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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_80/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_80.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 = 80 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 80 8000
main_MD> Size of nv and nvoiz: 80 8000
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 = 80
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 2.3874008151911142E-002 5.0653466366398451E-003 6.6513766743157982E-002 initial drift of cluster / NP1 for coalescence
init> 0.26933123972995349 0.31299690344312320 0.31609641369084229 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5802636312827966E-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) -0.69490 2.79665 2.69797
force_rgl> df(natom) 0.11612 -3.20675 3.80359
preparo> THERMALIZATION PROCESS AT 1110.3763344546217
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -178.34414651825384 10.160001554186517 -188.50414807244036 6.5632374144056422E-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 32
FREEZING PROCESS: loop number 1 T-loop= 1087.0000000000000
main_MD> interactions number 1 at Temperature= 1087.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31011 -2.59006 -2.63027
force_rgl> df(natom) 0.20731 0.37289 1.42824
5.0000 -192.30634 -181.70711 10.59923 3.10423 -178.36584 1116.47300
10.0000 -190.08697 -178.57641 11.51055 2.99047 -180.47779 1057.94803
15.0000 -190.04406 -178.71326 11.33080 3.08010 -178.81385 1094.07021
20.0000 -188.32455 -176.85072 11.47383 3.11495 -178.16664 1144.59983
25.0000 -191.65919 -180.48344 11.17575 3.10938 -178.27007 1160.39463
30.0000 -193.24639 -180.62854 12.61785 3.02021 -179.92566 1091.20320
35.0000 -192.77148 -183.35409 9.41740 2.88760 -182.38783 1013.00054
40.0000 -192.25455 -181.80549 10.44906 2.86173 -182.86812 975.78380
45.0000 -192.14040 -181.17545 10.96496 2.89868 -182.18214 1004.66573
50.0000 -188.93332 -177.74290 11.19042 3.05616 -179.25832 1111.34776
55.0000 -191.27794 -180.88478 10.39316 3.08184 -178.78141 1119.22483
60.0000 -191.14829 -179.95035 11.19794 3.02902 -179.76208 1083.97141
65.0000 -193.14590 -180.35199 12.79391 3.01674 -179.99015 1099.64100
70.0000 -192.89783 -181.80451 11.09331 2.99631 -180.36952 1071.60981
75.0000 -188.13004 -176.75312 11.37692 3.04986 -179.37518 1107.43288
80.0000 -190.04014 -179.74388 10.29625 3.15358 -177.44960 1164.51652
85.0000 -192.01088 -180.23658 11.77430 3.03564 -179.63931 1081.19952
90.0000 -191.00382 -179.98279 11.02103 3.03415 -179.66691 1091.79180
95.0000 -190.47498 -178.61643 11.85855 3.10090 -178.42758 1128.31910
100.0000 -190.87675 -180.34127 10.53548 3.00355 -180.23500 1078.00928
105.0000 -189.76087 -178.72690 11.03397 3.06702 -179.05668 1080.26719
110.0000 -188.71908 -177.48560 11.23348 3.13528 -177.78922 1122.29572
115.0000 -190.49725 -180.71342 9.78383 3.07091 -178.98434 1053.47085
120.0000 -192.21764 -181.46459 10.75305 2.96887 -180.87883 1045.39370
125.0000 -192.80627 -181.02767 11.77860 2.96378 -180.97340 1027.91926
130.0000 -190.90459 -180.35725 10.54735 3.03671 -179.61928 1083.12603
135.0000 -191.52234 -179.28109 12.24126 3.04101 -179.53959 1094.79268
140.0000 -189.77561 -178.77554 11.00008 3.03153 -179.71552 1081.79899
145.0000 -188.73179 -177.47252 11.25927 3.07636 -178.88326 1100.30613
150.0000 -188.41948 -177.33277 11.08672 3.15672 -177.39122 1156.12517
155.0000 -191.83033 -181.06458 10.76575 3.03276 -179.69279 1075.54083
160.0000 -192.72397 -181.88517 10.83880 2.92947 -181.61043 1027.69184
165.0000 -192.06868 -179.89748 12.17120 2.98636 -180.55415 1052.90894
170.0000 -191.57373 -181.00297 10.57076 3.04469 -179.47128 1106.49010
175.0000 -190.03585 -179.13433 10.90151 3.00599 -180.18977 1061.17204
180.0000 -189.31214 -176.90298 12.40916 3.20054 -176.57759 1190.01433
185.0000 -189.71389 -178.45378 11.26012 3.12228 -178.03066 1139.73099
190.0000 -190.80152 -179.39290 11.40862 3.04368 -179.49000 1085.64583
195.0000 -191.07788 -179.81282 11.26506 2.99629 -180.36988 1085.42234
200.0000 -193.24286 -181.07245 12.17041 2.95734 -181.09302 1048.57694
205.0000 -190.66918 -180.14991 10.51928 2.98693 -180.54356 1065.84426
210.0000 -189.31930 -179.92535 9.39395 3.09002 -178.62961 1078.95302
215.0000 -191.98522 -180.43124 11.55397 3.02605 -179.81737 1074.05957
220.0000 -191.11772 -181.08598 10.03174 2.94360 -181.34811 1020.61206
225.0000 -191.10651 -180.47159 10.63492 2.98620 -180.55724 1061.79218
230.0000 -190.85173 -180.92365 9.92808 2.89893 -182.17750 1043.62615
235.0000 -191.51473 -176.95416 14.56058 3.07332 -178.93968 1107.89202
240.0000 -190.65600 -178.50765 12.14835 3.15836 -177.36069 1209.10277
245.0000 -191.95733 -181.42747 10.52987 2.99830 -180.33252 1055.61427
250.0000 -192.45257 -182.58861 9.86396 2.95096 -181.21143 1044.89653
FREEZING PROCESS: loop number 2 T-loop= 1062.0000000000000
main_MD> interactions number 2 at Temperature= 1062.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61379 -1.56155 0.60458
force_rgl> df(natom) -0.41582 -1.92169 -0.04890
255.0000 -194.53994 -184.77747 9.76247 2.84057 -183.26101 953.99249
260.0000 -192.78102 -182.71670 10.06432 2.83239 -183.41276 946.03447
265.0000 -191.82091 -181.34061 10.48030 2.89469 -182.25621 1006.34788
270.0000 -191.55163 -179.90269 11.64894 2.91777 -181.82766 1016.39672
275.0000 -191.76080 -180.30559 11.45521 3.03698 -179.61439 1094.05998
280.0000 -191.43702 -179.26185 12.17518 2.98646 -180.55239 1036.81107
285.0000 -191.74064 -179.43455 12.30609 2.99075 -180.47275 1094.10349
290.0000 -191.74014 -181.35215 10.38800 2.93010 -181.59870 1014.46077
295.0000 -190.08590 -179.29560 10.79029 3.01089 -180.09877 1076.78295
300.0000 -190.41267 -179.71551 10.69715 2.98816 -180.52084 1055.35671
305.0000 -190.47488 -179.69740 10.77747 3.02562 -179.82520 1089.37865
310.0000 -192.56886 -181.78360 10.78526 3.00990 -180.11717 1048.83084
315.0000 -190.24604 -179.41554 10.83050 3.04765 -179.41622 1085.00003
320.0000 -191.23062 -180.64964 10.58098 3.01634 -179.99755 1095.62752
325.0000 -191.60249 -181.27677 10.32573 2.94336 -181.35255 1008.25529
330.0000 -189.88067 -178.87992 11.00075 3.07852 -178.84318 1130.20345
335.0000 -190.08780 -178.98052 11.10728 3.05075 -179.35862 1080.30356
340.0000 -191.82734 -179.64357 12.18376 3.06165 -179.15634 1098.96521
345.0000 -191.36153 -179.95273 11.40880 3.03327 -179.68327 1104.78944
350.0000 -191.07818 -179.59732 11.48085 2.99898 -180.31990 1062.73676
355.0000 -190.09548 -179.72216 10.37332 3.05316 -179.31403 1089.72760
360.0000 -190.01286 -179.11045 10.90241 3.09474 -178.54196 1118.63271
365.0000 -191.20007 -178.83704 12.36303 3.10681 -178.31788 1117.04051
370.0000 -189.99089 -179.05985 10.93104 3.07770 -178.85840 1128.53716
375.0000 -190.23133 -179.01799 11.21334 3.03572 -179.63766 1089.34998
380.0000 -190.15860 -179.19015 10.96845 3.10441 -178.36240 1143.63920
385.0000 -192.18987 -180.71340 11.47646 3.09624 -178.51408 1158.30292
390.0000 -190.80249 -179.80576 10.99673 2.97120 -180.83567 1053.28172
395.0000 -190.74601 -179.04625 11.69976 3.05803 -179.22350 1127.84910
400.0000 -191.54267 -179.80156 11.74111 2.99651 -180.36582 1089.19854
405.0000 -192.39019 -180.79706 11.59312 3.03495 -179.65202 1092.44504
410.0000 -191.46864 -182.69734 8.77131 2.93001 -181.60045 1028.66207
415.0000 -191.41052 -179.36822 12.04230 3.01397 -180.04164 1073.42611
420.0000 -191.53540 -181.13607 10.39933 3.01519 -180.01899 1052.91398
425.0000 -188.50544 -177.53906 10.96639 3.07235 -178.95770 1106.57501
430.0000 -191.29227 -177.97334 13.31893 3.15533 -177.41704 1192.79579
435.0000 -190.58029 -179.51790 11.06239 3.07527 -178.90349 1104.96875
440.0000 -189.71788 -179.01323 10.70466 3.03469 -179.65687 1042.80761
445.0000 -191.74263 -180.82931 10.91333 3.07202 -178.96384 1119.06809
450.0000 -191.12908 -179.41992 11.70916 2.99200 -180.44950 1054.42845
455.0000 -189.84498 -179.20158 10.64339 3.07229 -178.95874 1073.22432
460.0000 -191.55027 -181.48666 10.06361 2.97310 -180.80045 1036.24577
465.0000 -192.64849 -182.77047 9.87803 2.93181 -181.56700 985.29339
470.0000 -189.47984 -179.79432 9.68553 2.93951 -181.42396 1038.22969
475.0000 -192.95858 -182.47498 10.48361 2.95089 -181.21277 1034.13952
480.0000 -189.65976 -179.02044 10.63932 2.98058 -180.66146 1059.01959
485.0000 -190.37310 -180.01155 10.36155 3.08770 -178.67270 1119.53463
490.0000 -191.52437 -179.11840 12.40597 3.00425 -180.22200 1090.83902
495.0000 -189.26601 -178.44648 10.81953 3.11833 -178.10391 1126.39275
500.0000 -188.80663 -178.52502 10.28161 3.10470 -178.35704 1138.72295
FREEZING PROCESS: loop number 3 T-loop= 1037.0000000000000
main_MD> interactions number 3 at Temperature= 1037.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72051 0.95845 0.43591
force_rgl> df(natom) -4.04440 4.32379 4.16784
505.0000 -193.30082 -181.52756 11.77326 3.01683 -179.98852 1089.47789
510.0000 -194.13164 -182.77877 11.35287 2.89200 -182.30603 986.13612
515.0000 -191.03017 -180.70266 10.32751 2.95357 -181.16298 1024.36768
520.0000 -191.50990 -180.42192 11.08798 2.98969 -180.49244 1066.67872
525.0000 -193.40125 -183.09484 10.30641 2.86085 -182.88451 971.71464
530.0000 -193.98389 -182.03097 11.95292 2.92184 -181.75216 1043.15483
535.0000 -193.94457 -183.11993 10.82464 2.86874 -182.73793 996.98106
540.0000 -192.81453 -180.02511 12.78942 2.94548 -181.31311 1035.66461
545.0000 -190.26794 -179.96832 10.29962 3.00824 -180.14796 1051.30304
550.0000 -189.43454 -180.48108 8.95346 3.01834 -179.96038 1067.82276
555.0000 -191.75264 -181.91612 9.83652 2.94091 -181.39800 1020.47681
560.0000 -191.24131 -181.64187 9.59944 2.92610 -181.67291 1019.32241
565.0000 -189.72628 -179.03289 10.69339 2.97529 -180.75977 1055.39283
570.0000 -189.65176 -179.22736 10.42441 3.02781 -179.78454 1059.94592
575.0000 -190.97052 -180.02747 10.94304 3.05984 -179.18989 1130.04206
580.0000 -190.18694 -179.37637 10.81057 3.03170 -179.71234 1112.27678
585.0000 -190.44864 -178.50439 11.94425 3.07661 -178.87850 1119.69891
590.0000 -191.11428 -179.74704 11.36724 3.04672 -179.43354 1114.46112
595.0000 -192.35418 -182.78761 9.56657 2.96088 -181.02720 1037.70317
600.0000 -191.14809 -180.16102 10.98707 2.91606 -181.85947 1001.64082
605.0000 -190.91720 -179.00263 11.91456 3.08517 -178.71959 1104.14101
610.0000 -191.40195 -180.02826 11.37370 3.02709 -179.79793 1050.95266
615.0000 -193.07730 -182.71050 10.36680 3.00157 -180.27180 1082.97470
620.0000 -190.90232 -181.23622 9.66610 2.86917 -182.73002 999.87930
625.0000 -190.86922 -181.40360 9.46562 2.94757 -181.27428 1034.35028
630.0000 -192.82917 -182.07453 10.75464 2.87605 -182.60227 1001.76093
635.0000 -193.35017 -183.57117 9.77900 2.89690 -182.21508 975.94098
640.0000 -193.10572 -183.26416 9.84156 2.84948 -183.09561 977.20997
645.0000 -191.53849 -182.39503 9.14346 2.92584 -181.67788 1011.36338
650.0000 -190.10991 -180.48888 9.62103 2.93767 -181.45824 1023.13866
655.0000 -191.89584 -180.84022 11.05562 2.99511 -180.39178 1062.73399
660.0000 -190.85139 -178.96776 11.88363 3.02050 -179.92034 1079.49458
665.0000 -191.59383 -181.29608 10.29775 2.97620 -180.74284 1021.60083
670.0000 -190.53785 -177.78391 12.75394 3.04122 -179.53571 1062.37567
675.0000 -189.95884 -178.99977 10.95908 3.10454 -178.36000 1123.17183
680.0000 -192.24366 -181.22114 11.02252 3.06269 -179.13709 1097.60061
685.0000 -192.45859 -180.97454 11.48404 2.94398 -181.34101 1012.25498
690.0000 -189.11279 -177.70491 11.40788 3.07875 -178.83890 1148.98369
695.0000 -189.40110 -179.83880 9.56230 3.11300 -178.20293 1104.42877
700.0000 -191.65434 -182.92847 8.72587 2.94259 -181.36690 1018.91929
705.0000 -192.66208 -183.33741 9.32467 2.89039 -182.33608 1022.01078
710.0000 -193.12684 -184.11598 9.01086 2.78031 -184.37972 916.65286
715.0000 -192.87816 -180.95744 11.92072 2.88740 -182.39146 987.26506
720.0000 -191.41114 -181.20143 10.20971 2.93593 -181.49056 1027.82199
725.0000 -192.71161 -182.22614 10.48547 2.97927 -180.68578 1055.46949
730.0000 -193.20177 -179.99336 13.20842 3.01649 -179.99485 1077.61416
735.0000 -192.35137 -180.38671 11.96465 3.06420 -179.10893 1106.80170
740.0000 -191.18761 -182.04248 9.14513 2.95120 -181.20703 1006.77449
745.0000 -192.24954 -182.50419 9.74536 2.89397 -182.26959 958.92435
750.0000 -190.39534 -179.37161 11.02372 2.90482 -182.06812 1004.48308
FREEZING PROCESS: loop number 4 T-loop= 1012.0000000000000
main_MD> interactions number 4 at Temperature= 1012.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.88730 -0.53503 -4.87519
force_rgl> df(natom) -0.82664 1.25748 -2.50758
755.0000 -192.77516 -181.79022 10.98494 2.96837 -180.88825 1038.15319
760.0000 -191.93635 -178.01167 13.92468 2.98767 -180.52983 1081.78385
765.0000 -190.61537 -180.24018 10.37520 3.08125 -178.79242 1108.27771
770.0000 -191.25730 -179.70423 11.55307 3.07949 -178.82501 1119.97860
775.0000 -191.40056 -180.86554 10.53503 3.01361 -180.04831 1095.78791
780.0000 -192.40377 -181.91541 10.48836 2.99933 -180.31328 1063.55967
785.0000 -194.35619 -182.81264 11.54355 2.88804 -182.37971 974.86659
790.0000 -193.11885 -182.70397 10.41488 2.91309 -181.91458 1023.19908
795.0000 -189.37255 -180.10130 9.27124 2.93816 -181.44914 1005.38853
800.0000 -190.85060 -179.17582 11.67479 3.01796 -179.96750 1030.56748
805.0000 -191.27604 -179.05428 12.22175 3.04695 -179.42929 1086.52993
810.0000 -190.75900 -179.77742 10.98158 3.04091 -179.54130 1085.88312
815.0000 -194.00010 -185.10568 8.89442 2.85649 -182.96545 979.01218
820.0000 -194.31919 -184.07021 10.24898 2.79120 -184.17753 935.21196
825.0000 -192.17736 -181.95408 10.22328 2.79793 -184.05264 939.66514
830.0000 -192.99271 -183.07198 9.92073 2.81853 -183.67012 970.02881
835.0000 -192.13994 -181.98008 10.15986 2.90812 -182.00682 1031.45604
840.0000 -192.09871 -181.61863 10.48008 2.89990 -182.15950 971.40655
845.0000 -191.32412 -179.73184 11.59228 2.99467 -180.39993 1052.87605
850.0000 -190.09495 -180.99962 9.09532 3.05235 -179.32898 1102.31682
855.0000 -191.12753 -179.89292 11.23460 3.01695 -179.98628 1074.74723
860.0000 -190.66010 -178.06098 12.59912 3.05233 -179.32933 1136.83470
865.0000 -192.32357 -181.84069 10.48288 2.97338 -180.79525 1051.50329
870.0000 -192.96806 -182.67856 10.28950 2.90283 -182.10496 992.86110
875.0000 -192.38643 -184.12896 8.25748 2.86387 -182.82830 956.67366
880.0000 -192.83390 -183.28904 9.54486 2.77367 -184.50297 883.64503
885.0000 -191.61780 -181.69042 9.92738 2.85161 -183.05600 978.90895
890.0000 -193.17069 -182.37326 10.79742 2.89378 -182.27308 1003.48563
895.0000 -193.25772 -181.44108 11.81664 2.89083 -182.32782 992.35061
900.0000 -192.10455 -180.66296 11.44159 2.93434 -181.51991 1061.05305
905.0000 -191.78747 -180.54015 11.24733 2.98666 -180.54860 1038.76892
910.0000 -191.14472 -180.82600 10.31872 2.92646 -181.66623 1033.20488
915.0000 -190.91560 -180.64400 10.27160 3.01305 -180.05858 1084.74566
920.0000 -193.12598 -184.31393 8.81205 2.87805 -182.56501 995.47864
925.0000 -193.46072 -183.06910 10.39162 2.79708 -184.06838 926.03338
930.0000 -190.59142 -181.35891 9.23251 2.89416 -182.26591 978.38937
