tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_40/freeze.log

2089 lines
206 KiB
Plaintext
Raw Blame History

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_40.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 = 40 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 40 4000
main_MD> Size of nv and nvoiz: 40 4000
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 = 40
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -2.9943034427968484E-002 -0.14269241598946536 -0.15391241733219516 initial drift of cluster / NP1 for coalescence
init> 0.35592944645063207 0.35373587814954005 0.31475104937666465 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7730806821967781E-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) 1.64367 3.82476 0.17180
force_rgl> df(natom) 0.23348 -0.71438 -1.60114
preparo> THERMALIZATION PROCESS AT 1236.1179718657356
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -79.560386665512013 9.6479660504052767 -89.208352715917286 7.1168516499597932E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1210.0000000000000
main_MD> interactions number 1 at Temperature= 1210.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68550 -3.47261 -0.08501
force_rgl> df(natom) -1.16931 0.87056 4.45255
5.0000 -90.20687 -83.46577 6.74110 3.19245 -80.66090 1559.02396
10.0000 -90.68796 -83.14956 7.53840 2.92947 -83.73676 1301.42217
15.0000 -90.31969 -85.98681 4.33289 2.83869 -84.79845 1245.87841
20.0000 -91.70486 -86.39639 5.30846 2.71265 -86.27269 1113.80973
25.0000 -91.97360 -85.25308 6.72052 2.76694 -85.63764 1135.23279
30.0000 -91.93829 -85.51699 6.42131 2.75066 -85.82804 1161.70269
35.0000 -90.70649 -84.61494 6.09155 2.76685 -85.63872 1130.87587
40.0000 -90.28503 -84.09967 6.18536 2.96692 -83.29867 1313.62056
45.0000 -92.18288 -84.43655 7.74632 2.82345 -84.97677 1194.05673
50.0000 -92.19010 -84.51807 7.67202 2.92685 -83.76737 1286.40381
55.0000 -91.46236 -85.17380 6.28855 2.81465 -85.07969 1240.32739
60.0000 -91.23270 -84.70270 6.53000 2.86774 -84.45867 1255.23214
65.0000 -91.37570 -85.16253 6.21317 2.86736 -84.46319 1274.76394
70.0000 -91.53170 -86.34083 5.19087 2.72699 -86.10498 1159.43648
75.0000 -92.28642 -86.85813 5.42829 2.69103 -86.52551 1125.55235
80.0000 -90.86300 -85.72012 5.14288 2.65757 -86.91687 1077.06443
85.0000 -91.07359 -86.40677 4.66682 2.71401 -86.25669 1162.75695
90.0000 -92.22606 -86.64581 5.58024 2.73279 -86.03705 1090.09502
95.0000 -92.19224 -86.87139 5.32085 2.65918 -86.89803 1092.35773
100.0000 -92.03533 -85.99501 6.04032 2.65363 -86.96292 1061.21697
105.0000 -91.39744 -86.35723 5.04021 2.72317 -86.14962 1155.12909
110.0000 -91.95622 -86.37980 5.57641 2.66998 -86.77173 1074.86187
115.0000 -91.97995 -87.07888 4.90107 2.67579 -86.70375 1120.38559
120.0000 -91.22977 -85.07151 6.15826 2.70412 -86.37246 1172.77872
125.0000 -92.56646 -86.43078 6.13568 2.79387 -85.32266 1183.02155
130.0000 -91.87424 -85.91850 5.95573 2.82642 -84.94200 1232.76939
135.0000 -93.81397 -87.44678 6.36718 2.72786 -86.09480 1166.32845
140.0000 -93.38215 -87.89772 5.48443 2.55682 -88.09526 1001.75540
145.0000 -90.75785 -85.98789 4.76995 2.68414 -86.60608 1077.03782
150.0000 -91.05283 -85.00804 6.04480 2.77139 -85.58561 1128.88729
155.0000 -91.72207 -84.47772 7.24434 2.86464 -84.49498 1263.30707
160.0000 -92.89189 -86.72780 6.16409 2.79835 -85.27035 1262.67323
165.0000 -91.85888 -86.03916 5.81972 2.67263 -86.74077 1069.09801
170.0000 -92.26049 -87.72893 4.53156 2.64382 -87.07767 1070.78522
175.0000 -91.11682 -85.06824 6.04858 2.71181 -86.28249 1175.99392
180.0000 -91.41490 -84.59810 6.81680 2.86561 -84.48359 1191.81001
185.0000 -90.79032 -84.31675 6.47357 2.88617 -84.24317 1262.26775
190.0000 -90.54569 -85.51319 5.03249 2.82927 -84.90865 1228.73108
195.0000 -92.35605 -85.62210 6.73394 2.81028 -85.13075 1232.43092
200.0000 -89.99365 -83.14224 6.85140 2.84314 -84.74639 1257.36740
205.0000 -90.83854 -84.70371 6.13483 2.88072 -84.30688 1315.69936
210.0000 -92.10422 -86.81861 5.28560 2.72831 -86.08946 1150.48555
215.0000 -92.85904 -87.39677 5.46228 2.66052 -86.88242 1117.62355
