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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_77/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_77.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 = 77 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 77 7700
main_MD> Size of nv and nvoiz: 77 7700
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 = 77
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.13783406060539397 2.4275941602212376E-002 -7.5426107224273842E-002 initial drift of cluster / NP1 for coalescence
init> 0.32346616858696309 0.35073440356292140 0.28323313328670424 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7562399052942803E-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) 6.03013 -2.65074 -0.17871
force_rgl> df(natom) 1.66790 -1.07542 -0.82340
preparo> THERMALIZATION PROCESS AT 1221.3216060594079
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -166.68284336221936 15.701939993995774 -182.38478335621514 7.0374616810068376E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
FREEZING PROCESS: loop number 1 T-loop= 1199.0000000000000
main_MD> interactions number 1 at Temperature= 1199.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13963 1.29114 -0.39818
force_rgl> df(natom) 4.06594 0.78700 -4.47836
5.0000 -180.98231 -169.72338 11.25893 3.23221 -168.64937 1232.66478
10.0000 -181.85756 -168.47930 13.37826 3.22238 -168.82735 1238.52662
15.0000 -180.76362 -168.87612 11.88751 3.25281 -168.27668 1255.73065
20.0000 -178.96997 -167.32547 11.64450 3.23268 -168.64092 1227.70849
25.0000 -181.36949 -166.80814 14.56135 3.37920 -165.98908 1312.81905
30.0000 -180.55339 -168.06676 12.48663 3.28121 -167.76262 1261.33901
35.0000 -180.11489 -168.17914 11.93576 3.22516 -168.77708 1188.15694
40.0000 -183.02092 -170.39420 12.62672 3.13003 -170.49879 1179.20816
45.0000 -180.87154 -168.17668 12.69486 3.17472 -169.68993 1145.22163
50.0000 -179.66486 -167.89214 11.77271 3.22881 -168.71104 1244.91459
55.0000 -182.43817 -170.96651 11.47166 3.11768 -170.72226 1175.14805
60.0000 -180.91332 -167.81947 13.09385 3.23622 -168.57677 1236.09751
65.0000 -179.76729 -169.54783 10.21946 3.22426 -168.79331 1190.22297
70.0000 -180.57046 -167.42092 13.14953 3.22117 -168.84930 1202.77579
75.0000 -182.39552 -171.00917 11.38634 3.19750 -169.27775 1196.37786
80.0000 -181.92846 -171.26673 10.66173 3.08741 -171.27017 1145.14202
85.0000 -183.56536 -171.90126 11.66410 3.06422 -171.68998 1142.42009
90.0000 -183.94105 -171.11638 12.82467 3.10008 -171.04095 1176.54707
95.0000 -181.81668 -169.74046 12.07622 3.10536 -170.94539 1145.34316
100.0000 -182.86744 -172.46350 10.40394 3.11306 -170.80600 1182.24791
105.0000 -182.71912 -171.16281 11.55631 3.08802 -171.25924 1148.62136
110.0000 -179.31079 -167.00186 12.30892 3.22467 -168.78587 1249.45401
115.0000 -180.77560 -167.14935 13.62625 3.32715 -166.93108 1312.09622
120.0000 -180.94132 -169.32308 11.61824 3.23275 -168.63974 1219.98620
125.0000 -182.61682 -170.72072 11.89610 3.18739 -169.46073 1197.74248
130.0000 -180.59147 -168.59509 11.99638 3.21865 -168.89487 1250.41100
135.0000 -183.03303 -170.50477 12.52826 3.15456 -170.05487 1207.79970
140.0000 -180.05369 -169.20045 10.85324 3.10354 -170.97819 1188.03803
145.0000 -180.03167 -166.81806 13.21361 3.21978 -168.87450 1254.83432
150.0000 -181.77291 -169.91599 11.85691 3.27110 -167.94556 1261.75391
155.0000 -183.06656 -170.06607 13.00049 3.13429 -170.42174 1131.24010
160.0000 -182.68930 -168.61044 14.07886 3.16259 -169.90947 1184.11531
165.0000 -180.35815 -165.94947 14.40869 3.24575 -168.40445 1234.63800
170.0000 -180.41450 -166.55381 13.86069 3.36000 -166.33660 1302.37717
175.0000 -182.40151 -168.81296 13.58854 3.25919 -168.16114 1269.40302
180.0000 -183.61962 -169.23995 14.37968 3.25236 -168.28469 1265.83045
185.0000 -182.12632 -170.35657 11.76975 3.08524 -171.30946 1131.30851
190.0000 -179.64187 -169.13051 10.51137 3.17702 -169.64838 1200.41849
195.0000 -181.47734 -169.34383 12.13351 3.20616 -169.12100 1225.04383
200.0000 -181.71367 -169.64521 12.06846 3.22676 -168.74814 1234.13637
205.0000 -181.33935 -168.99369 12.34566 3.17709 -169.64706 1176.21487
210.0000 -181.38229 -170.59658 10.78571 3.20555 -169.13204 1211.82547
215.0000 -182.74155 -169.63504 13.10652 3.14034 -170.31222 1184.65399
220.0000 -181.87032 -170.80898 11.06135 3.13384 -170.42985 1163.53560
225.0000 -180.73977 -168.34146 12.39830 3.11843 -170.70879 1151.50451
230.0000 -182.01146 -169.87113 12.14034 3.23434 -168.61080 1237.32944
235.0000 -182.00025 -168.31592 13.68433 3.21815 -168.90382 1181.87714
240.0000 -179.47677 -166.30960 13.16717 3.32014 -167.05806 1274.07479
245.0000 -179.92920 -167.97443 11.95477 3.31716 -167.11197 1255.86506
250.0000 -180.89768 -169.19870 11.69898 3.25104 -168.30869 1252.24761
FREEZING PROCESS: loop number 2 T-loop= 1174.0000000000000
main_MD> interactions number 2 at Temperature= 1174.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40172 0.26396 -4.28110
force_rgl> df(natom) -2.52509 -6.30730 4.84234
255.0000 -182.33803 -172.85394 9.48409 3.09110 -171.20341 1117.94850
260.0000 -181.25391 -169.59399 11.65992 3.15936 -169.96804 1168.91235
265.0000 -182.19477 -169.55078 12.64399 3.24942 -168.33787 1241.38743
270.0000 -183.54102 -170.02896 13.51206 3.10809 -170.89582 1164.43390
275.0000 -181.86675 -170.39219 11.47456 3.13281 -170.44842 1156.60970
280.0000 -182.64152 -169.48470 13.15682 3.20072 -169.21938 1213.34645
285.0000 -181.03239 -168.15569 12.87670 3.18164 -169.56472 1224.10827
290.0000 -184.12238 -172.62531 11.49707 3.15037 -170.13062 1168.80422
295.0000 -183.74410 -170.75918 12.98492 3.04170 -172.09750 1122.19912
300.0000 -182.67200 -172.36863 10.30337 3.12450 -170.59890 1157.10136
305.0000 -182.42928 -169.98322 12.44607 3.13091 -170.48287 1151.41764
310.0000 -182.34786 -169.86514 12.48272 3.16591 -169.84950 1181.19375
315.0000 -183.13840 -171.57302 11.56538 3.10903 -170.87888 1172.88207
320.0000 -181.37930 -169.44867 11.93064 3.14154 -170.29041 1180.92269
325.0000 -180.34230 -167.33028 13.01202 3.21722 -168.92077 1217.97695
330.0000 -180.03027 -169.34167 10.68860 3.27710 -167.83701 1256.63713
335.0000 -181.75793 -170.18059 11.57734 3.16067 -169.94426 1202.47708
340.0000 -180.84392 -170.32901 10.51490 3.16176 -169.92447 1180.66897
345.0000 -182.89079 -168.99381 13.89698 3.22564 -168.76833 1244.45342
350.0000 -181.70968 -170.75606 10.95362 3.18095 -169.57721 1212.31154
355.0000 -181.62808 -168.37282 13.25526 3.20366 -169.16615 1172.62740
360.0000 -181.64359 -169.28263 12.36097 3.14682 -170.19497 1174.95447
365.0000 -180.26447 -168.83296 11.43152 3.20677 -169.10982 1216.07889
370.0000 -181.67933 -169.73553 11.94381 3.30123 -167.40025 1231.53708
375.0000 -181.85347 -172.39880 9.45466 3.07713 -171.45628 1147.24155
380.0000 -181.34407 -169.96949 11.37458 3.14977 -170.14152 1144.86824
385.0000 -181.54386 -170.84125 10.70261 3.05602 -171.83835 1106.18230
390.0000 -181.81643 -170.03740 11.77903 3.18043 -169.58665 1217.03876
395.0000 -182.69723 -170.27924 12.41799 3.19456 -169.33081 1224.58582
400.0000 -182.18015 -171.24431 10.93584 3.11411 -170.78704 1154.74326
405.0000 -184.80698 -172.77739 12.02959 3.11357 -170.79680 1135.62730
410.0000 -183.51281 -173.16542 10.34738 2.97531 -173.29921 1047.54697
415.0000 -183.86730 -172.30292 11.56437 3.02580 -172.38536 1115.12899
420.0000 -181.92854 -172.26284 9.66570 2.96415 -173.50105 1056.81749
425.0000 -179.78203 -170.63106 9.15097 3.10878 -170.88347 1117.56291
430.0000 -179.39661 -165.30960 14.08701 3.23538 -168.59215 1262.45732
435.0000 -178.55659 -168.29297 10.26362 3.22928 -168.70245 1217.05957
440.0000 -183.31545 -170.47189 12.84356 3.18733 -169.46171 1182.19125
445.0000 -182.18088 -170.93262 11.24826 3.13816 -170.35163 1147.37637
450.0000 -181.62595 -169.88213 11.74382 3.12475 -170.59444 1133.41154
455.0000 -180.56369 -166.69275 13.87093 3.20808 -169.08622 1214.27616
460.0000 -181.31101 -166.76953 14.54148 3.33503 -166.78854 1297.29293
465.0000 -180.47405 -168.58349 11.89056 3.28956 -167.61145 1275.78907
470.0000 -180.76736 -169.85997 10.90738 3.23048 -168.68067 1223.09665
475.0000 -183.39716 -170.80189 12.59527 3.16182 -169.92342 1182.31523
480.0000 -183.45009 -172.20776 11.24234 3.09927 -171.05552 1185.11059
485.0000 -182.59916 -171.95130 10.64786 3.08513 -171.31151 1151.77861
490.0000 -182.19124 -171.82358 10.36767 3.05899 -171.78463 1129.57157
495.0000 -182.11128 -170.31846 11.79282 3.03367 -172.24288 1131.97265
500.0000 -182.98143 -171.87154 11.10989 3.09276 -171.17340 1134.98223
FREEZING PROCESS: loop number 3 T-loop= 1149.0000000000000
main_MD> interactions number 3 at Temperature= 1149.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.84212 -1.09668 0.32030
force_rgl> df(natom) -1.35656 -0.72020 -3.45011
505.0000 -183.62476 -172.17016 11.45460 3.01295 -172.61791 1088.94258
510.0000 -183.45651 -172.63223 10.82428 2.98729 -173.08228 1077.03480
515.0000 -184.19066 -171.15749 13.03316 3.08477 -171.31797 1156.95800
520.0000 -183.66933 -170.44947 13.21985 3.09345 -171.16080 1151.32771
525.0000 -182.61222 -171.09487 11.51735 3.11591 -170.75442 1156.58379
530.0000 -182.46361 -171.28739 11.17622 3.09138 -171.19843 1133.75186
535.0000 -181.43881 -170.63303 10.80578 3.13792 -170.35599 1180.49217
540.0000 -183.26120 -170.81787 12.44333 3.15573 -170.03361 1144.42181
545.0000 -182.08632 -169.82789 12.25843 3.14134 -170.29406 1167.81128
550.0000 -183.23876 -172.11986 11.11890 3.13100 -170.48135 1186.91306
555.0000 -185.66568 -174.23641 11.42928 2.98618 -173.10245 1083.25248
560.0000 -184.07518 -173.70751 10.36767 2.96176 -173.54436 1056.55270
565.0000 -182.75120 -171.39516 11.35604 3.05656 -171.82852 1123.33354
570.0000 -185.25671 -174.11319 11.14352 3.01758 -172.53403 1104.61182
575.0000 -183.05036 -171.00994 12.04042 2.96767 -173.43734 1055.18277
580.0000 -181.47328 -169.39451 12.07876 3.13642 -170.38310 1179.84280
585.0000 -183.00120 -170.26336 12.73784 3.19956 -169.24038 1202.82688
590.0000 -181.70972 -169.45339 12.25633 3.19976 -169.23684 1198.56660
595.0000 -181.23655 -170.50429 10.73227 3.14882 -170.15872 1169.22562
600.0000 -182.45279 -171.27613 11.17666 3.08508 -171.31229 1112.29135
605.0000 -183.28971 -173.39945 9.89026 3.04035 -172.12202 1094.72289
610.0000 -181.07603 -169.96008 11.11595 3.09356 -171.15890 1172.29295
615.0000 -179.21463 -168.29888 10.91575 3.18962 -169.42027 1198.88238
620.0000 -180.00104 -169.35665 10.64439 3.19498 -169.32332 1188.32461
625.0000 -180.40832 -168.20726 12.20106 3.21827 -168.90178 1209.20894
630.0000 -181.57781 -170.07745 11.50036 3.22754 -168.73394 1219.13148
635.0000 -180.95230 -169.10027 11.85202 3.13685 -170.37534 1154.41563
640.0000 -181.41861 -170.56629 10.85232 3.17853 -169.62099 1180.20977
645.0000 -181.96908 -170.25233 11.71675 3.11967 -170.68623 1184.11387
650.0000 -185.10209 -172.90344 12.19865 3.05371 -171.88017 1094.50163
655.0000 -183.41005 -171.99906 11.41099 3.02346 -172.42762 1085.38957
660.0000 -183.58517 -171.60046 11.98471 3.10839 -170.89055 1147.46201
665.0000 -181.46927 -171.25045 10.21882 3.05146 -171.92089 1091.51690
670.0000 -183.08166 -172.08274 10.99892 3.07991 -171.40604 1098.33120
675.0000 -183.00097 -170.70738 12.29360 3.11486 -170.77344 1184.56920
680.0000 -179.97828 -168.26361 11.71468 3.15080 -170.12281 1172.56085
685.0000 -182.03057 -170.62020 11.41037 3.16644 -169.83988 1160.25746
690.0000 -180.65067 -168.00698 12.64369 3.14631 -170.20409 1142.87057
695.0000 -178.98449 -166.45107 12.53342 3.32674 -166.93857 1254.53531
700.0000 -182.20708 -170.11258 12.09450 3.21789 -168.90870 1139.54184
705.0000 -181.39932 -169.31443 12.08489 3.20259 -169.18550 1210.47981
710.0000 -181.45462 -170.54252 10.91210 3.14277 -170.26821 1146.70490
715.0000 -181.44001 -171.30011 10.13990 3.15550 -170.03789 1211.30853
720.0000 -183.02671 -172.49191 10.53480 3.16315 -169.89943 1187.38983
725.0000 -182.78533 -172.96464 9.82070 3.03327 -172.25007 1103.24108
730.0000 -182.69897 -172.74943 9.94954 3.05612 -171.83656 1090.94126
735.0000 -180.82734 -169.29407 11.53327 3.12273 -170.63100 1171.07397
740.0000 -183.74786 -170.35572 13.39213 3.15579 -170.03250 1170.50315
745.0000 -181.63233 -171.29327 10.33907 3.07729 -171.45331 1153.89303
750.0000 -181.99287 -171.44768 10.54519 3.09818 -171.07530 1119.58827
FREEZING PROCESS: loop number 4 T-loop= 1124.0000000000000
main_MD> interactions number 4 at Temperature= 1124.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.13585 -0.94488 -0.95116
force_rgl> df(natom) -3.40297 0.55764 1.27686
755.0000 -181.59663 -170.34578 11.25084 3.14358 -170.25364 1157.11096
760.0000 -183.65028 -173.97243 9.67785 3.01648 -172.55400 1070.33360
765.0000 -180.24024 -170.07700 10.16324 3.01216 -172.63221 1051.81467
770.0000 -181.68811 -170.31854 11.36957 3.13884 -170.33930 1170.14386
775.0000 -180.78605 -169.29173 11.49432 3.16957 -169.78311 1196.58922
780.0000 -183.43549 -170.16969 13.26580 3.27041 -167.95797 1238.00628
785.0000 -181.46998 -170.68020 10.78978 3.18897 -169.43209 1204.63623
790.0000 -184.85250 -172.14303 12.70947 3.07232 -171.54334 1130.77337
795.0000 -182.62497 -173.27678 9.34820 2.97839 -173.24347 1075.11819
800.0000 -183.72105 -170.85930 12.86175 3.05836 -171.79596 1112.65829
805.0000 -182.56387 -170.69782 11.86604 3.05084 -171.93213 1100.25477
810.0000 -180.52650 -167.76994 12.75656 3.14303 -170.26348 1156.08269
815.0000 -179.96259 -168.81237 11.15022 3.31612 -167.13064 1271.22899
820.0000 -182.40330 -169.32761 13.07568 3.22218 -168.83101 1204.06476
825.0000 -182.68879 -170.64349 12.04530 3.18529 -169.49867 1195.54113
830.0000 -183.69692 -172.57961 11.11731 3.02597 -172.38219 1098.42377
835.0000 -182.21680 -170.60957 11.60723 3.07402 -171.51260 1121.00382
840.0000 -180.07266 -166.72028 13.35237 3.25964 -168.15297 1268.04433
845.0000 -182.12733 -171.87161 10.25571 3.14010 -170.31659 1146.56257
850.0000 -179.96850 -169.39503 10.57347 3.11937 -170.69169 1123.19420
855.0000 -181.09885 -171.45020 9.64865 3.10651 -170.92446 1134.01945
860.0000 -182.83122 -169.94778 12.88344 3.12182 -170.64738 1168.94102
865.0000 -181.03814 -169.61921 11.41893 3.19115 -169.39263 1225.99309
870.0000 -183.02002 -171.93715 11.08287 3.14642 -170.20216 1142.53534
875.0000 -183.03993 -171.33450 11.70543 3.04484 -172.04078 1129.23406
880.0000 -184.03913 -173.06804 10.97108 3.03846 -172.15612 1124.06052
885.0000 -182.81405 -172.02027 10.79378 3.00693 -172.72690 1094.98398
890.0000 -182.67771 -171.98022 10.69749 3.04281 -172.07743 1162.10666
895.0000 -186.49706 -174.03256 12.46450 3.02639 -172.37455 1117.00243
900.0000 -183.71260 -172.21232 11.50028 2.98458 -173.13132 1099.98530
905.0000 -183.33023 -170.53148 12.79875 3.07351 -171.52180 1125.54762
910.0000 -184.13323 -174.53695 9.59628 3.04246 -172.08375 1107.86507
915.0000 -183.30926 -172.51916 10.79010 3.01600 -172.56272 1114.09602
920.0000 -184.64937 -173.70552 10.94385 2.97934 -173.22621 1096.06099
925.0000 -185.52009 -174.82807 10.69202 2.86738 -175.25266 1002.04212
930.0000 -183.96295 -171.43346 12.52949 3.01436 -172.59237 1122.48049
935.0000 -183.68355 -170.51376 13.16978 3.18319 -169.53665 1189.52856
940.0000 -181.99786 -170.12799 11.86986 3.18575 -169.49024 1186.55671
945.0000 -181.57530 -169.56051 12.01479 3.18580 -169.48944 1219.54441
950.0000 -181.74969 -170.19299 11.55670 3.10695 -170.91662 1159.01579
955.0000 -183.37386 -171.71667 11.65719 3.10513 -170.94954 1170.60706
960.0000 -184.43814 -171.03236 13.40578 3.05600 -171.83867 1145.25395
965.0000 -183.13829 -172.56886 10.56942 3.11540 -170.76365 1128.30714
970.0000 -184.11884 -175.35226 8.76658 2.94756 -173.80138 1044.71859
975.0000 -183.60604 -173.33561 10.27043 2.86984 -175.20803 999.37150
980.0000 -183.97710 -171.03815 12.93895 2.98408 -173.14039 1083.97857
985.0000 -182.70369 -171.31719 11.38649 3.08264 -171.35656 1115.22002
990.0000 -183.61690 -171.88854 11.72836 3.07839 -171.43355 1108.54839
995.0000 -182.49016 -170.71227 11.77789 3.07235 -171.54278 1120.96314
1000.0000 -181.82854 -170.75601 11.07253 3.12443 -170.60014 1166.98466
FREEZING PROCESS: loop number 5 T-loop= 1099.0000000000000
main_MD> interactions number 5 at Temperature= 1099.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81387 9.50495 4.53478
force_rgl> df(natom) -0.37275 1.12688 3.91639
1005.0000 -184.00463 -173.16358 10.84106 3.03454 -172.22706 1070.45489
1010.0000 -183.42399 -172.31957 11.10441 2.97389 -173.32482 1069.88435
1015.0000 -181.41633 -170.61750 10.79884 3.12359 -170.61546 1176.57528
1020.0000 -182.56474 -171.32249 11.24226 3.08900 -171.24136 1123.74358
1025.0000 -181.55441 -171.18764 10.36678 3.07591 -171.47844 1099.37153
1030.0000 -182.69132 -170.80238 11.88894 3.13939 -170.32946 1169.28127
1035.0000 -182.31949 -171.27871 11.04078 3.11686 -170.73724 1145.89294
1040.0000 -182.11876 -172.10884 10.00992 3.03826 -172.15978 1078.98877
1045.0000 -182.35354 -171.80489 10.54866 3.05975 -171.77086 1127.54129