935.0000 -195.31014 -184.07296 11.23718 2.86109 -182.88004 970.70094
940.0000 -193.70617 -184.00881 9.69736 2.81859 -183.66903 944.97845
945.0000 -193.61986 -184.59880 9.02106 2.72972 -185.31911 883.55458
950.0000 -193.51759 -183.73497 9.78263 2.75792 -184.79546 908.46111
955.0000 -191.72058 -182.09277 9.62781 2.82060 -183.63178 958.36084
960.0000 -192.21415 -180.89515 11.31900 2.92664 -181.66297 1003.75798
965.0000 -190.12214 -179.90221 10.21993 2.98293 -180.61781 1052.64229
970.0000 -190.16264 -177.88274 12.27991 3.06077 -179.17267 1155.97321
975.0000 -191.30141 -182.48446 8.81695 3.01711 -179.98329 1081.72445
980.0000 -193.27916 -183.90583 9.37333 2.85815 -182.93460 962.28244
985.0000 -194.89166 -184.85388 10.03778 2.78692 -184.25714 936.13898
990.0000 -193.99102 -184.32839 9.66263 2.77093 -184.55394 935.62872
995.0000 -193.78434 -184.03068 9.75365 2.79930 -184.02724 934.60477
1000.0000 -193.52457 -184.83702 8.68755 2.79066 -184.18755 952.90769
FREEZING PROCESS: loop number 5 T-loop= 987.00000000000000
main_MD> interactions number 5 at Temperature= 987.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83285 1.51322 -3.73587
force_rgl> df(natom) -0.70069 2.91502 1.16215
1005.0000 -194.79221 -185.45891 9.33330 2.67555 -186.32475 863.31415
1010.0000 -193.82089 -183.64515 10.17574 2.77427 -184.49191 939.52135
1015.0000 -194.85585 -185.21452 9.64133 2.79133 -184.17514 941.73257
1020.0000 -193.36811 -185.33419 8.03392 2.71721 -185.55140 880.31346
1025.0000 -190.20065 -180.59921 9.60144 2.88282 -182.47649 993.77320
1030.0000 -191.69693 -180.32839 11.36854 2.98568 -180.56674 1069.38760
1035.0000 -193.35815 -182.45805 10.90011 2.92852 -181.62802 1032.34909
1040.0000 -191.58051 -181.56969 10.01082 2.90378 -182.08734 1002.55044
1045.0000 -192.15511 -180.92329 11.23182 2.89761 -182.20194 1004.51657
1050.0000 -191.69614 -182.83070 8.86544 2.88361 -182.46180 965.45650
1055.0000 -192.97890 -181.47734 11.50156 2.95031 -181.22349 1050.46133
1060.0000 -189.74392 -178.82449 10.91943 2.97977 -180.67656 1050.26189
1065.0000 -192.86847 -182.81895 10.04953 2.94887 -181.25020 1028.06020
1070.0000 -193.39483 -183.33416 10.06067 2.85058 -183.07508 983.04411
1075.0000 -192.36041 -181.92107 10.43933 2.88233 -182.48564 974.73719
1080.0000 -192.17013 -182.09925 10.07088 2.93896 -181.43418 1050.43030
1085.0000 -194.35849 -184.93321 9.42528 2.81663 -183.70553 936.36917
1090.0000 -192.86353 -181.70159 11.16193 2.83149 -183.42963 963.50720
1095.0000 -191.08355 -181.09586 9.98770 2.90922 -181.98640 1012.57200
1100.0000 -193.01626 -181.79513 11.22113 2.95351 -181.16411 1011.13165
1105.0000 -195.03429 -184.82501 10.20927 2.87396 -182.64110 996.90205
1110.0000 -190.53409 -181.93520 8.59889 2.82165 -183.61216 968.96238
1115.0000 -192.09116 -180.46425 11.62691 2.91793 -181.82471 1025.26474
1120.0000 -192.20268 -181.49172 10.71096 2.94583 -181.30661 1026.34110
1125.0000 -190.78612 -181.91167 8.87445 2.89473 -182.25533 954.70763
1130.0000 -190.25640 -179.73110 10.52530 2.99822 -180.33396 1046.62395
1135.0000 -190.73241 -178.83351 11.89890 3.06682 -179.06032 1089.25605
1140.0000 -191.45017 -180.10587 11.34430 3.05523 -179.27557 1087.88039
1145.0000 -191.37804 -180.17529 11.20275 2.98768 -180.52973 1064.90499
1150.0000 -192.78016 -181.57768 11.20247 2.99163 -180.45627 1063.27182
1155.0000 -192.93450 -183.06983 9.86466 2.87621 -182.59926 958.59507
1160.0000 -193.44157 -184.71007 8.73150 2.82225 -183.60114 941.43446
1165.0000 -192.89637 -182.18287 10.71350 2.82895 -183.47668 940.39376
1170.0000 -192.80414 -182.84436 9.95978 2.90093 -182.14028 1016.43866
1175.0000 -193.70964 -184.27708 9.43256 2.86135 -182.87525 971.65843
1180.0000 -192.76489 -184.87947 7.88542 2.77397 -184.49750 898.12135
1185.0000 -193.86387 -183.65568 10.20819 2.84522 -183.17458 982.72400
1190.0000 -193.81876 -184.54411 9.27465 2.74590 -185.01867 908.26629
1195.0000 -193.70027 -183.55532 10.14495 2.85949 -182.90962 988.90409
1200.0000 -192.65651 -183.41828 9.23823 2.84152 -183.24325 990.73184
1205.0000 -194.88457 -183.37024 11.51433 2.83350 -183.39225 971.18392
1210.0000 -193.10802 -184.92980 8.17822 2.79920 -184.02915 940.84582
1215.0000 -193.14313 -182.72805 10.41508 2.84951 -183.09489 967.82582
1220.0000 -195.28532 -185.72579 9.55953 2.78630 -184.26856 940.19425
1225.0000 -192.80890 -182.44898 10.35992 2.80869 -183.85281 943.89501
1230.0000 -192.12006 -182.17253 9.94753 2.88071 -182.51569 984.90601
1235.0000 -194.59758 -184.89694 9.70065 2.90684 -182.03049 999.71496
1240.0000 -191.12888 -182.35833 8.77055 2.80469 -183.92716 934.83056
1245.0000 -193.80148 -182.52091 11.28057 2.95050 -181.21988 1032.49749
1250.0000 -193.41623 -185.34006 8.07617 2.83859 -183.29773 980.68110
FREEZING PROCESS: loop number 6 T-loop= 962.00000000000000
main_MD> interactions number 6 at Temperature= 962.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28749 3.38180 2.76615
force_rgl> df(natom) -0.66970 -3.37212 -1.72195
1255.0000 -195.27545 -187.24242 8.03303 2.65140 -186.77317 817.54951
1260.0000 -195.70038 -187.01726 8.68312 2.66225 -186.57169 852.93523
1265.0000 -194.19868 -185.21250 8.98618 2.69564 -185.95176 877.54476
1270.0000 -193.81704 -184.40685 9.41019 2.75817 -184.79084 918.69963
1275.0000 -191.72573 -181.11269 10.61305 2.84369 -183.20296 964.24360
1280.0000 -191.68868 -181.32897 10.35971 2.94740 -181.27749 1023.89307
1285.0000 -193.75872 -183.01818 10.74055 2.87951 -182.53803 964.31377
1290.0000 -195.70291 -184.71047 10.99245 2.83111 -183.43667 979.17236
1295.0000 -194.94424 -183.19962 11.74462 2.79506 -184.10585 959.93021
1300.0000 -193.88023 -185.26853 8.61170 2.80027 -184.00912 919.78869
1305.0000 -192.70744 -183.00743 9.70001 2.84670 -183.14720 952.30178
1310.0000 -192.97679 -183.32418 9.65260 2.78111 -184.36494 928.60033
1315.0000 -194.91810 -185.77832 9.13978 2.79606 -184.08743 970.23287
1320.0000 -194.36929 -185.52022 8.84908 2.70277 -185.81934 875.11794
1325.0000 -194.60609 -186.06951 8.53658 2.70840 -185.71495 859.94085
1330.0000 -193.57310 -182.74163 10.83147 2.81002 -183.82822 949.32424
1335.0000 -193.16220 -184.34917 8.81303 2.92144 -181.75947 1015.27844
1340.0000 -192.58083 -183.27296 9.30787 2.78529 -184.28731 950.57527
1345.0000 -195.81828 -184.63190 11.18639 2.84390 -183.19922 960.33958
1350.0000 -194.06200 -184.39198 9.67002 2.75085 -184.92670 914.03828
1355.0000 -194.23366 -183.50137 10.73229 2.80876 -183.85155 955.36248
1360.0000 -192.50100 -182.23956 10.26145 2.81002 -183.82826 945.70593
1365.0000 -191.61112 -181.47137 10.13975 2.90476 -182.06912 1008.77028
1370.0000 -194.12167 -184.32318 9.79849 2.85791 -182.93908 980.16078
1375.0000 -192.13435 -182.58705 9.54730 2.82341 -183.57965 968.85161
1380.0000 -194.56429 -183.98949 10.57480 2.81916 -183.65852 947.51341
1385.0000 -193.34416 -184.03053 9.31363 2.82505 -183.54920 937.57117
1390.0000 -192.72252 -183.69688 9.02565 2.81502 -183.73538 936.56319
1395.0000 -190.85752 -180.82677 10.03075 2.88953 -182.35203 996.86220
1400.0000 -193.18593 -182.14171 11.04422 2.95741 -181.09163 1066.62998
1405.0000 -192.52234 -181.27011 11.25223 2.91362 -181.90467 1031.13136
1410.0000 -193.43622 -182.64298 10.79324 2.91982 -181.78958 1026.47062
1415.0000 -192.33427 -182.41005 9.92422 2.88742 -182.39120 1039.50797
1420.0000 -191.61531 -181.69057 9.92474 2.89914 -182.17348 989.82897
1425.0000 -192.42239 -181.93724 10.48516 2.91857 -181.81287 1000.22801
1430.0000 -194.49532 -184.21337 10.28194 2.81172 -183.79655 962.97120
1435.0000 -192.74112 -183.32209 9.41903 2.78320 -184.32604 935.12667
1440.0000 -192.21617 -183.13599 9.08017 2.86298 -182.84481 983.31860
1445.0000 -192.65381 -182.62714 10.02668 2.81313 -183.77050 936.73570
1450.0000 -191.31039 -182.11648 9.19392 2.91552 -181.86947 1025.78658
1455.0000 -194.16237 -185.50286 8.65952 2.83324 -183.39706 943.01699
1460.0000 -194.87896 -186.00995 8.86902 2.76832 -184.60242 933.72113
1465.0000 -194.56822 -183.61090 10.95732 2.72696 -185.37038 914.25051
1470.0000 -193.76725 -183.23265 10.53461 2.85509 -182.99142 974.79052
1475.0000 -192.93425 -181.48387 11.45038 2.91957 -181.79423 1035.22044
1480.0000 -192.19304 -183.38228 8.81076 2.91129 -181.94791 990.98406
1485.0000 -194.26699 -183.58740 10.67960 2.85413 -183.00919 962.13347
1490.0000 -194.42019 -183.48875 10.93145 2.80166 -183.98340 924.13674
1495.0000 -194.10971 -184.01818 10.09153 2.79946 -184.02417 934.91391
1500.0000 -193.69255 -182.93863 10.75392 2.88882 -182.36509 974.70275
FREEZING PROCESS: loop number 7 T-loop= 937.00000000000000
main_MD> interactions number 7 at Temperature= 937.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.54746 -2.05762 0.23019
force_rgl> df(natom) -0.25873 0.09879 3.21613
1505.0000 -192.79473 -183.42640 9.36833 2.81216 -183.78835 938.94965
1510.0000 -194.79656 -185.18815 9.60841 2.80660 -183.89165 958.29636
1515.0000 -191.70307 -182.00553 9.69755 2.85529 -182.98776 982.96170
1520.0000 -194.36763 -185.35930 9.00833 2.77007 -184.56993 900.52439
1525.0000 -195.17724 -186.36805 8.80919 2.71535 -185.58583 894.31883
1530.0000 -192.48110 -183.65611 8.82499 2.74758 -184.98743 918.57719
1535.0000 -192.92135 -183.01795 9.90340 2.83305 -183.40061 966.56707
1540.0000 -194.82958 -184.55827 10.27131 2.81798 -183.68031 946.98748
1545.0000 -194.72477 -185.73646 8.98831 2.71464 -185.59907 890.89963
1550.0000 -193.93593 -183.65044 10.28549 2.77027 -184.56623 936.52484
1555.0000 -195.01261 -184.20478 10.80783 2.88451 -182.44515 981.81955
1560.0000 -193.75069 -183.72129 10.02940 2.77822 -184.41865 930.12270
1565.0000 -194.09431 -186.39643 7.69788 2.76188 -184.72190 916.02773
1570.0000 -193.72762 -183.98427 9.74335 2.72985 -185.31656 871.26214
1575.0000 -192.59329 -183.95887 8.63442 2.88195 -182.49272 993.81433
1580.0000 -193.58934 -184.24462 9.34472 2.81927 -183.65648 935.89090
1585.0000 -192.79910 -184.34039 8.45870 2.78837 -184.23006 908.43859
1590.0000 -192.43874 -182.65751 9.78123 2.82105 -183.62340 935.62055
1595.0000 -194.28143 -184.89958 9.38186 2.78120 -184.36323 923.23068
1600.0000 -193.92350 -184.23140 9.69210 2.84249 -183.22524 970.35051
1605.0000 -193.17538 -184.91443 8.26095 2.80373 -183.94486 927.11916
1610.0000 -194.50372 -184.25510 10.24862 2.73746 -185.17542 899.09308
1615.0000 -193.57480 -184.52464 9.05015 2.75126 -184.91917 922.46375
1620.0000 -192.71907 -183.07488 9.64419 2.80161 -183.98427 926.09962
1625.0000 -192.92203 -181.85386 11.06817 2.97295 -180.80320 1052.20441
1630.0000 -192.98675 -184.67723 8.30952 2.83536 -183.35776 949.19702
1635.0000 -194.49043 -184.55197 9.93846 2.78976 -184.20428 933.70924
1640.0000 -192.67288 -183.52543 9.14745 2.78147 -184.35829 954.12399
1645.0000 -194.72768 -184.15155 10.57612 2.75835 -184.78746 915.05467
1650.0000 -193.39828 -182.44996 10.94832 2.78207 -184.34705 943.52089
1655.0000 -195.03711 -183.71854 11.31857 2.82721 -183.50893 991.99300
1660.0000 -193.64347 -185.01910 8.62437 2.82602 -183.53104 969.52166
1665.0000 -192.26287 -182.47054 9.79233 2.83181 -183.42369 933.17561
1670.0000 -194.74224 -184.14969 10.59255 2.78004 -184.38475 947.04539
1675.0000 -192.55726 -183.36358 9.19368 2.82786 -183.49698 968.84362
1680.0000 -194.32449 -184.54030 9.78420 2.77849 -184.41352 938.51178
1685.0000 -193.38715 -182.58274 10.80440 2.81281 -183.77644 970.61253
1690.0000 -195.01525 -185.73818 9.27707 2.82074 -183.62909 977.43672
1695.0000 -194.32637 -185.10532 9.22105 2.75984 -184.75987 926.70623
1700.0000 -194.97025 -186.38732 8.58293 2.68221 -186.20113 865.34912
1705.0000 -194.44044 -185.95052 8.48992 2.69874 -185.89419 885.31736
1710.0000 -195.26052 -186.84300 8.41752 2.66160 -186.58372 864.83740
1715.0000 -192.69955 -183.58817 9.11138 2.73415 -185.23671 902.76422
1720.0000 -194.47364 -184.55098 9.92266 2.77990 -184.38747 920.72941
1725.0000 -194.72174 -184.93018 9.79157 2.80659 -183.89185 927.69339
1730.0000 -193.33533 -185.14505 8.19028 2.76438 -184.67546 902.27370
1735.0000 -195.87629 -186.45687 9.41942 2.64942 -186.80997 851.69038
1740.0000 -194.70006 -185.73929 8.96077 2.67247 -186.38189 858.03709
1745.0000 -193.73583 -184.83065 8.90518 2.72717 -185.36634 892.01988
1750.0000 -195.23350 -185.64375 9.58975 2.72886 -185.33492 897.67033
FREEZING PROCESS: loop number 8 T-loop= 912.00000000000000
main_MD> interactions number 8 at Temperature= 912.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.72455 0.89406 -2.36050
force_rgl> df(natom) 0.80830 3.65841 3.09940
1755.0000 -195.28127 -185.06234 10.21893 2.70701 -185.74065 914.53524
1760.0000 -193.25400 -183.13347 10.12053 2.77720 -184.43752 955.09848
1765.0000 -193.92861 -184.44576 9.48285 2.87953 -182.53765 975.23295
1770.0000 -192.63803 -184.14345 8.49458 2.79129 -184.17598 903.31314
1775.0000 -193.86748 -182.56358 11.30390 2.80154 -183.98558 926.24633
1780.0000 -195.60628 -185.39964 10.20665 2.78943 -184.21043 948.06379
1785.0000 -193.35581 -182.41387 10.94194 2.79713 -184.06758 938.82956
1790.0000 -192.77855 -182.50313 10.27543 2.89309 -182.28584 1000.48017
1795.0000 -192.98785 -182.23405 10.75380 2.84572 -183.16539 967.70081
1800.0000 -194.70315 -183.78335 10.91980 2.80606 -183.90170 933.70972
1805.0000 -194.07588 -183.25619 10.81970 2.86019 -182.89668 948.95065
1810.0000 -193.50286 -183.62901 9.87385 2.85768 -182.94331 976.19503
1815.0000 -194.81777 -185.18310 9.63467 2.79726 -184.06510 954.81107
1820.0000 -193.38169 -184.16604 9.21565 2.74878 -184.96524 886.76261
1825.0000 -191.31893 -181.54993 9.76900 2.82688 -183.51521 993.28955
1830.0000 -193.65850 -182.92284 10.73566 2.85445 -183.00318 964.58775
1835.0000 -194.04383 -184.55454 9.48929 2.83845 -183.30037 960.34249
1840.0000 -194.13438 -184.79618 9.33820 2.74074 -185.11453 895.33839
1845.0000 -195.33599 -184.04348 11.29252 2.75862 -184.78241 927.94524
1850.0000 -193.90604 -183.89057 10.01546 2.85554 -182.98306 985.00602
1855.0000 -194.20629 -185.24339 8.96290 2.78649 -184.26499 923.97212
1860.0000 -193.42863 -184.20831 9.22032 2.78434 -184.30491 916.18270
1865.0000 -194.56606 -185.92722 8.63884 2.76201 -184.71950 915.65224
1870.0000 -194.31570 -186.08178 8.23391 2.65716 -186.66626 818.16345
1875.0000 -193.42478 -183.68220 9.74258 2.74682 -185.00162 884.50473
1880.0000 -193.76773 -183.16924 10.59849 2.79747 -184.06120 927.23226
1885.0000 -194.11926 -185.54987 8.56939 2.71283 -185.63255 894.65838
1890.0000 -196.35890 -186.27047 10.08843 2.68022 -186.23800 865.43996
1895.0000 -193.00466 -185.17503 7.82963 2.73973 -185.13323 915.26149
1900.0000 -194.47567 -184.57825 9.89742 2.73204 -185.27603 885.10776
1905.0000 -193.99747 -182.31800 11.67947 2.81510 -183.73378 971.37136
1910.0000 -195.13224 -185.56432 9.56792 2.82907 -183.47452 981.52402
1915.0000 -192.83380 -182.83147 10.00233 2.79767 -184.05753 963.96056
1920.0000 -192.91659 -182.10974 10.80685 2.84748 -183.13275 982.04711
1925.0000 -194.49382 -183.94435 10.54947 2.84892 -183.10595 986.80568
1930.0000 -193.79211 -184.86370 8.92842 2.71503 -185.59175 895.15003
1935.0000 -195.44224 -185.84442 9.59782 2.71951 -185.50862 874.06552
