.01469 -185.41977 518.91683
6730.0000 -190.61036 -185.32639 5.28397 2.01207 -185.46646 527.21223
6735.0000 -189.63012 -184.65822 4.97190 2.03940 -184.98037 542.46984
6740.0000 -191.18642 -185.60734 5.57908 1.98420 -185.96205 506.51085
6745.0000 -189.96139 -184.69422 5.26717 2.01161 -185.47460 524.74307
6750.0000 -190.74688 -185.54993 5.19694 2.01947 -185.33477 526.62319
FREEZING PROCESS: loop number 28 T-loop= 475.00000000000000
main_MD> interactions number 28 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02188 -0.15487 1.23254
force_rgl> df(natom) -2.42283 -2.33650 -0.30325
6755.0000 -192.40337 -187.29421 5.10915 1.91992 -187.10520 458.02873
6760.0000 -190.64271 -185.70905 4.93365 1.96074 -186.37922 484.71005
6765.0000 -191.67777 -187.40223 4.27554 1.97320 -186.15763 497.56190
6770.0000 -192.28787 -188.16606 4.12182 1.88763 -187.67955 426.60461
6775.0000 -191.85293 -187.30442 4.54851 1.90872 -187.30435 444.74877
6780.0000 -191.14371 -186.55809 4.58562 1.93296 -186.87330 457.77306
6785.0000 -190.99403 -186.59641 4.39762 1.93533 -186.83118 467.54723
6790.0000 -190.86083 -185.29473 5.56610 1.99478 -185.77383 513.84805
6795.0000 -191.14035 -186.27255 4.86779 1.96316 -186.33630 491.95005
6800.0000 -190.65329 -185.69476 4.95853 1.97269 -186.16670 495.66918
6805.0000 -191.00607 -186.09804 4.90803 1.99718 -185.73127 521.04112
6810.0000 -191.33142 -186.45573 4.87569 1.96175 -186.36130 512.56228
6815.0000 -191.77918 -186.80473 4.97446 1.92334 -187.04437 479.65996
6820.0000 -191.54986 -186.95961 4.59025 1.91926 -187.11691 474.81755
6825.0000 -191.64955 -187.58668 4.06287 1.91422 -187.20663 472.44582
6830.0000 -192.57771 -187.74767 4.83003 1.87247 -187.94905 435.19702
6835.0000 -192.22923 -186.91932 5.30992 1.92301 -187.05025 474.20125
6840.0000 -191.82806 -187.47333 4.35473 1.92031 -187.09835 472.16628
6845.0000 -191.15504 -186.52479 4.63025 1.91797 -187.13997 474.10940
6850.0000 -191.29763 -187.05633 4.24130 1.93293 -186.87379 487.25427
6855.0000 -191.32733 -186.57064 4.75669 1.94913 -186.58583 500.76315
6860.0000 -191.50743 -187.38056 4.12687 1.94025 -186.74364 490.00730
6865.0000 -191.91541 -187.16885 4.74656 1.92062 -187.09274 471.63927
6870.0000 -192.09032 -187.32050 4.76982 1.93303 -186.87216 483.86582
6875.0000 -191.42266 -186.84913 4.57353 1.90849 -187.30856 461.46080
6880.0000 -192.38599 -187.54466 4.84133 1.92967 -186.93177 483.30447
6885.0000 -191.65657 -186.87036 4.78622 1.91148 -187.25528 465.84653
6890.0000 -192.18105 -187.18394 4.99711 1.90435 -187.38210 462.61375
6895.0000 -191.75474 -187.24874 4.50600 1.90566 -187.35880 466.78800
6900.0000 -192.06935 -187.38400 4.68535 1.91079 -187.26758 465.93443
6905.0000 -192.04105 -187.59549 4.44556 1.89855 -187.48527 455.43953
6910.0000 -191.82637 -187.47681 4.34956 1.89777 -187.49909 454.45009
6915.0000 -191.42353 -187.09683 4.32670 1.88951 -187.64601 449.40510
6920.0000 -191.53898 -186.81243 4.72654 1.91674 -187.16182 474.95125
6925.0000 -190.76610 -185.80086 4.96524 1.92832 -186.95584 477.97035
6930.0000 -191.15047 -186.52935 4.62112 1.95303 -186.51644 498.87950
6935.0000 -191.35814 -186.73041 4.62774 1.95693 -186.44701 507.33901
6940.0000 -191.37149 -186.74152 4.62997 1.93391 -186.85647 488.67219
6945.0000 -192.17980 -187.39998 4.77982 1.91284 -187.23123 467.17588
6950.0000 -191.36560 -187.30186 4.06373 1.91094 -187.26490 466.50345
6955.0000 -191.41664 -186.85038 4.56626 1.92934 -186.93779 476.11385
6960.0000 -191.33367 -187.48580 3.84787 1.92517 -187.01194 474.81888
6965.0000 -192.14735 -188.17743 3.96992 1.89553 -187.53910 452.21314
6970.0000 -191.98677 -187.19510 4.79167 1.89649 -187.52188 456.14294
6975.0000 -191.94381 -187.03019 4.91362 1.92525 -187.01053 473.96694
6980.0000 -192.24843 -187.78508 4.46335 1.90728 -187.32996 465.98022