220.0000 -92.49655 -85.74260 6.75395 2.68529 -86.59266 1137.05744
225.0000 -90.46932 -83.95743 6.51189 2.77777 -85.51098 1220.08366
230.0000 -92.80262 -86.93395 5.86867 2.77375 -85.55807 1218.16056
235.0000 -91.14975 -84.63336 6.51639 2.78962 -85.37243 1187.08701
240.0000 -88.87524 -80.91711 7.95812 2.92718 -83.76349 1327.07452
245.0000 -90.72346 -82.34326 8.38020 3.04719 -82.35986 1435.54450
250.0000 -91.45692 -84.14319 7.31373 3.01154 -82.77679 1399.60310
FREEZING PROCESS: loop number 2 T-loop= 1185.0000000000000
main_MD> interactions number 2 at Temperature= 1185.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.23570 -2.63916 0.81711
force_rgl> df(natom) -0.75045 7.40634 2.61553
255.0000 -92.71117 -85.50622 7.20494 2.84132 -84.76772 1236.12293
260.0000 -93.33884 -87.67088 5.66795 2.71140 -86.28727 1114.81090
265.0000 -92.61565 -87.18470 5.43096 2.59404 -87.65998 1019.79160
270.0000 -92.52853 -86.40363 6.12491 2.64539 -87.05938 1115.40294
275.0000 -91.74778 -86.15110 5.59669 2.66266 -86.85735 1088.60729
280.0000 -93.25197 -86.58696 6.66502 2.71833 -86.20626 1167.07052
285.0000 -91.15672 -85.21656 5.94015 2.73000 -86.06977 1114.38693
290.0000 -90.27610 -83.62459 6.65151 2.79543 -85.30450 1177.89357
295.0000 -91.09974 -84.81506 6.28468 2.86656 -84.47251 1226.78108
300.0000 -90.59994 -85.50645 5.09349 2.78728 -85.39975 1203.33516
305.0000 -90.86692 -85.13603 5.73089 2.80579 -85.18334 1187.72970
310.0000 -92.79351 -86.98760 5.80591 2.74910 -85.84637 1127.08930
315.0000 -90.96905 -85.23183 5.73722 2.72912 -86.08000 1160.92880
320.0000 -89.38982 -81.82374 7.56608 2.94447 -83.56122 1305.31687
325.0000 -90.27340 -84.60017 5.67324 3.01235 -82.76729 1334.69242
330.0000 -90.89389 -83.86293 7.03096 2.84666 -84.70521 1251.22915
335.0000 -90.18382 -83.95282 6.23100 2.90221 -84.05551 1267.80911
340.0000 -91.15934 -85.15353 6.00582 2.78576 -85.41758 1203.65977
345.0000 -92.23299 -85.99234 6.24064 2.77057 -85.59527 1162.28138
350.0000 -92.81392 -86.73579 6.07813 2.72834 -86.08913 1150.80240
355.0000 -90.86009 -85.40134 5.45875 2.79908 -85.26171 1248.85666
360.0000 -93.69242 -88.06473 5.62769 2.70778 -86.32964 1092.64339
365.0000 -92.43549 -87.93229 4.50320 2.57996 -87.82456 1040.73182
370.0000 -92.83057 -87.44619 5.38438 2.64503 -87.06352 1041.70544
375.0000 -89.81213 -85.09173 4.72039 2.77158 -85.58335 1183.13808
380.0000 -92.10964 -84.69336 7.41628 2.81349 -85.09325 1197.34166
385.0000 -93.71405 -86.97462 6.73944 2.76424 -85.66925 1170.65323
390.0000 -92.02039 -86.14658 5.87381 2.59072 -87.69879 1059.81791
395.0000 -91.59105 -85.07535 6.51570 2.76021 -85.71643 1134.18941
400.0000 -90.40655 -84.92124 5.48531 2.88951 -84.20413 1282.03651
405.0000 -91.50111 -85.36520 6.13590 2.83839 -84.80199 1246.62390
410.0000 -90.65354 -85.50622 5.14732 2.81031 -85.13041 1264.38752
415.0000 -91.17348 -85.53954 5.63395 2.74585 -85.88429 1175.20295
420.0000 -91.71518 -85.37267 6.34250 2.79020 -85.36565 1213.66771
425.0000 -88.80494 -82.91920 5.88574 2.95224 -83.47043 1347.86544
430.0000 -93.00375 -86.38551 6.61824 2.82839 -84.91890 1194.81199
435.0000 -91.50474 -84.68352 6.82122 2.84676 -84.70405 1208.14249
440.0000 -91.74058 -86.54590 5.19468 2.74118 -85.93893 1126.75135
445.0000 -91.69334 -86.23127 5.46207 2.66771 -86.79824 1068.02848
450.0000 -90.57133 -83.86600 6.70533 2.86687 -84.46892 1323.39375
455.0000 -91.35264 -85.26977 6.08287 2.84625 -84.71006 1228.33345
460.0000 -92.30521 -85.09091 7.21431 2.81925 -85.02580 1205.43763
465.0000 -89.90388 -83.54237 6.36151 2.85527 -84.60453 1211.24621
470.0000 -92.44745 -86.41117 6.03628 2.87528 -84.37048 1298.08591
475.0000 -91.36439 -85.13390 6.23050 2.71564 -86.23767 1134.70876
480.0000 -93.31862 -87.21435 6.10427 2.71889 -86.19965 1089.07773
485.0000 -91.53401 -85.23007 6.30394 2.70644 -86.34531 1098.47299
490.0000 -90.83288 -84.12566 6.70722 2.91892 -83.86005 1330.00187
495.0000 -91.17292 -83.85133 7.32159 2.86357 -84.50752 1255.33969
500.0000 -93.11294 -86.02796 7.08498 2.75232 -85.80864 1167.38964
FREEZING PROCESS: loop number 3 T-loop= 1160.0000000000000