1940.0000 -194.02252 -184.67987 9.34265 2.70704 -185.74008 853.15309
1945.0000 -194.40097 -184.52253 9.87844 2.80577 -183.90703 927.48936
1950.0000 -195.18662 -184.97373 10.21289 2.74026 -185.12336 913.44194
1955.0000 -194.73807 -186.05028 8.68779 2.80144 -183.98746 948.95591
1960.0000 -194.59812 -185.32524 9.27288 2.71425 -185.60626 908.92199
1965.0000 -194.92539 -187.03429 7.89110 2.65286 -186.74601 846.36209
1970.0000 -195.60766 -186.38799 9.21967 2.68561 -186.13808 867.02836
1975.0000 -194.97860 -184.99211 9.98649 2.69268 -186.00670 902.47041
1980.0000 -194.74947 -183.37090 11.37857 2.81526 -183.73082 961.83921
1985.0000 -194.28201 -185.66068 8.62133 2.80516 -183.91844 944.91981
1990.0000 -195.00216 -186.04684 8.95533 2.65770 -186.65615 858.91869
1995.0000 -194.88349 -184.86586 10.01763 2.73073 -185.30030 895.40461
2000.0000 -194.16076 -186.06118 8.09958 2.72754 -185.35946 867.12259
FREEZING PROCESS: loop number 9 T-loop= 887.00000000000000
main_MD> interactions number 9 at Temperature= 887.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10020 3.75197 0.35738
force_rgl> df(natom) -2.07832 -0.08431 3.98287
2005.0000 -194.83287 -185.13391 9.69895 2.74860 -184.96843 894.62093
2010.0000 -195.57746 -186.14094 9.43652 2.74826 -184.97474 917.43054
2015.0000 -195.00815 -186.48351 8.52463 2.65444 -186.71677 834.74001
2020.0000 -195.48055 -185.70919 9.77136 2.67932 -186.25482 854.34417
2025.0000 -193.63415 -183.41558 10.21857 2.78801 -184.23688 941.02645
2030.0000 -194.49902 -184.48714 10.01188 2.79157 -184.17070 947.70857
2035.0000 -194.14410 -183.63216 10.51194 2.79833 -184.04527 952.26732
2040.0000 -194.68559 -185.63448 9.05111 2.74262 -185.07957 902.39955
2045.0000 -194.52451 -186.07422 8.45029 2.70449 -185.78751 866.64210
2050.0000 -195.82386 -187.02615 8.79771 2.68455 -186.15768 892.83006
2055.0000 -194.27862 -185.37324 8.90538 2.70851 -185.71278 892.54846
2060.0000 -192.69778 -184.07687 8.62091 2.78310 -184.32801 920.82630
2065.0000 -193.54231 -183.80061 9.74170 2.84287 -183.21820 971.70225
2070.0000 -195.11155 -185.67735 9.43420 2.70094 -185.85340 848.27785
2075.0000 -196.65178 -187.02669 9.62509 2.68051 -186.23262 835.67494
2080.0000 -194.92389 -186.80411 8.11977 2.66197 -186.57698 858.88944
2085.0000 -195.92494 -186.04827 9.87667 2.63527 -187.07255 831.35155
2090.0000 -193.98949 -185.01975 8.96974 2.71593 -185.57513 880.83385
2095.0000 -195.35910 -185.95213 9.40697 2.71022 -185.68109 895.22513
2100.0000 -194.51055 -184.42248 10.08807 2.73261 -185.26538 891.55388
2105.0000 -196.71571 -186.19776 10.51794 2.74668 -185.00414 910.19098
2110.0000 -194.71272 -187.04256 7.67016 2.68285 -186.18922 865.51690
2115.0000 -195.75038 -185.45971 10.29068 2.71037 -185.67833 879.82408
2120.0000 -195.90386 -186.68259 9.22127 2.71055 -185.67496 907.95817
2125.0000 -194.91184 -185.15164 9.76019 2.71694 -185.55637 909.53764
2130.0000 -193.66327 -185.11808 8.54519 2.70834 -185.71593 858.27409
2135.0000 -193.90708 -184.59396 9.31312 2.76332 -184.69525 902.43985
2140.0000 -193.62912 -184.94681 8.68231 2.74303 -185.07198 908.20492
2145.0000 -193.38563 -184.50369 8.88193 2.77161 -184.54127 884.95766
2150.0000 -194.23304 -183.95594 10.27710 2.81367 -183.76036 952.40256
2155.0000 -192.56994 -183.15996 9.40998 2.80645 -183.89442 957.48488
2160.0000 -194.31937 -184.62830 9.69107 2.81389 -183.75629 961.07652
2165.0000 -195.37798 -186.66283 8.71515 2.70139 -185.84505 853.98088
2170.0000 -194.83085 -186.02014 8.81071 2.69779 -185.91194 876.78136
2175.0000 -194.81819 -186.13034 8.68786 2.67726 -186.29295 888.49512
2180.0000 -193.00330 -184.51085 8.49246 2.71385 -185.61372 908.78229
2185.0000 -194.39315 -183.87476 10.51839 2.83415 -183.38014 973.11423
2190.0000 -194.49403 -186.26104 8.23300 2.76437 -184.67578 911.86555
2195.0000 -194.88678 -186.18672 8.70006 2.62358 -187.28971 841.83769
2200.0000 -195.50985 -185.88659 9.62326 2.67946 -186.25215 880.67697
2205.0000 -195.81362 -186.25118 9.56243 2.67280 -186.37593 849.43120
2210.0000 -194.36316 -184.44848 9.91468 2.77818 -184.41934 916.39422
2215.0000 -194.06891 -184.06925 9.99966 2.79620 -184.08484 922.93505
2220.0000 -195.59693 -186.30733 9.28960 2.76691 -184.62853 922.62189
2225.0000 -195.41178 -185.68981 9.72198 2.68620 -186.12712 863.81183
2230.0000 -192.94129 -183.39380 9.54749 2.73970 -185.13370 878.97704
2235.0000 -192.24915 -182.21040 10.03875 2.84478 -183.18279 962.37172
2240.0000 -192.82901 -183.53324 9.29577 2.86884 -182.73616 972.16758
2245.0000 -192.92846 -180.94877 11.97970 2.92375 -181.71669 1008.02303
2250.0000 -194.96213 -183.49693 11.46519 2.86444 -182.81786 960.08416
FREEZING PROCESS: loop number 10 T-loop= 862.00000000000000
main_MD> interactions number 10 at Temperature= 862.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.42652 -1.33982 -1.72685
force_rgl> df(natom) 2.89648 -0.25596 -1.84801
2255.0000 -193.74630 -183.53635 10.20995 2.83317 -183.39831 950.78259
2260.0000 -193.57474 -184.13437 9.44037 2.83193 -183.42141 933.63768
2265.0000 -196.32038 -186.55248 9.76790 2.78379 -184.31520 926.24916
2270.0000 -194.26498 -183.61752 10.64746 2.73808 -185.16387 906.17086
2275.0000 -196.04955 -186.50651 9.54304 2.72324 -185.43931 899.08457
2280.0000 -193.94979 -187.01054 6.93925 2.64570 -186.87906 846.33261
2285.0000 -194.66079 -186.30556 8.35523 2.65728 -186.66408 860.65765
2290.0000 -195.86297 -186.78410 9.07887 2.65999 -186.61360 857.18631
2295.0000 -195.68686 -186.95884 8.72802 2.63869 -187.00909 831.85261
2300.0000 -195.01741 -186.00403 9.01337 2.70312 -185.81284 868.12275
2305.0000 -194.38881 -185.10682 9.28199 2.75177 -184.90970 883.54763
2310.0000 -195.12006 -185.47058 9.64948 2.76061 -184.74554 910.48236
2315.0000 -194.04874 -185.65066 8.39808 2.69072 -186.04318 864.79596
2320.0000 -193.75035 -184.87240 8.87795 2.75900 -184.77546 910.23038
2325.0000 -196.12803 -186.75555 9.37248 2.68211 -186.20293 851.67334
2330.0000 -194.53237 -186.42427 8.10810 2.62484 -187.26638 855.99546
2335.0000 -194.98122 -186.14684 8.83438 2.68569 -186.13654 879.29119
2340.0000 -195.50119 -186.70266 8.79853 2.63251 -187.12389 828.05184
2345.0000 -195.09997 -186.45528 8.64469 2.66643 -186.49417 830.10143
2350.0000 -195.36030 -187.02923 8.33106 2.66003 -186.61292 854.74576
2355.0000 -197.68548 -188.55735 9.12813 2.57680 -188.15827 794.12682
2360.0000 -197.40071 -189.18739 8.21332 2.51582 -189.29032 775.64107
2365.0000 -196.03137 -188.52784 7.50353 2.56234 -188.42675 777.42146
2370.0000 -193.74735 -185.30092 8.44643 2.63152 -187.14227 800.20034
2375.0000 -195.75451 -183.73581 12.01870 2.74317 -185.06938 896.93259
2380.0000 -194.73457 -184.52944 10.20513 2.79969 -184.01990 930.14554
2385.0000 -194.39605 -185.12157 9.27447 2.69089 -186.04001 902.42271
2390.0000 -195.23608 -186.57844 8.65764 2.66388 -186.54150 867.77330
2395.0000 -196.64873 -187.14608 9.50265 2.67405 -186.35255 887.64101
2400.0000 -197.18163 -188.56860 8.61303 2.58239 -188.05441 846.00091
2405.0000 -196.68310 -188.46389 8.21921 2.53481 -188.93777 763.50463
2410.0000 -196.31661 -187.17594 9.14067 2.59076 -187.89898 825.56274
2415.0000 -194.40351 -183.93271 10.47080 2.73341 -185.25060 893.14937
2420.0000 -193.98272 -185.26121 8.72151 2.75973 -184.76185 933.48250
2425.0000 -192.68379 -183.88549 8.79831 2.80270 -183.96399 941.88748
2430.0000 -195.10755 -186.76577 8.34178 2.71279 -185.63346 872.80189
2435.0000 -195.64967 -186.94176 8.70791 2.61199 -187.50488 801.44519
2440.0000 -196.36626 -186.52315 9.84311 2.63569 -187.06493 830.89575
2445.0000 -194.50675 -186.25485 8.25190 2.70832 -185.71645 889.18975
2450.0000 -195.03951 -187.48293 7.55659 2.63584 -187.06208 832.79857
2455.0000 -195.78957 -187.18139 8.60817 2.60767 -187.58512 830.79200
2460.0000 -195.87400 -186.53207 9.34193 2.70018 -185.86749 877.23566
2465.0000 -194.63857 -184.97412 9.66445 2.70370 -185.80207 896.08132
2470.0000 -197.12891 -189.50122 7.62770 2.66921 -186.44254 867.93207
2475.0000 -196.99082 -189.42761 7.56321 2.47413 -190.06433 722.32659
2480.0000 -196.94575 -189.34956 7.59618 2.55838 -188.50026 760.05068
2485.0000 -196.02100 -186.84284 9.17816 2.66376 -186.54362 848.51624
2490.0000 -195.38195 -184.33522 11.04673 2.67126 -186.40440 839.86269
2495.0000 -195.42400 -186.48673 8.93728 2.73331 -185.25244 876.16571
2500.0000 -194.91452 -186.21804 8.69648 2.66239 -186.56906 837.36372
FREEZING PROCESS: loop number 11 T-loop= 837.00000000000000
main_MD> interactions number 11 at Temperature= 837.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22345 -2.50560 -1.26926
force_rgl> df(natom) -1.00153 0.48094 0.38157
2505.0000 -194.93047 -186.23850 8.69198 2.66571 -186.50754 828.48413
2510.0000 -196.45686 -188.57488 7.88198 2.58513 -188.00354 815.46262
2515.0000 -196.68906 -189.69451 6.99455 2.48683 -189.82868 757.21281
2520.0000 -195.86034 -186.78615 9.07419 2.52960 -189.03463 768.31248
2525.0000 -195.11086 -186.66211 8.44875 2.66917 -186.44331 846.10390
2530.0000 -195.41216 -186.68618 8.72598 2.65944 -186.62385 849.82559
2535.0000 -197.81966 -189.10810 8.71156 2.61600 -187.43045 814.91361
2540.0000 -197.38889 -188.14460 9.24429 2.50707 -189.45276 774.17368
2545.0000 -196.41624 -188.17038 8.24586 2.57049 -188.27537 795.20531
2550.0000 -195.84051 -186.92123 8.91928 2.59261 -187.86476 792.63877
2555.0000 -195.91593 -187.76634 8.14959 2.66271 -186.56327 838.36352
2560.0000 -196.54318 -188.32855 8.21464 2.58458 -188.01371 807.77277
2565.0000 -197.30023 -187.86707 9.43316 2.54147 -188.81417 773.01083
2570.0000 -195.72588 -187.34976 8.37612 2.56575 -188.36339 841.55581
2575.0000 -195.87668 -187.08504 8.79164 2.61083 -187.52635 854.31164
2580.0000 -196.61438 -188.57013 8.04425 2.55151 -188.62769 783.66086
2585.0000 -195.41131 -186.78430 8.62700 2.60247 -187.68168 801.89605
2590.0000 -195.71851 -186.64675 9.07176 2.65793 -186.65184 838.22078
2595.0000 -194.79356 -186.14339 8.65017 2.69274 -186.00555 862.69249
2600.0000 -196.35441 -188.05112 8.30328 2.65154 -186.77062 838.79079
2605.0000 -196.12362 -186.89722 9.22641 2.60712 -187.59528 818.69936
2610.0000 -195.68785 -186.15818 9.52967 2.62045 -187.34778 848.27896
2615.0000 -195.24270 -185.55641 9.68628 2.68974 -186.06139 855.09790
2620.0000 -194.76387 -185.25631 9.50755 2.71483 -185.59559 906.77780
2625.0000 -193.42942 -185.29581 8.13361 2.68522 -186.14529 858.52959
2630.0000 -195.48505 -186.78939 8.69567 2.65726 -186.66429 837.83202
2635.0000 -196.07250 -187.45787 8.61463 2.58569 -187.99320 805.58661
2640.0000 -195.94250 -187.52719 8.41531 2.60926 -187.55549 816.03404
2645.0000 -197.08360 -187.28809 9.79552 2.57997 -188.09945 808.02525
2650.0000 -194.12870 -187.17436 6.95434 2.69393 -185.98358 887.99835
2655.0000 -195.74440 -186.19354 9.55086 2.62769 -187.21342 828.53912
2660.0000 -195.60796 -186.32868 9.27928 2.63397 -187.09669 856.02356
2665.0000 -196.75427 -187.90664 8.84763 2.60230 -187.68481 825.69537
2670.0000 -197.19614 -188.38836 8.80778 2.58278 -188.04715 788.25821
2675.0000 -195.90924 -187.65196 8.25729 2.61544 -187.44088 812.45414
2680.0000 -195.23596 -186.47788 8.75808 2.60082 -187.71233 820.95689
2685.0000 -197.48858 -188.45544 9.03314 2.60850 -187.56957 820.68520
2690.0000 -194.98749 -185.89192 9.09556 2.62000 -187.35620 833.02631
2695.0000 -193.76486 -186.13662 7.62824 2.64286 -186.93178 849.60873
2700.0000 -196.15774 -187.01823 9.13952 2.71152 -185.65703 886.36651
2705.0000 -196.58145 -188.17626 8.40519 2.60839 -187.57178 849.21053
2710.0000 -194.89101 -186.43133 8.45968 2.61617 -187.42733 816.10859
2715.0000 -195.96397 -187.55411 8.40986 2.62918 -187.18576 835.57432
2720.0000 -196.13302 -185.12766 11.00536 2.67754 -186.28788 846.63869
2725.0000 -195.65307 -186.65939 8.99368 2.65666 -186.67547 841.58749
2730.0000 -196.53171 -186.91936 9.61235 2.64464 -186.89875 846.07638
2735.0000 -196.33649 -187.28788 9.04861 2.62419 -187.27835 834.65153
2740.0000 -195.98825 -187.49365 8.49460 2.62710 -187.22432 824.15881
2745.0000 -196.90338 -188.88457 8.01881 2.58823 -187.94600 805.93343
2750.0000 -194.37192 -185.98316 8.38875 2.64105 -186.96525 831.48828
FREEZING PROCESS: loop number 12 T-loop= 812.00000000000000
main_MD> interactions number 12 at Temperature= 812.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71208 1.74253 3.26232
force_rgl> df(natom) -2.01555 -1.96337 0.27329
2755.0000 -195.73075 -187.45694 8.27380 2.60649 -187.60696 835.77297
2760.0000 -197.19577 -188.90451 8.29126 2.57924 -188.11282 787.49427
2765.0000 -195.05383 -188.05449 6.99934 2.53035 -189.02056 749.53301
2770.0000 -196.39654 -186.81048 9.58607 2.61367 -187.47371 822.74172
2775.0000 -195.72977 -186.66902 9.06075 2.64390 -186.91249 849.01641
2780.0000 -195.22535 -186.23974 8.98561 2.70528 -185.77284 861.48465
2785.0000 -196.35855 -187.12131 9.23724 2.64630 -186.86784 835.90155
2790.0000 -195.00556 -186.74011 8.26545 2.60208 -187.68895 808.00728
2795.0000 -196.57891 -187.46900 9.10991 2.62828 -187.20246 819.22500
2800.0000 -195.89292 -186.34335 9.54957 2.64765 -186.84283 849.60892
2805.0000 -197.24086 -188.28510 8.95576 2.65252 -186.75237 854.98115
2810.0000 -195.96394 -188.80644 7.15750 2.53874 -188.86484 767.12764
2815.0000 -197.06275 -187.78548 9.27727 2.57154 -188.25590 796.57822
2820.0000 -198.55579 -190.18695 8.36884 2.54266 -188.79202 775.87261
2825.0000 -196.81217 -189.23050 7.58167 2.51585 -189.28977 764.66951
2830.0000 -196.60724 -187.93714 8.67010 2.56226 -188.42823 797.06781
2835.0000 -195.87174 -186.23367 9.63807 2.67140 -186.40175 851.49379
2840.0000 -195.50289 -186.62856 8.87433 2.65773 -186.65558 847.18968
2845.0000 -195.58515 -186.10403 9.48113 2.69875 -185.89401 854.56081
2850.0000 -195.58395 -186.92837 8.65558 2.68626 -186.12590 872.65466
2855.0000 -194.66969 -188.10252 6.56717 2.63412 -187.09408 833.46023
2860.0000 -193.47661 -185.15855 8.31807 2.62857 -187.19695 813.36740
2865.0000 -195.71860 -186.36802 9.35058 2.67651 -186.30688 850.24930
2870.0000 -193.61856 -183.83760 9.78096 2.75621 -184.82731 909.81136
2875.0000 -196.21101 -188.17602 8.03499 2.65361 -186.73222 846.67440
2880.0000 -196.88846 -189.19428 7.69418 2.52030 -189.20728 766.81973
2885.0000 -198.11936 -190.40379 7.71557 2.49555 -189.66667 741.17533
2890.0000 -196.60188 -189.06219 7.53968 2.48967 -189.77582 732.94918
2895.0000 -194.89438 -186.85176 8.04262 2.58812 -187.94797 805.78659
2900.0000 -195.06706 -185.40781 9.65926 2.68953 -186.06518 862.75347
2905.0000 -195.82319 -187.44657 8.37662 2.65864 -186.63876 851.81873
2910.0000 -196.53377 -188.06494 8.46883 2.59806 -187.76352 797.64645
2915.0000 -194.96649 -188.04126 6.92523 2.61122 -187.51914 811.38152
2920.0000 -197.46507 -189.57921 7.88586 2.52512 -189.11772 768.33071
2925.0000 -196.21881 -188.05975 8.15906 2.51248 -189.35248 759.81604
2930.0000 -195.67553 -188.44644 7.22909 2.54362 -188.77418 787.62740
2935.0000 -196.36221 -188.65049 7.71172 2.55893 -188.48996 791.77506
2940.0000 -196.60583 -188.01332 8.59251 2.57069 -188.27172 790.53724
2945.0000 -196.78225 -187.69558 9.08667 2.62089 -187.33963 804.87748