6985.0000 -191.58344 -187.16006 4.42338 1.89021 -187.63354 452.66769
6990.0000 -192.05507 -187.81908 4.23599 1.86954 -188.00130 431.49702
6995.0000 -191.97396 -187.33040 4.64357 1.89240 -187.59463 451.96311
7000.0000 -191.47781 -187.29118 4.18663 1.90442 -187.38084 469.59173
FREEZING PROCESS: loop number 29 T-loop= 450.00000000000000
main_MD> interactions number 29 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.52048 1.03234 -2.43068
force_rgl> df(natom) 1.53321 -0.33712 -0.34379
7005.0000 -190.98657 -186.43332 4.55325 1.90729 -187.32984 460.32010
7010.0000 -191.58662 -186.51691 5.06971 1.94576 -186.64563 493.61917
7015.0000 -191.35970 -186.91995 4.43975 1.95545 -186.47333 496.72936
7020.0000 -191.98314 -186.83063 5.15251 1.91654 -187.16529 471.28847
7025.0000 -191.60664 -186.77336 4.83328 1.93175 -186.89484 477.06370
7030.0000 -191.83810 -187.68536 4.15274 1.88899 -187.65525 445.17824
7035.0000 -191.71556 -187.74006 3.97549 1.87841 -187.84342 438.42685
7040.0000 -191.65142 -187.69623 3.95520 1.88111 -187.79554 437.94277
7045.0000 -192.39505 -187.98041 4.41464 1.86058 -188.16054 422.52850
7050.0000 -191.39816 -187.02533 4.37282 1.88204 -187.77901 440.09697
7055.0000 -192.93858 -188.49847 4.44011 1.89471 -187.55368 446.90952
7060.0000 -191.84417 -187.93825 3.90592 1.83223 -188.66474 404.00885
7065.0000 -192.39434 -187.71778 4.67656 1.86293 -188.11884 424.43009
7070.0000 -192.33177 -187.42573 4.90604 1.89109 -187.61801 451.43387
7075.0000 -192.20099 -187.81867 4.38233 1.86997 -187.99359 440.94741
7080.0000 -191.88259 -187.95120 3.93139 1.85497 -188.26037 422.65058
7085.0000 -193.01478 -188.78483 4.22995 1.86050 -188.16197 424.58274
7090.0000 -191.82190 -187.53512 4.28678 1.85868 -188.19440 429.23767
7095.0000 -191.75977 -187.17726 4.58250 1.88316 -187.75903 442.70559
7100.0000 -192.06522 -187.30295 4.76227 1.89586 -187.53310 453.10587
7105.0000 -192.34313 -188.11692 4.22621 1.90172 -187.42899 459.62695
7110.0000 -192.22272 -187.91288 4.30984 1.86578 -188.06805 430.10849
7115.0000 -192.21692 -187.54122 4.67570 1.89432 -187.56059 450.73816
7120.0000 -192.06519 -187.76207 4.30312 1.90142 -187.43422 460.26600
7125.0000 -192.39464 -187.68356 4.71108 1.89311 -187.58211 452.64724
7130.0000 -191.96804 -187.40175 4.56629 1.89611 -187.52878 457.19836
7135.0000 -191.73880 -187.15674 4.58206 1.91544 -187.18485 471.23623
7140.0000 -191.67829 -186.91491 4.76337 1.92682 -186.98261 475.54198
7145.0000 -191.21795 -187.17176 4.04619 1.90877 -187.30351 466.44662
7150.0000 -192.11773 -188.45401 3.66371 1.89558 -187.53818 449.97651
7155.0000 -192.30096 -188.14404 4.15691 1.85304 -188.29471 417.41277
7160.0000 -192.55456 -188.51075 4.04382 1.87123 -187.97121 431.90505
7165.0000 -192.01575 -187.27278 4.74297 1.88864 -187.66152 449.79569
7170.0000 -192.17876 -187.77825 4.40052 1.90736 -187.32868 463.96113
7175.0000 -192.63356 -188.61865 4.01490 1.86176 -188.13954 431.24268
7180.0000 -192.11843 -188.04006 4.07838 1.88538 -187.71949 447.10239
7185.0000 -191.79384 -187.30748 4.48636 1.90122 -187.43778 455.83841
7190.0000 -191.83845 -186.41453 5.42392 1.92495 -187.01571 477.54461
7195.0000 -192.03163 -187.56610 4.46553 1.93133 -186.90238 484.31088
7200.0000 -191.67698 -187.75394 3.92304 1.89708 -187.51142 457.08700
7205.0000 -191.99793 -186.98862 5.00931 1.87962 -187.82196 439.90261
7210.0000 -191.20709 -186.46334 4.74375 1.94484 -186.66211 495.26434
7215.0000 -190.97832 -186.49060 4.48771 1.96926 -186.22772 507.19442
7220.0000 -191.78837 -187.07963 4.70873 1.93365 -186.86106 484.70849
7225.0000 -192.21169 -188.04262 4.16906 1.89381 -187.56965 452.16768
7230.0000 -191.49472 -186.48088 5.01384 1.94068 -186.73600 490.14943
7235.0000 -192.48390 -187.91749 4.56641 1.90651 -187.34369 464.23112