1050.0000 -182.66773 -171.62393 11.04380 3.04229 -172.08692 1117.57976
1055.0000 -182.20699 -169.71975 12.48724 3.13421 -170.42313 1185.98864
1060.0000 -182.10533 -170.26529 11.84004 3.09478 -171.13682 1148.32796
1065.0000 -182.63703 -171.93013 10.70690 3.10231 -171.00061 1139.82945
1070.0000 -181.40620 -170.49912 10.90708 3.15150 -170.11017 1157.82109
1075.0000 -181.54910 -169.61415 11.93495 3.14494 -170.22895 1169.97289
1080.0000 -181.94196 -171.57628 10.36569 3.06620 -171.65415 1083.90116
1085.0000 -183.65385 -173.46853 10.18532 3.01670 -172.55006 1117.35316
1090.0000 -185.10224 -173.14887 11.95337 2.92106 -174.28103 1041.37442
1095.0000 -183.40816 -171.98745 11.42071 3.07014 -171.58271 1151.42186
1100.0000 -182.47197 -171.29817 11.17380 3.11945 -170.69033 1149.78642
1105.0000 -183.17338 -172.92297 10.25041 3.02595 -172.38260 1077.63891
1110.0000 -184.28618 -173.60985 10.67634 2.96437 -173.49707 1069.46439
1115.0000 -183.66101 -173.14229 10.51872 2.98215 -173.17542 1067.33981
1120.0000 -182.53766 -172.12089 10.41677 3.02311 -172.43400 1087.92176
1125.0000 -181.21796 -169.35667 11.86129 3.10822 -170.89347 1152.01559
1130.0000 -185.80850 -172.48205 13.32646 3.11443 -170.78115 1137.28841
1135.0000 -184.35539 -173.72253 10.63286 2.97991 -173.21593 1056.30155
1140.0000 -184.90398 -172.64689 12.25709 2.91971 -174.30546 1037.95273
1145.0000 -185.07474 -172.92141 12.15333 2.98850 -173.06040 1081.01596
1150.0000 -183.54414 -172.64582 10.89831 3.00648 -172.73498 1096.51381
1155.0000 -183.58556 -172.53284 11.05272 2.95686 -173.63303 1071.11824
1160.0000 -182.11737 -171.13694 10.98043 3.03897 -172.14694 1108.61102
1165.0000 -183.24250 -173.35483 9.88766 3.01136 -172.64671 1070.78044
1170.0000 -186.24919 -177.22952 9.01967 2.90364 -174.59625 1005.08312
1175.0000 -185.97292 -175.84268 10.13024 2.81856 -176.13626 987.34487
1180.0000 -186.87849 -176.79833 10.08016 2.79698 -176.52684 952.97484
1185.0000 -184.65256 -175.42725 9.22531 2.87376 -175.13708 990.56342
1190.0000 -184.20327 -175.22386 8.97941 2.83754 -175.79266 972.11573
1195.0000 -182.71386 -171.57046 11.14341 3.02111 -172.47013 1096.36463
1200.0000 -184.31305 -173.43465 10.87840 2.98580 -173.10936 1075.11871
1205.0000 -184.38664 -173.08417 11.30248 2.99336 -172.97249 1070.19675
1210.0000 -184.85245 -171.49262 13.35983 2.95910 -173.59259 1066.44788
1215.0000 -184.06767 -175.36274 8.70492 2.92156 -174.27204 1034.70787
1220.0000 -184.89693 -175.53627 9.36066 2.90821 -174.51351 1045.18006
1225.0000 -181.02284 -171.96115 9.06169 2.98987 -173.03561 1088.67263
1230.0000 -182.54088 -171.36245 11.17843 3.07913 -171.42005 1153.58326
1235.0000 -184.72249 -173.43722 11.28527 3.03805 -172.16365 1091.06217
1240.0000 -182.32775 -170.64162 11.68612 3.01917 -172.50532 1113.31795
1245.0000 -181.62682 -172.35488 9.27193 3.04503 -172.03718 1126.11405
1250.0000 -183.07606 -172.46580 10.61027 3.02333 -172.42993 1126.11102
FREEZING PROCESS: loop number 6 T-loop= 1074.0000000000000
main_MD> interactions number 6 at Temperature= 1074.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.61616 0.04190 -1.32659
force_rgl> df(natom) -2.08862 1.28497 -5.01388
1255.0000 -183.76786 -174.18891 9.57894 3.04451 -172.04675 1107.45610
1260.0000 -183.15259 -173.71131 9.44128 2.93348 -174.05626 1045.17095
1265.0000 -183.87780 -173.07999 10.79780 2.93309 -174.06322 1066.57808
1270.0000 -184.52716 -174.06967 10.45749 3.05553 -171.84718 1144.05522
1275.0000 -186.55393 -177.00600 9.54793 2.88399 -174.95198 1007.77055
1280.0000 -183.75572 -174.37797 9.37775 2.81489 -176.20262 962.19328
1285.0000 -183.46650 -172.86350 10.60300 2.95990 -173.57802 1058.18858
1290.0000 -185.95921 -175.09434 10.86487 2.89111 -174.82316 1010.64351
1295.0000 -183.37641 -172.50023 10.87618 2.98348 -173.15130 1109.54393
1300.0000 -183.36502 -173.78748 9.57754 3.00978 -172.67527 1093.66081
1305.0000 -182.18880 -171.67433 10.51448 3.00048 -172.84349 1101.61576
1310.0000 -181.37609 -170.76152 10.61457 3.18638 -169.47890 1176.60520
1315.0000 -181.61341 -169.23992 12.37349 3.12245 -170.63595 1174.55011
1320.0000 -179.45808 -170.10485 9.35323 3.17758 -169.63812 1173.40401
1325.0000 -183.22405 -172.10656 11.11749 3.12281 -170.62951 1148.74542
1330.0000 -181.28719 -170.33964 10.94755 3.12839 -170.52841 1177.64547
1335.0000 -184.37819 -171.55090 12.82729 3.07664 -171.46521 1118.11826
1340.0000 -184.25805 -174.82177 9.43629 2.93791 -173.97597 995.86541
1345.0000 -182.91145 -173.53702 9.37443 2.95918 -173.59112 1067.78915
1350.0000 -184.60797 -173.71973 10.88824 2.93669 -173.99806 1049.54539
1355.0000 -183.80327 -173.50410 10.29917 2.94455 -173.85595 1017.37136
1360.0000 -184.98882 -174.93444 10.05438 2.94101 -173.91997 1014.80065
1365.0000 -185.35760 -175.13591 10.22169 2.90414 -174.58734 1027.54567
1370.0000 -185.43235 -174.68331 10.74904 2.93941 -173.94894 1048.36740
1375.0000 -181.59411 -172.28408 9.31003 3.02848 -172.33687 1085.08279
1380.0000 -184.14615 -172.27548 11.87067 2.95571 -173.65388 1046.71623
1385.0000 -186.80534 -173.82012 12.98522 2.95673 -173.63535 1053.77007
1390.0000 -183.52552 -173.85103 9.67449 2.99884 -172.87319 1064.42517
1395.0000 -182.21602 -172.30427 9.91174 3.01385 -172.60155 1083.58037
1400.0000 -182.80739 -172.25698 10.55042 3.05053 -171.93765 1112.88299
1405.0000 -183.12572 -173.63266 9.49306 3.05945 -171.77618 1150.69326
1410.0000 -183.62655 -174.16521 9.46134 2.96582 -173.47090 1028.06875
1415.0000 -183.96011 -173.33857 10.62155 2.97913 -173.23007 1062.25660
1420.0000 -183.36887 -171.55583 11.81303 3.05618 -171.83545 1131.44039
1425.0000 -181.67746 -171.34074 10.33672 3.02691 -172.36530 1067.39666
1430.0000 -181.70713 -171.39340 10.31373 3.09720 -171.09299 1136.87048
1435.0000 -184.10726 -171.92164 12.18562 3.09926 -171.05578 1090.53034
1440.0000 -182.53142 -173.10354 9.42789 2.97913 -173.22999 1031.73508
1445.0000 -184.31607 -174.75482 9.56125 2.96942 -173.40575 1054.37986
1450.0000 -185.49374 -174.35441 11.13934 2.91827 -174.33145 1030.97789
1455.0000 -185.03176 -174.12321 10.90855 2.92706 -174.17240 1050.57686
1460.0000 -185.64539 -175.56895 10.07644 2.91518 -174.38743 1033.79399
1465.0000 -185.28182 -173.78881 11.49301 2.91401 -174.40853 1044.84501
1470.0000 -184.62347 -173.79631 10.82716 2.93490 -174.03061 1029.49853
1475.0000 -183.68203 -173.58810 10.09393 2.95351 -173.69366 1080.76196
1480.0000 -184.51048 -173.89686 10.61362 2.95293 -173.70421 1068.00887
1485.0000 -183.79186 -173.97448 9.81739 2.91674 -174.35929 1001.93100
1490.0000 -184.10433 -175.03714 9.06719 2.91849 -174.32745 1027.35680
1495.0000 -185.78284 -175.36517 10.41768 2.84626 -175.63493 948.61723
1500.0000 -185.51199 -174.95089 10.56111 2.88965 -174.84957 1017.28630
FREEZING PROCESS: loop number 7 T-loop= 1049.0000000000000
main_MD> interactions number 7 at Temperature= 1049.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.06130 -0.20079 1.80830
force_rgl> df(natom) 0.07615 0.23226 0.98698
1505.0000 -184.86480 -174.61658 10.24822 2.94037 -173.93150 1059.63673
1510.0000 -185.95217 -176.38721 9.56497 2.91366 -174.41498 1015.72615
1515.0000 -185.50527 -174.85096 10.65431 2.80679 -176.34931 975.37980
1520.0000 -185.35732 -176.41585 8.94147 2.79519 -176.55916 946.73429
1525.0000 -186.80959 -178.55341 8.25618 2.75440 -177.29736 958.28265
1530.0000 -185.96156 -175.72419 10.23737 2.79252 -176.60753 962.32424
1535.0000 -185.29634 -175.08618 10.21015 2.83577 -175.82467 992.36764
1540.0000 -183.59663 -173.28557 10.31106 2.91908 -174.31686 1030.80656
1545.0000 -183.33475 -173.27432 10.06043 2.94080 -173.92374 1026.65419
1550.0000 -184.59960 -175.66979 8.92981 2.97247 -173.35057 1062.39381
1555.0000 -183.64374 -173.94389 9.69985 2.94678 -173.81559 1053.36439
1560.0000 -184.77854 -173.66327 11.11527 2.97409 -173.32125 1071.60023
1565.0000 -185.08963 -174.26827 10.82136 2.97508 -173.30337 1084.57775
1570.0000 -184.01046 -171.90560 12.10486 2.99238 -172.99024 1085.88540
1575.0000 -184.49199 -174.70614 9.78585 3.01880 -172.51205 1108.05427
1580.0000 -185.32416 -174.48439 10.83977 2.92152 -174.27272 1050.44436
1585.0000 -185.90485 -174.61932 11.28554 2.92180 -174.26768 1030.98439
1590.0000 -184.73167 -174.49572 10.23595 2.90762 -174.52421 1007.25748
1595.0000 -184.38559 -173.09685 11.28874 2.93047 -174.11063 1038.95948
1600.0000 -184.20605 -171.97662 12.22943 2.99486 -172.94532 1069.53757
1605.0000 -183.69326 -172.61975 11.07351 3.04877 -171.96961 1102.37447
1610.0000 -181.36765 -170.96923 10.39841 3.04195 -172.09295 1095.13909
1615.0000 -182.61918 -173.33034 9.28884 3.00089 -172.83620 1059.21658
1620.0000 -184.93867 -174.36030 10.57837 2.90979 -174.48497 1008.03085
1625.0000 -185.54233 -175.67906 9.86327 2.89356 -174.77879 1000.41428
1630.0000 -186.06943 -176.78796 9.28147 2.81640 -176.17537 975.24844
1635.0000 -184.11698 -173.82842 10.28856 2.86481 -175.29906 990.13671
1640.0000 -185.56304 -176.02142 9.54162 2.92000 -174.30026 1024.35038
1645.0000 -185.39865 -175.28168 10.11697 2.87426 -175.12801 988.21784
1650.0000 -185.11736 -176.01692 9.10044 2.83938 -175.75932 949.20297
1655.0000 -183.02723 -173.19340 9.83383 2.96809 -173.42981 1051.94081
1660.0000 -182.81295 -172.13982 10.67313 2.99917 -172.86734 1057.25578
1665.0000 -185.35472 -173.65736 11.69736 2.99053 -173.02374 1091.30451
1670.0000 -185.73650 -175.47722 10.25928 2.89507 -174.75142 1016.39590
1675.0000 -185.61834 -175.47481 10.14353 2.86868 -175.22911 981.21807
1680.0000 -183.45353 -173.26083 10.19270 2.91989 -174.30225 1029.42191
1685.0000 -181.12005 -170.66364 10.45641 2.99018 -173.02998 1058.59154
1690.0000 -181.11470 -170.99721 10.11748 3.08853 -171.24988 1146.77141
1695.0000 -182.61344 -172.15901 10.45443 3.04663 -172.00831 1118.24714
1700.0000 -185.64752 -174.84777 10.79974 2.98151 -173.18692 1089.27262
1705.0000 -185.50809 -176.33671 9.17139 2.86277 -175.33611 991.64941
1710.0000 -185.16099 -171.78062 13.38037 2.91632 -174.36682 1031.68578
1715.0000 -182.23309 -172.66716 9.56593 3.01490 -172.58265 1084.79285
1720.0000 -182.07513 -173.05220 9.02293 2.96993 -173.39648 1089.44570
1725.0000 -186.68541 -176.59868 10.08674 2.86515 -175.29302 984.83590
1730.0000 -184.82786 -174.41884 10.40902 2.86712 -175.25720 984.44432
1735.0000 -184.15251 -172.93000 11.22250 2.96762 -173.43834 1061.22402
1740.0000 -184.89877 -175.39846 9.50031 2.87807 -175.05911 989.05326
1745.0000 -183.29892 -171.88733 11.41159 2.90864 -174.50574 1035.01419
1750.0000 -181.02653 -170.15425 10.87229 3.14639 -170.20269 1168.46199
FREEZING PROCESS: loop number 8 T-loop= 1024.0000000000000
main_MD> interactions number 8 at Temperature= 1024.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20344 1.27663 0.37980
force_rgl> df(natom) 1.73885 -2.15728 -0.07716
1755.0000 -184.24935 -173.61986 10.62949 3.07183 -171.55226 1099.88043
1760.0000 -183.35589 -174.24653 9.10936 2.95296 -173.70362 1044.40469
1765.0000 -184.64951 -174.50923 10.14028 2.88816 -174.87640 1020.99601
1770.0000 -182.17452 -173.42953 8.74498 2.93256 -174.07278 1037.42042
1775.0000 -183.76260 -174.06230 9.70030 2.87693 -175.07970 1003.09169
1780.0000 -183.95959 -173.82616 10.13343 3.00005 -172.85144 1089.48471
1785.0000 -184.76493 -174.84195 9.92298 2.95159 -173.72841 1073.36397
1790.0000 -185.24714 -175.61550 9.63164 2.83816 -175.78149 999.41720
1795.0000 -182.73405 -172.57319 10.16086 2.91038 -174.47436 995.49715
1800.0000 -185.71136 -174.42306 11.28830 2.95720 -173.62699 1038.77679
1805.0000 -183.86023 -172.58545 11.27478 2.96286 -173.52452 1069.88409
1810.0000 -184.69011 -174.83812 9.85199 2.91767 -174.34244 1025.52420
1815.0000 -187.26934 -176.59164 10.67769 2.88361 -174.95877 1000.93183
1820.0000 -184.12812 -172.87479 11.25333 2.86149 -175.35919 990.62304
1825.0000 -185.45171 -174.89754 10.55416 2.96643 -173.45977 1058.71397
1830.0000 -183.69579 -173.46633 10.22945 2.94540 -173.84055 1048.01912
1835.0000 -184.61955 -174.52212 10.09743 2.95024 -173.75290 1021.62709
1840.0000 -185.61896 -176.93554 8.68342 2.83157 -175.90077 967.46146
1845.0000 -185.66043 -176.44744 9.21299 2.84551 -175.64847 967.95837
1850.0000 -185.38123 -175.74975 9.63149 2.85401 -175.49453 987.39395
1855.0000 -183.64596 -175.26024 8.38572 2.88915 -174.85859 1036.84552
1860.0000 -183.97243 -174.97515 8.99729 2.91887 -174.32069 1042.49379
1865.0000 -184.43310 -173.55111 10.88199 2.95293 -173.70418 1043.19574
1870.0000 -180.99905 -169.99440 11.00465 3.01937 -172.50170 1100.47899
1875.0000 -182.55190 -172.27146 10.28044 3.10524 -170.94750 1141.59603
1880.0000 -183.94903 -173.76320 10.18583 2.98103 -173.19555 1062.57943
1885.0000 -187.23509 -176.48994 10.74514 2.91218 -174.44167 1032.77846
1890.0000 -186.11837 -177.27886 8.83952 2.77918 -176.84903 940.71762
1895.0000 -188.75303 -179.35899 9.39404 2.71317 -178.04361 916.53742
1900.0000 -185.37893 -174.69749 10.68145 2.81959 -176.11756 951.21553
1905.0000 -185.46540 -175.29799 10.16741 2.89317 -174.78574 1021.63273
1910.0000 -185.81628 -174.66851 11.14777 2.89467 -174.75860 1006.80234
1915.0000 -184.09989 -173.15164 10.94825 2.97874 -173.23706 1056.83972
1920.0000 -183.60631 -171.89791 11.70840 2.96903 -173.41271 1038.37099
1925.0000 -183.66449 -173.46682 10.19767 2.97217 -173.35598 1049.59442
1930.0000 -185.16505 -174.74175 10.42330 2.94292 -173.88541 1050.76356
1935.0000 -185.98018 -175.42878 10.55140 2.90126 -174.63941 1028.56731
1940.0000 -186.59729 -177.03655 9.56074 2.80660 -176.35264 948.30097
1945.0000 -185.60179 -174.58070 11.02109 2.82747 -175.97485 987.23602
1950.0000 -184.68458 -175.55387 9.13072 2.91730 -174.34913 1010.46446
1955.0000 -183.29990 -173.47526 9.82464 2.87848 -175.05164 1032.44604
1960.0000 -186.43566 -173.43225 13.00340 2.93783 -173.97744 1047.92891
1965.0000 -184.88144 -174.93361 9.94783 2.94377 -173.86992 1016.60793
1970.0000 -182.43091 -172.92152 9.50939 2.91593 -174.37390 1023.12569
1975.0000 -182.21563 -170.60646 11.60917 3.04972 -171.95241 1108.40833
1980.0000 -184.29396 -172.91989 11.37407 3.08350 -171.34093 1116.52169
1985.0000 -184.77194 -173.49325 11.27869 3.01775 -172.53109 1102.61557
1990.0000 -186.92574 -177.90170 9.02404 2.83677 -175.80666 973.59062
1995.0000 -183.91250 -174.82840 9.08410 2.82669 -175.98910 981.27910
2000.0000 -183.89499 -176.02949 7.86550 2.90823 -174.51326 990.39702
FREEZING PROCESS: loop number 9 T-loop= 999.00000000000000
main_MD> interactions number 9 at Temperature= 999.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.02950 -8.13101 9.63294
force_rgl> df(natom) -0.84920 0.55005 1.49667
2005.0000 -185.85814 -176.23030 9.62784 2.82318 -176.05249 933.15447
2010.0000 -185.43612 -175.39550 10.04062 2.80134 -176.44781 932.09285
2015.0000 -185.07975 -174.31412 10.76563 2.86870 -175.22867 982.92162
2020.0000 -186.48402 -175.45873 11.02530 2.87552 -175.10534 1019.97507
2025.0000 -185.91204 -176.20360 9.70844 2.82739 -175.97638 950.57436
2030.0000 -186.48795 -176.86289 9.62507 2.85602 -175.45817 988.11184
2035.0000 -186.18684 -176.98756 9.19928 2.80963 -176.29777 952.96672
2040.0000 -183.62664 -174.58514 9.04150 2.84586 -175.64215 972.53793
2045.0000 -185.29630 -174.81592 10.48039 2.86533 -175.28975 989.69794
2050.0000 -184.21693 -173.45183 10.76510 2.93836 -173.96792 1030.97252
2055.0000 -185.62248 -175.65158 9.97090 2.92337 -174.23918 1033.29145
2060.0000 -186.13790 -174.56487 11.57303 2.84958 -175.57472 999.70919
2065.0000 -185.14401 -175.21226 9.93175 2.84670 -175.62685 982.19637
2070.0000 -184.47626 -174.25724 10.21902 2.95396 -173.68548 1026.58065
2075.0000 -184.86189 -174.34382 10.51807 2.91110 -174.46130 980.53636
2080.0000 -183.94550 -173.72217 10.22333 2.89598 -174.73496 995.84596
2085.0000 -184.12683 -173.65593 10.47090 2.92957 -174.12703 1040.62671
2090.0000 -186.09498 -176.08231 10.01267 2.87791 -175.06201 1006.85089
2095.0000 -182.61712 -172.71712 9.90000 2.94242 -173.89437 1032.04421
2100.0000 -184.80907 -174.80431 10.00475 2.93828 -173.96926 1010.96509
2105.0000 -185.67631 -174.26376 11.41255 2.91065 -174.46946 1036.07878
2110.0000 -184.23120 -174.63405 9.59715 2.92378 -174.23175 1012.14533
2115.0000 -185.31173 -175.20849 10.10323 2.84509 -175.65604 988.51907
2120.0000 -184.49227 -174.82205 9.67022 2.86631 -175.27191 1024.93893
2125.0000 -184.89956 -176.59495 8.30461 2.85813 -175.41997 994.32748
2130.0000 -185.95486 -177.16461 8.79025 2.79269 -176.60441 953.06076
2135.0000 -185.60612 -175.85122 9.75489 2.73961 -177.56505 902.40458
2140.0000 -185.20159 -175.77240 9.42919 2.86222 -175.34602 1003.99335
2145.0000 -186.99294 -176.22937 10.76357 2.78894 -176.67220 965.64894
2150.0000 -188.71587 -177.97678 10.73909 2.74322 -177.49979 926.96492
2155.0000 -184.39619 -175.85064 8.54555 2.79430 -176.57527 958.59089
2160.0000 -185.17997 -173.03185 12.14812 2.85598 -175.45896 992.22784
2165.0000 -185.85090 -175.33404 10.51685 2.93964 -173.94475 1043.11451
2170.0000 -183.39591 -174.59345 8.80246 2.87400 -175.13276 992.39544