2950.0000 -197.13740 -188.33060 8.80680 2.55886 -188.49126 780.49924
2955.0000 -197.53867 -189.57706 7.96161 2.52467 -189.12602 777.39919
2960.0000 -196.34351 -189.62826 6.71525 2.53312 -188.96917 774.40177
2965.0000 -196.77623 -189.22114 7.55509 2.54460 -188.75601 763.44569
2970.0000 -196.44370 -188.03370 8.40999 2.55691 -188.52745 766.98616
2975.0000 -199.25833 -190.19267 9.06566 2.52500 -189.11987 757.18436
2980.0000 -196.47040 -189.37393 7.09646 2.47962 -189.96246 720.63490
2985.0000 -197.04450 -189.76695 7.27755 2.49650 -189.64906 761.40758
2990.0000 -196.68257 -188.97280 7.70978 2.49503 -189.67648 736.86560
2995.0000 -196.52371 -188.80756 7.71616 2.51619 -189.28346 763.64878
3000.0000 -197.04037 -188.55723 8.48313 2.57848 -188.12706 794.71541
FREEZING PROCESS: loop number 13 T-loop= 787.00000000000000
main_MD> interactions number 13 at Temperature= 787.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33559 -4.22599 -2.79400
force_rgl> df(natom) 3.83082 -2.01617 3.01323
3005.0000 -195.25307 -186.00001 9.25306 2.58927 -187.92670 780.84424
3010.0000 -196.49810 -187.29957 9.19853 2.64962 -186.80619 837.52287
3015.0000 -195.73534 -188.33688 7.39845 2.56127 -188.44663 779.21236
3020.0000 -197.39629 -189.24299 8.15329 2.49686 -189.64245 736.29344
3025.0000 -195.97008 -187.66841 8.30167 2.55412 -188.57921 793.14691
3030.0000 -195.96845 -187.66531 8.30313 2.62977 -187.17470 849.01923
3035.0000 -195.44784 -187.82661 7.62123 2.62263 -187.30735 815.01645
3040.0000 -196.48487 -187.90243 8.58244 2.61882 -187.37798 820.38532
3045.0000 -197.38518 -188.85984 8.52535 2.52131 -189.18843 773.90198
3050.0000 -196.51296 -186.49682 10.01614 2.61759 -187.40095 835.64835
3055.0000 -195.21837 -185.50124 9.71713 2.71542 -185.58462 882.00926
3060.0000 -194.57956 -186.08680 8.49276 2.68648 -186.12179 840.92177
3065.0000 -194.42629 -185.44695 8.97934 2.70085 -185.85509 853.83397
3070.0000 -196.67311 -188.22245 8.45067 2.66252 -186.56679 854.25502
3075.0000 -196.35732 -188.55683 7.80050 2.56423 -188.39157 785.47413
3080.0000 -197.18767 -188.81933 8.36834 2.55208 -188.61718 806.25428
3085.0000 -195.83092 -186.86961 8.96131 2.60576 -187.62045 827.46545
3090.0000 -196.28269 -187.96769 8.31500 2.60357 -187.66117 809.25170
3095.0000 -195.25440 -188.27615 6.97825 2.57380 -188.21390 781.68019
3100.0000 -196.66324 -187.85121 8.81202 2.59578 -187.80591 781.61510
3105.0000 -196.39440 -188.47384 7.92057 2.58752 -187.95926 792.09750
3110.0000 -195.58002 -186.72450 8.85552 2.57042 -188.27667 796.52525
3115.0000 -195.95942 -188.31364 7.64578 2.62285 -187.30317 832.14873
3120.0000 -196.63822 -187.51085 9.12736 2.62844 -187.19939 853.08915
3125.0000 -196.79612 -188.65279 8.14333 2.59418 -187.83554 796.89977
3130.0000 -196.60733 -187.10821 9.49912 2.59118 -187.89119 800.53516
3135.0000 -196.36381 -188.12575 8.23806 2.59549 -187.81127 811.89370
3140.0000 -195.84462 -187.56661 8.27801 2.58935 -187.92521 805.90257
3145.0000 -197.56412 -189.97178 7.59234 2.57544 -188.18343 793.89296
3150.0000 -197.72927 -188.31771 9.41156 2.56483 -188.38042 798.89593
3155.0000 -197.96718 -189.31000 8.65719 2.57976 -188.10318 804.80134
3160.0000 -196.87223 -188.85889 8.01334 2.52596 -189.10213 774.62423
3165.0000 -196.84136 -189.31070 7.53066 2.55744 -188.51770 799.23485
3170.0000 -196.79175 -188.33717 8.45458 2.56461 -188.38453 774.02769
3175.0000 -196.42187 -187.76212 8.65974 2.57425 -188.20548 803.12879
3180.0000 -196.90299 -187.93411 8.96888 2.59163 -187.88296 807.29473
3185.0000 -196.18382 -188.07360 8.11022 2.53679 -188.90108 756.26503
3190.0000 -196.72163 -188.11380 8.60784 2.60236 -187.68364 810.30744
3195.0000 -196.20059 -188.06600 8.13459 2.54298 -188.78616 794.42071
3200.0000 -196.01025 -186.12552 9.88472 2.66973 -186.43291 836.22447
3205.0000 -196.30773 -188.62552 7.68221 2.59094 -187.89570 801.79893
3210.0000 -197.36315 -188.78678 8.57637 2.54558 -188.73781 779.01487
3215.0000 -197.58588 -189.02914 8.55675 2.57364 -188.21690 802.58453
3220.0000 -197.23827 -188.53998 8.69829 2.49289 -189.71607 757.24344
3225.0000 -196.24181 -187.69643 8.54537 2.60252 -187.68072 817.94422
3230.0000 -197.08212 -188.62512 8.45699 2.57109 -188.26430 804.29545
3235.0000 -196.83711 -188.94649 7.89062 2.55986 -188.47272 780.01114
3240.0000 -197.06027 -189.50677 7.55349 2.54966 -188.66210 781.27050
3245.0000 -197.09368 -189.65043 7.44325 2.48763 -189.81383 739.59567
3250.0000 -196.29094 -188.07551 8.21543 2.55570 -188.55000 773.06239
FREEZING PROCESS: loop number 14 T-loop= 762.00000000000000
main_MD> interactions number 14 at Temperature= 762.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46927 1.41165 0.48723
force_rgl> df(natom) 1.07077 0.42761 0.15915
3255.0000 -197.66227 -190.03501 7.62726 2.50916 -189.41410 748.19438
3260.0000 -196.80429 -189.46896 7.33533 2.45245 -190.46703 719.88294
3265.0000 -198.32705 -189.75980 8.56725 2.48352 -189.89007 751.81775
3270.0000 -198.73494 -190.27090 8.46405 2.51343 -189.33481 786.15940
3275.0000 -196.75492 -189.03946 7.71546 2.50195 -189.54792 753.75094
3280.0000 -198.28409 -190.28163 8.00245 2.50421 -189.50602 759.88821
3285.0000 -197.77936 -190.48842 7.29095 2.47363 -190.07375 737.89009
3290.0000 -195.28885 -187.24628 8.04257 2.52739 -189.07562 742.21677
3295.0000 -198.46575 -190.44158 8.02417 2.53239 -188.98282 758.87017
3300.0000 -195.69059 -188.39841 7.29218 2.54255 -188.79405 767.45410
3305.0000 -197.53058 -190.16273 7.36785 2.50476 -189.49566 744.63161
3310.0000 -197.28338 -189.76365 7.51973 2.48929 -189.78299 760.62916
3315.0000 -195.20961 -186.74366 8.46595 2.53888 -188.86228 780.47734
3320.0000 -196.33480 -187.96390 8.37090 2.58650 -187.97804 809.76987
3325.0000 -195.04908 -186.27225 8.77683 2.63972 -186.98999 835.78629
3330.0000 -196.80434 -187.77133 9.03301 2.59043 -187.90509 806.86517
3335.0000 -195.86336 -187.45407 8.40930 2.59480 -187.82394 828.75611
3340.0000 -196.23076 -187.68314 8.54761 2.64345 -186.92071 853.66498
3345.0000 -195.82453 -188.00267 7.82186 2.58966 -187.91939 818.55731
3350.0000 -197.44876 -187.84282 9.60594 2.61513 -187.44650 828.94442
3355.0000 -196.37639 -188.83874 7.53765 2.55288 -188.60238 787.64089
3360.0000 -196.78508 -188.71495 8.07013 2.52568 -189.10725 759.23615
3365.0000 -195.85739 -188.30828 7.54911 2.54349 -188.77660 772.76141
3370.0000 -196.24252 -189.68663 6.55588 2.53204 -188.98927 778.97279
3375.0000 -195.45041 -187.16437 8.28604 2.54535 -188.74209 788.25444
3380.0000 -196.53827 -189.53151 7.00676 2.62561 -187.25204 845.29824
3385.0000 -196.93336 -190.04091 6.89245 2.46436 -190.24577 738.12747
3390.0000 -197.34548 -190.07299 7.27249 2.47788 -189.99479 724.67300
3395.0000 -196.92565 -188.87397 8.05168 2.51738 -189.26137 736.93957
3400.0000 -196.84094 -189.21774 7.62320 2.50577 -189.47696 760.28198
3405.0000 -196.20301 -187.98509 8.21792 2.58185 -188.06445 807.46177
3410.0000 -196.27981 -189.11557 7.16424 2.52703 -189.08228 761.59448
3415.0000 -197.80764 -189.76606 8.04157 2.48434 -189.87486 748.49836
3420.0000 -196.02142 -188.08792 7.93350 2.54417 -188.76409 775.19461
3425.0000 -196.99131 -188.38609 8.60522 2.56107 -188.45032 801.89619
3430.0000 -195.60558 -187.96973 7.63585 2.58303 -188.04261 799.87829
3435.0000 -195.17534 -187.43137 7.74397 2.59293 -187.85875 813.70252
3440.0000 -196.57545 -187.98764 8.58781 2.58991 -187.91486 833.66205
3445.0000 -197.86039 -189.48218 8.37821 2.51872 -189.23664 791.16810
3450.0000 -196.63931 -188.62011 8.01921 2.56021 -188.46619 795.18915
3455.0000 -196.90488 -188.08569 8.81919 2.55861 -188.49602 795.97228
3460.0000 -196.90780 -189.75572 7.15208 2.52173 -189.18060 742.23713
3465.0000 -197.63444 -189.34462 8.28982 2.48570 -189.84959 720.75744
3470.0000 -197.15401 -189.07697 8.07704 2.51847 -189.24114 773.69290
3475.0000 -197.36141 -189.26530 8.09611 2.48571 -189.84943 734.12953
3480.0000 -196.84358 -188.83926 8.00432 2.53696 -188.89797 768.04266
3485.0000 -198.45988 -189.72190 8.73798 2.51761 -189.25721 758.64346
3490.0000 -195.76965 -187.22772 8.54193 2.55326 -188.59525 770.35174
3495.0000 -194.82334 -186.47209 8.35125 2.69206 -186.01829 852.03125
3500.0000 -197.37778 -188.71553 8.66226 2.59335 -187.85089 835.49356
FREEZING PROCESS: loop number 15 T-loop= 737.00000000000000
main_MD> interactions number 15 at Temperature= 737.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89382 0.06558 1.50295
force_rgl> df(natom) -1.51161 0.02900 -3.12584
3505.0000 -197.53489 -189.88447 7.65042 2.52245 -189.16732 768.17956
3510.0000 -199.12217 -191.72759 7.39458 2.40308 -191.38357 708.72208
3515.0000 -198.04238 -190.41621 7.62618 2.39055 -191.61617 660.52199
3520.0000 -197.15386 -188.99766 8.15620 2.48730 -189.81998 725.78770
3525.0000 -197.52109 -189.64210 7.87898 2.50612 -189.47057 741.57284
3530.0000 -197.22045 -190.05707 7.16339 2.44260 -190.64979 688.92619
3535.0000 -197.21592 -188.33025 8.88567 2.50909 -189.41526 752.36934
3540.0000 -196.77073 -189.51428 7.25645 2.56220 -188.42928 778.54095
3545.0000 -196.59010 -188.47522 8.11489 2.53720 -188.89352 745.55529
3550.0000 -196.86652 -188.73857 8.12795 2.56671 -188.34555 790.54105
3555.0000 -197.79202 -189.92961 7.86241 2.51004 -189.39765 779.95746
3560.0000 -197.29020 -189.61035 7.67985 2.45559 -190.40863 715.60301
3565.0000 -198.01562 -189.78483 8.23079 2.45932 -190.33948 729.32231
3570.0000 -197.91248 -190.07822 7.83426 2.47627 -190.02477 731.67352
3575.0000 -198.01679 -189.22306 8.79373 2.48307 -189.89840 720.18086
3580.0000 -197.47571 -189.64310 7.83261 2.50026 -189.57928 744.79826
3585.0000 -199.27139 -191.55231 7.71908 2.46493 -190.23531 730.44067
3590.0000 -197.57066 -190.80931 6.76135 2.43545 -190.78258 717.31769
3595.0000 -197.66886 -190.34352 7.32534 2.47376 -190.07131 753.26446
3600.0000 -197.37616 -190.75911 6.61705 2.41783 -191.10970 688.22709
3605.0000 -197.97087 -190.28009 7.69078 2.43586 -190.77490 712.35963
3610.0000 -197.89769 -190.89576 7.00193 2.45669 -190.38824 716.90551
3615.0000 -197.32887 -190.35666 6.97221 2.43939 -190.70935 712.73036
3620.0000 -196.03692 -187.57224 8.46468 2.56832 -188.31573 798.62677
3625.0000 -195.13405 -186.94863 8.18542 2.54694 -188.71261 774.71126
3630.0000 -196.34519 -188.15199 8.19320 2.60867 -187.56656 801.59202
3635.0000 -197.38036 -190.30755 7.07281 2.52112 -189.19195 734.47090
3640.0000 -197.81904 -190.89644 6.92260 2.49486 -189.67951 761.23687
3645.0000 -196.64719 -188.94010 7.70709 2.51599 -189.28719 763.10301
3650.0000 -197.47642 -190.18411 7.29231 2.47981 -189.95900 737.92970
3655.0000 -198.71007 -190.19870 8.51137 2.45606 -190.39984 719.98127
3660.0000 -197.34428 -188.29879 9.04549 2.49018 -189.76640 744.55571
3665.0000 -198.28964 -190.59133 7.69831 2.49037 -189.76297 724.73596
3670.0000 -197.16550 -189.81510 7.35040 2.46786 -190.18088 715.93976
3675.0000 -196.62484 -188.44260 8.18223 2.54645 -188.72168 760.76895
3680.0000 -197.84977 -190.59621 7.25355 2.47247 -190.09528 729.56162
3685.0000 -196.61695 -189.17569 7.44126 2.48197 -189.91886 748.69934
3690.0000 -197.02747 -188.55984 8.46762 2.54147 -188.81423 778.84156
3695.0000 -197.36744 -189.82351 7.54394 2.51971 -189.21820 743.54650
3700.0000 -198.07122 -190.13249 7.93873 2.43315 -190.82531 705.42215
3705.0000 -197.60849 -189.53435 8.07414 2.49255 -189.72251 751.52280
3710.0000 -197.67481 -188.93721 8.73760 2.52565 -189.10780 759.19621
3715.0000 -197.73197 -189.89415 7.83782 2.50639 -189.46540 766.51408
3720.0000 -197.69207 -190.24700 7.44508 2.47604 -190.02889 731.12445
3725.0000 -198.37846 -190.77857 7.59988 2.44567 -190.59289 717.86401
3730.0000 -198.17234 -190.12829 8.04404 2.47022 -190.13704 745.43208
3735.0000 -197.33723 -190.10577 7.23147 2.48801 -189.80668 732.39088
3740.0000 -198.15065 -190.86370 7.28695 2.45599 -190.40119 716.10701
3745.0000 -198.28081 -191.09056 7.19025 2.41367 -191.18688 706.87467
3750.0000 -197.98293 -189.12073 8.86220 2.47890 -189.97587 734.75657
FREEZING PROCESS: loop number 16 T-loop= 712.00000000000000
main_MD> interactions number 16 at Temperature= 712.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16755 0.32964 -1.97986
force_rgl> df(natom) 3.01549 -0.97421 1.09449
3755.0000 -197.20054 -190.32367 6.87686 2.51300 -189.34281 751.22480
3760.0000 -199.02748 -191.47474 7.55274 2.44372 -190.62895 707.89831
3765.0000 -198.79396 -191.41293 7.38102 2.38751 -191.67267 688.20912
3770.0000 -197.39087 -189.65018 7.74069 2.40705 -191.30982 673.00155
3775.0000 -198.02054 -191.19724 6.82329 2.43053 -190.87389 693.33082
3780.0000 -198.92499 -190.29819 8.62680 2.44494 -190.60629 710.74701
3785.0000 -198.23194 -190.55289 7.67905 2.47542 -190.04043 700.28650
3790.0000 -196.21031 -188.12452 8.08580 2.53069 -189.01423 751.34613
3795.0000 -196.14827 -187.99661 8.15166 2.57256 -188.23687 778.22580
3800.0000 -198.68615 -191.10675 7.57939 2.48293 -189.90097 727.80965
3805.0000 -197.96261 -191.20996 6.75265 2.42401 -190.99500 703.22706
3810.0000 -199.47397 -192.83278 6.64119 2.34418 -192.47719 649.03173
3815.0000 -198.25432 -191.33222 6.92210 2.35370 -192.30029 671.85507
3820.0000 -196.04705 -188.81062 7.23643 2.48547 -189.85391 739.07172
3825.0000 -198.42052 -190.23874 8.18178 2.51482 -189.30905 775.79727
3830.0000 -198.12001 -190.70540 7.41462 2.45071 -190.49922 712.37820
3835.0000 -197.31478 -190.46892 6.84585 2.47091 -190.12412 710.82295
3840.0000 -199.66142 -192.30550 7.35592 2.41051 -191.24557 690.90867
3845.0000 -198.31665 -191.08931 7.22735 2.35422 -192.29075 668.51923
3850.0000 -198.59774 -191.22547 7.37226 2.38753 -191.67236 659.79355
3855.0000 -199.51046 -191.11238 8.39808 2.44122 -190.67544 707.00370
3860.0000 -197.62229 -190.42181 7.20048 2.45937 -190.33849 724.61105
3865.0000 -198.27059 -191.25784 7.01275 2.46282 -190.27439 743.01086
3870.0000 -196.59819 -189.26103 7.33716 2.46364 -190.25910 719.44610
3875.0000 -198.32342 -190.50406 7.81936 2.44841 -190.54204 731.64212
3880.0000 -197.92934 -190.45638 7.47296 2.45928 -190.34005 744.43362
3885.0000 -197.49773 -189.72730 7.77042 2.42686 -190.94206 712.44045
3890.0000 -198.10070 -189.83195 8.26875 2.46115 -190.30534 717.61934
3895.0000 -198.77688 -192.17364 6.60323 2.41067 -191.24272 689.39196
3900.0000 -197.98502 -189.87474 8.11028 2.38642 -191.69280 664.39660
3905.0000 -198.15666 -190.43939 7.71727 2.45372 -190.44343 701.05758
3910.0000 -198.19174 -191.62225 6.56948 2.43261 -190.83537 705.04476
3915.0000 -197.98773 -191.57632 6.41141 2.38076 -191.79788 668.62276
3920.0000 -199.36445 -191.52729 7.83716 2.40746 -191.30227 698.04690
3925.0000 -199.36716 -191.71418 7.65298 2.39704 -191.49572 700.09543
3930.0000 -197.83694 -191.21912 6.61782 2.41508 -191.16071 691.72630
3935.0000 -197.90523 -191.03233 6.87291 2.36775 -192.03954 687.18455
3940.0000 -198.31388 -191.03234 7.28153 2.46160 -190.29698 715.76615
3945.0000 -197.11269 -189.99576 7.11693 2.46402 -190.25207 703.69823
3950.0000 -198.31727 -190.69546 7.62181 2.44139 -190.67234 708.22561
3955.0000 -196.49803 -189.75258 6.74544 2.48253 -189.90848 717.64981
3960.0000 -198.94234 -192.01579 6.92655 2.42643 -190.95002 688.41066