7240.0000 -192.34569 -188.40454 3.94115 1.85013 -188.34647 417.30555
7245.0000 -191.90953 -188.43838 3.47115 1.86580 -188.06766 432.61864
7250.0000 -192.28870 -188.50993 3.77876 1.83018 -188.70117 399.38646
FREEZING PROCESS: loop number 30 T-loop= 425.00000000000000
main_MD> interactions number 30 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00404 2.10061 -0.29838
force_rgl> df(natom) -0.55983 1.09375 -1.20049
7255.0000 -192.35671 -188.26161 4.09510 1.85921 -188.18498 421.63560
7260.0000 -192.28189 -188.05480 4.22709 1.87225 -187.95297 434.76723
7265.0000 -193.04299 -188.99471 4.04827 1.84712 -188.40000 413.70800
7270.0000 -192.12885 -188.18289 3.94596 1.83263 -188.65761 400.06246
7275.0000 -192.52920 -188.78603 3.74317 1.85291 -188.29695 415.30599
7280.0000 -192.83281 -188.80570 4.02711 1.83972 -188.53153 407.92359
7285.0000 -192.55971 -188.38347 4.17624 1.83077 -188.69070 399.86084
7290.0000 -191.97377 -188.07341 3.90036 1.84836 -188.37790 417.38990
7295.0000 -192.64295 -188.61874 4.02421 1.87582 -187.88948 442.50965
7300.0000 -192.71515 -189.15679 3.55836 1.84087 -188.51111 408.64486
7305.0000 -192.09816 -188.27839 3.81977 1.82074 -188.86913 394.67975
7310.0000 -192.09657 -187.58364 4.51293 1.87910 -187.83120 449.28560
7315.0000 -191.62352 -187.25281 4.37071 1.90952 -187.29015 462.04362
7320.0000 -191.93679 -187.50423 4.43256 1.93401 -186.85462 481.39748
7325.0000 -192.86115 -188.31455 4.54660 1.86757 -188.03618 429.31439
7330.0000 -192.88220 -189.05520 3.82701 1.82848 -188.73142 393.75865
7335.0000 -193.08077 -188.84549 4.23527 1.82882 -188.72540 396.92782
7340.0000 -192.10928 -188.11218 3.99710 1.86100 -188.15313 429.96617
7345.0000 -192.37161 -189.03477 3.33684 1.86394 -188.10085 427.48009
7350.0000 -192.41475 -188.11621 4.29855 1.85577 -188.24619 422.39883
7355.0000 -192.25485 -188.79346 3.46140 1.83509 -188.61383 398.77436
7360.0000 -191.63682 -187.14322 4.49360 1.85106 -188.32990 420.25174
7365.0000 -191.77755 -187.89353 3.88402 1.90081 -187.44511 460.04024
7370.0000 -192.21771 -187.07417 5.14354 1.87976 -187.81954 442.01402
7375.0000 -191.93400 -187.13838 4.79562 1.92410 -187.03093 477.16688
7380.0000 -192.31926 -188.60399 3.71527 1.87275 -187.94419 431.30875
7385.0000 -191.69868 -187.55470 4.14398 1.85954 -188.17913 423.97344
7390.0000 -192.51704 -188.41326 4.10378 1.87111 -187.97323 434.28516
7395.0000 -192.51558 -188.67761 3.83797 1.83488 -188.61769 407.01776
7400.0000 -191.92264 -188.42559 3.49705 1.84251 -188.48201 413.72405
7405.0000 -192.45559 -188.46408 3.99151 1.82105 -188.86363 389.93234
7410.0000 -191.59287 -187.55556 4.03732 1.86317 -188.11450 426.16575
7415.0000 -191.69391 -186.99658 4.69733 1.89937 -187.47076 452.51773
7420.0000 -191.58946 -187.17682 4.41264 1.92413 -187.03032 471.76946
7425.0000 -192.07866 -187.00164 5.07702 1.91470 -187.19813 469.13058
7430.0000 -192.04436 -187.76925 4.27510 1.90341 -187.39891 461.57044
7435.0000 -192.68647 -188.85518 3.83128 1.84932 -188.36090 418.09152
7440.0000 -193.23138 -189.34978 3.88160 1.82144 -188.85674 394.30947
7445.0000 -192.97573 -188.58727 4.38846 1.83156 -188.67669 401.81074
7450.0000 -192.68108 -188.47227 4.20881 1.85121 -188.32716 415.85628
7455.0000 -192.29709 -188.52159 3.77550 1.84040 -188.51955 407.78715
7460.0000 -192.24079 -188.12967 4.11112 1.84462 -188.44439 409.29895
7465.0000 -192.50454 -188.36721 4.13733 1.86370 -188.10510 425.69336
7470.0000 -192.44270 -187.71619 4.72650 1.85525 -188.25530 423.06747
7475.0000 -192.81013 -188.61995 4.19018 1.85463 -188.26647 419.96800
7480.0000 -192.81718 -188.98734 3.82984 1.81762 -188.92456 389.00905
7485.0000 -191.08587 -187.59949 3.48638 1.86425 -188.09539 422.54591