2175.0000 -185.39029 -175.63034 9.75994 2.86478 -175.29973 975.97853
2180.0000 -185.36217 -175.89577 9.46639 2.89020 -174.83953 1030.13177
2185.0000 -187.26840 -177.16133 10.10708 2.86754 -175.24969 978.72653
2190.0000 -186.77088 -176.46766 10.30323 2.81820 -176.14279 972.66475
2195.0000 -185.72668 -176.22911 9.49757 2.80667 -176.35132 964.47231
2200.0000 -184.89462 -175.81602 9.07859 2.81434 -176.21261 977.09852
2205.0000 -184.77943 -174.76880 10.01063 2.84000 -175.74821 963.20820
2210.0000 -184.70352 -174.88231 9.82122 2.94470 -173.85318 1025.42062
2215.0000 -185.29542 -174.43482 10.86060 2.90217 -174.62284 1016.30802
2220.0000 -183.99725 -173.22304 10.77421 2.95903 -173.59385 1045.78839
2225.0000 -185.10747 -176.34118 8.76629 2.83469 -175.84418 968.12931
2230.0000 -187.48877 -178.74104 8.74773 2.73471 -177.65385 907.27298
2235.0000 -186.03026 -175.97835 10.05191 2.72996 -177.73971 909.49038
2240.0000 -183.96505 -174.14837 9.81667 2.85770 -175.42784 1001.45138
2245.0000 -185.96098 -176.71797 9.24301 2.85818 -175.41906 980.12169
2250.0000 -184.34144 -176.76637 7.57507 2.82017 -176.10707 972.86243
FREEZING PROCESS: loop number 10 T-loop= 974.00000000000000
main_MD> interactions number 10 at Temperature= 974.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.16509 -0.16459 1.28345
force_rgl> df(natom) -0.27955 -0.54835 2.43406
2255.0000 -185.91389 -174.93140 10.98249 2.81503 -176.20009 970.59954
2260.0000 -185.70797 -176.27070 9.43727 2.85023 -175.56307 955.92329
2265.0000 -185.53766 -175.03826 10.49939 2.85518 -175.47342 998.09869
2270.0000 -186.37185 -176.45461 9.91724 2.82165 -176.08019 951.91243
2275.0000 -186.34812 -175.92556 10.42256 2.73821 -177.59053 917.26557
2280.0000 -184.84524 -175.17579 9.66945 2.79580 -176.54810 942.50844
2285.0000 -184.53933 -176.09978 8.43955 2.81197 -176.25545 954.29291
2290.0000 -183.83782 -173.35922 10.47860 2.85579 -175.46228 1005.81944
2295.0000 -184.02192 -173.54894 10.47298 2.95557 -173.65638 1064.48555
2300.0000 -185.16933 -176.14270 9.02663 2.78600 -176.72558 941.32037
2305.0000 -188.00876 -178.90247 9.10629 2.74068 -177.54570 911.59134
2310.0000 -184.35339 -175.42184 8.93155 2.77786 -176.87276 927.67614
2315.0000 -183.61728 -172.48513 11.13215 2.93745 -173.98441 1005.58622
2320.0000 -184.58625 -174.69625 9.89000 2.94818 -173.79023 1012.14749
2325.0000 -185.00588 -174.69865 10.30723 2.91592 -174.37398 1065.16738
2330.0000 -185.16171 -174.90757 10.25414 2.88931 -174.85573 1014.07812
2335.0000 -185.62070 -174.61825 11.00245 2.87372 -175.13790 1011.77287
2340.0000 -185.65970 -175.88765 9.77205 2.84823 -175.59910 985.24268
2345.0000 -186.72998 -177.88948 8.84051 2.78088 -176.81808 937.31418
2350.0000 -186.09727 -177.14149 8.95578 2.78744 -176.69939 924.83242
2355.0000 -189.27212 -180.88914 8.38297 2.69172 -178.43196 874.14828
2360.0000 -185.90286 -177.92175 7.98111 2.62459 -179.64697 857.42458
2365.0000 -186.45731 -175.85218 10.60512 2.77854 -176.86046 939.68586
2370.0000 -186.14137 -176.19047 9.95090 2.83916 -175.76339 983.24203
2375.0000 -186.20799 -176.97550 9.23250 2.74680 -177.43495 935.03748
2380.0000 -187.36703 -176.25460 11.11244 2.76829 -177.04595 955.64211
2385.0000 -187.94649 -178.70168 9.24481 2.70713 -178.15295 916.60820
2390.0000 -185.73343 -178.23177 7.50166 2.63098 -179.53116 833.40689
2395.0000 -184.93632 -175.57804 9.35829 2.81162 -176.26176 955.38983
2400.0000 -185.73771 -175.04529 10.69242 2.88920 -174.85757 1034.81476
2405.0000 -183.28732 -174.60886 8.67846 2.87361 -175.13983 1006.31155
2410.0000 -183.52024 -173.75754 9.76271 2.89231 -174.80136 1012.93272
2415.0000 -185.61596 -175.83062 9.78534 2.82455 -176.02771 963.28810
2420.0000 -184.10052 -174.87691 9.22361 2.85168 -175.53674 985.01404
2425.0000 -186.40412 -175.30616 11.09796 2.86772 -175.24650 981.33380
2430.0000 -186.16521 -177.70240 8.46282 2.75798 -177.23258 912.47412
2435.0000 -186.14492 -175.84125 10.30368 2.73474 -177.65333 914.00769
2440.0000 -184.10366 -173.31547 10.78819 2.89561 -174.74164 1047.56642
2445.0000 -184.55144 -175.09285 9.45859 2.94714 -173.80896 1052.11932
2450.0000 -184.60943 -174.78621 9.82321 2.90558 -174.56128 1007.06764
2455.0000 -185.23031 -175.04897 10.18134 2.89982 -174.66540 1002.43606
2460.0000 -185.21181 -176.55327 8.65855 2.88352 -174.96040 1024.71996
2465.0000 -186.13999 -177.08210 9.05788 2.75239 -177.33387 924.67093
2470.0000 -185.46581 -176.31060 9.15521 2.79443 -176.57286 959.24890
2475.0000 -186.66101 -176.54899 10.11202 2.82489 -176.02158 998.97722
2480.0000 -184.09872 -176.47182 7.62689 2.82030 -176.10476 973.03737
2485.0000 -186.76198 -175.82860 10.93337 2.81891 -176.12982 953.11663
2490.0000 -186.03293 -176.97782 9.05511 2.74315 -177.50107 939.90892
2495.0000 -186.23500 -176.84860 9.38640 2.76836 -177.04476 970.84152
2500.0000 -184.38954 -174.85149 9.53805 2.80760 -176.33458 966.77141
FREEZING PROCESS: loop number 11 T-loop= 949.00000000000000
main_MD> interactions number 11 at Temperature= 949.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.29104 0.08410 1.76752
force_rgl> df(natom) -0.75709 -1.13612 1.07801
2505.0000 -185.69597 -174.02430 11.67167 2.87402 -175.13241 986.81464
2510.0000 -183.90991 -172.71288 11.19703 2.94931 -173.76969 1078.26115
2515.0000 -184.62136 -175.65180 8.96956 2.92037 -174.29352 1014.02038
2520.0000 -185.57456 -177.53832 8.03625 2.77326 -176.95603 927.62426
2525.0000 -184.75399 -174.53929 10.21470 2.83707 -175.80109 950.06870
2530.0000 -184.89817 -175.04784 9.85033 2.83739 -175.79541 974.64467
2535.0000 -186.39428 -175.33730 11.05698 2.86407 -175.31242 986.58330
2540.0000 -185.87646 -177.23142 8.64504 2.71306 -178.04566 907.35420
2545.0000 -184.91482 -175.19710 9.71773 2.80964 -176.29760 983.53806
2550.0000 -185.14649 -177.08782 8.05867 2.79963 -176.47874 955.86961
2555.0000 -186.56690 -176.33507 10.23183 2.81824 -176.14190 960.26441
2560.0000 -185.20491 -176.39156 8.81335 2.75531 -177.28101 938.18925
2565.0000 -187.86941 -179.33294 8.53646 2.71678 -177.97827 882.37272
2570.0000 -185.61059 -178.05285 7.55774 2.70798 -178.13753 880.01628
2575.0000 -186.51037 -175.23545 11.27492 2.83446 -175.84840 948.69195
2580.0000 -184.62439 -175.48214 9.14225 2.84546 -175.64934 971.14739
2585.0000 -187.57083 -178.57751 8.99332 2.79493 -176.56388 947.03196
2590.0000 -186.36992 -176.49478 9.87514 2.74001 -177.55794 915.57376
2595.0000 -185.95570 -176.63067 9.32503 2.82809 -175.96373 966.36906
2600.0000 -185.85350 -177.44909 8.40442 2.73584 -177.63344 900.54867
2605.0000 -186.06817 -175.77835 10.28982 2.81432 -176.21292 951.71442
2610.0000 -187.00517 -178.50733 8.49784 2.73239 -177.69575 893.08181
2615.0000 -187.34046 -177.89478 9.44567 2.66814 -178.85867 849.52957
2620.0000 -187.09414 -178.18446 8.90968 2.74721 -177.42761 922.51947
2625.0000 -187.49940 -178.16946 9.32995 2.70031 -178.27633 885.56150
2630.0000 -186.89715 -177.53426 9.36289 2.74633 -177.44353 902.05590
2635.0000 -185.59632 -178.04088 7.55544 2.75594 -177.26962 921.58753
2640.0000 -188.19118 -181.05570 7.13548 2.64542 -179.26984 849.89282
2645.0000 -187.31623 -179.73253 7.58370 2.59253 -180.22717 841.67281
2650.0000 -186.58388 -177.55545 9.02843 2.71841 -177.94884 869.21751
2655.0000 -184.87847 -177.30471 7.57376 2.75462 -177.29340 897.20291
2660.0000 -185.55607 -176.53864 9.01743 2.81042 -176.28360 933.87003
2665.0000 -184.92454 -176.44340 8.48115 2.76772 -177.05628 936.08524
2670.0000 -185.03775 -176.44397 8.59378 2.76512 -177.10349 920.60116
2675.0000 -185.43307 -176.75753 8.67554 2.80103 -176.45350 924.20942
2680.0000 -185.96744 -176.90147 9.06597 2.77733 -176.88240 965.71813
2685.0000 -184.67883 -173.79248 10.88635 2.84819 -175.59997 992.62596
2690.0000 -185.97666 -175.33142 10.64524 2.86591 -175.27919 1001.13081
2695.0000 -185.12342 -174.76776 10.35566 2.87557 -175.10438 997.39340
2700.0000 -186.69789 -175.80372 10.89416 2.88505 -174.93281 1002.19837
2705.0000 -186.93779 -177.39362 9.54418 2.80719 -176.34192 960.47348
2710.0000 -184.79561 -173.81495 10.98066 2.81172 -176.25997 947.02610
2715.0000 -185.10720 -175.35541 9.75179 2.94194 -173.90303 1043.89227
2720.0000 -184.34240 -176.61707 7.72534 2.85735 -175.43404 982.93606
2725.0000 -186.35412 -175.74113 10.61299 2.79454 -176.57102 930.25805
2730.0000 -186.92227 -177.43775 9.48452 2.76986 -177.01758 934.62416
2735.0000 -187.62609 -177.69080 9.93530 2.74337 -177.49702 909.39690
2740.0000 -187.46078 -178.88319 8.57759 2.66186 -178.97231 861.97363
2745.0000 -187.87230 -177.84857 10.02373 2.78392 -176.76324 952.51879
2750.0000 -187.44656 -178.37712 9.06944 2.75029 -177.37190 944.76029
FREEZING PROCESS: loop number 12 T-loop= 924.00000000000000
main_MD> interactions number 12 at Temperature= 924.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36132 -0.26027 -1.26259
force_rgl> df(natom) 1.91305 2.01444 -2.26141
2755.0000 -186.73076 -177.01721 9.71355 2.69939 -178.29301 873.29574
2760.0000 -185.64604 -176.36879 9.27725 2.86473 -175.30049 1027.40040
2765.0000 -187.49196 -178.01078 9.48118 2.79752 -176.51703 945.81937
2770.0000 -187.33011 -177.46485 9.86526 2.75929 -177.20891 912.98060
2775.0000 -185.62654 -176.39293 9.23361 2.73366 -177.67284 904.64739
2780.0000 -185.47914 -176.49047 8.98867 2.78562 -176.73236 934.91082
2785.0000 -187.76020 -177.89409 9.86612 2.77828 -176.86521 919.45966
2790.0000 -185.24569 -176.21385 9.03183 2.77907 -176.85101 937.76794
2795.0000 -186.42848 -177.67721 8.75126 2.76994 -177.01626 927.85912
2800.0000 -187.23085 -179.06955 8.16131 2.74279 -177.50756 923.62130
2805.0000 -187.59889 -178.64856 8.95033 2.68634 -178.52931 883.09447
2810.0000 -187.74994 -179.53344 8.21650 2.66877 -178.84725 875.63920
2815.0000 -186.59583 -178.55964 8.03619 2.63942 -179.37846 832.39755
2820.0000 -186.96736 -178.54685 8.42051 2.69758 -178.32575 867.71546
2825.0000 -187.04814 -177.76380 9.28433 2.70529 -178.18630 895.20377
2830.0000 -187.34277 -177.94642 9.39634 2.76806 -177.05013 937.60691
2835.0000 -186.21871 -177.64667 8.57205 2.75798 -177.23265 923.96454
2840.0000 -186.00686 -177.74901 8.25785 2.69972 -178.28709 864.99140
2845.0000 -185.82166 -177.37116 8.45050 2.69842 -178.31064 898.62995
2850.0000 -185.81038 -176.46977 9.34061 2.75532 -177.28087 908.83484
2855.0000 -186.21635 -176.83386 9.38249 2.80015 -176.46946 945.13417
2860.0000 -186.11799 -177.13345 8.98454 2.72650 -177.80238 902.85565
2865.0000 -186.22599 -176.40685 9.81914 2.78724 -176.70306 956.91891
2870.0000 -186.32785 -176.28161 10.04624 2.85477 -175.48086 985.08767
2875.0000 -185.66438 -176.05699 9.60739 2.87562 -175.10345 998.10643
2880.0000 -183.30858 -173.15408 10.15450 2.91187 -174.44743 1033.20992
2885.0000 -185.75826 -175.13816 10.62010 2.91114 -174.46049 1004.87301
2890.0000 -187.33895 -180.10209 7.23686 2.69239 -178.41983 879.99512
2895.0000 -186.69409 -178.27971 8.41438 2.66961 -178.83199 859.61920
2900.0000 -187.84435 -179.61543 8.22892 2.68502 -178.55314 883.37035
2905.0000 -185.80065 -176.86338 8.93727 2.70386 -178.21220 892.38678
2910.0000 -186.89644 -176.92976 9.96668 2.73828 -177.58918 933.25761
2915.0000 -186.35864 -177.83991 8.51873 2.81689 -176.16637 978.21112
2920.0000 -186.71988 -177.42007 9.29981 2.78315 -176.77716 955.51710
2925.0000 -187.66560 -178.28543 9.38017 2.72847 -177.76679 891.21746
2930.0000 -186.10209 -177.11002 8.99207 2.79424 -176.57635 943.60095
2935.0000 -186.37083 -177.89907 8.47175 2.75946 -177.20589 907.68802
2940.0000 -185.10101 -176.95577 8.14524 2.78191 -176.79961 912.39038
2945.0000 -187.68475 -178.81811 8.86663 2.69617 -178.35134 892.63670
2950.0000 -186.95915 -177.57803 9.38112 2.70147 -178.25548 907.19184
2955.0000 -186.19586 -176.35766 9.83821 2.79381 -176.58414 937.46747
2960.0000 -186.76321 -177.31494 9.44827 2.78629 -176.72019 907.87313
2965.0000 -186.96177 -177.47033 9.49144 2.76325 -177.13728 899.08888
2970.0000 -188.58023 -179.22356 9.35667 2.67877 -178.66620 852.11897
2975.0000 -185.18560 -176.84551 8.34009 2.67476 -178.73883 862.54364
2980.0000 -187.18580 -178.46641 8.71939 2.69260 -178.41590 885.23835
2985.0000 -186.45430 -178.54408 7.91023 2.69785 -178.32096 858.53892
2990.0000 -187.47238 -178.69944 8.77294 2.72425 -177.84307 884.98402
2995.0000 -186.23122 -178.01961 8.21161 2.74121 -177.53614 922.19934
3000.0000 -185.57383 -176.77859 8.79523 2.76346 -177.13345 938.49958
FREEZING PROCESS: loop number 13 T-loop= 899.00000000000000
main_MD> interactions number 13 at Temperature= 899.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54636 -1.55494 -0.06860
force_rgl> df(natom) -0.02204 0.36204 -0.85402
3005.0000 -188.38659 -177.13543 11.25116 2.78883 -176.67422 963.06640
3010.0000 -187.00283 -177.50170 9.50113 2.72695 -177.79435 929.60758
3015.0000 -187.33145 -178.88707 8.44437 2.69230 -178.42142 849.93462
3020.0000 -188.30861 -179.13065 9.17795 2.69988 -178.28415 864.56350
3025.0000 -187.80348 -178.95770 8.84578 2.65010 -179.18526 856.48534
3030.0000 -188.78906 -179.69109 9.09797 2.70353 -178.21821 880.04248
3035.0000 -188.73595 -179.13854 9.59742 2.61723 -179.78006 836.39339
3040.0000 -187.18993 -177.86681 9.32312 2.66916 -178.84022 846.94588
3045.0000 -184.83263 -175.99607 8.83656 2.76478 -177.10961 903.14767
3050.0000 -186.15221 -177.62684 8.52537 2.76590 -177.08936 936.10497
3055.0000 -186.75810 -176.55545 10.20265 2.79018 -176.64987 942.45052
3060.0000 -187.80381 -179.10992 8.69390 2.79679 -176.53017 956.61825
3065.0000 -187.03131 -178.21263 8.81868 2.63802 -179.40384 844.95323
3070.0000 -187.14229 -178.35916 8.78313 2.71322 -178.04274 909.14993
3075.0000 -186.19969 -178.32245 7.87724 2.63616 -179.43758 854.22114
3080.0000 -187.28710 -176.76823 10.51887 2.73932 -177.57035 898.96132
3085.0000 -187.06344 -176.74133 10.32211 2.73621 -177.62672 920.82379
3090.0000 -186.90330 -177.44659 9.45671 2.72855 -177.76539 913.83693
3095.0000 -185.84485 -176.99585 8.84900 2.82491 -176.02130 963.09411
3100.0000 -186.91691 -179.02263 7.89428 2.74418 -177.48236 946.65155
3105.0000 -188.25779 -180.83135 7.42643 2.62090 -179.71373 836.26868
3110.0000 -188.34549 -180.70300 7.64250 2.54931 -181.00947 778.75390
3115.0000 -189.41786 -180.54516 8.87270 2.58546 -180.35513 796.74731
3120.0000 -186.39093 -177.86872 8.52222 2.65329 -179.12741 856.73385
3125.0000 -185.27095 -175.52082 9.75013 2.82501 -176.01945 974.30015
3130.0000 -185.25979 -176.18491 9.07488 2.80337 -176.41110 951.52172
3135.0000 -187.06348 -178.39712 8.66636 2.72514 -177.82697 896.31188
3140.0000 -185.97429 -177.29722 8.67707 2.72247 -177.87539 859.92505
3145.0000 -186.32096 -178.40389 7.91706 2.76017 -177.19297 897.87977
3150.0000 -187.84091 -179.07331 8.76760 2.69570 -178.35981 887.94236
3155.0000 -187.73144 -178.80216 8.92928 2.66199 -178.96995 863.42143
3160.0000 -187.15081 -178.65258 8.49823 2.68386 -178.57423 855.93326
3165.0000 -187.87122 -178.45985 9.41137 2.70644 -178.16553 879.66314
3170.0000 -186.68664 -177.77449 8.91214 2.71032 -178.09519 895.91750
3175.0000 -186.89954 -179.37394 7.52560 2.68455 -178.56164 887.86475
3180.0000 -186.28686 -178.87504 7.41182 2.66658 -178.88693 860.80547
3185.0000 -186.27275 -176.19459 10.07816 2.74944 -177.38724 906.16585
3190.0000 -186.37855 -177.08803 9.29052 2.80153 -176.44436 943.95154
3195.0000 -188.34189 -177.91445 10.42745 2.73394 -177.66770 914.23238
3200.0000 -187.44918 -178.56071 8.88847 2.68782 -178.50244 875.21987
3205.0000 -187.24044 -179.32476 7.91567 2.66762 -178.86803 839.70981
3210.0000 -187.39656 -178.23943 9.15712 2.68983 -178.46602 885.35458
3215.0000 -188.86022 -179.77038 9.08984 2.70643 -178.16562 886.97211
3220.0000 -188.61138 -180.59380 8.01759 2.62771 -179.59037 848.15478
3225.0000 -188.06470 -179.78237 8.28232 2.61220 -179.87109 829.35876
3230.0000 -187.62698 -178.07442 9.55256 2.68961 -178.47015 847.64836
3235.0000 -186.78480 -177.94825 8.83655 2.70982 -178.10421 889.50684
3240.0000 -185.19061 -175.57087 9.61975 2.78998 -176.65346 936.63914
3245.0000 -187.85831 -178.82103 9.03728 2.72862 -177.76395 874.55239
3250.0000 -187.60645 -177.45623 10.15022 2.69951 -178.29090 883.73070
FREEZING PROCESS: loop number 14 T-loop= 874.00000000000000
main_MD> interactions number 14 at Temperature= 874.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12516 -2.33907 -1.77756
force_rgl> df(natom) -2.64006 1.25723 0.23331
3255.0000 -187.03892 -179.54959 7.48933 2.67160 -178.79599 873.83174
3260.0000 -188.04032 -179.13300 8.90732 2.61842 -179.75854 827.55403
3265.0000 -187.19403 -179.19860 7.99543 2.68427 -178.56682 877.24305
3270.0000 -189.51547 -181.68497 7.83050 2.63761 -179.41126 844.35715
3275.0000 -188.09038 -179.86110 8.22928 2.53347 -181.29609 803.83157
3280.0000 -188.88439 -180.96424 7.92015 2.58880 -180.29471 813.70558
3285.0000 -188.80546 -180.12815 8.67731 2.59992 -180.09349 801.42053
3290.0000 -186.45062 -178.44195 8.00866 2.63290 -179.49653 857.56479
3295.0000 -188.44963 -180.22029 8.22933 2.61657 -179.79204 858.81602