3965.0000 -198.09455 -191.66255 6.43200 2.38509 -191.71751 657.96414
3970.0000 -198.28650 -191.08722 7.19928 2.41262 -191.20642 666.16008
3975.0000 -197.38486 -190.94694 6.43792 2.37836 -191.84249 656.39246
3980.0000 -198.84776 -191.80486 7.04289 2.37945 -191.82224 674.22944
3985.0000 -199.88117 -192.49114 7.39002 2.39210 -191.58737 687.96418
3990.0000 -199.28660 -192.47073 6.81587 2.36763 -192.04173 681.97616
3995.0000 -199.69395 -192.60486 7.08908 2.35354 -192.30342 652.21243
4000.0000 -200.08541 -193.59285 6.49256 2.29407 -193.40751 635.46545
FREEZING PROCESS: loop number 17 T-loop= 687.00000000000000
main_MD> interactions number 17 at Temperature= 687.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.27653 -3.21165 1.54577
force_rgl> df(natom) 0.66437 1.67152 -0.28684
4005.0000 -199.68061 -192.32098 7.35963 2.29843 -193.32648 621.33669
4010.0000 -198.67697 -191.20733 7.46963 2.39415 -191.54931 693.08806
4015.0000 -196.99331 -190.17811 6.81520 2.44451 -190.61434 697.50645
4020.0000 -197.93441 -190.87194 7.06247 2.45047 -190.50372 704.76664
4025.0000 -197.80913 -189.40207 8.40706 2.44379 -190.62767 698.08810
4030.0000 -197.95604 -190.67077 7.28527 2.45788 -190.36605 723.94317
4035.0000 -199.26145 -192.17762 7.08383 2.36292 -192.12916 663.72889
4040.0000 -198.79124 -191.33083 7.46041 2.38876 -191.64952 665.92954
4045.0000 -197.26712 -190.50169 6.76542 2.46222 -190.28556 698.58791
4050.0000 -199.54223 -191.32293 8.21930 2.42737 -190.93262 698.66037
4055.0000 -198.60849 -190.60502 8.00347 2.42589 -190.96014 699.25740
4060.0000 -198.06032 -190.70421 7.35611 2.43692 -190.75522 688.61478
4065.0000 -198.97515 -191.93917 7.03597 2.40757 -191.30017 682.75750
4070.0000 -198.77541 -190.64834 8.12707 2.41525 -191.15763 692.80693
4075.0000 -197.18996 -190.44734 6.74262 2.46464 -190.24066 738.15223
4080.0000 -198.77577 -191.79895 6.97682 2.43107 -190.86389 719.70440
4085.0000 -198.48083 -191.38938 7.09145 2.39725 -191.49180 679.37972
4090.0000 -198.63874 -190.97694 7.66180 2.40997 -191.25569 672.01039
4095.0000 -198.21601 -191.99772 6.21829 2.42225 -191.02766 674.75250
4100.0000 -199.14497 -192.07329 7.07168 2.38827 -191.65848 656.19536
4105.0000 -199.22482 -191.61874 7.60609 2.39449 -191.54297 670.80513
4110.0000 -196.83904 -190.45219 6.38685 2.42299 -191.01394 677.77594
4115.0000 -198.28791 -191.59516 6.69276 2.41560 -191.15109 665.25683
4120.0000 -199.53286 -192.41410 7.11876 2.38341 -191.74878 682.03783
4125.0000 -199.14860 -192.54598 6.60262 2.33498 -192.64784 621.46220
4130.0000 -199.00371 -190.84595 8.15777 2.38080 -191.79721 685.49219
4135.0000 -198.87168 -191.47324 7.39845 2.41881 -191.09143 701.61828
4140.0000 -198.34531 -189.83714 8.50817 2.42403 -190.99462 704.15899
4145.0000 -197.75178 -190.47384 7.27794 2.46634 -190.20904 721.61385
4150.0000 -198.53064 -192.04481 6.48583 2.40524 -191.34349 658.10275
4155.0000 -199.33835 -192.72014 6.61821 2.33238 -192.69623 628.93796
4160.0000 -198.70323 -191.62188 7.08135 2.33574 -192.63381 640.70780
4165.0000 -198.77274 -191.81855 6.95419 2.40823 -191.28791 695.21102
4170.0000 -199.30059 -192.11865 7.18194 2.39040 -191.61892 674.72354
4175.0000 -199.16777 -192.13332 7.03446 2.34370 -192.48594 656.56354
4180.0000 -197.03714 -190.95602 6.08112 2.42091 -191.05252 678.07374
4185.0000 -197.56568 -191.16250 6.40318 2.40517 -191.34484 684.82149
4190.0000 -199.31667 -193.01714 6.29953 2.36002 -192.18295 648.60406
4195.0000 -198.73035 -191.56675 7.16360 2.36681 -192.05697 664.18642
4200.0000 -200.70777 -193.84378 6.86399 2.37006 -191.99667 679.11845
4205.0000 -198.96921 -192.50902 6.46018 2.33081 -192.72540 632.90693
4210.0000 -199.08494 -191.76706 7.31788 2.35093 -192.35175 652.94952
4215.0000 -198.43426 -191.86410 6.57016 2.38428 -191.73263 668.70183
4220.0000 -198.33312 -191.32467 7.00845 2.40488 -191.35007 696.24873
4225.0000 -198.14541 -190.97101 7.17439 2.40649 -191.32029 701.14965
4230.0000 -199.36171 -192.45567 6.90604 2.44338 -190.63533 711.30738
4235.0000 -199.66231 -191.47744 8.18486 2.38869 -191.65070 686.48394
4240.0000 -198.39225 -191.09075 7.30150 2.43106 -190.86417 721.76419
4245.0000 -198.95964 -191.66989 7.28975 2.40524 -191.34353 683.37605
4250.0000 -197.58517 -189.30220 8.28296 2.43949 -190.70758 697.84612
FREEZING PROCESS: loop number 18 T-loop= 662.00000000000000
main_MD> interactions number 18 at Temperature= 662.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.53231 0.72139 -3.72391
force_rgl> df(natom) -1.78500 0.77049 0.18409
4255.0000 -198.69444 -190.93843 7.75601 2.48959 -189.77738 729.59001
4260.0000 -197.57800 -191.02528 6.55272 2.41547 -191.15353 697.75088
4265.0000 -197.66752 -190.39017 7.27735 2.48040 -189.94797 730.44806
4270.0000 -197.12458 -189.76330 7.36128 2.43460 -190.79844 687.73809
4275.0000 -197.31941 -190.65322 6.66620 2.47563 -190.03663 700.81587
4280.0000 -198.32550 -192.06400 6.26150 2.40180 -191.40731 665.91242
4285.0000 -198.18843 -192.11428 6.07414 2.38878 -191.64901 664.61596
4290.0000 -198.28343 -190.92723 7.35620 2.38257 -191.76430 630.57943
4295.0000 -198.80207 -191.53266 7.26941 2.39613 -191.51267 673.11466
4300.0000 -198.63749 -191.47759 7.15990 2.40428 -191.36133 703.09730
4305.0000 -199.36654 -191.66142 7.70512 2.39497 -191.53408 688.07502
4310.0000 -199.28304 -192.17023 7.11281 2.38317 -191.75318 674.43384
4315.0000 -200.25440 -194.24969 6.00472 2.31143 -193.08513 619.16137
4320.0000 -198.88040 -192.46987 6.41054 2.28448 -193.58549 607.33899
4325.0000 -198.74173 -192.60380 6.13793 2.33453 -192.65625 627.85605
4330.0000 -198.14775 -191.84551 6.30223 2.32242 -192.88115 633.71635
4335.0000 -197.98860 -191.63161 6.35699 2.36617 -192.06887 658.33984
4340.0000 -197.63915 -190.26813 7.37101 2.39703 -191.49594 639.40504
4345.0000 -197.43707 -190.59250 6.84457 2.44616 -190.58377 702.23178
4350.0000 -196.42071 -190.31286 6.10785 2.44662 -190.57518 706.99833
4355.0000 -200.02409 -192.50890 7.51519 2.37657 -191.87575 682.55465
4360.0000 -199.25053 -192.63039 6.62015 2.32137 -192.90061 628.62242
4365.0000 -200.66128 -194.64827 6.01301 2.29922 -193.31192 633.57874
4370.0000 -200.26199 -193.21443 7.04755 2.23312 -194.53901 578.03493
4375.0000 -201.32928 -193.92530 7.40399 2.30464 -193.21117 639.65536
4380.0000 -199.57754 -192.67644 6.90110 2.28336 -193.60629 630.25668
4385.0000 -199.19897 -192.04292 7.15604 2.34204 -192.51689 659.40518
4390.0000 -198.58258 -191.40173 7.18084 2.40045 -191.43241 699.40025
4395.0000 -198.56968 -192.05295 6.51672 2.40751 -191.30130 664.71314
4400.0000 -198.91144 -192.01729 6.89414 2.39661 -191.50365 656.26629
4405.0000 -198.74537 -192.15634 6.58902 2.32794 -192.77864 630.23953
4410.0000 -200.20652 -193.88762 6.31890 2.36253 -192.13648 654.28092
4415.0000 -199.38682 -192.67713 6.70969 2.31303 -193.05547 637.71355
4420.0000 -198.43000 -191.59355 6.83645 2.33474 -192.65231 637.16672
4425.0000 -198.43890 -191.24728 7.19161 2.41421 -191.17700 678.73427
4430.0000 -199.15915 -192.61121 6.54794 2.36165 -192.15274 676.51474
4435.0000 -198.28082 -192.25823 6.02259 2.38402 -191.73741 666.27821
4440.0000 -198.32761 -192.11349 6.21412 2.38972 -191.63170 670.71819
4445.0000 -199.00814 -192.19466 6.81348 2.35772 -192.22572 646.13032
4450.0000 -199.93561 -193.19826 6.73735 2.33334 -192.67842 619.44903
4455.0000 -199.74889 -193.51212 6.23677 2.29266 -193.43372 618.35476
4460.0000 -200.23537 -193.13153 7.10383 2.31886 -192.94728 628.26883
4465.0000 -199.28004 -192.71491 6.56514 2.33016 -192.73741 629.68610
4470.0000 -198.99500 -192.26779 6.72721 2.31225 -193.06992 625.97471
4475.0000 -199.64894 -193.84402 5.80491 2.33107 -192.72056 621.18181
4480.0000 -200.59969 -194.63838 5.96131 2.27561 -193.75014 615.79443
4485.0000 -199.82963 -192.87562 6.95402 2.26145 -194.01313 609.67651
4490.0000 -199.61640 -192.24656 7.36983 2.33448 -192.65719 651.94219
4495.0000 -198.70103 -190.81859 7.88244 2.38492 -191.72065 670.84732
4500.0000 -198.28797 -191.18893 7.09905 2.41655 -191.13339 679.55382
FREEZING PROCESS: loop number 19 T-loop= 637.00000000000000
main_MD> interactions number 19 at Temperature= 637.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58673 0.98874 0.52814
force_rgl> df(natom) 0.21049 -0.79024 -2.43902
4505.0000 -198.58162 -192.06729 6.51434 2.38210 -191.77313 667.37536
4510.0000 -198.40475 -191.78937 6.61538 2.32690 -192.79788 633.00950
4515.0000 -199.24051 -193.22383 6.01668 2.33541 -192.63987 630.83345
4520.0000 -200.12840 -194.47466 5.65374 2.28662 -193.54571 609.13409
4525.0000 -200.17014 -193.52158 6.64856 2.27035 -193.84778 607.10778
4530.0000 -199.26979 -193.23880 6.03100 2.31228 -193.06946 634.71421
4535.0000 -198.55074 -192.15427 6.39647 2.33980 -192.55842 628.55560
4540.0000 -199.27234 -192.09903 7.17332 2.34762 -192.41321 666.14678
4545.0000 -199.01534 -192.31057 6.70476 2.33892 -192.57474 648.14603
4550.0000 -198.40213 -190.97582 7.42631 2.37041 -191.99022 672.90142
4555.0000 -199.11790 -191.56586 7.55204 2.41249 -191.20889 686.32396
4560.0000 -198.76727 -192.53735 6.22992 2.37200 -191.96061 673.80892
4565.0000 -199.21449 -193.03789 6.17660 2.32852 -192.76789 627.87631
4570.0000 -199.22404 -193.25452 5.96952 2.31749 -192.97257 632.74640
4575.0000 -199.90115 -192.21866 7.68249 2.31840 -192.95576 640.58429
4580.0000 -198.42445 -191.98517 6.43928 2.34602 -192.44303 648.73364
4585.0000 -198.99342 -191.91507 7.07835 2.32904 -192.75817 640.49344
4590.0000 -199.70870 -193.64509 6.06360 2.31434 -193.03121 619.47822
4595.0000 -199.62944 -193.42307 6.20637 2.29536 -193.38360 626.25984
4600.0000 -198.57414 -191.29572 7.27841 2.35161 -192.33924 650.61433
4605.0000 -199.36994 -192.57713 6.79280 2.37203 -191.96012 659.54992
4610.0000 -197.96418 -191.77624 6.18795 2.36276 -192.13212 646.71792
4615.0000 -199.40664 -192.03092 7.37572 2.40248 -191.39467 687.79726
4620.0000 -200.60928 -193.66548 6.94380 2.32846 -192.76899 643.26562
4625.0000 -200.67744 -194.55618 6.12127 2.24975 -194.23031 578.48739
4630.0000 -199.63814 -193.23903 6.39911 2.25960 -194.04741 591.34216
4635.0000 -199.10911 -192.67894 6.43017 2.34842 -192.39832 655.16215
4640.0000 -200.23350 -193.98928 6.24422 2.27875 -193.69194 630.77376
4645.0000 -200.42859 -194.68606 5.74252 2.25553 -194.12294 609.77698
4650.0000 -200.00403 -193.82270 6.18133 2.24637 -194.29312 591.06178
4655.0000 -200.08976 -193.92626 6.16350 2.25059 -194.21467 581.56959
4660.0000 -200.26763 -193.64532 6.62231 2.29383 -193.41202 605.47250
4665.0000 -201.06247 -194.38461 6.67786 2.29690 -193.35487 602.97592
4670.0000 -200.09745 -193.89732 6.20012 2.27651 -193.73344 597.02809
4675.0000 -199.97582 -193.72388 6.25194 2.26687 -193.91255 576.16886
4680.0000 -200.03595 -191.49749 8.53846 2.36574 -192.07689 657.85816
4685.0000 -200.15929 -193.40172 6.75757 2.33270 -192.69026 632.00376
4690.0000 -200.53523 -194.15103 6.38420 2.28023 -193.66442 619.39649
4695.0000 -199.12233 -193.69526 5.42706 2.25073 -194.21215 580.71805
4700.0000 -199.91817 -194.04066 5.87751 2.29104 -193.46368 608.00114
4705.0000 -199.52647 -193.70684 5.81962 2.25446 -194.14297 583.75209
4710.0000 -199.52056 -193.21262 6.30794 2.30074 -193.28356 619.98889
4715.0000 -198.79699 -191.94688 6.85011 2.34011 -192.55268 629.32855
4720.0000 -199.48957 -192.40218 7.08739 2.35818 -192.21728 650.22742
4725.0000 -199.19479 -192.79269 6.40209 2.36524 -192.08607 647.66023
4730.0000 -199.44626 -192.05392 7.39234 2.35850 -192.21118 652.22330
4735.0000 -198.94764 -192.70203 6.24562 2.35011 -192.36703 659.32182
4740.0000 -199.42284 -193.27669 6.14615 2.30801 -193.14866 624.73253
4745.0000 -199.59663 -193.83506 5.76157 2.32247 -192.88013 629.76442
4750.0000 -198.67593 -192.68570 5.99022 2.27146 -193.82717 586.81207
FREEZING PROCESS: loop number 20 T-loop= 612.00000000000000
main_MD> interactions number 20 at Temperature= 612.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03712 -1.72966 -0.87952
force_rgl> df(natom) -5.90674 0.08554 1.29667
4755.0000 -200.11230 -193.21736 6.89494 2.32117 -192.90432 624.60708
4760.0000 -199.33508 -192.91114 6.42394 2.32213 -192.88654 609.76674
4765.0000 -198.64741 -193.05449 5.59292 2.29133 -193.45844 591.37208
4770.0000 -199.93808 -193.69824 6.23984 2.28190 -193.63338 593.67031
4775.0000 -199.80710 -192.46310 7.34400 2.34673 -192.42984 643.76126
4780.0000 -200.11113 -192.43209 7.67904 2.37373 -191.92848 661.68302
4785.0000 -200.72515 -194.78704 5.93812 2.30820 -193.14510 639.01055
4790.0000 -200.11126 -194.41951 5.69176 2.24523 -194.31430 588.09886
4795.0000 -200.20381 -193.90970 6.29411 2.26502 -193.94675 592.97658
4800.0000 -199.90930 -193.32227 6.58703 2.31864 -192.95128 652.36191
4805.0000 -199.15476 -193.03510 6.11966 2.30781 -193.15237 621.78494
4810.0000 -200.17974 -193.82089 6.35885 2.31213 -193.07225 622.43048
4815.0000 -201.38692 -194.62445 6.76247 2.24621 -194.29601 587.76176
4820.0000 -200.43324 -194.65089 5.78235 2.20979 -194.97222 565.64198
4825.0000 -200.10427 -193.56839 6.53587 2.23567 -194.49172 575.99563
4830.0000 -198.50828 -193.00180 5.50648 2.30666 -193.17380 629.28706
4835.0000 -198.61337 -192.52006 6.09331 2.33702 -192.61009 637.35536
4840.0000 -198.85893 -192.13024 6.72870 2.34763 -192.41308 647.83546
4845.0000 -199.24900 -192.76186 6.48715 2.36318 -192.12439 671.72662
4850.0000 -200.01594 -193.46964 6.54630 2.31668 -192.98779 643.46118
4855.0000 -201.38620 -195.39886 5.98734 2.19669 -195.21541 594.14737
4860.0000 -202.22956 -196.31634 5.91323 2.12421 -196.56112 549.01186
4865.0000 -201.72036 -196.50184 5.21852 2.17191 -195.67549 558.06431
4870.0000 -200.21231 -194.27417 5.93814 2.19763 -195.19801 558.87751
4875.0000 -200.84327 -195.54387 5.29941 2.22845 -194.62586 586.63656
4880.0000 -200.07097 -194.09253 5.97844 2.26210 -194.00098 597.45659
4885.0000 -200.15711 -194.20922 5.94789 2.27770 -193.71138 619.08151
4890.0000 -200.26226 -193.68237 6.57988 2.27928 -193.68208 598.98925
4895.0000 -200.19573 -194.52989 5.66584 2.25411 -194.14936 580.46359
4900.0000 -201.05697 -195.31851 5.73846 2.22489 -194.69183 571.84557
4905.0000 -199.70819 -193.96457 5.74363 2.22631 -194.66550 581.37317
4910.0000 -201.22063 -194.70949 6.51114 2.26384 -193.96869 596.41148
4915.0000 -199.74965 -193.92181 5.82784 2.26638 -193.92166 598.31083
4920.0000 -200.20940 -193.98382 6.22558 2.28155 -193.63995 594.78096
4925.0000 -199.55130 -192.51616 7.03514 2.30858 -193.13817 621.85324
4930.0000 -200.03861 -193.48288 6.55573 2.28332 -193.60716 589.54106
4935.0000 -199.61261 -193.10967 6.50294 2.28957 -193.49101 605.67360
4940.0000 -199.12962 -193.62041 5.50920 2.29405 -193.40792 614.17997
4945.0000 -199.80902 -193.21617 6.59285 2.30173 -193.26525 626.95808
4950.0000 -199.93435 -193.63718 6.29717 2.28886 -193.50426 632.71121
4955.0000 -199.40092 -192.98517 6.41576 2.28991 -193.48468 622.67335
4960.0000 -199.01616 -192.57552 6.44064 2.31528 -193.01368 622.76111
4965.0000 -199.26467 -191.52179 7.74289 2.39373 -191.55724 696.84458
4970.0000 -198.66708 -192.86473 5.80235 2.40037 -191.43390 686.61065