7490.0000 -192.49882 -188.46027 4.03855 1.87696 -187.86927 438.19474
7495.0000 -192.30212 -188.61974 3.68239 1.82905 -188.72132 399.42170
7500.0000 -192.30249 -188.83067 3.47182 1.82611 -188.77360 397.34836
FREEZING PROCESS: loop number 31 T-loop= 400.00000000000000
main_MD> interactions number 31 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.27260 -0.77665 0.14752
force_rgl> df(natom) -0.59733 0.30172 -3.22445
7505.0000 -192.80940 -189.58064 3.22876 1.81184 -189.02745 383.55537
7510.0000 -193.15782 -189.82523 3.33260 1.76891 -189.79095 350.65152
7515.0000 -193.05773 -189.16608 3.89165 1.78667 -189.47506 364.26677
7520.0000 -192.08071 -188.39304 3.68767 1.82993 -188.70573 397.64100
7525.0000 -192.31533 -187.52461 4.79073 1.86219 -188.13200 425.20958
7530.0000 -192.22005 -188.80910 3.41096 1.87729 -187.86344 436.02401
7535.0000 -192.18635 -188.64009 3.54627 1.82650 -188.76664 400.64973
7540.0000 -192.63825 -188.50467 4.13358 1.83526 -188.61096 406.57359
7545.0000 -191.90014 -188.07176 3.82838 1.84212 -188.48887 411.84265
7550.0000 -192.26195 -188.12768 4.13428 1.84879 -188.37020 413.88559
7555.0000 -192.12246 -188.14760 3.97487 1.85385 -188.28030 418.80447
7560.0000 -192.74417 -188.93911 3.80506 1.83871 -188.54951 405.79552
7565.0000 -193.02957 -188.80681 4.22276 1.82134 -188.85840 392.58990
7570.0000 -192.83628 -189.03627 3.80001 1.82271 -188.83413 392.75639
7575.0000 -192.87560 -189.06490 3.81070 1.81193 -189.02585 385.17934
7580.0000 -192.07584 -188.40580 3.67003 1.82331 -188.82345 399.19092
7585.0000 -192.76468 -188.79940 3.96528 1.85257 -188.30300 417.30894
7590.0000 -192.26842 -187.91816 4.35026 1.85362 -188.28444 417.52714
7595.0000 -192.18084 -188.29615 3.88469 1.83986 -188.52910 408.47415
7600.0000 -192.23152 -188.43065 3.80087 1.82087 -188.86674 390.04201
7605.0000 -192.50540 -189.67902 2.82639 1.84080 -188.51234 408.31872
7610.0000 -192.49860 -188.70679 3.79181 1.79040 -189.40865 367.76639
7615.0000 -192.87050 -189.72483 3.14567 1.79216 -189.37745 366.88130
7620.0000 -193.04646 -189.60986 3.43659 1.77920 -189.60784 354.47694
7625.0000 -192.72097 -188.58968 4.13129 1.81498 -188.97147 391.70171
7630.0000 -192.89527 -189.37934 3.51593 1.80615 -189.12861 377.15477
7635.0000 -191.97207 -188.30423 3.66785 1.81440 -188.98192 387.18921
7640.0000 -192.25620 -188.73691 3.51929 1.84693 -188.40336 413.99274
7645.0000 -192.71003 -188.73423 3.97581 1.83107 -188.68540 397.99640
7650.0000 -193.17595 -189.12644 4.04952 1.82386 -188.81356 395.38963
7655.0000 -192.93832 -188.91218 4.02614 1.81420 -188.98542 386.73389
7660.0000 -192.86152 -189.09051 3.77101 1.81577 -188.95745 383.44023
7665.0000 -192.79566 -189.09804 3.69762 1.80820 -189.09207 381.82306
7670.0000 -192.32026 -188.75660 3.56366 1.82344 -188.82115 394.16520
7675.0000 -192.18567 -187.94534 4.24033 1.83633 -188.59194 403.16838
7680.0000 -192.25930 -188.59471 3.66460 1.85152 -188.32164 419.01491
7685.0000 -192.64457 -189.12406 3.52051 1.82326 -188.82433 397.45257
7690.0000 -192.10014 -188.10124 3.99890 1.83447 -188.62501 404.66468
7695.0000 -193.12696 -189.11908 4.00788 1.85082 -188.33411 416.46892
7700.0000 -192.17614 -188.32147 3.85467 1.84037 -188.52009 409.49978
7705.0000 -192.95089 -188.54607 4.40482 1.83313 -188.64871 403.46045
7710.0000 -192.57133 -189.32143 3.24989 1.81077 -189.04635 392.15097
7715.0000 -192.02373 -188.28315 3.74057 1.84760 -188.39142 418.23982
7720.0000 -192.58579 -188.60475 3.98104 1.83310 -188.64934 404.85686
7725.0000 -192.26437 -188.51329 3.75107 1.82916 -188.71928 398.62391
7730.0000 -192.23844 -188.24568 3.99276 1.83775 -188.56651 408.60919
7735.0000 -193.10068 -189.41887 3.68181 1.83213 -188.66653 399.04038
7740.0000 -192.82081 -189.84206 2.97875 1.78472 -189.50977 361.39532