3300.0000 -188.57312 -179.06123 9.51188 2.62825 -179.58066 850.01549
3305.0000 -187.55855 -179.49881 8.05974 2.68453 -178.56203 882.49013
3310.0000 -188.41025 -179.83698 8.57327 2.62775 -179.58975 817.20077
3315.0000 -186.52537 -176.58678 9.93859 2.67697 -178.69885 865.49050
3320.0000 -184.72131 -175.16149 9.55981 2.80538 -176.37474 977.40040
3325.0000 -186.37373 -177.41575 8.95797 2.74781 -177.41679 911.94393
3330.0000 -186.18207 -177.85479 8.32728 2.74138 -177.53302 910.14363
3335.0000 -187.82099 -177.70455 10.11644 2.70940 -178.11190 888.04499
3340.0000 -186.85858 -178.62358 8.23500 2.69077 -178.44904 890.68125
3345.0000 -188.02563 -178.74742 9.27820 2.72563 -177.81809 909.30640
3350.0000 -186.91552 -178.00707 8.90845 2.65465 -179.10285 860.08280
3355.0000 -186.26119 -179.02394 7.23725 2.65242 -179.14321 850.35689
3360.0000 -188.21881 -178.70495 9.51386 2.68624 -178.53104 893.86830
3365.0000 -186.78892 -179.82898 6.95993 2.67377 -178.75677 869.75327
3370.0000 -188.34749 -179.31165 9.03583 2.64498 -179.27792 818.24374
3375.0000 -188.44247 -179.83959 8.60288 2.56530 -180.71997 786.56915
3380.0000 -186.63076 -178.83596 7.79480 2.62492 -179.64092 827.12172
3385.0000 -187.04661 -179.27962 7.76699 2.70203 -178.24525 903.32141
3390.0000 -186.03161 -176.57183 9.45977 2.72622 -177.80749 897.49521
3395.0000 -184.11909 -175.11918 8.99991 2.84779 -175.60717 959.14302
3400.0000 -186.76540 -178.25392 8.51148 2.78824 -176.68503 910.75666
3405.0000 -187.20939 -177.82371 9.38568 2.65890 -179.02589 843.11871
3410.0000 -187.90973 -177.57602 10.33371 2.72913 -177.75484 933.88011
3415.0000 -186.44480 -174.97089 11.47391 2.80563 -176.37026 964.85292
3420.0000 -185.68365 -177.18016 8.50349 2.82715 -175.98072 974.33761
3425.0000 -186.28156 -175.44226 10.83931 2.75945 -177.20604 912.93004
3430.0000 -188.92719 -180.04390 8.88329 2.69697 -178.33688 871.03381
3435.0000 -188.19579 -179.67096 8.52482 2.58159 -180.42512 815.83484
3440.0000 -188.47203 -179.49223 8.97980 2.59692 -180.14774 825.07914
3445.0000 -187.03314 -177.15464 9.87850 2.72908 -177.75572 914.87910
3450.0000 -187.52696 -177.90200 9.62496 2.74298 -177.50404 915.35935
3455.0000 -186.79904 -177.66366 9.13538 2.68116 -178.62300 875.28501
3460.0000 -189.03067 -180.30579 8.72488 2.69135 -178.43862 899.47893
3465.0000 -187.06838 -180.21213 6.85625 2.58728 -180.32226 784.06064
3470.0000 -187.25874 -177.45751 9.80123 2.66859 -178.85058 838.37145
3475.0000 -186.75688 -177.00254 9.75434 2.75487 -177.28886 899.67224
3480.0000 -188.80874 -181.50005 7.30869 2.66564 -178.90392 859.61641
3485.0000 -188.64159 -181.06984 7.57174 2.54019 -181.17454 783.77237
3490.0000 -188.37366 -180.54856 7.82511 2.56801 -180.67102 797.58785
3495.0000 -188.33702 -180.94397 7.39305 2.60777 -179.95126 841.65916
3500.0000 -187.55629 -179.47138 8.08490 2.64923 -179.20099 846.35855
FREEZING PROCESS: loop number 15 T-loop= 849.00000000000000
main_MD> interactions number 15 at Temperature= 849.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56235 1.39025 -3.51008
force_rgl> df(natom) 0.63541 0.51027 0.59584
3505.0000 -188.60036 -179.91755 8.68281 2.61807 -179.76494 842.38545
3510.0000 -189.57326 -180.55328 9.01998 2.57856 -180.48006 797.36355
3515.0000 -188.25873 -180.37951 7.87922 2.57373 -180.56734 811.70641
3520.0000 -187.21908 -178.42490 8.79418 2.62080 -179.71553 832.37890
3525.0000 -188.65190 -179.46418 9.18773 2.67028 -178.81989 876.06526
3530.0000 -187.52942 -179.28408 8.24534 2.67641 -178.70899 905.58162
3535.0000 -187.53254 -178.11310 9.41944 2.67461 -178.74162 860.47409
3540.0000 -184.37317 -177.06923 7.30393 2.72948 -177.74840 925.09183
3545.0000 -187.96516 -178.57287 9.39229 2.70347 -178.21916 900.25731
3550.0000 -190.20557 -179.87893 10.32665 2.66289 -178.95371 870.84439
3555.0000 -188.25121 -180.09005 8.16116 2.58741 -180.31988 817.69651
3560.0000 -187.76144 -178.72583 9.03560 2.60208 -180.05432 837.66284
3565.0000 -186.82744 -177.81709 9.01035 2.71502 -178.01023 902.55711
3570.0000 -185.28220 -176.16108 9.12112 2.74665 -177.43780 917.00181
3575.0000 -184.50049 -175.72928 8.77121 2.80818 -176.32409 937.82358
3580.0000 -186.57277 -177.60103 8.97174 2.83022 -175.92507 940.24974
3585.0000 -186.85707 -177.56262 9.29446 2.75607 -177.26715 897.87661
3590.0000 -184.98036 -175.68058 9.29978 2.81205 -176.25401 952.44639
3595.0000 -187.63749 -178.53025 9.10724 2.71293 -178.04802 911.22182
3600.0000 -186.12969 -176.77480 9.35488 2.73018 -177.73583 893.14650
3605.0000 -188.74156 -180.22064 8.52092 2.67054 -178.81530 883.83680
3610.0000 -187.04145 -178.93757 8.10388 2.61506 -179.81939 829.05723
3615.0000 -188.17257 -179.51641 8.65616 2.67256 -178.77866 859.29641
3620.0000 -185.23450 -177.50780 7.72670 2.67130 -178.80141 847.21239
3625.0000 -187.22221 -178.32755 8.89466 2.65898 -179.02442 858.45357
3630.0000 -186.16052 -178.53602 7.62450 2.69683 -178.33940 880.91064
3635.0000 -187.85108 -178.74278 9.10830 2.67132 -178.80119 869.71001
3640.0000 -188.58585 -179.88569 8.70017 2.62250 -179.68478 834.63639
3645.0000 -188.74187 -180.25573 8.48614 2.59314 -180.21613 805.77092
3650.0000 -189.33131 -181.08821 8.24310 2.56064 -180.80440 809.24892
3655.0000 -187.52226 -179.23192 8.29034 2.63849 -179.39537 836.12257
3660.0000 -188.32148 -180.64252 7.67896 2.63604 -179.43971 865.55365
3665.0000 -190.31452 -182.67582 7.63869 2.49602 -181.97400 763.80949
3670.0000 -188.40462 -179.64496 8.75966 2.55137 -180.97209 800.11011
3675.0000 -187.51471 -176.93673 10.57798 2.68977 -178.46715 861.35732
3680.0000 -187.02768 -177.73934 9.28835 2.71694 -177.97536 879.83820
3685.0000 -187.96692 -179.49079 8.47613 2.64611 -179.25747 847.73259
3690.0000 -189.13920 -181.42492 7.71428 2.56962 -180.64173 792.69084
3695.0000 -188.32389 -180.43349 7.89041 2.56797 -180.67165 803.92719
3700.0000 -187.45600 -179.37848 8.07751 2.62672 -179.60827 814.79207
3705.0000 -190.14388 -181.58538 8.55850 2.57953 -180.46254 805.47961
3710.0000 -189.27646 -181.63201 7.64446 2.55125 -180.97435 790.83544
3715.0000 -187.79318 -179.00720 8.78598 2.60677 -179.96944 828.71526
3720.0000 -188.10380 -180.55009 7.55371 2.60671 -179.97047 837.39636
3725.0000 -188.11279 -178.38764 9.72515 2.63022 -179.54505 848.31649
3730.0000 -188.70280 -180.37073 8.33207 2.64487 -179.27983 844.66466
3735.0000 -188.39492 -180.56003 7.83489 2.58889 -180.29296 790.06139
3740.0000 -186.54345 -177.93734 8.60611 2.64858 -179.21272 865.45718
3745.0000 -187.25827 -179.05012 8.20815 2.66354 -178.94190 873.54169
3750.0000 -186.95171 -178.55643 8.39527 2.62085 -179.71455 837.66515
FREEZING PROCESS: loop number 16 T-loop= 824.00000000000000
main_MD> interactions number 16 at Temperature= 824.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.29901 -0.52282 2.91885
force_rgl> df(natom) -1.93857 0.24451 -5.55221
3755.0000 -188.66542 -178.87114 9.79427 2.66498 -178.91591 890.64930
3760.0000 -187.07631 -179.57153 7.50478 2.64079 -179.35372 854.64455
3765.0000 -189.47119 -180.75208 8.71912 2.64699 -179.24143 860.79922
3770.0000 -190.40203 -182.54845 7.85358 2.50097 -181.88424 780.12120
3775.0000 -189.13513 -181.36609 7.76904 2.52011 -181.53792 788.21500
3780.0000 -188.69888 -180.99038 7.70850 2.58082 -180.43904 798.83112
3785.0000 -188.88504 -181.47800 7.40704 2.55549 -180.89750 762.11163
3790.0000 -187.60414 -180.15176 7.45238 2.51969 -181.54547 762.64319
3795.0000 -187.89027 -179.60969 8.28059 2.62192 -179.69521 859.63935
3800.0000 -187.92561 -180.91457 7.01104 2.59307 -180.21740 819.46621
3805.0000 -187.75230 -179.96835 7.78395 2.58460 -180.37062 812.72122
3810.0000 -187.43064 -176.88702 10.54361 2.67330 -178.76533 846.80102
3815.0000 -187.30824 -179.69840 7.60984 2.64520 -179.27389 852.17877
3820.0000 -188.99772 -180.87703 8.12068 2.60036 -180.08551 788.66974
3825.0000 -186.85377 -177.54456 9.30922 2.62774 -179.58984 826.41306
3830.0000 -186.22025 -177.60826 8.61199 2.72239 -177.87688 901.43147
3835.0000 -188.82284 -180.30134 8.52150 2.65261 -179.13982 866.01974
3840.0000 -188.42677 -180.43611 7.99066 2.58274 -180.40443 835.59137
3845.0000 -186.89473 -179.12594 7.76879 2.56955 -180.64313 799.15125
3850.0000 -186.75910 -178.06991 8.68920 2.68621 -178.53164 857.93941
3855.0000 -187.85721 -178.21356 9.64365 2.67366 -178.75878 866.30458
3860.0000 -188.73142 -180.13712 8.59430 2.64427 -179.29074 851.40673
3865.0000 -187.30396 -179.53872 7.76524 2.61609 -179.80083 824.51787
3870.0000 -188.17798 -178.82721 9.35077 2.64154 -179.34017 857.02238
3875.0000 -187.31858 -178.24533 9.07324 2.68671 -178.52254 905.52442
3880.0000 -186.57084 -178.35254 8.21830 2.70273 -178.23263 850.45346
3885.0000 -187.75770 -179.64995 8.10775 2.65443 -179.10681 860.19911
3890.0000 -187.02424 -178.33753 8.68670 2.68340 -178.58239 876.64059
3895.0000 -187.65963 -180.15932 7.50031 2.63451 -179.46743 875.36637
3900.0000 -187.53075 -179.14558 8.38517 2.61829 -179.76099 840.11075
3905.0000 -187.16622 -178.62959 8.53663 2.64686 -179.24374 849.03836
3910.0000 -186.28283 -177.78249 8.50035 2.71345 -178.03862 879.09296
3915.0000 -187.92098 -180.64974 7.27125 2.65523 -179.09233 843.07140
3920.0000 -190.28159 -181.51334 8.76824 2.57785 -180.49278 822.28776
3925.0000 -189.37795 -181.37828 7.99967 2.52112 -181.51971 786.97897
3930.0000 -188.84991 -180.37090 8.47901 2.51060 -181.71012 758.59807
3935.0000 -189.60888 -180.69262 8.91626 2.56406 -180.74249 808.88154
3940.0000 -187.45831 -180.37757 7.08074 2.59526 -180.17777 829.44567
3945.0000 -186.93629 -179.16754 7.76876 2.56060 -180.80506 806.67441
3950.0000 -187.94791 -178.88103 9.06688 2.68948 -178.47236 893.62558
3955.0000 -189.34774 -181.61448 7.73327 2.52646 -181.42305 785.72802
3960.0000 -188.80910 -182.24459 6.56451 2.49874 -181.92460 764.13090
3965.0000 -187.65717 -180.99733 6.65984 2.47770 -182.30554 734.09137
3970.0000 -186.82003 -178.50021 8.31982 2.62825 -179.58062 852.47255
3975.0000 -188.01282 -179.10079 8.91202 2.64899 -179.20521 840.96681
3980.0000 -189.90326 -181.82687 8.07639 2.58009 -180.45238 806.87636
3985.0000 -189.46608 -181.01360 8.45248 2.55723 -180.86601 784.80033
3990.0000 -188.00441 -179.67658 8.32783 2.60461 -180.00857 819.26037
3995.0000 -188.17216 -180.55017 7.62199 2.55434 -180.91842 771.86253
4000.0000 -187.91191 -180.26032 7.65160 2.57926 -180.46730 810.30316
FREEZING PROCESS: loop number 17 T-loop= 799.00000000000000
main_MD> interactions number 17 at Temperature= 799.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84390 2.08546 -0.92820
force_rgl> df(natom) 3.27125 -2.05943 -2.47519
4005.0000 -188.09363 -180.90639 7.18724 2.56020 -180.81234 772.58956
4010.0000 -189.81450 -181.52643 8.28807 2.58843 -180.30133 806.53686
4015.0000 -189.37494 -180.83435 8.54059 2.55640 -180.88102 785.02343
4020.0000 -188.10312 -179.30115 8.80197 2.62827 -179.58033 841.46276
4025.0000 -186.17985 -178.70508 7.47477 2.62141 -179.70452 823.61724
4030.0000 -188.17308 -179.65846 8.51462 2.62193 -179.69512 838.55155
4035.0000 -189.62760 -181.89066 7.73694 2.57029 -180.62971 813.09769
4040.0000 -188.25839 -181.29861 6.95977 2.49528 -181.98738 770.22789
4045.0000 -188.41646 -179.80446 8.61200 2.59497 -180.18301 818.24916
4050.0000 -185.35248 -178.12146 7.23102 2.63172 -179.51783 844.73010
4055.0000 -188.43939 -181.42243 7.01696 2.59981 -180.09538 805.02241
4060.0000 -188.78462 -180.38012 8.40450 2.56474 -180.73018 794.83580
4065.0000 -188.06228 -180.45726 7.60502 2.61332 -179.85092 813.20531
4070.0000 -189.36335 -182.78091 6.58244 2.50969 -181.72650 759.49586
4075.0000 -189.55659 -182.57655 6.98004 2.50492 -181.81281 733.48409
4080.0000 -189.38086 -180.65397 8.72689 2.51296 -181.66734 766.29833
4085.0000 -189.16134 -181.21377 7.94757 2.54854 -181.02344 764.73593
4090.0000 -188.88133 -180.11406 8.76728 2.59944 -180.10212 804.85376
4095.0000 -189.09614 -181.74532 7.35082 2.56621 -180.70356 771.72265
4100.0000 -190.22088 -181.97879 8.24209 2.51184 -181.68755 752.24525
4105.0000 -189.41777 -180.89646 8.52131 2.53461 -181.27541 781.67214
4110.0000 -188.29929 -181.10942 7.18987 2.53829 -181.20884 789.98551
4115.0000 -188.96879 -181.86461 7.10418 2.51129 -181.69750 738.26582
4120.0000 -189.04424 -181.42692 7.61732 2.57182 -180.60204 815.65394
4125.0000 -188.07786 -179.99995 8.07791 2.59239 -180.22975 814.43387
4130.0000 -189.67834 -180.88208 8.79626 2.58296 -180.40037 800.14101
4135.0000 -188.05752 -181.06250 6.99502 2.55765 -180.85844 792.79019
4140.0000 -187.85274 -179.68118 8.17156 2.57416 -180.55972 844.80258
4145.0000 -189.91349 -180.13861 9.77488 2.61031 -179.90533 803.62127
4150.0000 -189.76307 -181.71152 8.05155 2.52090 -181.52365 781.83721
4155.0000 -187.92537 -180.21747 7.70790 2.55982 -180.81927 807.95493
4160.0000 -187.58732 -177.88313 9.70419 2.69285 -178.41137 868.22221
4165.0000 -187.11225 -178.18562 8.92663 2.68720 -178.51367 861.50463
4170.0000 -189.18719 -179.65589 9.53130 2.68544 -178.54562 856.49190
4175.0000 -188.54102 -180.63936 7.90167 2.60817 -179.94406 813.80809
4180.0000 -188.76327 -181.64077 7.12251 2.55213 -180.95831 765.51535
4185.0000 -189.96111 -183.29655 6.66457 2.47750 -182.30905 734.79798
4190.0000 -190.59314 -182.72522 7.86792 2.49948 -181.91127 767.33590
4195.0000 -190.07966 -183.41942 6.66025 2.44929 -182.81976 728.00574
4200.0000 -186.77654 -179.63496 7.14158 2.49626 -181.96957 762.26354
4205.0000 -187.99344 -179.33469 8.65875 2.65015 -179.18423 849.34274
4210.0000 -190.42129 -181.98865 8.43264 2.55918 -180.83074 810.83499
4215.0000 -189.46629 -181.10000 8.36629 2.52082 -181.52509 783.34150
4220.0000 -188.94905 -180.61967 8.32937 2.57598 -180.52667 814.14687
4225.0000 -188.17018 -179.62807 8.54211 2.55588 -180.89044 798.27733
4230.0000 -187.52768 -180.09243 7.43525 2.56970 -180.64029 807.54282
4235.0000 -189.51680 -180.71123 8.80557 2.60796 -179.94785 834.30359
4240.0000 -189.73056 -180.97608 8.75448 2.56617 -180.70434 804.03209
4245.0000 -188.80359 -181.29549 7.50811 2.57011 -180.63289 811.48260
4250.0000 -188.10094 -181.30238 6.79856 2.52845 -181.38693 745.13330
FREEZING PROCESS: loop number 18 T-loop= 774.00000000000000
main_MD> interactions number 18 at Temperature= 774.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.89465 -0.66485 -0.66458
force_rgl> df(natom) 0.87009 2.23517 0.77565
4255.0000 -188.96836 -180.66484 8.30352 2.56054 -180.80611 791.71192
4260.0000 -187.76768 -181.64932 6.11836 2.58629 -180.34001 814.46475
4265.0000 -188.76118 -179.73257 9.02861 2.59548 -180.17371 813.89537
4270.0000 -189.57920 -182.17243 7.40677 2.51687 -181.59647 746.24724
4275.0000 -188.88782 -180.19539 8.69243 2.55399 -180.92477 801.24887
4280.0000 -188.69476 -179.75049 8.94427 2.57483 -180.54745 802.76066
4285.0000 -189.62404 -180.48047 9.14357 2.56121 -180.79403 796.22258
4290.0000 -188.31803 -180.70127 7.61675 2.55225 -180.95627 788.79448
4295.0000 -188.74913 -182.28388 6.46525 2.51201 -181.68457 738.54442
4300.0000 -190.21813 -182.53694 7.68118 2.47926 -182.27727 738.64935
4305.0000 -189.57820 -182.82929 6.74891 2.47155 -182.41689 756.76513
4310.0000 -188.45791 -181.24723 7.21069 2.48455 -182.18146 705.59984
4315.0000 -187.79841 -182.12159 5.67682 2.51187 -181.68703 745.61512
4320.0000 -188.65175 -182.29378 6.35797 2.47491 -182.35604 716.18440
4325.0000 -189.47696 -180.61366 8.86330 2.50479 -181.81510 750.92374
4330.0000 -188.23888 -181.22688 7.01200 2.53701 -181.23199 774.24041
4335.0000 -187.76641 -180.50598 7.26043 2.52889 -181.37906 765.75951
4340.0000 -189.27742 -182.10822 7.16920 2.53468 -181.27428 791.52973
4345.0000 -190.56730 -182.93047 7.63683 2.45051 -182.79764 755.47659
4350.0000 -191.44522 -183.62945 7.81578 2.38400 -184.00149 689.17115
4355.0000 -189.40717 -182.90675 6.50041 2.41520 -183.43672 695.92802
4360.0000 -188.95337 -182.00960 6.94377 2.45080 -182.79237 738.38631
4365.0000 -189.97911 -182.71584 7.26328 2.48820 -182.11552 740.30868
4370.0000 -189.70148 -182.32299 7.37850 2.50091 -181.88548 756.79402
4375.0000 -191.09484 -182.63852 8.45632 2.43745 -183.03403 725.36983
4380.0000 -189.98909 -182.52429 7.46480 2.44266 -182.93964 725.11532
4385.0000 -189.82446 -181.60699 8.21747 2.50814 -181.75455 774.75369
4390.0000 -188.98428 -182.28725 6.69703 2.45418 -182.73116 729.06252
4395.0000 -190.45761 -182.65811 7.79950 2.51822 -181.57203 781.62824
4400.0000 -190.41103 -183.17664 7.23439 2.43608 -183.05873 713.81407
4405.0000 -190.08334 -182.28512 7.79822 2.41392 -183.45985 710.30989
4410.0000 -188.60299 -181.80421 6.79878 2.51821 -181.57236 779.23574
4415.0000 -189.59230 -180.59051 9.00180 2.56266 -180.76775 768.02451
4420.0000 -189.47920 -181.97130 7.50790 2.52892 -181.37844 781.37157
4425.0000 -189.13670 -181.17792 7.95878 2.52443 -181.45974 763.45353
4430.0000 -189.23090 -180.44028 8.79061 2.53799 -181.21434 766.62087
4435.0000 -186.81200 -180.01562 6.79638 2.56772 -180.67616 787.56606
4440.0000 -189.19962 -181.16777 8.03185 2.55589 -180.89035 792.91653
4445.0000 -189.08960 -181.77535 7.31425 2.51748 -181.58555 767.26914