main_MD> interactions number 3 at Temperature= 1160.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.32780 2.68515 2.34745
force_rgl> df(natom) 0.21700 0.00345 0.41177
505.0000 -91.02039 -85.01222 6.00818 2.81323 -85.09629 1219.32686
510.0000 -92.09969 -86.60660 5.49309 2.77041 -85.59712 1198.77423
515.0000 -94.03925 -88.04551 5.99373 2.61178 -87.45244 1065.84517
520.0000 -92.73297 -87.35521 5.37776 2.59306 -87.67141 1013.49227
525.0000 -92.47060 -87.16184 5.30876 2.61334 -87.43423 1035.73775
530.0000 -92.23680 -85.65598 6.58082 2.72961 -86.07427 1131.00333
535.0000 -92.13874 -86.99250 5.14624 2.66544 -86.82480 1083.66613
540.0000 -92.11564 -86.35551 5.76013 2.75389 -85.79035 1186.52822
545.0000 -92.27451 -85.06289 7.21162 2.73986 -85.95441 1128.11281
550.0000 -91.89707 -85.96826 5.92881 2.77441 -85.55026 1185.48961
555.0000 -91.11734 -84.52820 6.58914 2.78656 -85.40818 1214.82444
560.0000 -89.87427 -83.01399 6.86028 2.93081 -83.72101 1315.41242
565.0000 -91.77473 -85.10647 6.66826 2.88012 -84.31391 1275.87100
570.0000 -90.38790 -85.26441 5.12349 2.92749 -83.75984 1259.77406
575.0000 -92.27614 -85.73324 6.54290 2.73289 -86.03596 1094.53548
580.0000 -90.59489 -86.62666 3.96823 2.71748 -86.21620 1075.61256
585.0000 -91.67801 -85.63681 6.04120 2.73816 -85.97429 1090.79899
590.0000 -90.48614 -84.69508 5.79106 2.76912 -85.61217 1178.79357
595.0000 -91.40995 -84.66486 6.74509 2.71510 -86.24400 1136.71193
600.0000 -91.79281 -84.84408 6.94873 2.87795 -84.33930 1303.61173
605.0000 -90.23066 -83.56943 6.66122 2.87936 -84.32275 1300.61392
610.0000 -89.60661 -83.20444 6.40216 2.93300 -83.69546 1254.82354
615.0000 -92.46655 -86.28261 6.18394 2.85116 -84.65265 1250.28548
620.0000 -91.59340 -85.88342 5.70998 2.82375 -84.97325 1190.83408
625.0000 -93.39693 -86.91357 6.48336 2.68222 -86.62861 1145.76579
630.0000 -91.46494 -83.97597 7.48897 2.77733 -85.51614 1195.81734
635.0000 -92.13063 -84.67256 7.45806 2.91765 -83.87501 1392.83532
640.0000 -91.29743 -86.41711 4.88032 2.73347 -86.02917 1155.35487
645.0000 -92.79571 -86.88655 5.90917 2.68618 -86.58224 1089.52652
650.0000 -90.70362 -84.79323 5.91039 2.76363 -85.67640 1210.69873
655.0000 -92.14620 -87.17488 4.97133 2.77749 -85.51431 1169.24995
660.0000 -92.95688 -86.89936 6.05752 2.62123 -87.34195 1065.34113
665.0000 -91.35078 -85.48493 5.86585 2.81874 -85.03180 1207.99166
670.0000 -91.82577 -85.38204 6.44374 2.81491 -85.07657 1226.30743
675.0000 -91.54615 -85.75996 5.78619 2.80841 -85.15260 1210.11837
680.0000 -91.59051 -86.48573 5.10478 2.73723 -85.98513 1134.70383
685.0000 -89.98682 -82.78677 7.20005 2.78036 -85.48076 1250.91556
690.0000 -88.59858 -83.11592 5.48266 2.91459 -83.91077 1298.98543
695.0000 -89.96959 -82.15545 7.81414 2.98503 -83.08692 1320.82243
700.0000 -89.27633 -81.90582 7.37051 2.98861 -83.04504 1270.95871
705.0000 -90.92713 -84.71129 6.21584 2.98180 -83.12471 1367.19845
710.0000 -90.89857 -84.79408 6.10449 2.77231 -85.57492 1156.37535
715.0000 -89.65529 -84.07791 5.57738 2.86318 -84.51204 1269.42821
720.0000 -91.35169 -85.83945 5.51224 2.79831 -85.27071 1184.48320
725.0000 -92.80111 -86.21469 6.58642 2.66058 -86.88166 1092.92980
730.0000 -93.46553 -87.68003 5.78550 2.60278 -87.55771 1092.18217
735.0000 -93.33889 -86.84138 6.49752 2.61766 -87.38366 1043.12720
740.0000 -91.92758 -85.03089 6.89669 2.78210 -85.46034 1251.40625
745.0000 -91.42084 -85.38367 6.03717 2.79420 -85.31883 1235.20190
750.0000 -92.56026 -87.93324 4.62702 2.65226 -86.97902 1033.30787
FREEZING PROCESS: loop number 4 T-loop= 1135.0000000000000
main_MD> interactions number 4 at Temperature= 1135.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.40637 -1.42581 -0.09237
force_rgl> df(natom) -3.47073 7.20933 -2.07566
755.0000 -91.35180 -85.44646 5.90533 2.67355 -86.72997 1136.03083
760.0000 -91.21911 -85.02041 6.19870 2.79477 -85.31214 1180.75361
765.0000 -91.97760 -86.62607 5.35154 2.74498 -85.89447 1122.24115
770.0000 -92.04636 -85.95865 6.08771 2.75310 -85.79959 1179.46751
775.0000 -93.37002 -87.77729 5.59273 2.65495 -86.94748 1093.57126
780.0000 -93.16238 -87.72168 5.44070 2.58194 -87.80150 998.37210