7745.0000 -193.44582 -189.82181 3.62400 1.80373 -189.17162 379.02969
7750.0000 -192.05508 -188.29267 3.76241 1.81164 -189.03100 387.35051
FREEZING PROCESS: loop number 32 T-loop= 375.00000000000000
main_MD> interactions number 32 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21635 -1.66646 -0.25276
force_rgl> df(natom) -1.83107 -1.07609 -1.70759
7755.0000 -192.32060 -188.97004 3.35056 1.83750 -188.57111 406.29898
7760.0000 -192.16513 -188.37067 3.79446 1.81300 -189.00669 384.28841
7765.0000 -192.49577 -188.37468 4.12108 1.83069 -188.69222 400.69663
7770.0000 -192.36576 -188.34246 4.02329 1.83832 -188.55642 407.44024
7775.0000 -192.71874 -188.81078 3.90796 1.81394 -188.99008 383.39073
7780.0000 -192.73420 -189.04340 3.69080 1.80037 -189.23132 373.41054
7785.0000 -193.07740 -189.04576 4.03165 1.81680 -188.93926 386.07801
7790.0000 -193.06898 -189.44722 3.62176 1.80164 -189.20886 375.06371
7795.0000 -192.59966 -188.92136 3.67830 1.80211 -189.20036 379.05872
7800.0000 -193.06740 -189.38981 3.67759 1.80962 -189.06680 381.79215
7805.0000 -193.23386 -189.44814 3.78572 1.76906 -189.78825 350.35662
7810.0000 -193.05889 -189.56013 3.49876 1.76446 -189.87010 345.28129
7815.0000 -192.72410 -189.41535 3.30876 1.78209 -189.55646 361.31393
7820.0000 -192.99812 -189.19908 3.79904 1.80932 -189.07215 377.59350
7825.0000 -192.70114 -189.29621 3.40492 1.79662 -189.29809 371.31951
7830.0000 -192.40014 -188.81492 3.58522 1.79980 -189.24150 373.84917
7835.0000 -193.19371 -189.93139 3.26232 1.80480 -189.15258 378.16466
7840.0000 -193.76391 -190.40489 3.35902 1.75192 -190.09302 331.38782
7845.0000 -192.79724 -188.86329 3.93395 1.80303 -189.18410 378.85324
7850.0000 -192.49581 -189.35714 3.13867 1.81154 -189.03274 385.82790
7855.0000 -193.06641 -189.70978 3.35663 1.79020 -189.41216 365.47569
7860.0000 -192.84270 -189.35760 3.48509 1.78207 -189.55692 360.72542
7865.0000 -193.19649 -189.06510 4.13139 1.80583 -189.13435 378.75581
7870.0000 -192.75971 -189.54817 3.21155 1.80929 -189.07277 380.60468
7875.0000 -193.06095 -189.32627 3.73467 1.77829 -189.62408 357.11442
7880.0000 -192.64955 -189.55182 3.09773 1.80095 -189.22105 373.60071
7885.0000 -192.36072 -188.75961 3.60112 1.80339 -189.17758 376.28960
7890.0000 -192.98598 -189.79436 3.19161 1.79556 -189.31685 368.87807
7895.0000 -193.18294 -189.89792 3.28502 1.76742 -189.81732 346.44036
7900.0000 -193.35837 -189.67428 3.68409 1.77158 -189.74341 348.25429
7905.0000 -193.08256 -189.13232 3.95024 1.79155 -189.38828 370.98146
7910.0000 -192.73467 -189.46431 3.27036 1.80426 -189.16217 376.69591
7915.0000 -192.41548 -188.73337 3.68211 1.84383 -188.45844 411.82034
7920.0000 -192.96450 -189.31429 3.65021 1.81656 -188.94339 388.43773
7925.0000 -193.04723 -189.01792 4.02931 1.79573 -189.31389 370.73749
7930.0000 -192.06719 -188.70551 3.36168 1.83221 -188.66505 403.51377
7935.0000 -193.17294 -189.65509 3.51785 1.80444 -189.15898 377.84018
7940.0000 -192.70232 -189.06702 3.63531 1.79167 -189.38604 363.91902
7945.0000 -192.15898 -188.62322 3.53576 1.81255 -189.01482 383.12032
7950.0000 -192.63662 -188.61786 4.01876 1.82365 -188.81728 396.46488
7955.0000 -192.82428 -189.16606 3.65822 1.80941 -189.07059 383.47627
7960.0000 -193.40494 -190.01565 3.38929 1.77524 -189.67823 352.89536
7965.0000 -193.26749 -189.24444 4.02305 1.76138 -189.92481 339.40942
7970.0000 -192.80442 -188.82828 3.97614 1.79826 -189.26893 370.43173
7975.0000 -192.68938 -189.58111 3.10827 1.81480 -188.97481 384.39592
7980.0000 -192.90489 -189.97376 2.93113 1.79135 -189.39179 366.16350
7985.0000 -193.31380 -190.25300 3.06081 1.74878 -190.14882 331.41037
7990.0000 -193.33992 -190.00586 3.33406 1.73332 -190.42382 319.91475
7995.0000 -192.79807 -189.40219 3.39588 1.78005 -189.59276 359.66228