4450.0000 -189.39388 -182.40879 6.98509 2.51987 -181.54224 771.91904
4455.0000 -189.34571 -180.46984 8.87587 2.52676 -181.41756 797.18780
4460.0000 -187.98183 -180.77468 7.20715 2.57558 -180.53393 803.20959
4465.0000 -189.19058 -181.18532 8.00526 2.53347 -181.29605 777.92972
4470.0000 -188.67490 -181.14102 7.53388 2.54887 -181.01743 784.30740
4475.0000 -189.66163 -182.44898 7.21265 2.49615 -181.97159 761.09134
4480.0000 -189.53338 -182.14845 7.38492 2.47743 -182.31030 741.87646
4485.0000 -189.02361 -179.59740 9.42620 2.54543 -181.07961 768.61599
4490.0000 -187.80696 -179.73355 8.07341 2.61482 -179.82366 841.96833
4495.0000 -188.74641 -180.25851 8.48790 2.60975 -179.91556 797.16604
4500.0000 -190.10761 -182.42925 7.67835 2.53343 -181.29682 765.71062
FREEZING PROCESS: loop number 19 T-loop= 749.00000000000000
main_MD> interactions number 19 at Temperature= 749.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10945 -0.00940 -1.76304
force_rgl> df(natom) 0.01076 -0.93709 1.50396
4505.0000 -187.87300 -180.73006 7.14293 2.54521 -181.08365 807.70922
4510.0000 -190.00809 -182.35174 7.65635 2.56167 -180.78569 822.52626
4515.0000 -190.86859 -183.77462 7.09397 2.42144 -183.32384 698.88347
4520.0000 -191.04925 -183.83417 7.21508 2.41129 -183.50755 699.19365
4525.0000 -188.99238 -181.80262 7.18976 2.48788 -182.12130 744.89228
4530.0000 -190.52943 -182.12789 8.40154 2.44625 -182.87474 718.18516
4535.0000 -190.19940 -182.75200 7.44739 2.45292 -182.75401 718.86714
4540.0000 -189.03067 -181.85877 7.17190 2.49563 -181.98094 716.21472
4545.0000 -188.34726 -181.13144 7.21582 2.51980 -181.54346 768.63982
4550.0000 -188.76899 -182.44877 6.32022 2.51072 -181.70795 739.93491
4555.0000 -189.02594 -181.27992 7.74602 2.51492 -181.63193 761.24703
4560.0000 -189.15910 -182.17710 6.98200 2.50043 -181.89402 778.78195
4565.0000 -191.04435 -181.64813 9.39622 2.50207 -181.86450 766.85721
4570.0000 -190.49096 -183.34498 7.14599 2.45835 -182.65579 764.54352
4575.0000 -190.19159 -183.79563 6.39595 2.40919 -183.54545 707.18438
4580.0000 -189.73173 -182.32987 7.40186 2.45613 -182.69582 726.39858
4585.0000 -190.45690 -182.69566 7.76123 2.45229 -182.76545 737.03994
4590.0000 -188.81938 -181.28835 7.53103 2.50739 -181.76820 774.96221
4595.0000 -190.34058 -183.33064 7.00994 2.48192 -182.22914 742.96027
4600.0000 -190.24380 -183.62480 6.61900 2.38380 -184.00499 701.81871
4605.0000 -189.77784 -182.31256 7.46528 2.41218 -183.49143 698.49592
4610.0000 -190.43508 -182.70770 7.72738 2.48628 -182.15026 745.19468
4615.0000 -189.05299 -181.42983 7.62316 2.51258 -181.67413 775.66407
4620.0000 -189.34188 -180.90532 8.43656 2.52738 -181.40636 780.88798
4625.0000 -188.32030 -181.36896 6.95134 2.48180 -182.23127 725.95100
4630.0000 -188.67391 -180.57172 8.10220 2.55940 -180.82684 790.13650
4635.0000 -188.85147 -181.95228 6.89919 2.55158 -180.96841 753.92613
4640.0000 -189.79094 -181.43252 8.35842 2.51016 -181.71793 753.86934
4645.0000 -190.26483 -183.71807 6.54676 2.45916 -182.64103 725.87166
4650.0000 -188.98963 -181.17406 7.81556 2.47267 -182.39651 718.58160
4655.0000 -189.45630 -180.73270 8.72360 2.54775 -181.03765 801.54013
4660.0000 -188.62910 -180.11029 8.51881 2.60672 -179.97027 836.68554
4665.0000 -189.98150 -181.78346 8.19804 2.55356 -180.93253 813.63590
4670.0000 -187.76261 -180.77918 6.98343 2.54521 -181.08368 800.16746
4675.0000 -188.27242 -181.54584 6.72658 2.54491 -181.08903 794.78767
4680.0000 -189.19156 -181.30452 7.88704 2.53536 -181.26182 761.16858
4685.0000 -187.95274 -181.52752 6.42522 2.52992 -181.36033 765.64136
4690.0000 -189.39095 -181.90083 7.49012 2.49296 -182.02924 717.69727
4695.0000 -189.09012 -183.20733 5.88279 2.48088 -182.24791 725.68218
4700.0000 -191.26269 -183.58425 7.67844 2.39293 -183.83975 673.68783
4705.0000 -190.85368 -182.60342 8.25027 2.41888 -183.37015 721.24166
4710.0000 -189.51724 -181.82443 7.69281 2.43529 -183.07310 718.86893
4715.0000 -189.39510 -182.97418 6.42093 2.49683 -181.95929 764.11718
4720.0000 -189.74159 -183.06747 6.67412 2.48542 -182.16574 775.40810
4725.0000 -189.67309 -182.71668 6.95641 2.42063 -183.33840 729.32765
4730.0000 -188.21580 -181.69553 6.52026 2.48297 -182.21010 761.27467
4735.0000 -190.00953 -182.11140 7.89813 2.49189 -182.04875 744.53049
4740.0000 -189.31074 -182.73827 6.57246 2.43813 -183.02173 692.64726
4745.0000 -189.82082 -182.98714 6.83368 2.47907 -182.28067 759.00773
4750.0000 -190.54034 -181.90946 8.63088 2.48963 -182.08958 746.55419
FREEZING PROCESS: loop number 20 T-loop= 724.00000000000000
main_MD> interactions number 20 at Temperature= 724.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54531 1.58251 3.34219
force_rgl> df(natom) 4.63635 2.97529 -2.26662
4755.0000 -189.67951 -182.88832 6.79119 2.48346 -182.20124 755.01915
4760.0000 -190.96675 -184.54708 6.41967 2.38115 -184.05292 682.54445
4765.0000 -190.32642 -183.30503 7.02139 2.37083 -184.23984 668.25608
4770.0000 -191.11147 -184.24192 6.86956 2.41762 -183.39286 703.60110
4775.0000 -189.30010 -182.85283 6.44727 2.39109 -183.87315 701.14968
4780.0000 -190.89111 -183.43832 7.45279 2.41462 -183.44721 691.04170
4785.0000 -191.38597 -183.04187 8.34409 2.41996 -183.35061 731.19565
4790.0000 -190.99110 -183.96815 7.02295 2.41699 -183.40423 715.03412
4795.0000 -189.70813 -183.99327 5.71486 2.39442 -183.81283 700.64536
4800.0000 -190.89407 -183.80533 7.08874 2.39965 -183.71820 696.40478
4805.0000 -191.20484 -182.29258 8.91226 2.39866 -183.73614 695.00596
4810.0000 -187.93515 -182.09113 5.84403 2.48331 -182.20397 753.56038
4815.0000 -189.49468 -181.99450 7.50018 2.44879 -182.82868 717.00394
4820.0000 -189.66507 -182.17559 7.48948 2.45769 -182.66770 719.13645
4825.0000 -190.31098 -183.75614 6.55484 2.45082 -182.79192 722.09538
4830.0000 -190.84097 -184.40279 6.43818 2.36718 -184.30584 669.99565
4835.0000 -189.88312 -182.37547 7.50765 2.42669 -183.22866 687.54575
4840.0000 -190.68406 -184.04093 6.64313 2.44803 -182.84242 728.91303
4845.0000 -191.62724 -186.02624 5.60099 2.35827 -184.46707 670.53770
4850.0000 -190.10543 -183.19197 6.91346 2.35410 -184.54250 685.01150
4855.0000 -190.27975 -183.09121 7.18854 2.39148 -183.86597 699.25836
4860.0000 -189.69081 -182.38650 7.30432 2.47546 -182.34597 725.65549
4865.0000 -189.90645 -181.50429 8.40216 2.47997 -182.26439 764.93314
4870.0000 -189.31422 -181.58183 7.73240 2.51348 -181.65791 759.66751
4875.0000 -188.90147 -181.54505 7.35643 2.51383 -181.65165 778.10981
4880.0000 -190.54038 -182.68805 7.85233 2.48756 -182.12703 747.98586
4885.0000 -190.14056 -183.17234 6.96822 2.42520 -183.25577 715.83360
4890.0000 -189.17773 -182.73493 6.44280 2.43774 -183.02879 714.17242
4895.0000 -188.64665 -180.26043 8.38622 2.52810 -181.39327 774.97401
4900.0000 -189.86923 -182.64489 7.22434 2.51501 -181.63027 756.69230
4905.0000 -189.47780 -182.10116 7.37664 2.46510 -182.53347 739.52297
4910.0000 -191.50348 -183.44046 8.06302 2.42679 -183.22688 715.34975
4915.0000 -189.97616 -182.45307 7.52309 2.44931 -182.81929 749.21793
4920.0000 -190.85774 -183.66514 7.19260 2.47041 -182.43749 742.25889
4925.0000 -189.51254 -182.76777 6.74478 2.42711 -183.22114 692.88634
4930.0000 -188.13841 -182.06314 6.07527 2.47419 -182.36906 704.21505
4935.0000 -190.17347 -182.90843 7.26504 2.48850 -182.11007 723.12895
4940.0000 -188.93032 -181.46015 7.47016 2.52405 -181.46665 763.08403
4945.0000 -188.73682 -181.49788 7.23894 2.52171 -181.50890 750.00449
4950.0000 -189.85715 -181.50639 8.35076 2.57292 -180.58205 799.01951
4955.0000 -189.16034 -181.28374 7.87660 2.49676 -181.96055 764.96950
4960.0000 -188.98866 -181.07877 7.90989 2.52896 -181.37772 761.92854
4965.0000 -188.69969 -179.65357 9.04611 2.59554 -180.17261 804.95399
4970.0000 -190.24781 -182.20974 8.03807 2.55805 -180.85126 791.78702
4975.0000 -189.89854 -182.56691 7.33164 2.47204 -182.40791 770.08291
4980.0000 -189.47297 -181.42579 8.04718 2.48585 -182.15800 779.01621
4985.0000 -188.96179 -181.07151 7.89028 2.54010 -181.17619 785.92120
4990.0000 -189.37944 -182.57119 6.80825 2.58312 -180.39748 809.15909
4995.0000 -189.44267 -181.35147 8.09120 2.49841 -181.93063 751.94545
5000.0000 -189.04446 -181.83581 7.20865 2.52865 -181.38326 776.90677
FREEZING PROCESS: loop number 21 T-loop= 699.00000000000000
main_MD> interactions number 21 at Temperature= 699.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06000 0.28212 -0.52615
force_rgl> df(natom) 3.87511 0.57572 1.07971
5005.0000 -189.75559 -182.87835 6.87725 2.45770 -182.66757 704.05550
5010.0000 -190.02495 -182.38278 7.64216 2.46228 -182.58456 721.50685
5015.0000 -189.56388 -182.26437 7.29950 2.48935 -182.09467 719.62309
5020.0000 -189.92386 -182.68410 7.23976 2.42822 -183.20108 706.72611
5025.0000 -189.89565 -182.06870 7.82695 2.41556 -183.43023 684.42136
5030.0000 -190.23473 -182.53203 7.70270 2.49227 -182.04171 753.52881
5035.0000 -189.70435 -182.23505 7.46930 2.42795 -183.20587 708.93898
5040.0000 -190.67471 -182.67457 8.00014 2.41794 -183.38705 695.17452
5045.0000 -190.72633 -183.36747 7.35886 2.44311 -182.93157 673.81401
5050.0000 -191.00014 -184.09823 6.90191 2.37602 -184.14592 668.79988
5055.0000 -190.51545 -182.76977 7.74568 2.43039 -183.16172 694.00658
5060.0000 -189.71261 -182.59768 7.11493 2.49473 -181.99730 752.21238
5065.0000 -188.76400 -181.83308 6.93092 2.47013 -182.44252 715.75719
5070.0000 -191.45346 -183.49604 7.95742 2.42630 -183.23581 717.93120
5075.0000 -191.07746 -183.84646 7.23100 2.43647 -183.05176 713.82240
5080.0000 -190.36509 -184.65393 5.71117 2.41711 -183.40212 707.44052
5085.0000 -189.66769 -182.65295 7.01475 2.37276 -184.20484 703.12120
5090.0000 -190.74032 -183.87066 6.86966 2.44232 -182.94577 732.57830
5095.0000 -190.37277 -184.20703 6.16574 2.39084 -183.87757 679.32348
5100.0000 -190.59842 -182.65004 7.94838 2.42187 -183.31598 703.78435
5105.0000 -189.89481 -183.16020 6.73460 2.41784 -183.38884 689.06225
5110.0000 -192.22462 -185.33302 6.89160 2.37027 -184.24989 669.39367
5115.0000 -192.01694 -185.02271 6.99423 2.31946 -185.16960 649.99487
5120.0000 -192.42450 -185.71269 6.71181 2.34166 -184.76767 655.64987
5125.0000 -192.14322 -184.61224 7.53098 2.30170 -185.49091 627.18724
5130.0000 -191.94091 -185.91368 6.02723 2.28899 -185.72092 633.45927
5135.0000 -191.25293 -184.20801 7.04492 2.35655 -184.49826 658.87002
5140.0000 -191.37644 -184.28477 7.09166 2.37949 -184.08306 674.66214
5145.0000 -190.49724 -183.53134 6.96590 2.39953 -183.72035 697.02525
5150.0000 -189.85843 -183.47907 6.37935 2.41193 -183.49585 683.18164
5155.0000 -191.28035 -184.22467 7.05568 2.39757 -183.75571 656.25805
5160.0000 -190.72917 -183.53726 7.19191 2.42053 -183.34029 701.85331
5165.0000 -191.09936 -184.18027 6.91909 2.38831 -183.92343 665.95181
5170.0000 -191.13888 -184.78680 6.35208 2.37324 -184.19615 681.95254
5175.0000 -190.04696 -183.17280 6.87415 2.39912 -183.72771 680.10786
5180.0000 -188.10105 -181.68739 6.41367 2.51120 -181.69915 738.77382
5185.0000 -190.37573 -182.87620 7.49953 2.47298 -182.39084 739.58187
5190.0000 -188.21382 -180.81226 7.40156 2.49297 -182.02921 730.80842
5195.0000 -188.72976 -180.63004 8.09972 2.53168 -181.32852 751.02645
5200.0000 -188.72324 -181.89219 6.83106 2.52740 -181.40593 750.29866
5205.0000 -192.40260 -185.19377 7.20883 2.43112 -183.14852 719.29741
5210.0000 -190.21207 -183.76767 6.44440 2.32921 -184.99313 630.55871
5215.0000 -191.76334 -184.01763 7.74571 2.38446 -183.99302 683.99428
5220.0000 -191.41469 -185.47655 5.93813 2.32797 -185.01559 657.10758
5225.0000 -191.45327 -184.68619 6.76707 2.30068 -185.50946 619.27431
5230.0000 -190.49780 -183.17393 7.32388 2.40972 -183.53594 717.78266
5235.0000 -188.89605 -181.71311 7.18295 2.46569 -182.52291 752.66092
5240.0000 -190.68761 -183.10811 7.57951 2.45162 -182.77746 700.26722
5245.0000 -190.09712 -182.91353 7.18360 2.45242 -182.76305 729.66840
5250.0000 -189.44901 -181.78146 7.66755 2.46932 -182.45725 730.23253
FREEZING PROCESS: loop number 22 T-loop= 674.00000000000000
main_MD> interactions number 22 at Temperature= 674.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36944 -0.37025 1.25685
force_rgl> df(natom) 0.50999 1.94581 -1.88046
5255.0000 -190.58822 -183.34708 7.24114 2.46016 -182.62292 743.40816
5260.0000 -190.85653 -184.03982 6.81671 2.37891 -184.09344 685.37785
5265.0000 -192.14215 -186.20979 5.93236 2.30188 -185.48767 643.52335
5270.0000 -192.59114 -186.45599 6.13516 2.24809 -186.46133 591.95460
5275.0000 -192.54841 -186.01072 6.53770 2.27978 -185.88773 627.85334
5280.0000 -190.60080 -183.34306 7.25775 2.35605 -184.50725 667.18461
5285.0000 -190.40325 -183.49582 6.90743 2.44338 -182.92675 718.38030
5290.0000 -190.38701 -184.41294 5.97407 2.34611 -184.68710 622.53051
5295.0000 -192.29327 -185.89092 6.40235 2.29431 -185.62463 601.17335
5300.0000 -192.00190 -185.25083 6.75106 2.29835 -185.55163 618.92580
5305.0000 -191.58617 -184.95423 6.63194 2.33999 -184.79800 675.66352
5310.0000 -191.07368 -183.97834 7.09534 2.38786 -183.93151 698.81324
5315.0000 -191.25522 -184.50019 6.75502 2.39783 -183.75100 680.93389
5320.0000 -190.20647 -183.55964 6.64683 2.40717 -183.58210 684.20875
5325.0000 -191.45066 -184.17300 7.27767 2.38863 -183.91767 668.35837
5330.0000 -190.54907 -183.76722 6.78185 2.38361 -184.00841 679.12808
5335.0000 -191.48591 -183.90858 7.57733 2.38713 -183.94466 703.26443
5340.0000 -191.51682 -185.45277 6.06405 2.34645 -184.68095 677.41363
5345.0000 -191.57956 -184.70363 6.87593 2.27783 -185.92301 634.77333
5350.0000 -192.55380 -186.08137 6.47242 2.30460 -185.43852 638.33107
5355.0000 -191.24212 -184.61574 6.62638 2.33376 -184.91076 649.83052
5360.0000 -190.55992 -183.28806 7.27185 2.41538 -183.43351 705.28113
5365.0000 -190.94959 -184.37383 6.57576 2.43392 -183.09791 708.21455
5370.0000 -190.58896 -184.60245 5.98650 2.37422 -184.17835 667.37808
5375.0000 -190.99877 -184.13711 6.86166 2.41123 -183.50850 694.98282
5380.0000 -191.56256 -184.43822 7.12434 2.37164 -184.22508 687.42750
5385.0000 -191.61545 -184.18717 7.42828 2.34303 -184.74288 684.98696
5390.0000 -191.70699 -184.28836 7.41863 2.40743 -183.57741 707.47864
5395.0000 -191.29546 -183.90131 7.39415 2.39434 -183.81429 686.06541
5400.0000 -190.82921 -184.82913 6.00008 2.34099 -184.77993 664.06266
5405.0000 -190.74636 -183.38112 7.36524 2.40358 -183.64707 692.00547
5410.0000 -189.53985 -182.91139 6.62847 2.41145 -183.50458 718.06452
5415.0000 -191.78225 -183.79927 7.98298 2.44192 -182.95306 732.46891
5420.0000 -190.40128 -183.70755 6.69373 2.37887 -184.09421 693.08829
5425.0000 -191.63907 -183.91450 7.72458 2.41267 -183.48252 690.97462
5430.0000 -191.54083 -184.64816 6.89267 2.39332 -183.83267 690.91914
5435.0000 -191.25218 -184.74256 6.50963 2.32825 -185.01034 642.33940
5440.0000 -190.74502 -184.05145 6.69357 2.36095 -184.41864 674.95319
5445.0000 -191.70428 -184.82741 6.87687 2.37032 -184.24908 679.90085
5450.0000 -191.96244 -185.70724 6.25519 2.30595 -185.41410 667.32731
5455.0000 -191.79207 -185.47330 6.31876 2.28006 -185.88264 635.38074
5460.0000 -192.45722 -185.83377 6.62345 2.34392 -184.72689 679.21771
5465.0000 -192.90529 -186.26655 6.63874 2.26509 -186.15352 635.43500
5470.0000 -190.80206 -184.26467 6.53740 2.31057 -185.33042 653.79469
5475.0000 -190.77594 -184.31416 6.46178 2.38947 -183.90234 687.89017
5480.0000 -191.02975 -184.71103 6.31872 2.36529 -184.34001 659.95821
5485.0000 -191.67385 -185.65372 6.02013 2.27039 -186.05764 619.25205
5490.0000 -191.33689 -185.58577 5.75112 2.28036 -185.87727 619.66083
5495.0000 -191.19913 -184.65027 6.54885 2.35053 -184.60711 653.77335
5500.0000 -190.09968 -183.38060 6.71909 2.40373 -183.64430 689.38814
FREEZING PROCESS: loop number 23 T-loop= 649.00000000000000
main_MD> interactions number 23 at Temperature= 649.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.04085 0.03688 0.12163
force_rgl> df(natom) 1.05940 -2.13753 0.34439
5505.0000 -192.18019 -186.02775 6.15244 2.34167 -184.76750 645.44193
5510.0000 -190.98818 -184.18968 6.79850 2.30080 -185.50728 634.60864
5515.0000 -190.97343 -184.84892 6.12451 2.34336 -184.73700 682.95044
5520.0000 -191.81318 -184.17847 7.63472 2.33684 -184.85498 670.99184
5525.0000 -191.15554 -184.69104 6.46450 2.34815 -184.65031 669.76687
5530.0000 -193.12585 -186.43564 6.69021 2.31402 -185.26807 652.11737
5535.0000 -190.75433 -184.36800 6.38634 2.31103 -185.32207 634.37717
5540.0000 -190.93675 -184.40326 6.53349 2.37101 -184.23653 682.62428
5545.0000 -191.34387 -184.59122 6.75265 2.34798 -184.65325 658.87492
5550.0000 -191.87963 -185.08503 6.79460 2.31970 -185.16526 644.28142
5555.0000 -192.09169 -185.47065 6.62105 2.29565 -185.60050 613.89786
5560.0000 -190.91751 -184.58095 6.33656 2.32371 -185.09267 642.52109
5565.0000 -191.25192 -184.40753 6.84440 2.39700 -183.76615 685.01657
5570.0000 -192.00648 -185.57503 6.43146 2.32091 -185.14332 649.01146
5575.0000 -190.97336 -184.48235 6.49101 2.33634 -184.86409 650.12391
5580.0000 -191.57987 -184.84718 6.73269 2.35334 -184.55629 655.97180