785.0000 -91.52191 -85.50912 6.01279 2.66898 -86.78338 1060.64310
790.0000 -91.15960 -85.55273 5.60687 2.78298 -85.45011 1196.20529
795.0000 -93.09191 -86.96891 6.12300 2.68523 -86.59339 1075.23181
800.0000 -91.54969 -84.92080 6.62889 2.69066 -86.52989 1130.67857
805.0000 -91.21712 -84.91478 6.30234 2.82945 -84.90651 1175.55970
810.0000 -91.44365 -85.59746 5.84619 2.72738 -86.10033 1070.94407
815.0000 -92.14169 -86.50175 5.63995 2.76350 -85.67790 1142.52301
820.0000 -90.33941 -85.64614 4.69327 2.76054 -85.71248 1139.38884
825.0000 -93.36221 -86.05056 7.31165 2.76569 -85.65234 1145.72304
830.0000 -91.69304 -84.39385 7.29919 2.82394 -84.97095 1202.14108
835.0000 -90.96908 -83.56315 7.40594 2.86190 -84.52702 1308.80060
840.0000 -91.39096 -85.69928 5.69167 2.86666 -84.47137 1232.52485
845.0000 -90.75758 -84.15652 6.60106 2.85986 -84.55089 1303.52622
850.0000 -91.31472 -84.91701 6.39771 2.86302 -84.51387 1289.61016
855.0000 -92.82260 -87.25986 5.56274 2.68424 -86.60489 1088.04819
860.0000 -92.33469 -87.44797 4.88672 2.58124 -87.80964 981.90630
865.0000 -93.29823 -87.36135 5.93688 2.64858 -87.02204 1099.84582
870.0000 -92.00737 -85.24016 6.76721 2.75603 -85.76531 1164.58659
875.0000 -91.42061 -85.82101 5.59961 2.77395 -85.55565 1221.09413
880.0000 -91.56327 -85.80547 5.75781 2.73553 -86.00504 1117.45695
885.0000 -92.69030 -86.18012 6.51018 2.83184 -84.87863 1243.30562
890.0000 -91.73803 -86.41396 5.32408 2.67103 -86.75942 1097.84702
895.0000 -93.23881 -87.81753 5.42128 2.68819 -86.55873 1077.02274
900.0000 -92.15606 -87.14056 5.01550 2.67297 -86.73677 1114.20466
905.0000 -91.44787 -85.44906 5.99881 2.72353 -86.14545 1135.34976
910.0000 -92.86051 -86.81153 6.04898 2.76318 -85.68170 1175.43444
915.0000 -92.88572 -87.52113 5.36459 2.70482 -86.36421 1118.91791
920.0000 -91.74570 -85.94570 5.80001 2.67286 -86.73799 1099.88694
925.0000 -91.56789 -85.60336 5.96452 2.73677 -85.99057 1138.57117
930.0000 -89.64971 -84.41540 5.23431 2.79433 -85.31731 1189.59315
935.0000 -92.08458 -85.90812 6.17645 2.88451 -84.26262 1294.19528
940.0000 -93.14177 -86.30704 6.83473 2.71424 -86.25410 1147.15669
945.0000 -91.57143 -85.36269 6.20874 2.77194 -85.57916 1196.83133
950.0000 -92.27705 -86.11620 6.16085 2.78447 -85.43262 1185.04896
955.0000 -93.71126 -88.65901 5.05225 2.61276 -87.44103 1064.28943
960.0000 -92.25403 -87.42316 4.83087 2.53904 -88.30318 1011.13823
965.0000 -93.14105 -87.65560 5.48544 2.66157 -86.87012 1075.57892
970.0000 -92.82899 -87.47549 5.35350 2.58787 -87.73204 1022.87223
975.0000 -92.40635 -86.24835 6.15801 2.61951 -87.36199 1040.06176
980.0000 -91.74976 -86.69262 5.05714 2.65643 -86.93021 1100.92192
985.0000 -93.13941 -87.63166 5.50775 2.66539 -86.82542 1079.18531
990.0000 -91.84871 -86.97588 4.87283 2.65736 -86.91930 1081.25187
995.0000 -92.96548 -86.97021 5.99526 2.63328 -87.20097 1062.16808
1000.0000 -92.08900 -85.60597 6.48303 2.80433 -85.20040 1171.04136
FREEZING PROCESS: loop number 5 T-loop= 1110.0000000000000
main_MD> interactions number 5 at Temperature= 1110.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60463 0.83314 2.71939
force_rgl> df(natom) 6.50817 -0.58825 0.56200
1005.0000 -91.52965 -86.00295 5.52670 2.72297 -86.15194 1142.47026
1010.0000 -91.48554 -86.27600 5.20955 2.71456 -86.25034 1103.96519
1015.0000 -94.18095 -88.51544 5.66551 2.58838 -87.72611 967.82067
1020.0000 -92.23712 -85.77671 6.46041 2.55600 -88.10481 989.55251
1025.0000 -91.88022 -86.23360 5.64662 2.76835 -85.62124 1186.86271
1030.0000 -92.10600 -87.07223 5.03377 2.66646 -86.81295 1090.54147
1035.0000 -92.89343 -87.41714 5.47629 2.63065 -87.23173 1109.51735
1040.0000 -93.71529 -88.74354 4.97175 2.56058 -88.05125 993.41443
1045.0000 -92.74658 -87.58138 5.16520 2.58302 -87.78881 1018.95858
1050.0000 -93.00502 -86.80415 6.20086 2.58091 -87.81355 1046.78895
1055.0000 -92.94295 -87.85970 5.08325 2.61191 -87.45096 1061.91056
1060.0000 -93.19627 -87.78884 5.40743 2.58894 -87.71953 1031.03864
1065.0000 -91.59938 -85.67673 5.92264 2.68613 -86.58283 1092.10112
1070.0000 -92.59611 -87.82100 4.77511 2.68721 -86.57019 1096.32600