8000.0000 -192.87053 -189.49584 3.37469 1.78267 -189.54613 360.85123
FREEZING PROCESS: loop number 33 T-loop= 350.00000000000000
main_MD> interactions number 33 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80687 -0.00709 0.75912
force_rgl> df(natom) -1.11218 0.75341 2.98536
8005.0000 -193.23371 -189.49738 3.73633 1.76585 -189.84533 344.34763
8010.0000 -193.18051 -190.20766 2.97285 1.75400 -190.05611 334.95236
8015.0000 -193.26386 -190.12853 3.13533 1.76049 -189.94058 342.90350
8020.0000 -193.83919 -190.09813 3.74106 1.74673 -190.18526 328.89562
8025.0000 -193.19350 -190.08058 3.11293 1.74908 -190.14354 329.23579
8030.0000 -192.86973 -189.38658 3.48315 1.77239 -189.72891 351.98909
8035.0000 -193.01061 -190.15538 2.85523 1.77601 -189.66459 352.50351
8040.0000 -193.27118 -189.87340 3.39779 1.74709 -190.17901 330.46758
8045.0000 -193.19419 -189.77520 3.41899 1.75678 -190.00669 334.14402
8050.0000 -193.32206 -189.52435 3.79770 1.78484 -189.50758 360.98416
8055.0000 -193.49699 -190.14271 3.35427 1.76830 -189.80170 346.99071
8060.0000 -193.47374 -189.85675 3.61699 1.76448 -189.86967 344.25763
8065.0000 -192.73215 -188.86514 3.86701 1.81037 -189.05350 382.86479
8070.0000 -192.95639 -188.77782 4.17857 1.81586 -188.95585 386.97193
8075.0000 -192.92080 -189.36313 3.55767 1.80852 -189.08642 379.30001
8080.0000 -193.10741 -189.79864 3.30877 1.79495 -189.32772 373.82369
8085.0000 -193.23653 -190.03154 3.20499 1.76817 -189.80404 348.60319
8090.0000 -193.41635 -189.97989 3.43646 1.78465 -189.51095 366.42948
8095.0000 -192.67185 -188.94227 3.72958 1.78325 -189.53581 358.81466
8100.0000 -192.81247 -189.27811 3.53435 1.78951 -189.42460 364.34804
8105.0000 -193.04173 -189.85413 3.18760 1.78792 -189.45274 362.04014
8110.0000 -193.05922 -189.75311 3.30611 1.77775 -189.63373 356.03340
8115.0000 -193.13977 -189.62079 3.51899 1.74619 -190.19494 327.64064
8120.0000 -192.97698 -189.48734 3.48964 1.76518 -189.85721 342.30729
8125.0000 -192.74843 -188.93764 3.81079 1.79492 -189.32830 367.58465
8130.0000 -193.01571 -189.78062 3.23509 1.79288 -189.36451 368.85053
8135.0000 -193.01896 -189.51676 3.50220 1.78426 -189.51790 362.34552
8140.0000 -192.84218 -189.05774 3.78445 1.79392 -189.34612 370.25051
8145.0000 -192.69586 -189.17312 3.52274 1.80784 -189.09858 381.42537
8150.0000 -193.10376 -189.80443 3.29934 1.78905 -189.43265 365.91004
8155.0000 -193.11379 -189.40445 3.70934 1.78423 -189.51840 360.03570
8160.0000 -192.83938 -189.61153 3.22785 1.80329 -189.17938 376.83227
8165.0000 -193.13544 -189.53479 3.60065 1.78627 -189.48216 361.42809
8170.0000 -192.29102 -189.27242 3.01860 1.78368 -189.52813 361.63102
8175.0000 -193.18504 -189.62094 3.56411 1.79100 -189.39800 370.35828
8180.0000 -192.44567 -189.05292 3.39276 1.79247 -189.37186 366.01668
8185.0000 -193.15767 -189.82050 3.33717 1.79335 -189.35618 368.42631
8190.0000 -193.18381 -189.68902 3.49479 1.78829 -189.44614 363.50699
8195.0000 -192.37803 -189.14336 3.23467 1.80269 -189.19018 374.84175
8200.0000 -193.36720 -189.73106 3.63615 1.78711 -189.46712 364.40607
8205.0000 -192.96711 -189.64485 3.32225 1.76751 -189.81576 346.54117
8210.0000 -193.15987 -189.59935 3.56052 1.76695 -189.82580 347.45032
8215.0000 -193.48032 -190.11638 3.36394 1.77160 -189.74299 348.25728
8220.0000 -193.04996 -189.71571 3.33425 1.75870 -189.97249 341.02724
8225.0000 -193.42222 -190.10180 3.32042 1.77288 -189.72027 350.89497
8230.0000 -193.21344 -189.75331 3.46013 1.76587 -189.84502 347.76811
8235.0000 -193.49302 -190.00234 3.49069 1.76309 -189.89436 347.12160
8240.0000 -193.55467 -189.96612 3.58855 1.76936 -189.78289 347.27776
8245.0000 -193.46632 -189.89429 3.57203 1.77788 -189.63140 355.57141
8250.0000 -192.50565 -189.18630 3.31936 1.79363 -189.35124 369.96332