5585.0000 -191.37898 -184.30812 7.07086 2.33975 -184.80231 663.64842
5590.0000 -192.88201 -186.63878 6.24323 2.31374 -185.27311 644.23608
5595.0000 -191.76870 -186.38141 5.38729 2.25657 -186.30771 607.40109
5600.0000 -191.47905 -184.77170 6.70735 2.26519 -186.15170 607.86706
5605.0000 -190.22644 -184.49308 5.73336 2.36245 -184.39148 643.96016
5610.0000 -191.91382 -184.78650 7.12731 2.36408 -184.36186 666.91921
5615.0000 -191.32266 -185.89368 5.42898 2.28556 -185.78305 627.55532
5620.0000 -190.62895 -183.31736 7.31159 2.37060 -184.24401 672.63375
5625.0000 -190.34521 -184.43856 5.90666 2.40835 -183.56061 697.34714
5630.0000 -190.67173 -184.70079 5.97094 2.36474 -184.34996 659.36324
5635.0000 -190.69744 -184.54229 6.15516 2.36333 -184.37553 680.10027
5640.0000 -191.06574 -184.87783 6.18791 2.36245 -184.39137 682.29141
5645.0000 -190.45942 -184.53751 5.92192 2.33198 -184.94295 639.49622
5650.0000 -191.56850 -184.99290 6.57560 2.36962 -184.26171 686.63676
5655.0000 -192.46758 -185.17820 7.28938 2.33210 -184.94081 647.44776
5660.0000 -192.62625 -186.79710 5.82915 2.27583 -185.95915 623.45046
5665.0000 -192.61886 -186.14078 6.47808 2.28923 -185.71675 626.56299
5670.0000 -192.61991 -186.79882 5.82108 2.25636 -186.31158 611.14960
5675.0000 -192.32750 -185.95491 6.37260 2.26731 -186.11340 604.70773
5680.0000 -191.81834 -185.65692 6.16143 2.30634 -185.40694 629.70111
5685.0000 -192.51558 -185.98802 6.52756 2.29048 -185.69411 634.60568
5690.0000 -191.21645 -185.12737 6.08908 2.27959 -185.89116 639.99065
5695.0000 -192.30796 -185.10995 7.19801 2.29990 -185.52359 637.05641
5700.0000 -192.19877 -186.63899 5.55978 2.28299 -185.82966 617.57217
5705.0000 -192.14138 -186.40466 5.73672 2.24253 -186.56188 585.41067
5710.0000 -190.30668 -184.34829 5.95839 2.30535 -185.42499 638.39917
5715.0000 -192.28511 -186.54396 5.74115 2.28705 -185.75611 602.00861
5720.0000 -190.64558 -185.00835 5.63723 2.25107 -186.40731 592.66579
5725.0000 -190.83214 -183.70436 7.12778 2.35379 -184.54812 664.93349
5730.0000 -191.59462 -185.28390 6.31072 2.33612 -184.86804 659.73894
5735.0000 -192.82666 -185.56203 7.26463 2.29124 -185.68034 612.75881
5740.0000 -191.07074 -185.22577 5.84497 2.32587 -185.05346 667.97212
5745.0000 -191.64866 -185.11082 6.53784 2.29355 -185.63852 640.65448
5750.0000 -191.37250 -184.25048 7.12202 2.31662 -185.22100 620.92649
FREEZING PROCESS: loop number 24 T-loop= 624.00000000000000
main_MD> interactions number 24 at Temperature= 624.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05447 -0.97299 -2.44048
force_rgl> df(natom) 0.28617 -0.84050 0.76811
5755.0000 -192.13628 -186.73287 5.40340 2.25970 -186.25120 584.50046
5760.0000 -190.91670 -185.70531 5.21139 2.28046 -185.87537 601.64045
5765.0000 -191.89988 -185.90475 5.99513 2.31191 -185.30621 635.40331
5770.0000 -192.27506 -186.67191 5.60314 2.22400 -186.89723 570.74715
5775.0000 -192.62601 -185.63117 6.99484 2.25212 -186.38841 617.59237
5780.0000 -192.93248 -186.12362 6.80885 2.28877 -185.72499 648.68171
5785.0000 -191.85616 -185.45968 6.39648 2.25014 -186.42424 620.67309
5790.0000 -192.73400 -187.66577 5.06823 2.24024 -186.60327 602.72348
5795.0000 -193.36417 -187.93369 5.43048 2.19791 -187.36949 576.93621
5800.0000 -194.17831 -187.24450 6.93382 2.18825 -187.54439 590.66791
5805.0000 -191.91388 -184.96441 6.94948 2.22414 -186.89466 587.24237
5810.0000 -190.25827 -184.53888 5.71939 2.30426 -185.44471 641.59972
5815.0000 -192.79228 -185.94493 6.84735 2.33790 -184.83571 636.00949
5820.0000 -191.31400 -186.16249 5.15151 2.27167 -186.03448 607.87909
5825.0000 -193.24186 -186.39114 6.85072 2.24582 -186.50236 589.78278
5830.0000 -191.93346 -186.12185 5.81161 2.26556 -186.14503 617.49695
5835.0000 -192.10054 -186.22613 5.87442 2.26344 -186.18346 617.93429
5840.0000 -193.14439 -187.67564 5.46875 2.20366 -187.26540 560.21879
5845.0000 -190.62825 -184.45074 6.17751 2.27670 -185.94341 605.72256
5850.0000 -190.31277 -184.01797 6.29480 2.34148 -184.77094 650.18862
5855.0000 -191.40882 -184.30834 7.10048 2.35944 -184.44586 654.58092
5860.0000 -192.05822 -186.08484 5.97337 2.32446 -185.07894 642.27075
5865.0000 -191.81116 -186.78412 5.02705 2.25221 -186.38674 603.69108
5870.0000 -191.42114 -185.14147 6.27967 2.30210 -185.48366 638.09428
5875.0000 -192.24317 -185.73841 6.50476 2.30253 -185.47594 654.85429
5880.0000 -192.27873 -186.48200 5.79673 2.23583 -186.68325 577.12717
5885.0000 -191.64543 -185.08205 6.56337 2.29654 -185.58432 605.77794
5890.0000 -192.17931 -186.39334 5.78597 2.30100 -185.50368 617.01147
5895.0000 -192.47116 -186.08138 6.38978 2.27021 -186.06094 591.49185
5900.0000 -192.11591 -186.28278 5.83312 2.29004 -185.70193 632.13532
5905.0000 -191.69501 -185.35803 6.33698 2.30447 -185.44082 649.08856
5910.0000 -191.35608 -185.20839 6.14768 2.33439 -184.89924 638.25324
5915.0000 -191.89490 -185.56514 6.32976 2.31258 -185.29402 620.76524
5920.0000 -192.16896 -185.35853 6.81042 2.33273 -184.92929 657.80030
5925.0000 -192.35166 -186.48798 5.86368 2.26497 -186.15567 594.90595
5930.0000 -191.30710 -185.20335 6.10375 2.27305 -186.00946 624.09680
5935.0000 -191.39451 -184.63385 6.76065 2.32841 -185.00758 658.36893
5940.0000 -190.92946 -183.46146 7.46801 2.37479 -184.16811 689.25818
5945.0000 -191.21873 -185.59418 5.62454 2.37608 -184.14469 694.74825
5950.0000 -192.32401 -185.86969 6.45432 2.26297 -186.19197 589.01328
5955.0000 -192.27599 -185.73740 6.53859 2.25309 -186.37068 596.48684
5960.0000 -192.72029 -186.42278 6.29751 2.28517 -185.79012 625.06667
5965.0000 -192.03100 -186.05665 5.97435 2.27860 -185.90913 606.55979
5970.0000 -192.01707 -184.51220 7.50487 2.34187 -184.76398 642.81043
5975.0000 -191.30184 -184.69488 6.60695 2.36236 -184.39300 680.14177
5980.0000 -191.12586 -183.21364 7.91222 2.39507 -183.80097 678.07496
5985.0000 -192.19893 -186.15447 6.04446 2.34476 -184.71154 656.22393
5990.0000 -191.89905 -186.13906 5.75999 2.27354 -186.00063 607.60150
5995.0000 -191.92306 -186.34918 5.57388 2.28240 -185.84029 635.44233
6000.0000 -193.05554 -187.20418 5.85135 2.21811 -187.00388 588.70746
FREEZING PROCESS: loop number 25 T-loop= 599.00000000000000
main_MD> interactions number 25 at Temperature= 599.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.40175 2.66012 1.32894
force_rgl> df(natom) -2.09104 -0.41656 0.90061
6005.0000 -192.54958 -186.12428 6.42530 2.24690 -186.48281 602.60533
6010.0000 -192.48950 -185.74118 6.74832 2.27360 -185.99961 589.64299
6015.0000 -192.06063 -186.74022 5.32041 2.27402 -185.99187 599.81038
6020.0000 -193.01684 -187.55379 5.46305 2.19543 -187.41435 550.16474
6025.0000 -192.29611 -187.12713 5.16898 2.22097 -186.95205 576.18759
6030.0000 -193.05460 -187.54724 5.50737 2.21855 -186.99593 572.22611
6035.0000 -193.34719 -186.05645 7.29075 2.22642 -186.85349 580.19624
6040.0000 -191.82253 -185.49705 6.32547 2.29582 -185.59744 623.15954
6045.0000 -192.40516 -185.36036 7.04480 2.29306 -185.64729 630.53146
6050.0000 -191.29588 -184.53152 6.76435 2.28439 -185.80420 608.28567
6055.0000 -191.18068 -185.07655 6.10414 2.32920 -184.99331 655.54612
6060.0000 -192.11415 -184.94251 7.17164 2.30909 -185.35729 645.78659
6065.0000 -191.38267 -185.04344 6.33923 2.30889 -185.36092 615.30491
6070.0000 -189.76699 -184.29460 5.47239 2.33971 -184.80302 639.76639
6075.0000 -190.81759 -184.93211 5.88548 2.33494 -184.88929 652.52833
6080.0000 -190.88976 -184.79997 6.08978 2.34093 -184.78089 632.40274
6085.0000 -191.35683 -185.84678 5.51005 2.26288 -186.19353 587.28996
6090.0000 -192.25407 -186.68371 5.57036 2.23580 -186.68364 576.91786
6095.0000 -193.26351 -187.77976 5.48375 2.21083 -187.13573 561.20612
6100.0000 -192.82615 -186.53889 6.28726 2.17513 -187.78180 555.84304
6105.0000 -192.90798 -186.55255 6.35543 2.20995 -187.15163 599.51635
6110.0000 -192.26281 -186.63652 5.62629 2.21136 -187.12597 585.74428
6115.0000 -192.08490 -185.93383 6.15107 2.24754 -186.47116 605.67089
6120.0000 -192.54445 -186.07933 6.46512 2.26696 -186.11969 616.23314
6125.0000 -192.32283 -185.75210 6.57074 2.25512 -186.33401 592.22411
6130.0000 -191.37103 -184.61247 6.75856 2.34088 -184.78180 664.93855
6135.0000 -192.13943 -185.45681 6.68262 2.32588 -185.05341 631.18520
6140.0000 -191.76168 -185.72702 6.03466 2.28090 -185.86736 612.70181
6145.0000 -192.23601 -186.43261 5.80340 2.23671 -186.66719 584.22543
6150.0000 -191.74138 -185.44605 6.29534 2.26395 -186.17429 611.19927
6155.0000 -191.75783 -185.46545 6.29237 2.33641 -184.86272 644.09311
6160.0000 -192.07647 -186.55153 5.52494 2.26044 -186.23770 584.55600
6165.0000 -192.73821 -186.77138 5.96684 2.24846 -186.45455 602.14646
6170.0000 -193.53262 -188.09201 5.44062 2.21368 -187.08408 555.82737
6175.0000 -193.69742 -187.45743 6.23999 2.19034 -187.50653 582.91124
6180.0000 -193.79213 -187.23346 6.55866 2.21667 -187.03003 605.32951
6185.0000 -194.42718 -187.67037 6.75682 2.20456 -187.24910 590.01056
6190.0000 -193.16089 -188.32856 4.83232 2.14219 -188.37802 545.54853
6195.0000 -192.81055 -187.45721 5.35334 2.17271 -187.82559 563.89759
6200.0000 -192.70694 -186.53272 6.17422 2.19253 -187.46686 566.46889
6205.0000 -192.96189 -187.41015 5.55174 2.21016 -187.14786 573.98529
6210.0000 -192.86301 -187.88628 4.97673 2.17549 -187.77533 543.62739
6215.0000 -192.65979 -187.83009 4.82971 2.19041 -187.50529 585.32224
6220.0000 -192.72878 -186.62748 6.10130 2.23461 -186.70533 617.75468
6225.0000 -191.55785 -185.31564 6.24221 2.28270 -185.83478 650.79408
6230.0000 -192.31861 -185.82696 6.49165 2.31269 -185.29210 639.33214
6235.0000 -192.44649 -187.49649 4.95000 2.23892 -186.62732 573.55278
6240.0000 -191.16933 -185.65212 5.51721 2.25774 -186.28655 600.60981
6245.0000 -191.37706 -185.87890 5.49816 2.24818 -186.45971 575.35564
6250.0000 -191.15137 -185.68045 5.47091 2.29061 -185.69161 588.16909
FREEZING PROCESS: loop number 26 T-loop= 574.00000000000000
main_MD> interactions number 26 at Temperature= 574.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45736 3.93667 2.66793
force_rgl> df(natom) -1.20282 1.51837 -1.09161
6255.0000 -191.84316 -186.24371 5.59944 2.28053 -185.87417 603.93375
6260.0000 -192.11806 -186.54051 5.57755 2.24816 -186.46002 595.12377
6265.0000 -192.48255 -187.17543 5.30712 2.21516 -187.05732 580.48903
6270.0000 -192.53518 -187.05012 5.48506 2.21077 -187.13673 556.41262
6275.0000 -192.43370 -186.41742 6.01629 2.22780 -186.82842 577.36233
6280.0000 -191.78986 -186.66669 5.12317 2.24724 -186.47658 576.90902
6285.0000 -193.91094 -187.08286 6.82809 2.25149 -186.39971 604.69738
6290.0000 -192.40276 -187.29840 5.10436 2.20333 -187.27145 575.48163
6295.0000 -194.03244 -189.13371 4.89873 2.17503 -187.78351 546.72972
6300.0000 -193.09389 -187.50319 5.59070 2.18133 -187.66951 566.02386
6305.0000 -194.28019 -188.73778 5.54241 2.13313 -188.54191 537.27150
6310.0000 -192.89407 -187.16101 5.73306 2.17166 -187.84466 561.58407
6315.0000 -192.14955 -186.93899 5.21056 2.20487 -187.24349 565.12403
6320.0000 -193.38278 -186.30331 7.07946 2.21296 -187.09712 576.71430
6325.0000 -192.60927 -187.08852 5.52075 2.21445 -187.07013 598.05497
6330.0000 -193.95661 -188.34844 5.60817 2.16433 -187.97725 566.34671
6335.0000 -193.06374 -188.00884 5.05490 2.16858 -187.90029 554.17330
6340.0000 -193.43774 -187.56896 5.86878 2.14834 -188.26671 534.32117
6345.0000 -192.34046 -186.42288 5.91758 2.25486 -186.33876 612.85076
6350.0000 -192.65450 -185.88112 6.77338 2.23746 -186.65359 586.49229
6355.0000 -192.10399 -187.18546 4.91853 2.26501 -186.15511 602.82084
6360.0000 -192.45610 -187.11365 5.34245 2.20659 -187.21244 568.47157
6365.0000 -192.64415 -186.99980 5.64435 2.22183 -186.93658 580.90105
6370.0000 -192.74089 -186.50240 6.23849 2.21451 -187.06903 575.82129
6375.0000 -193.16831 -187.06629 6.10202 2.21414 -187.07566 563.83942
6380.0000 -192.86686 -187.49401 5.37285 2.20923 -187.16465 577.24182
6385.0000 -191.82861 -186.42163 5.40698 2.19664 -187.39240 563.98249
6390.0000 -192.45048 -186.45157 5.99890 2.24202 -186.57120 590.82976
6395.0000 -192.46640 -187.04079 5.42561 2.21240 -187.10729 568.91984
6400.0000 -192.73790 -187.70120 5.03670 2.20144 -187.30558 574.43325
6405.0000 -192.07073 -185.73308 6.33766 2.26022 -186.24167 618.71404
6410.0000 -193.57886 -187.62810 5.95076 2.18398 -187.62164 554.08423
6415.0000 -192.96738 -186.80113 6.16625 2.18903 -187.53012 577.00986
6420.0000 -193.39648 -187.44051 5.95597 2.22904 -186.80613 582.36431
6425.0000 -191.88651 -186.29925 5.58725 2.21566 -187.04828 559.30529
6430.0000 -192.35298 -186.64935 5.70363 2.24637 -186.49239 579.76069
6435.0000 -192.67498 -187.66064 5.01434 2.20204 -187.29474 547.38192
6440.0000 -191.17927 -186.22048 4.95879 2.22558 -186.86872 571.41106
6445.0000 -193.07644 -187.73908 5.33735 2.24164 -186.57806 580.63615
6450.0000 -193.97021 -187.80500 6.16521 2.15837 -188.08507 519.49954
6455.0000 -193.43668 -187.35188 6.08481 2.17329 -187.81513 554.04568
6460.0000 -192.70529 -186.36650 6.33879 2.22254 -186.92379 587.24278
6465.0000 -192.49596 -187.06384 5.43212 2.20959 -187.15812 557.98220
6470.0000 -193.53686 -186.91667 6.62019 2.19060 -187.50175 558.29182
6475.0000 -191.89491 -186.28974 5.60517 2.22916 -186.80390 584.76285
6480.0000 -192.93254 -187.02225 5.91029 2.23967 -186.61371 618.09262
6485.0000 -191.45147 -186.09981 5.35166 2.24221 -186.56778 596.97425
6490.0000 -192.64320 -186.58590 6.05730 2.26723 -186.11476 588.01079
6495.0000 -193.28789 -186.69428 6.59361 2.26076 -186.23187 620.46251
6500.0000 -194.11471 -187.51112 6.60359 2.23451 -186.70700 618.86650
FREEZING PROCESS: loop number 27 T-loop= 549.00000000000000
main_MD> interactions number 27 at Temperature= 549.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08786 -1.83698 0.11713
force_rgl> df(natom) 1.71424 -0.85088 3.05137
6505.0000 -194.84708 -190.20879 4.63830 2.10977 -188.96478 525.02679
6510.0000 -193.76010 -188.97353 4.78657 2.09240 -189.27913 518.24522
6515.0000 -193.12727 -187.41933 5.70794 2.11914 -188.79515 529.45363
6520.0000 -193.87345 -188.60556 5.26789 2.16395 -187.98417 562.90336
6525.0000 -193.95739 -188.57715 5.38023 2.12229 -188.73817 539.85420
6530.0000 -193.29765 -187.83345 5.46419 2.13155 -188.57061 558.73707
6535.0000 -192.96919 -187.39351 5.57568 2.18465 -187.60954 569.58375
6540.0000 -193.75704 -187.65742 6.09962 2.15792 -188.09329 556.39291
6545.0000 -194.15742 -188.28007 5.87734 2.15414 -188.16162 558.06947
6550.0000 -192.86737 -187.35619 5.51118 2.17443 -187.79450 570.10212
6555.0000 -194.09669 -188.70711 5.38958 2.16394 -187.98432 552.16154
6560.0000 -193.90223 -188.88898 5.01325 2.15313 -188.17996 537.83445
6565.0000 -194.12665 -188.53101 5.59563 2.10395 -189.07016 518.04961
6570.0000 -192.54586 -187.23634 5.30952 2.16212 -188.01722 566.42056
6575.0000 -193.23273 -187.81314 5.41959 2.20610 -187.22122 576.55400
6580.0000 -193.68320 -188.21636 5.46684 2.17857 -187.71950 544.21680
6585.0000 -193.30523 -187.22880 6.07643 2.17684 -187.75076 540.07131
6590.0000 -192.43906 -187.00655 5.43252 2.22768 -186.83071 575.81899
6595.0000 -193.43474 -187.06499 6.36975 2.22239 -186.92637 594.24965
6600.0000 -193.23128 -187.91878 5.31250 2.17991 -187.69532 562.18423
6605.0000 -194.06320 -189.39126 4.67194 2.12612 -188.66878 520.68797
6610.0000 -193.28853 -187.96472 5.32381 2.14622 -188.30496 547.13386
6615.0000 -193.78972 -187.52874 6.26097 2.18971 -187.51786 595.09374
6620.0000 -194.10491 -188.50018 5.60474 2.17511 -187.78213 594.85135
6625.0000 -194.16708 -188.16101 6.00607 2.16435 -187.97689 573.66777
6630.0000 -194.04958 -188.31321 5.73637 2.14052 -188.40816 553.39069
6635.0000 -194.91695 -189.66578 5.25117 2.09318 -189.26495 521.66870
6640.0000 -194.68808 -188.73495 5.95313 2.10431 -189.06355 544.76696
6645.0000 -194.22609 -188.38981 5.83629 2.11408 -188.88666 567.54647
6650.0000 -195.15443 -189.90180 5.25263 2.10788 -188.99891 535.84964
6655.0000 -193.86089 -188.49395 5.36695 2.07669 -189.56348 513.86658
6660.0000 -193.99093 -189.15724 4.83369 2.11943 -188.78999 550.60348
6665.0000 -193.62896 -188.46297 5.16599 2.12199 -188.74352 518.88495
6670.0000 -193.71208 -188.13338 5.57871 2.14218 -188.37811 533.94617
6675.0000 -193.54292 -187.45050 6.09242 2.16578 -187.95098 577.41833
6680.0000 -194.02218 -188.55306 5.46912 2.16882 -187.89600 591.61558
6685.0000 -194.31005 -189.08473 5.22532 2.10086 -189.12609 539.55709
6690.0000 -193.87279 -187.39153 6.48126 2.16016 -188.05280 585.85070
6695.0000 -193.70965 -187.87282 5.83683 2.17240 -187.83114 591.54448
6700.0000 -194.07339 -188.88468 5.18871 2.17077 -187.86062 594.80513
6705.0000 -194.77871 -188.30379 6.47492 2.11292 -188.90772 527.10799
6710.0000 -193.14893 -187.61782 5.53110 2.15126 -188.21388 546.62688
6715.0000 -193.21327 -188.08854 5.12473 2.17188 -187.84059 561.64682
6720.0000 -194.03701 -188.91992 5.11709 2.13267 -188.55036 541.30345
6725.0000 -194.22013 -188.67585 5.54428 2.12502 -188.68876 504.74774
6730.0000 -194.18844 -188.78834 5.40010 2.10879 -188.98249 530.49369