1075.0000 -94.47353 -86.94927 7.52426 2.54411 -88.24386 991.32488
1080.0000 -92.66914 -88.05094 4.61820 2.65736 -86.91934 1082.50837
1085.0000 -92.16783 -87.45004 4.71778 2.55238 -88.14718 1053.13553
1090.0000 -91.86987 -86.01842 5.85145 2.72251 -86.15739 1158.93872
1095.0000 -91.47178 -85.41295 6.05883 2.73616 -85.99770 1041.88974
1100.0000 -93.02064 -88.33008 4.69056 2.68719 -86.57048 1061.20325
1105.0000 -90.24147 -86.73283 3.50865 2.62658 -87.27930 1062.22633
1110.0000 -91.28852 -87.08295 4.20556 2.67800 -86.67794 1079.40642
1115.0000 -92.12755 -87.28344 4.84411 2.66788 -86.79631 1079.52111
1120.0000 -93.37313 -88.55622 4.81691 2.54467 -88.23732 1014.74368
1125.0000 -93.21723 -87.42451 5.79272 2.58230 -87.79720 1108.76067
1130.0000 -91.83493 -85.96323 5.87170 2.75020 -85.83342 1162.96626
1135.0000 -92.74257 -87.34229 5.40028 2.72269 -86.15522 1132.91809
1140.0000 -92.59284 -87.16333 5.42951 2.60724 -87.50550 1079.85036
1145.0000 -91.84552 -85.37905 6.46647 2.68300 -86.61949 1144.93479
1150.0000 -92.25648 -86.26549 5.99099 2.77232 -85.57471 1191.33240
1155.0000 -93.02126 -86.07672 6.94453 2.66869 -86.78685 1069.41145
1160.0000 -91.26324 -84.69582 6.56742 2.77707 -85.51922 1186.71110
1165.0000 -92.79418 -87.44759 5.34659 2.75555 -85.77088 1158.87438
1170.0000 -91.84317 -86.69384 5.14934 2.66981 -86.77370 1144.14480
1175.0000 -93.75142 -88.36699 5.38443 2.66780 -86.79721 1115.70832
1180.0000 -92.13151 -86.58938 5.54212 2.60105 -87.57797 1048.96954
1185.0000 -91.08474 -84.36737 6.71737 2.80788 -85.15878 1201.32896
1190.0000 -91.05821 -84.74087 6.31735 2.85509 -84.60665 1253.99466
1195.0000 -92.45711 -85.63963 6.81748 2.78384 -85.43999 1200.39731
1200.0000 -93.64900 -87.98727 5.66172 2.63686 -87.15913 1058.80544
1205.0000 -92.38832 -88.51230 3.87602 2.46390 -89.18200 918.79413
1210.0000 -92.02912 -87.13782 4.89130 2.55630 -88.10134 1021.69262
1215.0000 -92.31708 -86.88579 5.43129 2.63610 -87.16793 1071.98401
1220.0000 -92.83486 -87.14555 5.68931 2.65216 -86.98019 1111.96085
1225.0000 -94.47660 -89.97390 4.50270 2.50266 -88.72874 934.41891
1230.0000 -92.99304 -87.46387 5.52916 2.48240 -88.96573 922.99848
1235.0000 -92.21572 -87.06684 5.14888 2.58131 -87.80885 993.08297
1240.0000 -92.95668 -87.44152 5.51516 2.57760 -87.85220 1026.53051
1245.0000 -90.37846 -85.84524 4.53321 2.69785 -86.44574 1136.74946
1250.0000 -92.88918 -86.51177 6.37741 2.70850 -86.32118 1106.95339
FREEZING PROCESS: loop number 6 T-loop= 1085.0000000000000
main_MD> interactions number 6 at Temperature= 1085.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.77295 1.55724 -0.17773
force_rgl> df(natom) -4.80645 -4.20370 0.27245
1255.0000 -90.92567 -86.03960 4.88608 2.68932 -86.54555 1122.29770
1260.0000 -91.55501 -86.29472 5.26029 2.69101 -86.52579 1120.87101
1265.0000 -91.53785 -86.27088 5.26698 2.70351 -86.37956 1131.67916
1270.0000 -89.85035 -84.75219 5.09816 2.75672 -85.75721 1095.27683
1275.0000 -92.14831 -85.81513 6.33317 2.70316 -86.38359 1090.54874
1280.0000 -91.46955 -83.88508 7.58447 2.85614 -84.59438 1238.72851
1285.0000 -91.80643 -86.80436 5.00208 2.82138 -85.00091 1209.96481
1290.0000 -92.90894 -86.93801 5.97093 2.74453 -85.89975 1157.94961
1295.0000 -92.93264 -88.06597 4.86667 2.61546 -87.40937 1054.16127
1300.0000 -93.75281 -88.58596 5.16685 2.53066 -88.40120 967.20124
1305.0000 -93.05034 -88.17310 4.87724 2.51371 -88.59946 964.86294
1310.0000 -92.65022 -88.14993 4.50029 2.57339 -87.90141 1040.90169
1315.0000 -92.87679 -88.40137 4.47542 2.53599 -88.33885 997.65082
1320.0000 -93.11805 -87.91425 5.20380 2.48533 -88.93135 947.09996
1325.0000 -90.73752 -85.45368 5.28384 2.69941 -86.42748 1089.81597
1330.0000 -91.55300 -86.47308 5.07992 2.71186 -86.28187 1084.90853
1335.0000 -93.43040 -87.67958 5.75082 2.65878 -86.90273 1077.34842
1340.0000 -92.28978 -87.70219 4.58760 2.61091 -87.46263 1021.35560
1345.0000 -94.39008 -87.65166 6.73842 2.64171 -87.10236 1067.77725
1350.0000 -93.24829 -86.51550 6.73279 2.65734 -86.91951 1054.68959
1355.0000 -91.63093 -86.53934 5.09159 2.66980 -86.77389 1074.93620