4975.0000 -199.30656 -193.66187 5.64469 2.33054 -192.73037 625.40883
4980.0000 -199.70204 -193.23644 6.46560 2.30997 -193.11232 608.52689
4985.0000 -199.30632 -193.26679 6.03952 2.28351 -193.60359 610.06717
4990.0000 -201.07069 -194.58557 6.48512 2.26633 -193.92248 607.84125
4995.0000 -200.31805 -194.75001 5.56804 2.22488 -194.69209 566.28158
5000.0000 -198.81446 -192.93658 5.87788 2.27714 -193.72187 611.79202
FREEZING PROCESS: loop number 21 T-loop= 587.00000000000000
main_MD> interactions number 21 at Temperature= 587.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93665 0.43334 -4.61432
force_rgl> df(natom) -2.26979 1.18706 -3.62628
5005.0000 -199.28972 -193.10083 6.18889 2.36161 -192.15357 672.78862
5010.0000 -199.18520 -193.24469 5.94052 2.32290 -192.87213 621.48576
5015.0000 -198.87232 -193.51112 5.36120 2.28397 -193.59505 601.66500
5020.0000 -200.00206 -193.20335 6.79871 2.27233 -193.81114 623.07166
5025.0000 -199.56886 -193.42449 6.14437 2.31849 -192.95404 635.06175
5030.0000 -199.87110 -193.98964 5.88146 2.29257 -193.43528 608.47909
5035.0000 -200.53378 -194.21404 6.31974 2.27175 -193.82194 595.07683
5040.0000 -200.97959 -195.34732 5.63227 2.23210 -194.55797 562.79888
5045.0000 -200.69603 -194.74485 5.95118 2.21795 -194.82074 570.02214
5050.0000 -201.02457 -195.10691 5.91766 2.21393 -194.89538 568.76176
5055.0000 -200.67316 -194.51811 6.15505 2.20459 -195.06878 551.81966
5060.0000 -200.87668 -195.32628 5.55040 2.20776 -195.00997 555.29966
5065.0000 -200.67223 -194.37686 6.29536 2.21755 -194.82812 586.51688
5070.0000 -200.81955 -195.54059 5.27897 2.22464 -194.69661 570.36206
5075.0000 -199.96781 -194.46402 5.50379 2.20233 -195.11074 564.88981
5080.0000 -201.33690 -195.09153 6.24537 2.21558 -194.86478 580.84477
5085.0000 -200.41742 -194.80209 5.61533 2.23101 -194.57833 607.34682
5090.0000 -200.18153 -193.98944 6.19210 2.24276 -194.36008 610.58903
5095.0000 -201.05481 -194.89826 6.15655 2.25722 -194.09174 613.07348
5100.0000 -200.24167 -194.37440 5.86727 2.21667 -194.84449 574.64578
5105.0000 -200.92985 -194.42137 6.50848 2.26037 -194.03310 600.01867
5110.0000 -200.14579 -194.19758 5.94821 2.25714 -194.09315 595.85819
5115.0000 -200.81382 -193.77293 7.04090 2.26223 -193.99865 610.28555
5120.0000 -200.47156 -194.25632 6.21524 2.25149 -194.19806 586.46522
5125.0000 -199.78999 -193.20565 6.58434 2.26920 -193.86917 618.60152
5130.0000 -200.07130 -192.63512 7.43618 2.30749 -193.15840 627.87486
5135.0000 -199.87538 -191.43685 8.43853 2.35689 -192.24116 651.39235
5140.0000 -199.49900 -193.06453 6.43448 2.36164 -192.15294 669.34861
5145.0000 -199.29997 -193.59970 5.70027 2.30497 -193.20507 620.33642
5150.0000 -200.98235 -195.42037 5.56198 2.21056 -194.95790 571.14689
5155.0000 -200.90736 -195.13189 5.77546 2.21027 -194.96339 556.08814
5160.0000 -201.83218 -194.95381 6.87838 2.19867 -195.17877 557.66515
5165.0000 -199.45707 -193.43996 6.01711 2.22125 -194.75947 553.32951
5170.0000 -198.86780 -192.60669 6.26111 2.32061 -192.91479 633.60605
5175.0000 -199.39809 -193.24657 6.15152 2.30395 -193.22396 606.78968
5180.0000 -200.20140 -193.62300 6.57840 2.30898 -193.13073 633.68378
5185.0000 -200.15631 -194.34342 5.81289 2.27834 -193.69954 609.65852
5190.0000 -200.25286 -195.05162 5.20123 2.21423 -194.88977 553.12411
5195.0000 -200.99538 -195.24963 5.74575 2.21173 -194.93631 562.05770
5200.0000 -201.45671 -195.97656 5.48015 2.16119 -195.87460 529.16601
5205.0000 -201.14378 -194.32615 6.81763 2.18386 -195.45367 557.06065
5210.0000 -200.68602 -195.07873 5.60729 2.22294 -194.72808 590.33058
5215.0000 -200.07795 -195.24789 4.83006 2.22386 -194.71095 592.58940
5220.0000 -199.87518 -194.11116 5.76402 2.22234 -194.73919 582.94575
5225.0000 -201.21940 -195.08050 6.13890 2.19096 -195.32192 558.58512
5230.0000 -201.40686 -195.56245 5.84441 2.19339 -195.27669 573.63304
5235.0000 -201.93316 -196.65765 5.27551 2.14461 -196.18232 561.14995
5240.0000 -201.55401 -195.31747 6.23654 2.17399 -195.63684 572.81433
5245.0000 -200.02397 -194.42848 5.59549 2.21059 -194.95747 582.12551
5250.0000 -200.98995 -194.73861 6.25134 2.22332 -194.72101 590.18078
FREEZING PROCESS: loop number 22 T-loop= 562.00000000000000
main_MD> interactions number 22 at Temperature= 562.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17402 -5.14410 -1.65393
force_rgl> df(natom) -1.09662 -0.58818 2.48783
5255.0000 -200.52679 -194.91875 5.60804 2.22344 -194.71886 613.14905
5260.0000 -201.79763 -195.75856 6.03907 2.17754 -195.57107 559.87479
5265.0000 -202.11459 -196.80336 5.31124 2.13412 -196.37722 532.24123
5270.0000 -200.74328 -195.37078 5.37251 2.14756 -196.12759 510.92624
5275.0000 -201.31198 -196.29835 5.01363 2.18577 -195.41816 558.99574
5280.0000 -201.51921 -196.27220 5.24701 2.14716 -196.13513 510.61940
5285.0000 -200.89595 -195.02748 5.86846 2.16657 -195.77469 526.31851
5290.0000 -201.35961 -196.24212 5.11748 2.17485 -195.62101 546.73452
5295.0000 -200.78921 -195.25945 5.52976 2.19143 -195.31309 549.82124
5300.0000 -200.63957 -194.22091 6.41866 2.22084 -194.76708 580.54299
5305.0000 -201.81205 -195.00906 6.80299 2.26663 -193.91697 624.70651
5310.0000 -200.97847 -195.41729 5.56119 2.18803 -195.37625 553.60598
5315.0000 -201.18296 -195.35885 5.82410 2.16024 -195.89223 539.16486
5320.0000 -201.86644 -196.29579 5.57065 2.13803 -196.30460 559.63548
5325.0000 -201.60984 -196.27994 5.32990 2.14888 -196.10319 545.82161
5330.0000 -201.45540 -195.20259 6.25281 2.16795 -195.74907 554.48215
5335.0000 -201.15183 -194.64855 6.50328 2.19941 -195.16496 584.92590
5340.0000 -201.34467 -194.97482 6.36985 2.19486 -195.24952 577.98416
5345.0000 -201.88823 -195.34067 6.54755 2.18323 -195.46536 572.06231
5350.0000 -200.83652 -194.26221 6.57431 2.23251 -194.55041 606.25669
5355.0000 -202.06869 -196.96234 5.10635 2.15395 -196.00905 560.53311
5360.0000 -201.66588 -195.83689 5.82899 2.14429 -196.18833 566.57442
5365.0000 -201.76575 -195.18940 6.57635 2.18651 -195.40445 588.61567
5370.0000 -200.40184 -195.71646 4.68538 2.19225 -195.29796 569.63598
5375.0000 -201.34151 -195.16750 6.17402 2.15931 -195.90956 524.05668
5380.0000 -200.52888 -194.78935 5.73953 2.22130 -194.75864 578.59915
5385.0000 -201.46997 -195.95483 5.51514 2.19492 -195.24830 557.69857
5390.0000 -201.73250 -196.07857 5.65393 2.16152 -195.86837 533.54965
5395.0000 -201.20020 -195.26859 5.93160 2.19079 -195.32505 539.69095
5400.0000 -200.10819 -194.24341 5.86478 2.23017 -194.59388 568.59168
5405.0000 -199.69249 -193.32314 6.36935 2.30545 -193.19618 607.10028
5410.0000 -199.87293 -194.08804 5.78488 2.25104 -194.20632 588.97947
5415.0000 -199.99857 -193.74558 6.25299 2.25032 -194.21973 611.77376
5420.0000 -201.01776 -194.59005 6.42771 2.27749 -193.71522 608.40636
5425.0000 -200.56357 -195.19838 5.36519 2.18885 -195.36110 554.96426
5430.0000 -202.13808 -196.30959 5.82850 2.16524 -195.79942 549.36086
5435.0000 -202.46551 -195.89309 6.57241 2.13780 -196.30890 551.89088
5440.0000 -202.19816 -196.07868 6.11949 2.13667 -196.32987 549.84168
5445.0000 -201.25447 -195.93310 5.32137 2.15618 -195.96758 565.45588
5450.0000 -202.26298 -196.55125 5.71173 2.16417 -195.81932 590.26349
5455.0000 -202.34145 -196.55407 5.78738 2.12317 -196.58046 538.00875
5460.0000 -202.63705 -196.56412 6.07294 2.09657 -197.07435 538.54936
5465.0000 -202.55893 -196.14145 6.41747 2.15940 -195.90782 583.93818
5470.0000 -201.68321 -195.67303 6.01019 2.14964 -196.08896 551.18302
5475.0000 -201.71657 -195.32538 6.39119 2.18364 -195.45770 581.26768
5480.0000 -201.16372 -194.88604 6.27768 2.18806 -195.37566 582.47403
5485.0000 -201.47960 -195.60021 5.87939 2.19532 -195.24083 563.38772
5490.0000 -200.21964 -194.99423 5.22541 2.19273 -195.28907 567.70732
5495.0000 -199.86179 -193.26905 6.59274 2.27624 -193.73861 625.64011
5500.0000 -200.38353 -194.58817 5.79536 2.24386 -194.33973 582.27496
FREEZING PROCESS: loop number 23 T-loop= 537.00000000000000
main_MD> interactions number 23 at Temperature= 537.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.06850 0.62660 -0.52323
force_rgl> df(natom) -4.65906 -0.65495 -2.54649
5505.0000 -200.93771 -195.02809 5.90962 2.24527 -194.31358 572.31030
5510.0000 -201.88913 -196.22574 5.66338 2.20456 -195.06935 560.84064
5515.0000 -202.00589 -196.42132 5.58457 2.13915 -196.28371 539.74731
5520.0000 -203.02972 -196.86549 6.16423 2.08515 -197.28636 518.79921
5525.0000 -202.35516 -197.48351 4.87165 2.08306 -197.32522 521.02518
5530.0000 -202.11429 -197.28661 4.82769 2.05853 -197.78053 500.88732
5535.0000 -201.97751 -197.26820 4.70931 2.09867 -197.03538 507.66616
5540.0000 -202.60389 -197.47399 5.12990 2.10251 -196.96399 505.57841
5545.0000 -201.62931 -196.02022 5.60909 2.12245 -196.59379 524.86872
5550.0000 -201.01011 -195.07568 5.93443 2.20540 -195.05367 561.11338
5555.0000 -200.97757 -195.30480 5.67277 2.20122 -195.13129 548.65513
5560.0000 -200.50475 -195.50843 4.99632 2.19656 -195.21780 545.68542
5565.0000 -201.13555 -195.92867 5.20688 2.16038 -195.88965 531.80377
5570.0000 -199.84261 -193.64950 6.19312 2.21943 -194.79324 563.43710
5575.0000 -201.85615 -195.09012 6.76602 2.24098 -194.39313 590.26816
5580.0000 -200.63241 -195.33818 5.29423 2.16429 -195.81701 547.73493
5585.0000 -201.25327 -195.24053 6.01274 2.18908 -195.35678 548.65484
5590.0000 -201.61525 -195.52363 6.09163 2.17499 -195.61832 549.13097
5595.0000 -201.37891 -195.76683 5.61208 2.19075 -195.32579 564.28819
5600.0000 -201.34803 -195.64126 5.70677 2.15571 -195.97634 502.41096
5605.0000 -200.80045 -195.02645 5.77401 2.19841 -195.18356 547.07515
5610.0000 -200.93169 -194.96717 5.96451 2.21421 -194.89019 557.50226
5615.0000 -201.49957 -196.05180 5.44777 2.15227 -196.04025 527.80603
5620.0000 -201.37043 -195.32523 6.04520 2.18753 -195.38557 553.70219
5625.0000 -200.46046 -195.38691 5.07355 2.21186 -194.93377 585.82848
5630.0000 -200.89460 -195.37842 5.51619 2.19364 -195.27206 557.80956
5635.0000 -201.32568 -195.99760 5.32808 2.20002 -195.15360 566.30613
5640.0000 -200.90208 -194.34738 6.55470 2.20113 -195.13297 563.95145
5645.0000 -200.33931 -194.85994 5.47936 2.24246 -194.36572 590.64248
5650.0000 -201.75720 -196.41371 5.34349 2.19331 -195.27824 575.58162
5655.0000 -202.17779 -196.58517 5.59262 2.08927 -197.20980 496.99884
5660.0000 -201.10804 -196.23400 4.87404 2.16538 -195.79674 540.56443
5665.0000 -202.44289 -196.26413 6.17876 2.13690 -196.32549 525.39077
5670.0000 -202.05258 -196.00823 6.04435 2.12206 -196.60110 542.22595
5675.0000 -202.48774 -196.48508 6.00266 2.13978 -196.27215 571.18834
5680.0000 -202.67947 -196.86556 5.81391 2.09112 -197.17553 520.57660
5685.0000 -203.08521 -198.37498 4.71023 2.05419 -197.86115 500.11745
5690.0000 -202.12927 -197.48551 4.64376 2.05215 -197.89908 508.45777
5695.0000 -201.96200 -197.39819 4.56382 2.08494 -197.29024 525.45476
5700.0000 -201.69048 -196.67214 5.01834 2.11614 -196.71098 540.66693
5705.0000 -203.13827 -197.42698 5.71129 2.11177 -196.79210 545.67932
5710.0000 -201.17658 -196.31641 4.86017 2.10255 -196.96330 530.20112
5715.0000 -202.33356 -197.55701 4.77655 2.10034 -197.00437 527.16166
5720.0000 -202.60218 -196.89260 5.70958 2.06215 -197.71340 511.66076
5725.0000 -202.24350 -196.65068 5.59282 2.10286 -196.95757 534.28925
5730.0000 -202.93154 -197.09709 5.83446 2.11628 -196.70834 544.51946
5735.0000 -201.87894 -196.15148 5.72746 2.16726 -195.76185 579.71174
5740.0000 -201.90310 -196.40515 5.49795 2.15610 -195.96912 558.47999
5745.0000 -203.05793 -197.37052 5.68741 2.08662 -197.25907 511.41503
5750.0000 -201.87466 -196.28263 5.59203 2.10732 -196.87479 519.59401
FREEZING PROCESS: loop number 24 T-loop= 512.00000000000000
main_MD> interactions number 24 at Temperature= 512.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.09057 0.62045 0.21218
force_rgl> df(natom) 0.03238 -2.65263 0.01689
5755.0000 -202.41959 -196.83182 5.58778 2.10877 -196.84790 512.25985
5760.0000 -201.98722 -196.43429 5.55293 2.11574 -196.71841 510.32916
5765.0000 -201.70489 -196.57595 5.12894 2.13234 -196.41022 542.41473
5770.0000 -201.99919 -196.63740 5.36179 2.14094 -196.25051 544.40683
5775.0000 -201.87223 -196.59993 5.27230 2.11979 -196.64319 523.24305
5780.0000 -201.98757 -196.99096 4.99660 2.10760 -196.86955 515.50778
5785.0000 -202.49601 -196.97835 5.51766 2.09437 -197.11523 506.98887
5790.0000 -201.55403 -196.94007 4.61395 2.09554 -197.09338 502.47446
5795.0000 -202.32789 -197.01181 5.31607 2.13751 -196.31414 522.50962
5800.0000 -201.85518 -196.60434 5.25083 2.11364 -196.75736 519.76016
5805.0000 -202.34848 -196.99949 5.34900 2.09936 -197.02251 510.07153
5810.0000 -202.23936 -196.67787 5.56149 2.10160 -196.98090 485.90984
5815.0000 -202.56994 -197.24374 5.32620 2.10487 -196.92016 493.90926
5820.0000 -201.61819 -196.53582 5.08237 2.10280 -196.95870 499.77028
5825.0000 -201.38172 -195.42726 5.95446 2.15712 -195.95014 543.66028
5830.0000 -200.63448 -195.69984 4.93464 2.15165 -196.05169 546.59869
5835.0000 -202.49827 -197.87311 4.62516 2.12215 -196.59943 506.51970
5840.0000 -203.66154 -198.67756 4.98398 1.99820 -198.90062 454.78667
5845.0000 -204.26096 -199.39768 4.86328 1.98980 -199.05660 464.61230
5850.0000 -202.68364 -198.18272 4.50092 1.99546 -198.95164 454.85649
5855.0000 -203.07191 -198.24707 4.82484 2.01462 -198.59583 453.50513
5860.0000 -202.64837 -198.12287 4.52549 2.02125 -198.47280 469.46044
5865.0000 -202.51497 -197.07143 5.44354 2.07907 -197.39931 518.78289
5870.0000 -201.39882 -197.09284 4.30598 2.09535 -197.09703 513.71210
5875.0000 -201.76035 -196.86561 4.89474 2.10312 -196.95270 500.46271
5880.0000 -201.60669 -196.42216 5.18452 2.11668 -196.70101 497.05784
5885.0000 -201.88028 -197.07675 4.80353 2.13249 -196.40742 501.73208
5890.0000 -202.07618 -196.70359 5.37259 2.09236 -197.15249 472.34477
5895.0000 -200.82079 -194.52483 6.29596 2.15043 -196.07429 526.10416
5900.0000 -201.18742 -195.78175 5.40568 2.19547 -195.23807 549.29489
5905.0000 -202.41624 -196.48353 5.93272 2.12851 -196.48134 504.10686
5910.0000 -201.79242 -197.01806 4.77436 2.10921 -196.83962 498.74355
5915.0000 -201.72877 -196.49969 5.22908 2.13089 -196.43711 528.04174
5920.0000 -202.96803 -198.11490 4.85313 2.07757 -197.42709 521.98935
5925.0000 -203.13641 -198.04192 5.09449 2.02034 -198.48958 479.70074
5930.0000 -202.81147 -197.22463 5.58684 2.05899 -197.77205 502.00309
5935.0000 -203.63309 -198.97929 4.65379 2.06974 -197.57246 513.73070
5940.0000 -203.50115 -198.24171 5.25944 1.99780 -198.90819 457.17440
5945.0000 -204.04261 -199.14374 4.89887 1.99899 -198.88600 458.30804
5950.0000 -202.58693 -197.79901 4.78793 2.03036 -198.30366 472.64770
5955.0000 -201.93102 -196.65375 5.27727 2.10661 -196.88800 524.71899
5960.0000 -202.44127 -196.35893 6.08234 2.10424 -196.93193 519.75448
5965.0000 -203.36627 -199.19564 4.17063 2.04620 -198.00950 475.41327
5970.0000 -203.27521 -198.10480 5.17040 1.99736 -198.91622 440.71671
5975.0000 -202.33925 -197.15290 5.18635 2.07045 -197.55930 503.37025
5980.0000 -202.52677 -197.28489 5.24188 2.07058 -197.55680 506.61618
5985.0000 -202.79564 -197.32127 5.47437 2.09519 -197.10001 517.45241