6735.0000 -194.40692 -189.71000 4.69692 2.08600 -189.39497 505.22791
6740.0000 -194.30743 -188.93819 5.36925 2.11513 -188.86769 518.85614
6745.0000 -192.80094 -186.44695 6.35398 2.17437 -187.79547 544.04905
6750.0000 -194.14576 -188.74639 5.39937 2.16296 -188.00206 546.42511
FREEZING PROCESS: loop number 28 T-loop= 524.00000000000000
main_MD> interactions number 28 at Temperature= 524.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90138 1.12569 -2.31799
force_rgl> df(natom) 0.22150 2.88362 -1.63974
6755.0000 -194.11534 -189.00586 5.10948 2.12361 -188.71423 504.60103
6760.0000 -194.08899 -188.55786 5.53112 2.11309 -188.90458 519.14089
6765.0000 -193.53944 -187.87718 5.66226 2.10473 -189.05606 521.58488
6770.0000 -192.91859 -187.64136 5.27723 2.19337 -187.45174 584.23471
6775.0000 -193.82657 -188.65628 5.17029 2.14346 -188.35494 517.35593
6780.0000 -193.51383 -188.75833 4.75550 2.10814 -188.99419 483.22905
6785.0000 -194.52112 -189.52941 4.99171 2.10423 -189.06505 494.04941
6790.0000 -194.33804 -189.30006 5.03798 2.10736 -189.00832 488.81968
6795.0000 -194.24835 -189.18382 5.06453 2.10437 -189.06250 509.04392
6800.0000 -194.27859 -189.45201 4.82657 2.11361 -188.89527 515.20954
6805.0000 -194.25910 -188.96681 5.29229 2.07483 -189.59714 482.46954
6810.0000 -193.09087 -187.31404 5.77683 2.17770 -187.73530 546.54361
6815.0000 -193.24845 -187.89982 5.34863 2.17995 -187.69458 550.66349
6820.0000 -194.26821 -188.05451 6.21371 2.12710 -188.65107 521.49362
6825.0000 -194.12845 -188.36564 5.76281 2.15186 -188.20298 563.13605
6830.0000 -194.42858 -189.76760 4.66097 2.08943 -189.33286 527.16352
6835.0000 -193.83094 -187.96809 5.86285 2.14348 -188.35461 555.40513
6840.0000 -194.49358 -189.59339 4.90019 2.08510 -189.41119 522.82738
6845.0000 -193.99376 -188.11884 5.87492 2.10590 -189.03486 542.66123
6850.0000 -193.53701 -188.52012 5.01690 2.14376 -188.34960 551.04900
6855.0000 -195.35920 -190.03005 5.32914 2.08282 -189.45258 515.91872
6860.0000 -194.69900 -189.67553 5.02348 2.05331 -189.98657 489.14699
6865.0000 -194.70921 -189.88728 4.82192 2.09335 -189.26194 512.76954
6870.0000 -194.53453 -189.73332 4.80122 2.02603 -190.48039 480.57400
6875.0000 -194.24723 -189.29597 4.95126 2.04079 -190.21325 492.82311
6880.0000 -194.03968 -188.32777 5.71191 2.13023 -188.59447 541.08057
6885.0000 -194.78734 -188.88971 5.89763 2.12821 -188.63109 530.23040
6890.0000 -193.51238 -188.48330 5.02908 2.11789 -188.81770 508.23727
6895.0000 -193.68879 -187.36499 6.32379 2.14741 -188.28343 536.74097
6900.0000 -193.38107 -187.56366 5.81741 2.16828 -187.90570 540.14843
6905.0000 -193.11253 -187.58194 5.53059 2.18171 -187.66273 543.88302
6910.0000 -193.56702 -187.58184 5.98519 2.18109 -187.67383 580.04427
6915.0000 -193.70964 -188.47348 5.23616 2.17825 -187.72525 565.03965
6920.0000 -193.71350 -188.40570 5.30780 2.15441 -188.15686 531.12803
6925.0000 -193.43741 -188.42525 5.01216 2.13954 -188.42599 497.10245
6930.0000 -193.80140 -187.95967 5.84172 2.14535 -188.32085 487.60455
6935.0000 -193.30404 -187.84731 5.45673 2.17783 -187.73300 538.70726
6940.0000 -193.54518 -188.71068 4.83450 2.14423 -188.34107 514.86027
6945.0000 -192.98793 -187.23928 5.74865 2.17103 -187.85593 538.05706
6950.0000 -192.72999 -187.57003 5.15996 2.20275 -187.28181 577.22036
6955.0000 -193.35632 -188.35442 5.00190 2.14792 -188.27430 518.21726
6960.0000 -193.51465 -188.22612 5.28854 2.15056 -188.22654 543.86271
6965.0000 -193.17464 -188.15999 5.01465 2.16672 -187.93405 573.04040
6970.0000 -193.98648 -188.14722 5.83925 2.15882 -188.07704 576.96172
6975.0000 -192.82730 -188.54663 4.28066 2.15856 -188.08176 575.51105
6980.0000 -194.50667 -189.41787 5.08881 2.13649 -188.48111 536.42415
6985.0000 -194.07213 -188.56150 5.51063 2.11960 -188.78685 519.04511
6990.0000 -193.01970 -187.74539 5.27431 2.16297 -188.00180 546.22128
6995.0000 -193.95194 -189.35446 4.59748 2.14623 -188.30484 526.23958
7000.0000 -194.16097 -188.84962 5.31135 2.11604 -188.85135 502.34328
FREEZING PROCESS: loop number 29 T-loop= 499.00000000000000
main_MD> interactions number 29 at Temperature= 499.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83498 0.41732 2.79808
force_rgl> df(natom) -1.63516 -0.90513 -1.49070
7005.0000 -195.13430 -190.38269 4.75161 2.08823 -189.35454 501.79215
7010.0000 -195.13734 -190.26396 4.87338 2.05711 -189.91795 479.11434
7015.0000 -194.18274 -189.31958 4.86315 2.08075 -189.48992 498.48061
7020.0000 -194.16689 -188.96085 5.20605 2.10522 -189.04713 506.41181
7025.0000 -194.20960 -189.92342 4.28618 2.09538 -189.22519 485.60480
7030.0000 -194.26327 -189.44218 4.82109 2.06203 -189.82884 460.63755
7035.0000 -193.90944 -189.07626 4.83318 2.09851 -189.16849 492.32226
7040.0000 -192.80099 -187.26756 5.53343 2.16258 -188.00901 542.54976
7045.0000 -192.35876 -187.45383 4.90493 2.18871 -187.53601 560.22990
7050.0000 -193.68819 -187.37062 6.31757 2.20067 -187.31951 580.81524
7055.0000 -193.71163 -188.23990 5.47173 2.19788 -187.36995 540.53363
7060.0000 -192.32883 -186.94820 5.38063 2.19278 -187.46225 541.21174
7065.0000 -194.58224 -188.73309 5.84915 2.16704 -187.92817 536.32951
7070.0000 -194.40829 -189.05472 5.35357 2.13635 -188.48372 526.10484
7075.0000 -194.55847 -189.67914 4.87933 2.07507 -189.59278 477.58345
7080.0000 -194.88470 -190.32108 4.56362 2.05408 -189.97276 472.87843
7085.0000 -194.53743 -189.30888 5.22855 2.06976 -189.68892 486.59808
7090.0000 -194.21617 -188.94133 5.27485 2.11440 -188.88088 498.93634
7095.0000 -192.50913 -187.39005 5.11908 2.15914 -188.07126 536.08991
7100.0000 -194.31193 -188.51857 5.79336 2.15384 -188.16717 530.21338
7105.0000 -193.74896 -188.92056 4.82840 2.11322 -188.90237 498.52134
7110.0000 -193.81714 -188.24875 5.56839 2.14053 -188.40804 550.99872
7115.0000 -194.31230 -189.02961 5.28269 2.09470 -189.23757 546.82739
7120.0000 -195.68541 -189.85321 5.83220 2.04935 -190.05828 511.78466
7125.0000 -194.16196 -188.90268 5.25927 2.09580 -189.21754 538.36992
7130.0000 -193.88952 -189.73037 4.15915 2.09804 -189.17711 527.19108
7135.0000 -194.97777 -189.55652 5.42125 2.05577 -189.94210 494.13450
7140.0000 -195.13643 -189.89130 5.24513 2.06266 -189.81735 503.83316
7145.0000 -194.27316 -189.63068 4.64249 2.01928 -190.60250 481.53746
7150.0000 -195.48302 -190.26852 5.21450 2.07534 -189.58789 519.96757
7155.0000 -195.04237 -190.21109 4.83128 2.04186 -190.19394 486.12558
7160.0000 -194.92574 -189.65979 5.26596 2.03469 -190.32368 481.44035
7165.0000 -193.37101 -188.48664 4.88437 2.10622 -189.02901 499.75173
7170.0000 -194.53093 -189.03210 5.49883 2.13136 -188.57405 523.71015
7175.0000 -195.18012 -190.63193 4.54819 2.06868 -189.70853 480.36517
7180.0000 -194.34633 -189.04658 5.29975 2.07437 -189.60542 499.73820
7185.0000 -194.87464 -189.92417 4.95046 2.09432 -189.24441 479.23967
7190.0000 -194.58839 -190.06270 4.52569 2.06630 -189.75158 478.14718
7195.0000 -193.74496 -188.65556 5.08940 2.07021 -189.68071 480.06371
7200.0000 -194.32697 -188.46275 5.86423 2.16153 -188.02791 556.18366
7205.0000 -193.67572 -188.52292 5.15280 2.09555 -189.22214 524.20002
7210.0000 -194.98088 -190.06921 4.91168 2.08655 -189.38510 522.31492
7215.0000 -194.70542 -189.41601 5.28942 2.08624 -189.39067 506.61210
7220.0000 -194.64594 -189.68394 4.96200 2.07742 -189.55017 504.12677
7225.0000 -194.52361 -189.78447 4.73914 2.06179 -189.83318 483.92791
7230.0000 -193.14297 -188.16407 4.97889 2.10732 -189.00910 518.25942
7235.0000 -195.35967 -190.21599 5.14368 2.12494 -188.69023 533.41275
7240.0000 -194.64646 -189.86712 4.77934 2.04194 -190.19239 481.88712
7245.0000 -195.06351 -190.12214 4.94137 2.06256 -189.81926 496.16761
7250.0000 -194.69936 -189.64042 5.05894 2.06470 -189.78043 505.22543
FREEZING PROCESS: loop number 30 T-loop= 474.00000000000000
main_MD> interactions number 30 at Temperature= 474.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22366 -2.02741 1.67335
force_rgl> df(natom) -0.04504 0.13526 -0.70685
7255.0000 -195.39182 -190.33122 5.06061 2.04886 -190.06723 487.67047
7260.0000 -194.73057 -190.58654 4.14403 2.01790 -190.62747 468.55581
7265.0000 -194.82786 -190.50843 4.31944 2.00355 -190.88720 438.32284
7270.0000 -195.12781 -190.52481 4.60300 2.05019 -190.04318 488.80508
7275.0000 -194.71990 -190.01219 4.70771 2.00192 -190.91680 447.33994
7280.0000 -195.53290 -191.17428 4.35863 2.01522 -190.67612 463.19246
7285.0000 -195.16529 -191.16838 3.99691 1.99868 -190.97546 445.18655
7290.0000 -196.85267 -192.13235 4.72032 1.97515 -191.40132 447.67560
7295.0000 -195.90953 -191.54286 4.36667 1.93953 -192.04602 416.67770
7300.0000 -196.10160 -191.66961 4.43199 1.96862 -191.51942 433.90541
7305.0000 -195.25368 -190.89646 4.35722 1.97353 -191.43064 454.26951
7310.0000 -194.62897 -189.60885 5.02011 2.03215 -190.36955 503.02521
7315.0000 -195.57037 -190.32632 5.24405 2.04304 -190.17248 515.44332
7320.0000 -195.74965 -190.88111 4.86854 2.00354 -190.88749 475.92491
7325.0000 -195.61794 -190.92482 4.69312 2.01219 -190.73096 482.81672
7330.0000 -196.23058 -191.78745 4.44312 1.98733 -191.18076 468.30664
7335.0000 -196.82024 -192.55813 4.26211 1.95303 -191.80159 446.92251
7340.0000 -196.20518 -191.47897 4.72621 1.93477 -192.13208 422.89386
7345.0000 -195.40295 -191.49913 3.90382 1.96158 -191.64680 444.21879
7350.0000 -195.85139 -191.02678 4.82461 1.99416 -191.05725 462.94097
7355.0000 -195.87277 -190.76307 5.10970 2.00755 -190.81484 480.60326
7360.0000 -195.58284 -191.54077 4.04207 1.98852 -191.15924 480.11751
7365.0000 -197.20978 -192.77438 4.43540 1.94663 -191.91748 458.12597
7370.0000 -197.01480 -192.67955 4.33525 1.90819 -192.61325 435.85182
7375.0000 -197.38590 -192.09669 5.28921 1.93151 -192.19118 455.90163
7380.0000 -195.56086 -190.89937 4.66149 1.98900 -191.15059 501.72558
7385.0000 -196.47385 -191.27267 5.20118 1.95809 -191.71009 479.31285
7390.0000 -195.63375 -190.89846 4.73530 2.00501 -190.86089 514.09833
7395.0000 -196.39870 -191.61309 4.78560 1.99412 -191.05786 497.20131
7400.0000 -196.60021 -191.35128 5.24893 1.97679 -191.37166 475.63677
7405.0000 -196.02476 -191.17797 4.84679 1.97214 -191.45582 478.29527
7410.0000 -195.93384 -191.57668 4.35716 1.95188 -191.82237 459.36540
7415.0000 -195.88378 -191.58532 4.29845 1.95676 -191.73407 460.00829
7420.0000 -196.17301 -192.03885 4.13416 1.98162 -191.28412 482.99558
7425.0000 -196.56903 -190.49740 6.07163 1.96573 -191.57173 467.28570
7430.0000 -195.83805 -190.68417 5.15387 2.01387 -190.70041 521.48046
7435.0000 -195.98764 -191.72198 4.26566 1.96339 -191.61407 477.01660
7440.0000 -195.64641 -191.07573 4.57068 1.96306 -191.62013 479.63032
7445.0000 -196.27932 -191.17956 5.09977 2.00694 -190.82598 507.19619
7450.0000 -196.49175 -191.66199 4.82977 1.97289 -191.44225 486.37252
7455.0000 -196.32692 -192.04409 4.28283 1.95771 -191.71684 475.99390
7460.0000 -196.98308 -192.65617 4.32691 1.92946 -192.22818 450.38346
7465.0000 -196.53829 -192.46244 4.07585 1.91439 -192.50091 445.25899
7470.0000 -195.93570 -191.13321 4.80249 1.96186 -191.64183 481.82827
7475.0000 -196.72918 -192.07728 4.65190 1.98884 -191.15352 501.66995
7480.0000 -196.00900 -191.81360 4.19540 1.95541 -191.75854 455.56512
7485.0000 -196.23314 -191.48477 4.74837 1.97830 -191.34428 483.27889
7490.0000 -196.63188 -191.89694 4.73494 1.96314 -191.61872 480.95104
7495.0000 -196.75713 -191.42016 5.33697 1.96079 -191.66122 484.44250
7500.0000 -196.88052 -192.06643 4.81409 1.96797 -191.53114 481.54205
FREEZING PROCESS: loop number 31 T-loop= 449.00000000000000
main_MD> interactions number 31 at Temperature= 449.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31077 0.17607 -0.87108
force_rgl> df(natom) 2.88398 2.50822 2.07777
7505.0000 -197.11555 -192.96445 4.15111 1.90158 -192.73292 428.27158
7510.0000 -197.34087 -192.75881 4.58206 1.92114 -192.37881 450.67509
7515.0000 -196.57319 -192.22991 4.34329 1.90065 -192.74964 433.53718
7520.0000 -197.17637 -193.08932 4.08705 1.89491 -192.85349 428.29337
7525.0000 -196.83904 -192.38253 4.45651 1.90091 -192.74491 433.45301
7530.0000 -196.63715 -191.60306 5.03409 1.93546 -192.11959 451.00106
7535.0000 -196.69984 -192.34232 4.35752 1.92846 -192.24636 450.39117
7540.0000 -195.63509 -191.52430 4.11080 1.91872 -192.42258 451.65482
7545.0000 -196.39967 -191.70425 4.69542 1.94091 -192.02097 461.82076
7550.0000 -196.29889 -192.48806 3.81083 1.92653 -192.28125 452.52913
7555.0000 -197.39061 -193.81269 3.57792 1.87885 -193.14424 410.23088
7560.0000 -197.16366 -193.17171 3.99195 1.88658 -193.00430 421.53507
7565.0000 -197.22757 -193.08847 4.13910 1.88808 -192.97711 423.94348
7570.0000 -196.73121 -192.63855 4.09266 1.91512 -192.48777 443.13181
7575.0000 -196.84914 -192.03712 4.81202 1.93685 -192.09453 463.17100
7580.0000 -197.03435 -192.31316 4.72119 1.91749 -192.44485 442.13988
7585.0000 -197.42061 -193.88310 3.53751 1.86876 -193.32693 400.84303
7590.0000 -196.81563 -192.34994 4.46569 1.88743 -192.98894 420.47219
7595.0000 -196.78287 -192.05103 4.73184 1.93905 -192.05473 467.89119
7600.0000 -196.63471 -191.47080 5.16391 1.94884 -191.87752 466.77983
7605.0000 -197.10791 -191.80774 5.30017 1.98484 -191.22582 494.46609
7610.0000 -196.69787 -192.19875 4.49912 1.94771 -191.89800 469.86214
7615.0000 -196.47928 -193.01153 3.46775 1.92413 -192.32469 447.04893
7620.0000 -196.44526 -192.43036 4.01490 1.90083 -192.74645 436.04705
7625.0000 -197.75042 -193.97959 3.77083 1.88388 -193.05324 418.80809
7630.0000 -196.61301 -192.13624 4.47678 1.90033 -192.75541 430.92141
7635.0000 -196.86854 -192.78264 4.08590 1.93556 -192.11789 464.95473
7640.0000 -196.84845 -192.48191 4.36654 1.90030 -192.75609 429.17469
7645.0000 -197.09772 -192.03491 5.06281 1.90998 -192.58080 436.73760
7650.0000 -196.61759 -192.25909 4.35850 1.93047 -192.20986 454.97963
7655.0000 -197.25223 -192.93131 4.32092 1.92376 -192.33145 450.48337
7660.0000 -197.09278 -192.07657 5.01621 1.92306 -192.34405 443.67535
7665.0000 -197.46561 -192.96683 4.49878 1.91658 -192.46129 450.62129
7670.0000 -196.94261 -192.79760 4.14501 1.90714 -192.63215 442.55779
7675.0000 -196.73315 -192.68641 4.04674 1.91812 -192.43350 445.27144
7680.0000 -196.91102 -192.95443 3.95659 1.91935 -192.41122 445.80251
7685.0000 -197.21520 -193.05204 4.16317 1.90816 -192.61375 441.45200
7690.0000 -196.74687 -192.32472 4.42215 1.91810 -192.43385 454.39921
7695.0000 -196.41812 -191.90044 4.51769 1.94303 -191.98263 469.18692
7700.0000 -197.97661 -192.80716 5.16946 1.92187 -192.36559 448.28857
7705.0000 -197.24896 -192.55114 4.69782 1.89933 -192.77354 430.31363
7710.0000 -197.28650 -192.99348 4.29302 1.92473 -192.31388 446.52000
7715.0000 -197.13619 -192.59043 4.54575 1.94095 -192.02025 459.63189
7720.0000 -197.40760 -192.27607 5.13153 1.90440 -192.68177 433.50355
7725.0000 -197.37158 -192.11916 5.25243 1.93650 -192.10084 459.11953
7730.0000 -197.12197 -192.78687 4.33510 1.90763 -192.62335 441.89367
7735.0000 -197.17833 -193.69814 3.48019 1.89540 -192.84473 431.76813
7740.0000 -198.01761 -193.86345 4.15416 1.85639 -193.55072 395.08382
7745.0000 -197.53555 -192.52040 5.01515 1.88812 -192.97652 420.08477
7750.0000 -197.62660 -192.73933 4.88727 1.92036 -192.39295 449.37288
FREEZING PROCESS: loop number 32 T-loop= 424.00000000000000
main_MD> interactions number 32 at Temperature= 424.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45232 2.08361 2.86596
force_rgl> df(natom) 1.03550 1.01630 -0.39804
7755.0000 -196.99025 -192.52602 4.46423 1.89995 -192.76234 433.27818
7760.0000 -196.73492 -192.72872 4.00621 1.91003 -192.57991 438.99189
7765.0000 -197.12499 -192.84025 4.28474 1.88501 -193.03276 422.12285
7770.0000 -197.15236 -192.87433 4.27803 1.89410 -192.86827 422.24957
7775.0000 -196.95890 -192.88519 4.07371 1.91183 -192.54737 443.04329
7780.0000 -197.56057 -193.75038 3.81018 1.87500 -193.21399 413.84392
7785.0000 -196.67641 -192.53500 4.14141 1.85212 -193.62804 390.99918
7790.0000 -197.63625 -193.56062 4.07563 1.87537 -193.20722 411.37339
7795.0000 -197.42946 -193.72603 3.70343 1.85905 -193.50267 397.59294
7800.0000 -197.41237 -193.08621 4.32616 1.85537 -193.56919 392.45721
7805.0000 -197.12234 -193.01692 4.10542 1.86747 -193.35020 407.02814
7810.0000 -196.99564 -192.49814 4.49750 1.89523 -192.84770 429.74488
7815.0000 -196.91766 -192.61646 4.30120 1.90336 -192.70063 437.31154
7820.0000 -196.73219 -192.79436 3.93783 1.89545 -192.84379 428.64506
7825.0000 -197.09833 -193.31080 3.78754 1.87604 -193.19508 410.01965
7830.0000 -196.91937 -192.89446 4.02491 1.87998 -193.12372 406.88470
7835.0000 -197.30596 -193.26689 4.03907 1.88202 -193.08693 417.12686
7840.0000 -196.82415 -192.93303 3.89112 1.88220 -193.08356 418.26931
7845.0000 -197.22564 -192.81884 4.40681 1.91526 -192.48516 448.05465
7850.0000 -197.54357 -193.50508 4.03849 1.85778 -193.52550 397.29458
7855.0000 -197.70380 -193.21419 4.48961 1.86133 -193.46127 398.62742
7860.0000 -196.42535 -192.03138 4.39397 1.89968 -192.76715 434.15553