1360.0000 -92.27177 -86.21981 6.05197 2.68741 -86.56790 1122.61307
1365.0000 -92.76485 -86.66502 6.09984 2.72770 -86.09662 1135.82409
1370.0000 -91.51005 -85.45745 6.05259 2.74649 -85.87690 1177.58066
1375.0000 -93.11440 -86.58686 6.52754 2.73977 -85.95545 1160.00588
1380.0000 -91.57986 -86.29795 5.28191 2.61224 -87.44707 1042.03768
1385.0000 -92.52407 -87.64371 4.88036 2.61566 -87.40706 1065.04455
1390.0000 -93.16953 -86.90972 6.25981 2.66102 -86.87653 1089.66131
1395.0000 -93.06199 -84.12185 8.94014 2.74640 -85.87794 1204.16333
1400.0000 -92.47332 -86.66981 5.80351 2.76054 -85.71255 1191.65352
1405.0000 -93.27561 -86.91742 6.35819 2.72215 -86.16159 1192.08559
1410.0000 -90.82149 -85.68184 5.13965 2.71582 -86.23561 1122.84593
1415.0000 -93.67738 -87.29679 6.38059 2.64917 -87.01513 1056.05174
1420.0000 -93.28051 -87.37386 5.90665 2.58612 -87.75255 1016.74491
1425.0000 -94.06850 -87.82342 6.24508 2.61544 -87.40962 1050.67164
1430.0000 -92.35942 -86.92158 5.43783 2.62012 -87.35485 1051.02522
1435.0000 -91.07684 -85.68091 5.39593 2.68453 -86.60155 1083.92861
1440.0000 -92.75744 -87.00282 5.75462 2.70545 -86.35688 1138.03343
1445.0000 -91.59887 -86.21204 5.38684 2.63381 -87.19476 1079.61203
1450.0000 -90.48838 -84.53930 5.94908 2.80459 -85.19730 1206.03772
1455.0000 -91.76583 -86.03782 5.72801 2.80207 -85.22681 1205.66599
1460.0000 -93.58107 -87.94690 5.63417 2.58231 -87.79717 1018.41078
1465.0000 -92.18238 -87.42100 4.76138 2.59203 -87.68346 1002.22331
1470.0000 -91.95724 -86.97316 4.98407 2.58138 -87.80796 998.97169
1475.0000 -93.81837 -87.86306 5.95532 2.68596 -86.58487 1072.27465
1480.0000 -92.26373 -87.51797 4.74576 2.64024 -87.11961 1057.01425
1485.0000 -92.93368 -86.86081 6.07287 2.63121 -87.22515 1038.89358
1490.0000 -92.01973 -86.86690 5.15283 2.65838 -86.90738 1023.19460
1495.0000 -91.75958 -85.47655 6.28302 2.70897 -86.31565 1153.09962
1500.0000 -91.17431 -85.71685 5.45746 2.84231 -84.75618 1223.80097
FREEZING PROCESS: loop number 7 T-loop= 1060.0000000000000
main_MD> interactions number 7 at Temperature= 1060.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.48887 0.67687 0.98915
force_rgl> df(natom) -3.83114 -0.76539 -0.18392
1505.0000 -93.30964 -86.99630 6.31334 2.76360 -85.67675 1184.15509
1510.0000 -92.99163 -87.32838 5.66325 2.60066 -87.58248 1050.16325
1515.0000 -93.21541 -87.68585 5.52956 2.60219 -87.56464 1036.06071
1520.0000 -91.88166 -85.94453 5.93713 2.66710 -86.80544 1102.85294
1525.0000 -92.18808 -85.34301 6.84508 2.70836 -86.32284 1120.91439
1530.0000 -93.77203 -88.51940 5.25262 2.72421 -86.13741 1205.69698
1535.0000 -92.91307 -87.01896 5.89411 2.65504 -86.94652 1099.36772
1540.0000 -91.64514 -85.21806 6.42708 2.71018 -86.30158 1143.44578
1545.0000 -91.35365 -84.75074 6.60291 2.84948 -84.67231 1218.06586
1550.0000 -89.76349 -84.60287 5.16062 2.89281 -84.16549 1307.08114
1555.0000 -91.70518 -86.29212 5.41306 2.83281 -84.86722 1215.20515
1560.0000 -92.62698 -86.72764 5.89934 2.73691 -85.98889 1177.44814
1565.0000 -92.10824 -86.03868 6.06956 2.70119 -86.40665 1151.08929
1570.0000 -93.28778 -87.06681 6.22098 2.69034 -86.53357 1095.27652
1575.0000 -92.10879 -86.46559 5.64319 2.65804 -86.91135 1090.17327
1580.0000 -91.90503 -86.36867 5.53635 2.76548 -85.65480 1256.07732
1585.0000 -93.90793 -87.64627 6.26166 2.63264 -87.20841 1051.80806
1590.0000 -92.68856 -86.93029 5.75827 2.61907 -87.36720 1044.47418
1595.0000 -92.45551 -87.43012 5.02539 2.67285 -86.73813 1072.02087
1600.0000 -93.21609 -87.87145 5.34464 2.64038 -87.11794 1070.43003
1605.0000 -94.28127 -89.58825 4.69302 2.55111 -88.16205 1002.49128
1610.0000 -93.63741 -88.85157 4.78583 2.48597 -88.92392 942.17493
1615.0000 -93.85917 -87.48383 6.37534 2.55148 -88.15765 1011.41098
1620.0000 -91.35903 -86.63345 4.72558 2.65872 -86.90341 1103.14100
1625.0000 -91.87486 -86.03237 5.84249 2.67689 -86.69093 1099.11780
1630.0000 -93.86244 -88.52623 5.33621 2.64749 -87.03473 1066.26256
1635.0000 -94.23196 -89.52770 4.70426 2.45322 -89.30698 927.64832
1640.0000 -93.19414 -87.70681 5.48732 2.51307 -88.60692 985.93117
1645.0000 -93.32563 -87.90351 5.42212 2.62507 -87.29705 1047.37645