5990.0000 -202.15569 -197.36179 4.79390 2.04964 -197.94563 489.58163
5995.0000 -203.10187 -197.54347 5.55840 2.04550 -198.02247 484.17334
6000.0000 -202.31048 -196.76848 5.54200 2.08665 -197.25845 514.95423
FREEZING PROCESS: loop number 25 T-loop= 487.00000000000000
main_MD> interactions number 25 at Temperature= 487.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68896 0.67217 0.87294
force_rgl> df(natom) 0.43625 -1.17891 -1.12468
6005.0000 -202.20134 -196.47728 5.72406 2.11185 -196.79061 534.70064
6010.0000 -203.26020 -197.44235 5.81785 2.10048 -197.00165 508.25231
6015.0000 -203.75957 -198.15788 5.60170 2.02855 -198.33730 462.21740
6020.0000 -202.74861 -197.28930 5.45931 2.06121 -197.73083 488.44055
6025.0000 -202.25252 -197.54891 4.70361 2.07118 -197.54571 493.44724
6030.0000 -202.40517 -196.88695 5.51822 2.11650 -196.70422 529.80514
6035.0000 -201.29738 -196.50799 4.78939 2.14726 -196.13324 558.19078
6040.0000 -201.65656 -196.68261 4.97395 2.12430 -196.55954 518.01668
6045.0000 -201.55019 -196.38682 5.16337 2.09565 -197.09148 502.12719
6050.0000 -202.45868 -196.99644 5.46224 2.14393 -196.19495 546.12923
6055.0000 -202.55795 -197.59137 4.96658 2.08936 -197.20816 512.77696
6060.0000 -202.55806 -198.10677 4.45128 2.01843 -198.52503 464.84133
6065.0000 -202.80668 -197.57553 5.23115 2.03518 -198.21404 474.17861
6070.0000 -202.55637 -197.52971 5.02666 2.09061 -197.18501 515.88332
6075.0000 -203.25256 -198.47375 4.77881 2.02756 -198.35562 465.60894
6080.0000 -202.55847 -197.73206 4.82642 2.03862 -198.15027 471.36830
6085.0000 -202.68643 -197.13071 5.55572 2.06532 -197.65455 492.05343
6090.0000 -203.47824 -198.55277 4.92546 2.03615 -198.19609 486.91705
6095.0000 -201.51136 -196.20406 5.30730 2.08173 -197.34989 504.27529
6100.0000 -202.24801 -196.53840 5.70961 2.12358 -196.57293 546.71662
6105.0000 -203.33477 -197.98260 5.35217 2.05607 -197.82630 488.01578
6110.0000 -203.14634 -198.67035 4.47599 2.04075 -198.11071 481.87132
6115.0000 -203.72241 -198.95318 4.76924 2.00999 -198.68180 462.57610
6120.0000 -202.07745 -197.36643 4.71103 2.04765 -197.98253 491.49785
6125.0000 -202.24844 -197.29734 4.95110 2.06386 -197.68169 491.43567
6130.0000 -203.01417 -197.88299 5.13118 2.06006 -197.75224 478.69311
6135.0000 -202.19001 -197.88250 4.30751 2.04031 -198.11883 455.47180
6140.0000 -202.61215 -197.44924 5.16291 2.05732 -197.80312 462.33465
6145.0000 -202.49688 -197.55720 4.93968 2.09790 -197.04956 481.61400
6150.0000 -203.09256 -197.40716 5.68540 2.07222 -197.52636 488.47782
6155.0000 -201.89464 -197.22980 4.66484 2.09329 -197.13525 496.05463
6160.0000 -202.57258 -197.55829 5.01430 2.08877 -197.21923 494.59161
6165.0000 -202.64592 -198.07643 4.56949 2.03033 -198.30420 470.81493
6170.0000 -203.45462 -197.37913 6.07548 2.05484 -197.84911 501.91198
6175.0000 -201.99030 -196.80090 5.18940 2.09573 -197.08992 532.45537
6180.0000 -203.97472 -197.94641 6.02832 2.06075 -197.73940 505.01417
6185.0000 -203.09297 -197.70438 5.38860 2.04547 -198.02312 502.26297
6190.0000 -202.12819 -196.42900 5.69920 2.07107 -197.54778 515.41463
6195.0000 -203.14521 -197.22308 5.92213 2.10080 -196.99586 523.13749
6200.0000 -203.68153 -198.07305 5.60848 2.03948 -198.13430 483.98313
6205.0000 -202.52852 -196.79195 5.73656 2.07306 -197.51083 501.63811
6210.0000 -202.86472 -197.81645 5.04827 2.09733 -197.06030 535.35640
6215.0000 -203.35669 -198.18460 5.17208 2.05668 -197.81489 494.84356
6220.0000 -202.74112 -198.18362 4.55750 2.02723 -198.36175 469.85379
6225.0000 -203.29200 -198.37421 4.91779 2.03061 -198.29907 480.02528
6230.0000 -203.80203 -199.79373 4.00830 1.98103 -199.21946 440.74534
6235.0000 -204.22492 -199.81155 4.41337 1.96094 -199.59253 423.69764
6240.0000 -203.34709 -199.02502 4.32207 1.97168 -199.39314 448.97740
6245.0000 -203.74632 -198.96158 4.78474 2.02528 -198.39801 484.98820
6250.0000 -203.08854 -197.73971 5.34884 1.99306 -198.99609 456.76271
FREEZING PROCESS: loop number 26 T-loop= 462.00000000000000
main_MD> interactions number 26 at Temperature= 462.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30937 2.34348 4.37060
force_rgl> df(natom) 0.89194 1.95444 1.19536
6255.0000 -203.11289 -198.61035 4.50254 2.03096 -198.29242 477.54581
6260.0000 -203.55442 -199.15539 4.39903 2.00812 -198.71644 455.53698
6265.0000 -203.12461 -198.64349 4.48112 2.01375 -198.61198 464.62786
6270.0000 -203.76700 -198.29842 5.46858 2.03928 -198.13800 491.33628
6275.0000 -203.47606 -198.10464 5.37142 2.02862 -198.33601 480.57943
6280.0000 -203.39292 -198.23055 5.16237 2.03341 -198.24691 477.87941
6285.0000 -203.90408 -199.50662 4.39746 1.99950 -198.87664 456.77621
6290.0000 -203.47798 -198.15521 5.32277 2.02064 -198.48403 463.08071
6295.0000 -202.84476 -198.25362 4.59113 1.99825 -198.89973 458.97531
6300.0000 -204.06420 -198.71426 5.34994 2.04553 -198.02193 494.64211
6305.0000 -202.75462 -197.77670 4.97793 2.02442 -198.41396 472.62240
6310.0000 -202.74650 -198.13909 4.60741 2.01620 -198.56644 470.33995
6315.0000 -202.53588 -197.42911 5.10677 2.06435 -197.67249 494.50330
6320.0000 -203.67470 -197.84092 5.83378 2.06316 -197.69473 501.64258
6325.0000 -203.75351 -199.37473 4.37878 2.02599 -198.38471 471.02301
6330.0000 -202.66428 -197.87969 4.78459 2.00525 -198.76973 444.98246
6335.0000 -202.71175 -198.81588 3.89587 2.02410 -198.41982 452.84673
6340.0000 -203.48666 -198.51211 4.97455 2.01834 -198.52674 439.50983
6345.0000 -203.54772 -199.24694 4.30078 1.99802 -198.90404 462.05242
6350.0000 -202.83762 -198.48180 4.35582 2.01706 -198.55054 464.73486
6355.0000 -203.44511 -198.47539 4.96972 2.01873 -198.51947 481.65033
6360.0000 -203.47374 -198.08965 5.38409 2.03137 -198.28493 487.47523
6365.0000 -202.92795 -197.50190 5.42605 2.05735 -197.80256 500.27367
6370.0000 -202.91695 -198.08375 4.83321 2.05658 -197.81677 513.89635
6375.0000 -202.81121 -197.73890 5.07231 2.05896 -197.77265 483.91107
6380.0000 -201.58478 -197.71185 3.87292 2.05492 -197.84771 471.91626
6385.0000 -202.97561 -197.47072 5.50488 2.05487 -197.84861 461.76502
6390.0000 -202.10219 -197.49786 4.60434 2.07731 -197.43186 492.92717
6395.0000 -203.15281 -198.39270 4.76011 2.05610 -197.82563 483.00820
6400.0000 -203.31589 -198.68460 4.63129 2.01942 -198.50676 463.00274
6405.0000 -203.36489 -198.95021 4.41468 2.00607 -198.75458 433.96571
6410.0000 -202.01560 -197.97326 4.04235 2.01027 -198.67653 440.40108
6415.0000 -203.68141 -198.46907 5.21234 2.02383 -198.42479 446.63102
6420.0000 -202.97865 -198.48838 4.49027 2.01244 -198.63637 444.00349
6425.0000 -203.74237 -198.61224 5.13014 2.01261 -198.63308 465.62628
6430.0000 -203.78228 -199.41203 4.37026 1.98097 -199.22064 448.04652
6435.0000 -203.80839 -198.54081 5.26758 1.99574 -198.94644 453.84800
6440.0000 -203.48810 -198.93335 4.55475 2.00265 -198.81810 470.55747
6445.0000 -204.40364 -199.50826 4.89538 1.96921 -199.43897 447.01026
6450.0000 -203.36151 -198.31193 5.04958 1.99823 -198.90013 464.19598
6455.0000 -203.80936 -197.88842 5.92094 2.03438 -198.22898 495.33093
6460.0000 -203.70568 -198.27887 5.42681 2.01988 -198.49826 469.90946
6465.0000 -203.02616 -198.78558 4.24058 2.00237 -198.82323 463.41784
6470.0000 -203.95065 -198.97431 4.97634 1.98507 -199.14443 451.38812
6475.0000 -203.67665 -198.75344 4.92321 1.99723 -198.91879 444.44088
6480.0000 -203.76352 -199.28125 4.48227 1.99302 -198.99692 448.73754
6485.0000 -203.39322 -198.66636 4.72687 1.98391 -199.16595 443.85637
6490.0000 -203.93078 -198.93879 4.99200 2.00656 -198.74543 455.55000
6495.0000 -203.25564 -198.95848 4.29716 2.01248 -198.63553 470.31154
6500.0000 -204.12518 -199.10409 5.02109 2.01757 -198.54114 470.14919
FREEZING PROCESS: loop number 27 T-loop= 437.00000000000000
main_MD> interactions number 27 at Temperature= 437.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.97872 1.16035 2.83865
force_rgl> df(natom) -1.14743 1.05218 0.59438
6505.0000 -203.83663 -199.07050 4.76614 1.99973 -198.87232 440.70661
6510.0000 -203.84558 -199.16653 4.67904 1.97053 -199.41442 427.12560
6515.0000 -204.53178 -199.56441 4.96737 1.97636 -199.30628 445.67715
6520.0000 -204.49278 -200.19792 4.29486 1.95755 -199.65537 425.15391
6525.0000 -203.95371 -199.27834 4.67537 1.95212 -199.75624 418.80313
6530.0000 -203.44242 -198.94429 4.49814 1.98991 -199.05466 451.14149
6535.0000 -203.98142 -199.01075 4.97067 1.98965 -199.05942 445.25172
6540.0000 -204.18085 -198.89998 5.28086 2.00886 -198.70274 468.61229
6545.0000 -203.32125 -199.28490 4.03635 1.98047 -199.22995 452.82496
6550.0000 -204.61416 -199.56279 5.05138 1.94752 -199.84165 434.39784
6555.0000 -204.05509 -200.00439 4.05070 1.96677 -199.48419 430.83882
6560.0000 -203.72706 -198.83448 4.89258 1.98263 -199.18985 446.24221
6565.0000 -204.02141 -198.78103 5.24038 1.98070 -199.22567 456.32570
6570.0000 -203.69237 -198.62140 5.07097 2.00099 -198.84893 468.51795
6575.0000 -203.56771 -199.24918 4.31854 1.98315 -199.18008 460.59839
6580.0000 -203.98166 -199.31899 4.66267 1.97787 -199.27814 453.71434
6585.0000 -204.01781 -199.66770 4.35011 1.96277 -199.55852 444.34432
6590.0000 -204.31382 -199.27502 5.03880 1.95687 -199.66808 438.08926
6595.0000 -204.64369 -200.11306 4.53062 1.94774 -199.83763 430.08669
6600.0000 -204.06409 -199.07421 4.98988 1.95194 -199.75955 427.33970
6605.0000 -203.82907 -199.59856 4.23051 1.98142 -199.21221 457.68314
6610.0000 -204.23717 -200.15936 4.07781 1.92160 -200.32292 413.47739
6615.0000 -204.70917 -200.37924 4.32994 1.91857 -200.37915 413.78914
6620.0000 -204.28090 -200.12670 4.15420 1.93168 -200.13580 415.23510
6625.0000 -204.34499 -199.88341 4.46159 1.94532 -199.88255 421.93163
6630.0000 -204.69612 -200.19019 4.50594 1.91521 -200.44152 406.04974
6635.0000 -204.49233 -199.88703 4.60530 1.91885 -200.37399 394.81796
6640.0000 -203.10713 -199.33044 3.77669 1.94735 -199.84487 414.73906
6645.0000 -203.32832 -199.49244 3.83588 1.96447 -199.52700 438.59997
6650.0000 -203.90833 -200.05559 3.85274 1.94972 -199.80082 422.28497
6655.0000 -204.18173 -200.74161 3.44012 1.91590 -200.42864 400.59589
6660.0000 -203.92924 -199.88107 4.04817 1.90580 -200.61620 384.52061
6665.0000 -203.32128 -198.33678 4.98450 1.97611 -199.31093 450.70222
6670.0000 -203.36110 -198.40658 4.95452 1.99833 -198.89836 455.69244
6675.0000 -204.25843 -198.28613 5.97231 2.03069 -198.29750 482.95838
6680.0000 -203.56978 -198.93953 4.63025 2.00949 -198.69106 476.19082
6685.0000 -204.29845 -200.36429 3.93416 1.96984 -199.42728 431.34613
6690.0000 -204.18371 -199.59584 4.58787 1.92133 -200.32790 392.57375
6695.0000 -205.05996 -200.76393 4.29603 1.94905 -199.81319 417.99582
6700.0000 -204.79506 -200.92730 3.86776 1.88304 -201.03886 368.40648
6705.0000 -204.77619 -200.10795 4.66824 1.91398 -200.46432 395.75352
6710.0000 -204.17105 -199.56300 4.60805 1.98776 -199.09459 450.90432
6715.0000 -204.25673 -199.34373 4.91299 1.96805 -199.46055 439.97556
6720.0000 -203.88088 -199.14326 4.73763 1.96168 -199.57882 434.24728
6725.0000 -203.22932 -198.40088 4.82845 2.01603 -198.56966 482.85366
6730.0000 -204.17700 -199.25487 4.92213 2.01622 -198.56621 479.42859
6735.0000 -203.80599 -199.74844 4.05756 1.97875 -199.26187 446.91617
6740.0000 -203.35488 -198.73366 4.62122 1.97176 -199.39166 441.73634
6745.0000 -204.12692 -199.16265 4.96427 1.98471 -199.15109 455.86219
6750.0000 -204.78041 -199.09130 5.68911 2.00021 -198.86340 463.72858
FREEZING PROCESS: loop number 28 T-loop= 412.00000000000000
main_MD> interactions number 28 at Temperature= 412.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92688 1.39696 1.75199
force_rgl> df(natom) -1.53881 -1.94099 -1.59816
6755.0000 -204.59250 -199.84784 4.74465 1.99132 -199.02838 459.09287
6760.0000 -204.83770 -200.36382 4.47388 1.93932 -199.99383 415.08000
6765.0000 -204.59811 -200.51841 4.07970 1.93614 -200.05301 414.59250
6770.0000 -203.91097 -199.54707 4.36390 1.93864 -200.00646 414.94272
6775.0000 -203.82869 -199.34356 4.48513 1.95942 -199.62067 435.43207
6780.0000 -205.01831 -200.37606 4.64225 1.94399 -199.90722 433.54363
6785.0000 -204.81837 -200.62630 4.19207 1.91683 -200.41146 395.63053
6790.0000 -204.34580 -200.42116 3.92464 1.90556 -200.62073 390.05223
6795.0000 -204.12013 -199.44664 4.67349 1.93181 -200.13333 412.06437
6800.0000 -203.33108 -199.53191 3.79917 1.95791 -199.64868 427.11075
6805.0000 -204.74596 -200.69879 4.04717 1.92303 -200.29632 405.86947
6810.0000 -204.47500 -200.22984 4.24516 1.90944 -200.54863 403.33123
6815.0000 -204.32311 -200.33677 3.98634 1.91829 -200.38435 411.38049
6820.0000 -204.54021 -200.85793 3.68228 1.89100 -200.89097 390.47681
6825.0000 -205.20976 -201.60687 3.60289 1.87758 -201.14016 375.26614
6830.0000 -204.57619 -200.24114 4.33505 1.90119 -200.70190 399.06800
6835.0000 -204.80566 -200.80053 4.00513 1.90711 -200.59183 404.29847
6840.0000 -204.70895 -200.84675 3.86220 1.88290 -201.04134 385.53757
6845.0000 -204.49992 -199.97288 4.52703 1.89753 -200.76976 398.20512
6850.0000 -204.96373 -200.34823 4.61550 1.94480 -199.89207 421.08568
6855.0000 -204.53452 -200.17029 4.36424 1.94823 -199.82840 427.14392
6860.0000 -204.00788 -199.46815 4.53973 1.93762 -200.02547 418.70271
6865.0000 -204.81735 -200.34110 4.47624 1.93601 -200.05528 414.46599
6870.0000 -204.56367 -200.15808 4.40558 1.90759 -200.58300 395.96085
6875.0000 -204.42886 -200.31458 4.11428 1.91335 -200.47605 394.30302
6880.0000 -204.19022 -199.32079 4.86943 1.95053 -199.78573 435.98455
6885.0000 -204.71860 -200.59509 4.12352 1.93825 -200.01383 418.69984
6890.0000 -204.96253 -200.61085 4.35167 1.89394 -200.83647 382.66725
6895.0000 -204.42415 -199.60933 4.81482 1.92905 -200.18458 403.84545
6900.0000 -204.99878 -200.12376 4.87502 1.92945 -200.17724 408.43426
6905.0000 -204.00499 -200.25650 3.74850 1.93800 -200.01843 418.01023
6910.0000 -204.91629 -200.66429 4.25201 1.90932 -200.55093 392.53966
6915.0000 -204.16311 -200.12153 4.04158 1.91689 -200.41037 399.62065
6920.0000 -204.79898 -200.98918 3.80980 1.89915 -200.73971 384.53430
6925.0000 -204.14147 -200.23340 3.90808 1.91280 -200.48625 402.05060
6930.0000 -203.98166 -199.40455 4.57711 1.96711 -199.47792 436.96120
6935.0000 -204.60265 -200.14203 4.46062 1.90784 -200.57830 399.21637
6940.0000 -203.81831 -200.10908 3.70922 1.94444 -199.89875 428.40386
6945.0000 -204.07923 -199.84458 4.23465 1.92255 -200.30521 408.27143
6950.0000 -204.19125 -200.05277 4.13848 1.94839 -199.82558 432.76655
6955.0000 -205.30832 -200.38105 4.92726 1.91780 -200.39348 409.21872
6960.0000 -204.57725 -200.07911 4.49814 1.91706 -200.40712 403.62466
6965.0000 -203.58251 -199.18878 4.39373 1.94236 -199.93737 418.21971
6970.0000 -204.21673 -200.12382 4.09291 1.92354 -200.28681 412.23334
6975.0000 -204.50041 -200.24555 4.25486 1.93207 -200.12844 415.92889
6980.0000 -205.20350 -201.40877 3.79473 1.89400 -200.83534 382.87191
6985.0000 -204.70523 -200.68506 4.02017 1.88176 -201.06249 376.40751
6990.0000 -204.23656 -200.06667 4.16989 1.91956 -200.36069 401.53921
6995.0000 -204.20125 -199.42415 4.77710 1.96437 -199.52874 445.79700
7000.0000 -204.28808 -200.26336 4.02472 1.96108 -199.58990 438.15823