7865.0000 -196.99424 -193.15223 3.84201 1.91918 -192.41426 451.95475
7870.0000 -196.89569 -192.23266 4.66303 1.90413 -192.68675 442.02460
7875.0000 -197.30813 -192.52231 4.78582 1.88668 -193.00246 425.04970
7880.0000 -197.37842 -192.85974 4.51868 1.90988 -192.58264 437.50277
7885.0000 -197.28575 -193.06833 4.21742 1.87188 -193.27030 405.93309
7890.0000 -197.00996 -193.35953 3.65042 1.86742 -193.35114 408.83757
7895.0000 -196.92132 -192.95460 3.96672 1.87688 -193.17997 409.08632
7900.0000 -197.30078 -193.03686 4.26391 1.90652 -192.64338 437.92483
7905.0000 -197.20989 -193.72274 3.48715 1.85621 -193.55401 396.48915
7910.0000 -197.16661 -193.33896 3.82765 1.85622 -193.55373 396.00411
7915.0000 -197.10533 -192.94008 4.16525 1.87506 -193.21280 411.74692
7920.0000 -197.60306 -193.66166 3.94141 1.87823 -193.15552 415.89815
7925.0000 -197.33001 -193.69315 3.63685 1.86087 -193.46963 398.88566
7930.0000 -197.29912 -193.28731 4.01181 1.86824 -193.33635 407.53649
7935.0000 -196.73339 -192.32080 4.41259 1.87468 -193.21976 410.86229
7940.0000 -196.47747 -191.79435 4.68311 1.93493 -192.12921 460.83414
7945.0000 -196.34052 -192.14729 4.19323 1.93546 -192.11955 459.50053
7950.0000 -196.95972 -192.34765 4.61207 1.93337 -192.15744 452.12235
7955.0000 -196.69997 -192.79342 3.90655 1.93559 -192.11719 458.76464
7960.0000 -196.15824 -192.65481 3.50343 1.90769 -192.62232 438.56556
7965.0000 -197.37052 -192.63930 4.73122 1.89042 -192.93480 426.08695
7970.0000 -197.67826 -193.86893 3.80933 1.88342 -193.06156 419.70191
7975.0000 -197.06507 -192.82437 4.24069 1.87901 -193.14142 416.05047
7980.0000 -197.07654 -192.23005 4.84649 1.90041 -192.75408 436.07173
7985.0000 -197.39463 -193.02306 4.37157 1.90690 -192.63654 437.66259
7990.0000 -196.91909 -192.65569 4.26340 1.86424 -193.40870 401.45444
7995.0000 -197.77485 -193.38261 4.39223 1.89977 -192.76551 424.20434
8000.0000 -197.25631 -192.64109 4.61522 1.89649 -192.82494 429.08436
FREEZING PROCESS: loop number 33 T-loop= 399.00000000000000
main_MD> interactions number 33 at Temperature= 399.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15749 -1.88754 0.50077
force_rgl> df(natom) -1.12961 2.26461 0.03954
8005.0000 -197.79633 -193.71122 4.08511 1.89587 -192.83621 426.59563
8010.0000 -198.29710 -193.94307 4.35403 1.83746 -193.89341 379.38846
8015.0000 -197.69671 -193.40841 4.28830 1.84826 -193.69790 388.66947
8020.0000 -198.07511 -194.38580 3.68931 1.83716 -193.89883 378.08367
8025.0000 -197.76208 -193.34083 4.42125 1.83443 -193.94812 377.96557
8030.0000 -197.72997 -193.37435 4.35562 1.86908 -193.32109 410.86469
8035.0000 -197.41470 -193.69387 3.72083 1.84095 -193.83025 387.24808
8040.0000 -197.15175 -193.01320 4.13855 1.87361 -193.23900 411.38109
8045.0000 -197.87112 -193.82765 4.04347 1.86828 -193.33548 407.88284
8050.0000 -196.84708 -193.16780 3.67928 1.85439 -193.58699 398.26755
8055.0000 -197.90785 -193.76348 4.14437 1.85632 -193.55195 392.48534
8060.0000 -198.41506 -194.78862 3.62644 1.84190 -193.81303 384.67687
8065.0000 -197.53497 -194.28090 3.25408 1.80244 -194.52721 350.74228
8070.0000 -197.07341 -193.75653 3.31688 1.84002 -193.84709 376.23755
8075.0000 -196.86537 -192.98891 3.87646 1.87116 -193.28337 412.73744
8080.0000 -197.66444 -193.28454 4.37990 1.87049 -193.29551 409.04726
8085.0000 -197.25711 -193.13901 4.11810 1.88592 -193.01630 418.48137
8090.0000 -197.83914 -194.48935 3.34978 1.84800 -193.70265 388.15617
8095.0000 -197.31161 -193.76747 3.54414 1.83272 -193.97917 375.81645
8100.0000 -196.77627 -192.55032 4.22595 1.87172 -193.27327 408.86518
8105.0000 -197.04438 -193.01270 4.03168 1.87606 -193.19480 414.62582
8110.0000 -197.19453 -193.24683 3.94769 1.87684 -193.18064 414.60949
8115.0000 -197.23173 -193.43845 3.79329 1.86790 -193.34247 405.14915
8120.0000 -196.73896 -192.89426 3.84469 1.87024 -193.30009 404.70755
8125.0000 -196.98348 -192.83175 4.15172 1.87709 -193.17613 412.59733
8130.0000 -197.39413 -193.15979 4.23434 1.88980 -192.94597 422.24924
8135.0000 -197.97113 -193.49892 4.47222 1.85605 -193.55693 395.38519
8140.0000 -196.51935 -192.18962 4.32972 1.89199 -192.90641 421.35196
8145.0000 -196.91207 -192.57015 4.34192 1.89633 -192.82783 424.91547
8150.0000 -196.70126 -192.95459 3.74667 1.90890 -192.60034 437.04571
8155.0000 -197.19691 -193.13830 4.05862 1.87503 -193.21344 411.45805
8160.0000 -197.37433 -193.91319 3.46114 1.83823 -193.87942 378.31131
8165.0000 -197.91057 -193.78924 4.12133 1.83059 -194.01773 376.29117
8170.0000 -198.44264 -194.41478 4.02787 1.81908 -194.22607 365.04421
8175.0000 -196.83855 -192.82467 4.01389 1.86874 -193.32729 408.30882
8180.0000 -197.86326 -194.42186 3.44140 1.85059 -193.65578 392.87758
8185.0000 -198.41590 -194.71868 3.69723 1.79282 -194.70136 345.12382
8190.0000 -197.51031 -193.51793 3.99239 1.81046 -194.38208 358.99600
8195.0000 -197.06266 -192.79260 4.27005 1.88128 -193.10033 414.34915
8200.0000 -196.65046 -192.56465 4.08580 1.87415 -193.22931 412.20948
8205.0000 -197.63993 -193.65449 3.98544 1.88133 -193.09929 415.47771
8210.0000 -197.59673 -193.51133 4.08540 1.83613 -193.91745 380.29069
8215.0000 -196.99437 -192.12035 4.87402 1.89112 -192.92220 424.12245
8220.0000 -196.84700 -192.20653 4.64047 1.91931 -192.41201 444.03510
8225.0000 -196.97709 -193.06317 3.91392 1.91112 -192.56016 440.31441
8230.0000 -196.88460 -193.06085 3.82375 1.87301 -193.24994 409.82302
8235.0000 -196.81781 -192.81372 4.00409 1.86170 -193.45471 398.05402
8240.0000 -197.93443 -194.26215 3.67228 1.87289 -193.25206 407.74762
8245.0000 -198.01717 -194.47375 3.54342 1.82565 -194.10720 372.11617
8250.0000 -197.10818 -193.41568 3.69251 1.84734 -193.71449 388.23042
FREEZING PROCESS: loop number 34 T-loop= 374.00000000000000
main_MD> interactions number 34 at Temperature= 374.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.73917 -0.24869 -2.70330
force_rgl> df(natom) -3.25098 -0.14361 0.13350
8255.0000 -197.61163 -193.53125 4.08038 1.86819 -193.33725 402.51803
8260.0000 -198.23088 -194.51422 3.71666 1.83226 -193.98748 376.40155
8265.0000 -197.75848 -194.39199 3.36650 1.78623 -194.82051 335.98752
8270.0000 -196.55863 -193.05472 3.50391 1.85511 -193.57397 393.77150
8275.0000 -197.94666 -193.58144 4.36523 1.86570 -193.38220 400.48807
8280.0000 -197.72589 -194.57342 3.15247 1.83390 -193.95776 379.46589
8285.0000 -197.81328 -194.06646 3.74682 1.81477 -194.30408 359.83106
8290.0000 -197.44380 -193.46098 3.98282 1.84832 -193.69677 386.92049
8295.0000 -197.52557 -194.20400 3.32157 1.84573 -193.74363 388.83640
8300.0000 -197.91009 -194.32268 3.58740 1.81643 -194.27402 364.56109
8305.0000 -198.37941 -194.48575 3.89366 1.79778 -194.61145 349.15854
8310.0000 -197.92304 -195.13941 2.78364 1.79664 -194.63216 345.90775
8315.0000 -198.01961 -195.11274 2.90687 1.78541 -194.83549 338.45214
8320.0000 -197.56187 -194.39656 3.16532 1.77775 -194.97403 329.64885
8325.0000 -197.27129 -194.00629 3.26500 1.82414 -194.13438 367.91191
8330.0000 -197.91237 -194.50847 3.40390 1.81121 -194.36840 357.02844
8335.0000 -198.24753 -194.71154 3.53598 1.80155 -194.54336 349.50770
8340.0000 -198.31320 -194.49553 3.81767 1.79440 -194.67273 347.91654
8345.0000 -197.53670 -194.05425 3.48245 1.82794 -194.06563 373.53742
8350.0000 -197.75625 -193.97266 3.78359 1.82326 -194.15028 367.03191
8355.0000 -197.60410 -193.43132 4.17278 1.83970 -193.85273 380.98238
8360.0000 -196.97039 -193.20375 3.76664 1.87035 -193.29814 411.84784
8365.0000 -197.57406 -193.35731 4.21675 1.85690 -193.54158 398.15960
8370.0000 -197.88176 -193.83739 4.04436 1.86098 -193.46764 398.10898
8375.0000 -197.48400 -193.46026 4.02374 1.85700 -193.53970 395.15206
8380.0000 -196.92021 -192.96813 3.95209 1.85711 -193.53769 395.57287
8385.0000 -197.31246 -193.03834 4.27413 1.88340 -193.06185 416.73950
8390.0000 -197.69619 -194.44956 3.24662 1.83666 -193.90792 379.77810
8395.0000 -197.98564 -194.58805 3.39758 1.80261 -194.52407 351.99388
8400.0000 -198.34394 -194.52564 3.81831 1.79118 -194.73107 340.61306
8405.0000 -197.86147 -194.20020 3.66127 1.79712 -194.62350 349.69429
8410.0000 -197.42025 -193.67719 3.74307 1.83406 -193.95499 374.44176
8415.0000 -197.77762 -194.23024 3.54738 1.82330 -194.14968 368.34872
8420.0000 -198.14188 -193.92147 4.22041 1.80724 -194.44029 355.83408
8425.0000 -197.70646 -194.10679 3.59967 1.82321 -194.15131 367.46635
8430.0000 -197.60674 -194.24144 3.36530 1.81475 -194.30442 358.93648
8435.0000 -197.64181 -194.11913 3.52268 1.82293 -194.15627 369.33559
8440.0000 -197.96358 -194.35759 3.60599 1.81441 -194.31056 365.04085
8445.0000 -197.85833 -193.40142 4.45691 1.84032 -193.84161 385.00742
8450.0000 -197.67806 -192.93984 4.73822 1.90050 -192.75233 432.94955
8455.0000 -197.59917 -194.17040 3.42877 1.82009 -194.20765 364.15060
8460.0000 -197.69301 -193.95685 3.73616 1.82308 -194.15355 366.59115
8465.0000 -197.50176 -193.91833 3.58344 1.82869 -194.05204 371.18167
8470.0000 -198.39218 -194.16789 4.22429 1.81672 -194.26876 361.57817
8475.0000 -197.60281 -193.31206 4.29075 1.85093 -193.64960 389.77081
8480.0000 -197.12201 -193.37859 3.74342 1.84430 -193.76948 388.62069
8485.0000 -197.54836 -194.35571 3.19265 1.83455 -193.94594 380.98997
8490.0000 -197.70551 -194.42235 3.28316 1.81452 -194.30863 360.77333
8495.0000 -198.45838 -194.75722 3.70116 1.80317 -194.51390 353.20604
8500.0000 -198.12845 -194.56898 3.55947 1.78576 -194.82918 337.17917
FREEZING PROCESS: loop number 35 T-loop= 349.00000000000000
main_MD> interactions number 35 at Temperature= 349.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03094 0.60969 2.56004
force_rgl> df(natom) -0.54915 1.72901 0.91491
8505.0000 -198.22690 -194.43957 3.78733 1.79563 -194.65038 348.09033
8510.0000 -197.56741 -194.37519 3.19222 1.79812 -194.60537 347.55832
8515.0000 -197.61989 -194.37513 3.24476 1.80288 -194.51922 349.95906
8520.0000 -198.42131 -194.70924 3.71207 1.81422 -194.31391 360.11621
8525.0000 -197.97460 -194.16704 3.80757 1.80383 -194.50211 350.22117
8530.0000 -198.22289 -194.16096 4.06193 1.82459 -194.12628 369.55079
8535.0000 -198.32368 -194.89507 3.42861 1.79463 -194.66854 344.72218
8540.0000 -198.01774 -194.84200 3.17573 1.77515 -195.02108 326.32853
8545.0000 -198.59536 -195.50145 3.09390 1.76441 -195.21554 317.78201
8550.0000 -198.02103 -194.76396 3.25707 1.76078 -195.28128 317.18945
8555.0000 -197.96559 -194.68702 3.27857 1.77810 -194.96767 330.35582
8560.0000 -198.17032 -194.03093 4.13939 1.80800 -194.42659 350.79638
8565.0000 -197.72280 -194.87120 2.85160 1.80266 -194.52314 352.95307
8570.0000 -198.25922 -195.00713 3.25209 1.79332 -194.69222 343.56507
8575.0000 -197.80450 -194.62397 3.18053 1.79985 -194.57412 345.16053
8580.0000 -198.94635 -195.70125 3.24509 1.75825 -195.32699 315.41253
8585.0000 -198.75607 -195.37099 3.38508 1.74741 -195.52311 304.18145
8590.0000 -198.55062 -194.89656 3.65405 1.76592 -195.18818 320.07651
8595.0000 -198.16921 -194.48110 3.68811 1.79865 -194.59570 345.94327
8600.0000 -198.47922 -194.96578 3.51344 1.80729 -194.43942 353.11068
8605.0000 -197.71485 -194.14966 3.56519 1.78561 -194.83182 334.75823
8610.0000 -198.11281 -194.48070 3.63210 1.82138 -194.18447 362.45678
8615.0000 -197.82623 -194.51152 3.31471 1.80955 -194.39851 357.06813
8620.0000 -197.95490 -194.01906 3.93584 1.82511 -194.11682 369.54618
8625.0000 -198.02915 -194.63565 3.39350 1.80102 -194.55294 346.68972
8630.0000 -197.91195 -194.04400 3.86796 1.78975 -194.75690 340.73934
8635.0000 -198.10707 -194.70820 3.39887 1.80016 -194.56846 350.03142
8640.0000 -197.95660 -194.61012 3.34648 1.79749 -194.61680 350.04619
8645.0000 -198.29950 -194.94633 3.35317 1.78194 -194.89815 336.06807
8650.0000 -197.81358 -194.62733 3.18625 1.79633 -194.63772 348.69171
8655.0000 -197.81591 -194.61286 3.20305 1.80927 -194.40361 356.91610
8660.0000 -198.03174 -194.47356 3.55818 1.80939 -194.40136 357.40208
8665.0000 -198.59318 -195.31169 3.28149 1.78522 -194.83881 337.37554
8670.0000 -198.64640 -195.03600 3.61040 1.76382 -195.22616 319.69839
8675.0000 -198.30322 -194.75546 3.54776 1.78383 -194.86409 335.33936
8680.0000 -198.55757 -194.60483 3.95275 1.78499 -194.84306 337.63348
8685.0000 -197.61330 -194.08955 3.52374 1.79853 -194.59796 347.94400
8690.0000 -197.57215 -194.15804 3.41411 1.83923 -193.86135 386.59335
8695.0000 -198.30861 -194.59816 3.71044 1.79532 -194.65603 348.97534
8700.0000 -198.18425 -194.52456 3.65969 1.79952 -194.58005 349.45037
8705.0000 -197.80824 -194.28279 3.52545 1.80550 -194.47179 353.10883
8710.0000 -198.07427 -194.57756 3.49670 1.81772 -194.25061 363.84386
8715.0000 -198.05254 -193.85155 4.20099 1.81423 -194.31386 360.27828
8720.0000 -198.46776 -194.59609 3.87167 1.78403 -194.86045 334.53458
8725.0000 -198.28765 -194.76932 3.51833 1.77738 -194.98069 331.54792
8730.0000 -198.18220 -193.95328 4.22891 1.81539 -194.29286 358.35320
8735.0000 -198.22257 -194.43748 3.78509 1.82928 -194.04134 375.44963
8740.0000 -197.76336 -194.18767 3.57570 1.81418 -194.31475 360.16881
8745.0000 -198.07760 -194.60903 3.46857 1.81484 -194.30280 363.53209
8750.0000 -198.27006 -194.67001 3.60006 1.79254 -194.70642 343.50754
FREEZING PROCESS: loop number 36 T-loop= 324.00000000000000
main_MD> interactions number 36 at Temperature= 324.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.93911 -0.86060 0.71983
force_rgl> df(natom) 0.23533 1.03640 -0.98086
8755.0000 -198.51589 -195.37597 3.13993 1.78406 -194.85979 336.45263
8760.0000 -198.00671 -194.53021 3.47650 1.75023 -195.47217 308.39664
8765.0000 -198.06203 -195.03642 3.02561 1.79162 -194.72310 343.70720
8770.0000 -198.52446 -195.33509 3.18937 1.76241 -195.25177 316.55076
8775.0000 -198.12982 -195.31920 2.81062 1.74537 -195.56004 304.88582
8780.0000 -198.22081 -194.86729 3.35352 1.77965 -194.93963 332.88788
8785.0000 -198.22022 -194.99049 3.22973 1.78221 -194.89337 334.43517
8790.0000 -198.73297 -195.56755 3.16543 1.76558 -195.19425 319.47617
8795.0000 -197.95332 -194.46724 3.48608 1.77760 -194.97672 329.23684
8800.0000 -197.65056 -194.19828 3.45228 1.81142 -194.36471 357.59317
8805.0000 -198.80335 -195.63664 3.16671 1.77192 -195.07957 329.82854
8810.0000 -198.44521 -195.00705 3.43816 1.75125 -195.45367 310.93453
8815.0000 -198.57327 -194.89794 3.67533 1.77120 -195.09261 324.00779
8820.0000 -198.66742 -195.62363 3.04379 1.75998 -195.29571 315.23968
8825.0000 -198.31176 -195.42395 2.88782 1.75282 -195.42528 311.42121
8830.0000 -197.87983 -194.85358 3.02625 1.77002 -195.11390 322.82187
8835.0000 -198.09527 -194.85184 3.24343 1.78238 -194.89023 333.61288
8840.0000 -198.14688 -195.24153 2.90535 1.77395 -195.04279 332.60343
8845.0000 -198.47145 -195.31059 3.16087 1.76367 -195.22888 316.79796
8850.0000 -198.49134 -195.45709 3.03425 1.76533 -195.19894 320.21379
8855.0000 -198.88645 -195.85288 3.03357 1.74348 -195.59437 300.94177
8860.0000 -198.71096 -195.30863 3.40233 1.73857 -195.68323 296.81431
8865.0000 -198.57474 -195.46787 3.10687 1.76388 -195.22509 318.90885
8870.0000 -198.05285 -195.30807 2.74478 1.76146 -195.26898 316.09063
8875.0000 -197.89225 -195.32531 2.56693 1.76722 -195.16457 319.06154
8880.0000 -198.42761 -195.48997 2.93764 1.76822 -195.14663 323.30151
8885.0000 -197.85899 -194.69734 3.16164 1.76494 -195.20593 319.69964
8890.0000 -197.75413 -194.33130 3.42283 1.80724 -194.44031 355.98223
8895.0000 -198.37888 -194.60317 3.77571 1.79067 -194.74029 340.13743
8900.0000 -198.50744 -194.59424 3.91320 1.81440 -194.31070 361.29850
8905.0000 -198.23342 -195.09082 3.14260 1.78910 -194.76856 340.36590
8910.0000 -197.93207 -194.66098 3.27109 1.79251 -194.70700 342.36464
8915.0000 -197.89234 -194.57139 3.32095 1.80659 -194.45214 352.98187
8920.0000 -198.10967 -195.13767 2.97200 1.80091 -194.55488 350.18317
8925.0000 -198.81854 -195.13592 3.68262 1.77955 -194.94147 333.08976
8930.0000 -197.87256 -195.05188 2.82069 1.77252 -195.06869 327.22059
8935.0000 -198.31132 -194.84363 3.46769 1.78186 -194.89969 330.23034
8940.0000 -198.28892 -195.47414 2.81479 1.74759 -195.52000 304.76318
8945.0000 -198.46778 -195.62188 2.84590 1.75461 -195.39287 312.85445
8950.0000 -198.26582 -195.22519 3.04063 1.76261 -195.24801 317.33420
8955.0000 -198.69340 -195.62465 3.06875 1.75612 -195.36561 312.50705
8960.0000 -198.11588 -195.15850 2.95738 1.76414 -195.22039 317.45072
8965.0000 -197.74937 -194.58302 3.16635 1.78682 -194.80993 335.21681
8970.0000 -198.11743 -194.92078 3.19665 1.79681 -194.62904 346.76729
8975.0000 -197.94883 -194.70874 3.24009 1.78502 -194.84254 335.47838
8980.0000 -198.13412 -194.76307 3.37105 1.78121 -194.91138 333.12159
8985.0000 -198.02088 -194.84402 3.17686 1.77238 -195.07123 324.06312
8990.0000 -198.38621 -194.53131 3.85490 1.80932 -194.40263 356.74002
8995.0000 -198.68630 -194.74643 3.93987 1.80150 -194.54414 349.38969
9000.0000 -197.75346 -194.67204 3.08142 1.77976 -194.93777 329.54166
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 15.2450178 [s].
main_MD> Deallocating global variables
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