1650.0000 -93.95857 -87.96135 5.99722 2.57467 -87.88648 999.99661
1655.0000 -92.08833 -87.34379 4.74455 2.61261 -87.44273 1058.79526
1660.0000 -93.79555 -87.54795 6.24760 2.62164 -87.33707 1050.59655
1665.0000 -91.64856 -86.21067 5.43789 2.69405 -86.49020 1118.06936
1670.0000 -90.62420 -85.19529 5.42890 2.75113 -85.82264 1135.47809
1675.0000 -92.59061 -86.80322 5.78739 2.70295 -86.38611 1134.82636
1680.0000 -91.65232 -85.99414 5.65817 2.75001 -85.83568 1147.28179
1685.0000 -93.38078 -87.25875 6.12202 2.71617 -86.23146 1100.18909
1690.0000 -92.97245 -88.04510 4.92735 2.64883 -87.01915 1121.07628
1695.0000 -93.60141 -89.19723 4.40418 2.50908 -88.65359 943.35037
1700.0000 -93.31255 -88.38497 4.92758 2.51005 -88.64232 965.91009
1705.0000 -92.82797 -87.66613 5.16185 2.54913 -88.18514 1003.81552
1710.0000 -91.27948 -84.98838 6.29110 2.75719 -85.75175 1185.31200
1715.0000 -93.09242 -87.69549 5.39692 2.68913 -86.54776 1100.24820
1720.0000 -93.18525 -88.33835 4.84690 2.56665 -87.98030 1019.75853
1725.0000 -93.81560 -88.19236 5.62324 2.56223 -88.03203 1008.74174
1730.0000 -91.94380 -86.24296 5.70084 2.63866 -87.13800 1107.08701
1735.0000 -91.71292 -86.33540 5.37752 2.66731 -86.80295 1080.98942
1740.0000 -92.24096 -87.64422 4.59674 2.69792 -86.44491 1123.18207
1745.0000 -92.93927 -88.01266 4.92661 2.59630 -87.63349 1075.88440
1750.0000 -93.30498 -88.34127 4.96371 2.47130 -89.09545 920.06870
FREEZING PROCESS: loop number 8 T-loop= 1035.0000000000000
main_MD> interactions number 8 at Temperature= 1035.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50790 -2.95788 -6.41567
force_rgl> df(natom) 4.02495 3.90157 0.24378
1755.0000 -93.37881 -87.72563 5.65319 2.57334 -87.90208 1014.39677
1760.0000 -93.38353 -87.85903 5.52450 2.56282 -88.02505 1038.10824
1765.0000 -93.92516 -88.96680 4.95836 2.44077 -89.45259 917.74174
1770.0000 -93.33640 -88.69928 4.63711 2.47769 -89.02072 951.54602
1775.0000 -94.52226 -89.12734 5.39493 2.41988 -89.69685 928.09314
1780.0000 -92.79996 -87.97465 4.82531 2.52667 -88.44794 960.83793
1785.0000 -93.09410 -87.53362 5.56048 2.53455 -88.35577 960.07556
1790.0000 -93.30175 -87.29921 6.00254 2.57664 -87.86346 1043.92273
1795.0000 -92.34731 -86.05087 6.29643 2.65166 -86.98605 1038.18548
1800.0000 -93.81181 -87.74643 6.06537 2.58498 -87.76584 1003.90392
1805.0000 -92.29773 -88.07346 4.22428 2.55338 -88.13554 1030.24051
1810.0000 -93.67972 -88.52578 5.15394 2.50345 -88.71950 971.42867
1815.0000 -94.02873 -88.76068 5.26805 2.54465 -88.23758 1018.49802
1820.0000 -93.28175 -87.20831 6.07345 2.53102 -88.39707 982.84812
1825.0000 -92.74022 -88.28326 4.45696 2.54369 -88.24886 993.06299
1830.0000 -93.86558 -88.82233 5.04325 2.51726 -88.55790 947.36483
1835.0000 -92.72768 -87.20730 5.52038 2.57570 -87.87445 1028.13920
1840.0000 -92.56953 -87.80105 4.76847 2.62068 -87.34830 1039.17189
1845.0000 -94.06587 -88.67224 5.39363 2.54145 -88.27508 998.67360
1850.0000 -92.75524 -87.92762 4.82762 2.50519 -88.69910 955.92855
1855.0000 -94.10736 -87.52116 6.58620 2.63308 -87.20333 1107.15559
1860.0000 -93.14099 -87.61032 5.53067 2.63979 -87.12480 1083.49909
1865.0000 -94.83418 -89.82532 5.00886 2.55558 -88.10976 1033.55375
1870.0000 -93.93820 -89.19664 4.74156 2.47844 -89.01196 980.54148
1875.0000 -92.47444 -87.83331 4.64113 2.51303 -88.60741 944.45894
1880.0000 -93.47792 -88.36745 5.11047 2.54903 -88.18636 995.78588
1885.0000 -94.40432 -89.98323 4.42109 2.50063 -88.75251 952.73707
1890.0000 -93.91213 -89.31630 4.59583 2.47188 -89.08875 952.79982
1895.0000 -94.00038 -89.04561 4.95478 2.45667 -89.26665 900.20827
1900.0000 -95.51158 -90.87456 4.63702 2.37230 -90.25338 880.81923
1905.0000 -95.16588 -90.53549 4.63040 2.34211 -90.60656 852.46444
1910.0000 -93.32248 -88.71425 4.60822 2.47704 -89.02834 944.11302
1915.0000 -93.19698 -88.66151 4.53547 2.50020 -88.75743 957.69211
1920.0000 -93.70538 -88.61108 5.09430 2.47714 -89.02720 913.64070
1925.0000 -93.98114 -88.81301 5.16814 2.53940 -88.29899 974.94400
1930.0000 -92.66365 -88.94483 3.71882 2.47074 -89.10200 913.32728
1935.0000 -94.81589 -90.43733 4.37855 2.47891 -89.00650 957.97792