FREEZING PROCESS: loop number 34 T-loop= 325.00000000000000
main_MD> interactions number 34 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.84314 1.50693 2.86249
force_rgl> df(natom) 1.61717 -2.00079 -1.19884
8255.0000 -193.20203 -189.72069 3.48134 1.77126 -189.74913 351.97332
8260.0000 -193.31028 -190.12990 3.18038 1.75017 -190.12419 331.13919
8265.0000 -193.65141 -190.59432 3.05709 1.73572 -190.38113 318.80626
8270.0000 -193.80147 -190.58405 3.21742 1.72325 -190.60288 307.36794
8275.0000 -193.28194 -190.17255 3.10939 1.76155 -189.92171 341.10845
8280.0000 -193.32108 -190.06805 3.25303 1.74681 -190.18394 328.16748
8285.0000 -193.89602 -190.50090 3.39511 1.74097 -190.28774 321.38751
8290.0000 -193.09966 -190.13583 2.96383 1.73180 -190.45086 317.88135
8295.0000 -193.38794 -189.86556 3.52238 1.76681 -189.82829 345.43702
8300.0000 -193.20083 -189.76250 3.43832 1.77499 -189.68276 354.10167
8305.0000 -193.71851 -190.05738 3.66113 1.74451 -190.22475 326.84994
8310.0000 -193.21033 -190.01018 3.20016 1.74005 -190.30413 323.39536
8315.0000 -193.56504 -190.45661 3.10843 1.74965 -190.13347 334.49776
8320.0000 -193.64743 -190.90591 2.74153 1.71945 -190.67054 305.07342
8325.0000 -193.44296 -190.80806 2.63491 1.70559 -190.91697 292.98157
8330.0000 -193.45873 -190.15384 3.30489 1.72930 -190.49528 311.78860
8335.0000 -193.05976 -190.14759 2.91217 1.75266 -190.07985 334.61500
8340.0000 -193.54301 -189.88131 3.66170 1.75678 -190.00662 338.10662
8345.0000 -193.30228 -189.97001 3.33227 1.73478 -190.39790 319.17374
8350.0000 -193.31256 -190.10603 3.20653 1.74459 -190.22331 324.48625
8355.0000 -193.22896 -190.07717 3.15179 1.74932 -190.13922 328.35640
8360.0000 -194.15151 -190.86389 3.28762 1.71686 -190.71651 303.57092
8365.0000 -193.17075 -190.01154 3.15921 1.73770 -190.34585 322.98606
8370.0000 -193.03383 -190.14499 2.88884 1.75920 -189.96362 340.09686
8375.0000 -193.90778 -190.81563 3.09215 1.72654 -190.54436 312.93836
8380.0000 -193.32155 -190.42820 2.89335 1.72729 -190.53114 312.33872
8385.0000 -193.51003 -190.18030 3.32973 1.74759 -190.17008 328.43204
8390.0000 -193.18273 -189.33794 3.84479 1.76335 -189.88983 341.26021
8395.0000 -193.23278 -190.08670 3.14608 1.76329 -189.89076 342.15858
8400.0000 -193.40141 -189.59873 3.80269 1.75453 -190.04666 334.35519
8405.0000 -193.30982 -190.60973 2.70009 1.74469 -190.22159 326.77338
8410.0000 -193.75107 -190.46016 3.29091 1.73221 -190.44353 315.79540
8415.0000 -193.36557 -190.35403 3.01154 1.73443 -190.40412 321.36578
8420.0000 -193.51260 -190.00622 3.50638 1.73990 -190.30685 324.02567
8425.0000 -193.03260 -189.56843 3.46417 1.76897 -189.78985 349.68047
8430.0000 -193.36246 -189.65307 3.70939 1.78812 -189.44922 364.21610
8435.0000 -192.92521 -189.42416 3.50106 1.79361 -189.35169 369.09535
8440.0000 -193.22442 -189.81418 3.41025 1.76976 -189.77580 350.23201
8445.0000 -193.63192 -190.52243 3.10950 1.75555 -190.02852 335.85110
8450.0000 -193.91695 -190.99457 2.92239 1.71644 -190.72395 304.18139
8455.0000 -193.89859 -191.26667 2.63192 1.68768 -191.23549 276.82660
8460.0000 -193.59047 -190.86205 2.72842 1.70290 -190.96477 290.84137
8465.0000 -193.16767 -190.19606 2.97161 1.72247 -190.61678 309.37229
8470.0000 -193.65915 -190.87533 2.78382 1.72606 -190.55300 313.15169
8475.0000 -193.67187 -190.60974 3.06213 1.71656 -190.72195 303.23359
8480.0000 -193.75430 -190.76211 2.99219 1.72128 -190.63792 307.59744
8485.0000 -193.72608 -190.13431 3.59177 1.70375 -190.94969 293.45671
8490.0000 -193.49656 -190.11234 3.38422 1.74634 -190.19235 330.09645
8495.0000 -193.66326 -190.64348 3.01978 1.74756 -190.17060 328.27659
8500.0000 -193.45950 -190.48895 2.97055 1.73277 -190.43367 317.73526
FREEZING PROCESS: loop number 35 T-loop= 300.00000000000000