FREEZING PROCESS: loop number 29 T-loop= 387.00000000000000
main_MD> interactions number 29 at Temperature= 387.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51142 0.19669 -2.06933
force_rgl> df(natom) 2.55851 1.68382 5.08846
7005.0000 -204.27367 -201.17301 3.10067 1.88523 -200.99811 381.76963
7010.0000 -205.16852 -200.83555 4.33297 1.89737 -200.77275 399.67813
7015.0000 -205.73191 -201.21705 4.51486 1.87035 -201.27444 373.44681
7020.0000 -205.18739 -201.03832 4.14907 1.87838 -201.12528 382.56380
7025.0000 -204.63845 -200.62104 4.01741 1.90279 -200.67213 400.84791
7030.0000 -205.34384 -201.00408 4.33976 1.89826 -200.75631 393.14915
7035.0000 -204.99676 -200.97276 4.02400 1.89216 -200.86942 395.32682
7040.0000 -204.49398 -200.52140 3.97258 1.86924 -201.29501 374.53059
7045.0000 -204.86024 -200.26972 4.59051 1.92555 -200.24961 414.29056
7050.0000 -204.47037 -200.33919 4.13118 1.90877 -200.56118 394.86683
7055.0000 -205.06976 -200.95406 4.11569 1.90357 -200.65770 387.99792
7060.0000 -205.26586 -200.96155 4.30432 1.88531 -200.99668 371.24867
7065.0000 -204.90445 -200.54925 4.35521 1.90797 -200.57595 393.26400
7070.0000 -204.85221 -200.56125 4.29096 1.91341 -200.47501 398.82166
7075.0000 -204.68013 -201.14138 3.53875 1.89277 -200.85823 367.85290
7080.0000 -204.45029 -200.45168 3.99861 1.89758 -200.76890 376.35508
7085.0000 -204.88517 -200.48477 4.40040 1.90707 -200.59270 390.02090
7090.0000 -205.16665 -201.16811 3.99854 1.89659 -200.78714 382.92964
7095.0000 -204.63114 -200.77794 3.85320 1.87933 -201.10764 371.19055
7100.0000 -204.67057 -200.76258 3.90799 1.89751 -200.77008 382.28854
7105.0000 -205.52031 -201.60733 3.91298 1.87251 -201.23429 364.06389
7110.0000 -204.13490 -200.37271 3.76218 1.88574 -200.98876 369.14711
7115.0000 -204.80605 -200.77352 4.03253 1.90724 -200.58945 386.50736
7120.0000 -205.19980 -201.27665 3.92315 1.87957 -201.10331 367.22974
7125.0000 -205.26790 -201.47727 3.79063 1.88485 -201.00528 375.67445
7130.0000 -205.15812 -201.39256 3.76557 1.88655 -200.97370 368.28434
7135.0000 -205.26030 -201.35145 3.90884 1.87799 -201.13257 376.71340
7140.0000 -204.87085 -201.00477 3.86608 1.89811 -200.75899 396.69165
7145.0000 -204.96513 -200.69214 4.27299 1.90589 -200.61455 402.39309
7150.0000 -205.37699 -201.32616 4.05084 1.88517 -200.99935 383.18694
7155.0000 -204.79104 -200.67238 4.11866 1.89765 -200.76754 394.73727
7160.0000 -205.30725 -200.89619 4.41106 1.89938 -200.73537 393.24452
7165.0000 -204.78540 -201.39549 3.38990 1.90132 -200.69939 393.88488
7170.0000 -204.34254 -200.08294 4.25960 1.90330 -200.66270 391.32600
7175.0000 -204.79309 -200.64145 4.15165 1.92151 -200.32456 412.36466
7180.0000 -204.59816 -200.50217 4.09599 1.90907 -200.55549 404.37018
7185.0000 -204.23977 -200.60205 3.63772 1.91003 -200.53763 405.36663
7190.0000 -204.34719 -200.43732 3.90987 1.92708 -200.22117 406.38641
7195.0000 -205.49801 -201.59296 3.90505 1.88882 -200.93149 382.91486
7200.0000 -204.81356 -201.02609 3.78747 1.87344 -201.21712 367.12216
7205.0000 -204.89706 -201.05166 3.84539 1.88997 -200.91007 382.93283
7210.0000 -205.29119 -201.10229 4.18890 1.85898 -201.48552 360.28000
7215.0000 -205.16018 -201.00360 4.15658 1.88689 -200.96734 384.31872
7220.0000 -205.02936 -201.06237 3.96699 1.89375 -200.83992 387.67869
7225.0000 -205.11750 -201.28344 3.83406 1.89804 -200.76023 390.48238
7230.0000 -204.79303 -200.88824 3.90479 1.87127 -201.25731 371.41510
7235.0000 -204.80953 -200.85077 3.95876 1.87486 -201.19065 371.51801
7240.0000 -205.34469 -200.96051 4.38418 1.90503 -200.63046 395.82758
7245.0000 -205.13238 -201.45201 3.68036 1.85524 -201.55501 357.78879
7250.0000 -204.59469 -200.58789 4.00680 1.85368 -201.58389 357.41330
FREEZING PROCESS: loop number 30 T-loop= 362.00000000000000
main_MD> interactions number 30 at Temperature= 362.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41460 1.03157 0.52382
force_rgl> df(natom) -1.56767 -0.44210 2.17065
7255.0000 -205.03751 -201.46329 3.57422 1.87364 -201.21328 370.55797
7260.0000 -205.01651 -201.42454 3.59196 1.87273 -201.23020 363.47095
7265.0000 -204.83635 -201.31025 3.52611 1.85860 -201.49262 360.14106
7270.0000 -205.27462 -201.64422 3.63040 1.87831 -201.12671 368.32440
7275.0000 -204.60260 -201.23070 3.37190 1.86095 -201.44900 357.17510
7280.0000 -205.29671 -201.57943 3.71727 1.85326 -201.59166 354.93751
7285.0000 -205.49425 -201.62055 3.87370 1.87672 -201.15616 372.98326
7290.0000 -204.98419 -201.00810 3.97609 1.86656 -201.34484 365.82685
7295.0000 -205.00986 -201.60957 3.40029 1.86712 -201.33438 358.01380
7300.0000 -204.43530 -200.38634 4.04896 1.86800 -201.31806 361.67119
7305.0000 -204.81402 -201.34452 3.46949 1.88799 -200.94691 388.79062
7310.0000 -205.18341 -201.70447 3.47895 1.85755 -201.51207 361.87938
7315.0000 -205.59182 -201.71662 3.87520 1.82947 -202.03349 341.01505
7320.0000 -205.78346 -202.22080 3.56266 1.81836 -202.23968 330.37094
7325.0000 -205.15778 -201.83846 3.31932 1.83746 -201.88515 347.37208
7330.0000 -205.07566 -201.62968 3.44598 1.85636 -201.53410 360.67925
7335.0000 -205.10583 -201.13215 3.97368 1.89517 -200.81364 387.44865
7340.0000 -205.16873 -201.61892 3.54981 1.85351 -201.58705 359.26947
7345.0000 -204.69791 -200.68652 4.01138 1.84914 -201.66821 345.06159
7350.0000 -204.77942 -200.92887 3.85054 1.91613 -200.42445 395.53894
7355.0000 -205.17157 -202.22446 2.94711 1.84606 -201.72538 344.64190
7360.0000 -205.39301 -202.12433 3.26868 1.84422 -201.75957 340.75161
7365.0000 -205.26048 -202.00990 3.25058 1.84193 -201.80210 340.82846
7370.0000 -206.00776 -201.91194 4.09582 1.83154 -201.99492 337.78835
7375.0000 -205.15899 -201.79869 3.36030 1.84223 -201.79644 338.81364
7380.0000 -204.96572 -200.92578 4.03994 1.86783 -201.32122 368.67312
7385.0000 -204.66898 -200.35682 4.31216 1.88687 -200.96773 382.49807
7390.0000 -204.71567 -200.74193 3.97374 1.89904 -200.74175 388.43872
7395.0000 -204.95642 -200.94689 4.00953 1.89114 -200.88839 378.62662
7400.0000 -205.47007 -201.25899 4.21108 1.89267 -200.85998 380.33703
7405.0000 -204.97332 -201.63732 3.33600 1.87863 -201.12072 373.23057
7410.0000 -204.88316 -201.04703 3.83613 1.86095 -201.44889 353.45884
7415.0000 -205.06262 -201.40654 3.65608 1.87325 -201.22066 362.05814
7420.0000 -205.31801 -201.33110 3.98691 1.85605 -201.53994 350.27146
7425.0000 -205.57120 -200.85880 4.71240 1.86524 -201.36937 361.86109
7430.0000 -205.11631 -201.60686 3.50945 1.85548 -201.55059 357.25390
7435.0000 -204.59715 -201.25220 3.34495 1.86559 -201.36271 360.46507
7440.0000 -204.68799 -201.35985 3.32813 1.88476 -201.00685 383.19086
7445.0000 -204.58370 -200.99090 3.59280 1.86609 -201.35345 365.99754
7450.0000 -205.19958 -201.89922 3.30036 1.85807 -201.50242 348.27464
7455.0000 -205.52515 -201.47092 4.05423 1.85564 -201.54761 349.33646
7460.0000 -205.54707 -201.72179 3.82528 1.85966 -201.47285 356.07506
7465.0000 -205.62239 -201.74808 3.87431 1.85674 -201.52719 358.79350
7470.0000 -205.81253 -202.42420 3.38834 1.82512 -202.11411 333.54472
7475.0000 -205.24463 -201.83356 3.41107 1.83544 -201.92256 348.54775
7480.0000 -206.05867 -202.63713 3.42154 1.82096 -202.19141 336.46816
7485.0000 -205.69368 -202.46158 3.23210 1.80272 -202.53014 316.40429
7490.0000 -205.41540 -201.76212 3.65328 1.82111 -202.18872 332.93409
7495.0000 -205.46441 -201.36178 4.10263 1.85698 -201.52271 358.79339
7500.0000 -205.19734 -201.23473 3.96261 1.87111 -201.26030 372.85973
FREEZING PROCESS: loop number 31 T-loop= 337.00000000000000
main_MD> interactions number 31 at Temperature= 337.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46929 -1.25788 -2.44411
force_rgl> df(natom) -0.32600 -1.90362 1.47175
7505.0000 -205.48627 -201.82141 3.66487 1.85023 -201.64790 354.45290
7510.0000 -205.27951 -201.54717 3.73234 1.84851 -201.67993 356.97422
7515.0000 -205.32582 -202.21383 3.11198 1.85109 -201.63205 350.63542
7520.0000 -205.66835 -201.83117 3.83718 1.83911 -201.85439 344.54599
7525.0000 -205.43583 -201.86904 3.56679 1.86273 -201.41590 360.18421
7530.0000 -204.86876 -200.80873 4.06003 1.84999 -201.65250 354.46902
7535.0000 -205.36030 -201.83947 3.52084 1.84687 -201.71041 351.17706
7540.0000 -205.65717 -202.02611 3.63106 1.84220 -201.79705 347.86965
7545.0000 -205.49941 -202.06111 3.43829 1.83160 -201.99383 338.40669
7550.0000 -205.69816 -201.83814 3.86002 1.83074 -202.00984 338.81304
7555.0000 -205.28694 -201.70171 3.58523 1.84893 -201.67207 354.78968
7560.0000 -206.01587 -202.35891 3.65696 1.83426 -201.94446 342.17454
7565.0000 -205.45146 -202.50017 2.95129 1.82376 -202.13938 333.41044
7570.0000 -205.64628 -201.41135 4.23493 1.83127 -202.00003 341.37059
7575.0000 -204.72076 -201.36689 3.35387 1.84755 -201.69766 355.67349
7580.0000 -205.29797 -202.25345 3.04451 1.82354 -202.14349 337.24329
7585.0000 -205.52473 -202.20378 3.32095 1.81202 -202.35737 323.46982
7590.0000 -205.43591 -201.98103 3.45487 1.83195 -201.98745 340.03751
7595.0000 -205.84496 -202.23875 3.60621 1.84056 -201.82746 348.93480
7600.0000 -205.71663 -202.36162 3.35501 1.81380 -202.32436 324.18092
7605.0000 -205.48244 -201.81013 3.67231 1.83183 -201.98951 342.28485
7610.0000 -205.33682 -201.49216 3.84465 1.84771 -201.69484 356.49068
7615.0000 -205.64269 -201.96069 3.68200 1.82575 -202.10245 338.28126
7620.0000 -205.40686 -201.94903 3.45783 1.83508 -201.92932 346.46998
7625.0000 -205.45458 -201.37815 4.07643 1.84203 -201.80021 347.88898
7630.0000 -205.10659 -201.84987 3.25672 1.85719 -201.51880 357.63604
7635.0000 -205.34284 -201.66481 3.67804 1.82905 -202.04118 338.08726
7640.0000 -204.95817 -201.49726 3.46092 1.87382 -201.20992 375.89913
7645.0000 -205.88045 -202.41308 3.46737 1.81710 -202.26300 328.42453
7650.0000 -205.54259 -201.57613 3.96646 1.82709 -202.07766 339.06108
7655.0000 -205.84542 -202.46608 3.37934 1.83705 -201.89272 343.75369
7660.0000 -205.48381 -201.86078 3.62303 1.80335 -202.51837 320.21351
7665.0000 -205.63693 -202.14608 3.49085 1.84095 -201.82030 349.14777
7670.0000 -205.84530 -202.12255 3.72275 1.83346 -201.95925 342.99365
7675.0000 -205.59611 -202.27915 3.31696 1.82455 -202.12473 335.35445
7680.0000 -205.94639 -202.32671 3.61968 1.82211 -202.16999 333.47554
7685.0000 -205.43104 -201.76554 3.66550 1.82385 -202.13776 336.72867
7690.0000 -205.18821 -202.35245 2.83576 1.83212 -201.98413 341.40892
7695.0000 -206.23416 -202.79015 3.44401 1.81222 -202.35361 326.72416
7700.0000 -205.32001 -201.75644 3.56356 1.83166 -201.99278 343.48102
7705.0000 -205.47298 -201.81594 3.65703 1.83736 -201.88689 347.45109
7710.0000 -206.42855 -202.54519 3.88336 1.82395 -202.13591 335.33955
7715.0000 -205.46818 -202.03328 3.43490 1.80003 -202.57994 315.58564
7720.0000 -205.41578 -201.54227 3.87351 1.82994 -202.02471 343.22728
7725.0000 -205.44195 -201.58527 3.85669 1.86397 -201.39278 372.17120
7730.0000 -205.21515 -202.30755 2.90760 1.82469 -202.12215 333.49257
7735.0000 -206.02621 -202.48780 3.53842 1.81066 -202.38265 325.04745
7740.0000 -205.96642 -202.53912 3.42730 1.81420 -202.31696 330.23242
7745.0000 -205.65179 -202.34579 3.30600 1.80848 -202.42314 323.06454
7750.0000 -205.34838 -201.69803 3.65036 1.84356 -201.77180 348.61550
FREEZING PROCESS: loop number 32 T-loop= 312.00000000000000
main_MD> interactions number 32 at Temperature= 312.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.90721 -0.67045 2.82970
force_rgl> df(natom) -2.34451 0.32880 1.25825
7755.0000 -205.40440 -202.29856 3.10584 1.82630 -202.09222 336.72662
7760.0000 -205.80418 -202.18709 3.61709 1.82248 -202.16320 331.41677
7765.0000 -205.57739 -202.06141 3.51597 1.81454 -202.31058 324.71480
7770.0000 -205.27957 -201.79206 3.48751 1.82657 -202.08725 333.27920
7775.0000 -206.02903 -202.29366 3.73537 1.84043 -201.82998 350.01269
7780.0000 -205.76906 -202.15671 3.61236 1.80872 -202.41875 324.11650
7785.0000 -205.91115 -202.47159 3.43956 1.81591 -202.28526 328.61163
7790.0000 -205.65621 -201.94490 3.71131 1.83325 -201.96331 341.61687
7795.0000 -205.89845 -202.57219 3.32626 1.80887 -202.41582 322.08623
7800.0000 -206.36038 -202.87178 3.48861 1.79112 -202.74551 308.50577
7805.0000 -205.58681 -202.10924 3.47757 1.80190 -202.54524 315.03855
7810.0000 -205.68768 -202.36868 3.31900 1.81400 -202.32071 326.94935
7815.0000 -205.69427 -202.32080 3.37348 1.80639 -202.46196 321.76743
7820.0000 -206.09893 -202.60357 3.49536 1.80107 -202.56075 314.00406
7825.0000 -205.79643 -202.66546 3.13096 1.78184 -202.91765 298.81510
7830.0000 -206.34741 -202.98296 3.36445 1.78877 -202.78903 304.09063
7835.0000 -205.77927 -202.45585 3.32342 1.77600 -203.02616 292.78366
7840.0000 -206.31930 -202.87917 3.44013 1.79896 -202.59995 316.59707
7845.0000 -206.28808 -203.31679 2.97129 1.77524 -203.04025 293.78767
7850.0000 -206.27201 -203.26182 3.01019 1.77040 -203.13008 289.79682
7855.0000 -206.11291 -202.48568 3.62723 1.80115 -202.55929 313.83386
7860.0000 -206.18013 -202.23050 3.94963 1.80713 -202.44823 319.06904
7865.0000 -206.18411 -202.83085 3.35326 1.81074 -202.38120 323.90172
7870.0000 -205.45633 -202.17670 3.27962 1.80463 -202.49451 316.86887
7875.0000 -206.24721 -202.94856 3.29865 1.80829 -202.42657 319.84901
7880.0000 -205.89626 -202.47850 3.41777 1.79740 -202.62883 308.36942
7885.0000 -206.10348 -202.38049 3.72299 1.80767 -202.43819 322.33815
7890.0000 -205.52367 -202.10059 3.42309 1.81082 -202.37958 325.27016
7895.0000 -205.50155 -201.92940 3.57214 1.83039 -202.01637 339.51757
7900.0000 -205.72678 -202.75789 2.96889 1.80546 -202.47916 317.09018
7905.0000 -205.54658 -202.33396 3.21262 1.80641 -202.46147 318.18530
7910.0000 -205.45479 -202.15662 3.29817 1.83360 -201.95665 344.11111
7915.0000 -205.84814 -202.80228 3.04586 1.79114 -202.74503 303.99204
7920.0000 -206.23688 -203.61745 2.61943 1.75960 -203.33069 275.68040
7925.0000 -206.53783 -203.54178 2.99604 1.76240 -203.27865 281.53058
7930.0000 -206.07509 -203.16898 2.90611 1.76183 -203.28918 282.63023
7935.0000 -206.07937 -203.08546 2.99390 1.77375 -203.06788 293.30263
7940.0000 -206.02300 -202.74515 3.27784 1.78943 -202.77685 303.67780
7945.0000 -206.00759 -203.35026 2.65733 1.77076 -203.12343 290.41101
7950.0000 -205.83163 -202.40333 3.42830 1.79153 -202.73781 307.90197
7955.0000 -205.88053 -202.61486 3.26567 1.80087 -202.56446 315.26729
7960.0000 -206.26745 -203.44262 2.82483 1.77222 -203.09625 291.18026
7965.0000 -206.60601 -203.28083 3.32518 1.75599 -203.39775 276.23042
7970.0000 -205.70778 -202.41737 3.29042 1.78776 -202.80783 305.96405
7975.0000 -206.13075 -203.37844 2.75231 1.77755 -202.99736 297.23240
7980.0000 -206.54755 -203.55965 2.98790 1.75285 -203.45590 273.57186
7985.0000 -206.08488 -203.27849 2.80640 1.75611 -203.39549 279.04968
7990.0000 -205.91208 -202.78851 3.12357 1.78809 -202.80177 303.66398
7995.0000 -205.66520 -202.50761 3.15759 1.80439 -202.49913 321.55509
8000.0000 -206.02732 -202.51584 3.51148 1.79175 -202.73364 308.58569
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 44.3402696 [s].
main_MD> Deallocating global variables
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