main_MD> interactions number 35 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36280 4.08563 -2.16003
force_rgl> df(natom) 0.34215 0.64352 0.30213
8505.0000 -193.84826 -190.92283 2.92543 1.71647 -190.72349 303.56391
8510.0000 -193.72599 -190.85328 2.87272 1.70442 -190.93788 293.56151
8515.0000 -193.68625 -190.88893 2.79732 1.71512 -190.74751 302.75964
8520.0000 -194.07334 -191.36722 2.70612 1.68137 -191.34765 273.42404
8525.0000 -194.12993 -191.38001 2.74992 1.67509 -191.45947 267.29934
8530.0000 -194.10881 -191.07114 3.03768 1.68960 -191.20137 280.42978
8535.0000 -193.85416 -191.14189 2.71227 1.70380 -190.94887 290.36643
8540.0000 -193.87700 -191.27957 2.59743 1.67995 -191.37291 271.25795
8545.0000 -193.90781 -190.84025 3.06756 1.69231 -191.15314 281.06644
8550.0000 -194.08549 -191.24615 2.83933 1.69767 -191.05782 288.74265
8555.0000 -194.34350 -191.62137 2.72213 1.67723 -191.42141 269.18755
8560.0000 -193.59576 -190.81951 2.77625 1.67234 -191.50826 263.31030
8565.0000 -193.97132 -191.15217 2.81915 1.71100 -190.82085 296.47596
8570.0000 -194.01163 -191.10678 2.90484 1.70105 -190.99780 289.00936
8575.0000 -193.99168 -190.94793 3.04374 1.69963 -191.02304 285.09367
8580.0000 -193.62039 -190.87285 2.74754 1.71566 -190.73787 301.84491
8585.0000 -193.76770 -190.93742 2.83028 1.71420 -190.76393 304.67534
8590.0000 -194.12155 -191.12079 3.00076 1.70225 -190.97632 293.95005
8595.0000 -193.76117 -190.67519 3.08598 1.70212 -190.97870 290.75194
8600.0000 -193.44495 -190.76034 2.68461 1.70940 -190.84916 298.73316
8605.0000 -193.86628 -190.33112 3.53517 1.72067 -190.64889 310.47771
8610.0000 -193.63263 -190.54674 3.08589 1.72427 -190.58479 311.01348
8615.0000 -193.29037 -190.40951 2.88086 1.73046 -190.47472 315.68428
8620.0000 -193.44509 -190.06885 3.37623 1.73499 -190.39406 317.82997
8625.0000 -193.75616 -190.77422 2.98195 1.74129 -190.28206 323.22485
8630.0000 -193.36999 -191.13933 2.23066 1.71022 -190.83458 296.12198
8635.0000 -193.45699 -190.77259 2.68440 1.69592 -191.08893 283.93807
8640.0000 -193.67089 -190.87212 2.79877 1.72311 -190.60549 308.58507
8645.0000 -193.99735 -191.45994 2.53741 1.68004 -191.37134 270.95375
8650.0000 -193.92492 -191.39045 2.53447 1.67958 -191.37960 273.90530
8655.0000 -193.90871 -191.04615 2.86256 1.67894 -191.39095 269.67452
8660.0000 -193.05081 -190.50331 2.54750 1.70070 -191.00393 287.87461
8665.0000 -193.39808 -190.49269 2.90538 1.72482 -190.57506 310.31998
8670.0000 -193.82245 -191.21740 2.60504 1.70867 -190.86217 296.66940
8675.0000 -194.22643 -191.34202 2.88441 1.69588 -191.08973 284.75724
8680.0000 -193.42808 -191.11101 2.31707 1.70539 -190.92062 291.99892
8685.0000 -193.83358 -191.61294 2.22064 1.68270 -191.32402 272.18745
8690.0000 -193.88665 -190.94130 2.94535 1.69361 -191.13010 284.34988
8695.0000 -193.96384 -191.38321 2.58063 1.69122 -191.17260 280.07226
8700.0000 -193.91958 -190.51679 3.40279 1.70040 -191.00929 288.87678
8705.0000 -193.61898 -190.94981 2.66917 1.71724 -190.70985 303.76925
8710.0000 -193.00909 -190.43508 2.57401 1.71946 -190.67031 304.54260
8715.0000 -193.98404 -191.34612 2.63792 1.70328 -190.95799 291.25248
8720.0000 -193.79944 -190.34582 3.45361 1.70246 -190.97269 290.93013
8725.0000 -193.35341 -190.17835 3.17506 1.74658 -190.18801 327.74159
8730.0000 -193.97862 -190.89653 3.08209 1.73093 -190.46626 313.66276
8735.0000 -193.92442 -190.82134 3.10308 1.69984 -191.01917 292.12459
8740.0000 -193.90428 -191.17892 2.72537 1.71124 -190.81656 301.66383
8745.0000 -193.74809 -190.75183 2.99626 1.70387 -190.94755 292.20417
8750.0000 -193.48296 -190.55917 2.92379 1.72467 -190.57772 309.31254
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 39.3143375 [s].
main_MD> Deallocating global variables
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