1940.0000 -94.74642 -89.95519 4.79123 2.37890 -90.17617 851.58437
1945.0000 -93.20656 -89.47917 3.72739 2.37216 -90.25507 865.14854
1950.0000 -93.82508 -89.18036 4.64472 2.43826 -89.48194 927.22744
1955.0000 -92.51088 -87.64420 4.86668 2.59083 -87.69750 1022.88963
1960.0000 -94.46408 -90.26662 4.19746 2.47533 -89.04839 960.75159
1965.0000 -94.05575 -89.49447 4.56128 2.37661 -90.20303 871.07097
1970.0000 -92.80040 -88.60566 4.19474 2.49188 -88.85482 936.00373
1975.0000 -91.26941 -85.28201 5.98739 2.63318 -87.20214 1044.64162
1980.0000 -91.72827 -86.91297 4.81529 2.70276 -86.38835 1095.35161
1985.0000 -93.10687 -88.33052 4.77635 2.63322 -87.20166 1123.72272
1990.0000 -92.85809 -88.46560 4.39250 2.59123 -87.69281 1061.94355
1995.0000 -93.26945 -87.31287 5.95658 2.62151 -87.33867 1043.42287
2000.0000 -92.44919 -86.90217 5.54701 2.60091 -87.57961 1023.34240
FREEZING PROCESS: loop number 9 T-loop= 1010.0000000000000
main_MD> interactions number 9 at Temperature= 1010.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.45911 -0.77676 -1.18491
force_rgl> df(natom) 1.28992 1.21909 2.63041
2005.0000 -92.55044 -86.33345 6.21699 2.65517 -86.94492 1071.35161
2010.0000 -92.11426 -86.99488 5.11938 2.66530 -86.82651 1083.63851
2015.0000 -93.15595 -87.82558 5.33037 2.53474 -88.35351 1028.80562
2020.0000 -93.20780 -88.26044 4.94736 2.53892 -88.30457 971.12767
2025.0000 -92.88092 -88.26636 4.61456 2.60028 -87.58693 1004.81763
2030.0000 -92.37280 -86.62850 5.74430 2.55895 -88.07037 1031.19317
2035.0000 -91.83492 -85.94078 5.89414 2.68148 -86.63719 1090.43291
2040.0000 -93.31568 -88.34998 4.96571 2.56265 -88.02706 1024.40680
2045.0000 -95.03381 -89.51574 5.51807 2.45504 -89.28573 945.69466
2050.0000 -94.11896 -89.17764 4.94132 2.42146 -89.67839 908.70337
2055.0000 -93.59541 -89.10538 4.49002 2.47262 -89.08002 914.20407
2060.0000 -94.66247 -90.67984 3.98263 2.32526 -90.80354 864.65097
2065.0000 -93.65036 -88.68829 4.96207 2.43800 -89.48499 917.99593
2070.0000 -93.04058 -87.39825 5.64233 2.60372 -87.54674 1048.96135
2075.0000 -91.17485 -86.42587 4.74898 2.66000 -86.88847 1103.78187
2080.0000 -93.22249 -87.45452 5.76797 2.69758 -86.44886 1084.51564
2085.0000 -94.13155 -88.70016 5.43138 2.51219 -88.61720 995.97750
2090.0000 -94.29782 -87.94463 6.35319 2.52604 -88.45524 990.30402
2095.0000 -93.56130 -88.03930 5.52200 2.48438 -88.94248 974.53869
2100.0000 -92.53835 -86.16598 6.37237 2.68613 -86.58284 1125.62323
2105.0000 -93.71370 -87.24847 6.46523 2.69700 -86.45572 1107.78055
2110.0000 -91.52908 -86.94751 4.58157 2.71552 -86.23905 1050.01898
2115.0000 -93.08364 -87.46268 5.62096 2.66632 -86.81449 1090.24122
2120.0000 -93.63881 -88.55548 5.08333 2.58295 -87.78960 1025.76051
2125.0000 -93.27481 -88.65668 4.61813 2.57534 -87.87864 1089.39977
2130.0000 -93.62627 -88.49993 5.12634 2.47640 -89.03582 967.96115
2135.0000 -92.68065 -88.68607 3.99458 2.49708 -88.79397 936.58624
2140.0000 -93.54107 -88.18868 5.35239 2.52627 -88.45262 957.20182
2145.0000 -92.60719 -86.91107 5.69612 2.59947 -87.59636 1042.62172
2150.0000 -93.46217 -87.64114 5.82102 2.63910 -87.13287 1079.55490
2155.0000 -93.15571 -87.99765 5.15806 2.62183 -87.33484 1069.55758
2160.0000 -94.28207 -89.78214 4.49993 2.45217 -89.31925 923.95444
2165.0000 -94.79668 -89.83183 4.96485 2.34411 -90.58318 824.82970
2170.0000 -92.88645 -88.87930 4.00715 2.46237 -89.20000 936.49220
2175.0000 -93.53477 -88.55665 4.97812 2.51048 -88.63726 978.18161
2180.0000 -93.07986 -88.35796 4.72190 2.54041 -88.28713 1003.57272
2185.0000 -92.39922 -86.89615 5.50307 2.60715 -87.50654 1064.32640
2190.0000 -93.06730 -86.29957 6.76773 2.60106 -87.57787 1053.40389
2195.0000 -92.12696 -84.99752 7.12944 2.73198 -86.04655 1141.35193
2200.0000 -92.49762 -87.23952 5.25810 2.73024 -86.06697 1134.44914
2205.0000 -93.51718 -87.70918 5.80800 2.61822 -87.37706 1090.83674
2210.0000 -92.80055 -86.22433 6.57622 2.59740 -87.62068 1026.78235
2215.0000 -92.38537 -87.10177 5.28359 2.67529 -86.70959 1083.77327
2220.0000 -93.25195 -88.56206 4.68989 2.59139 -87.69090 1033.69435
2225.0000 -94.25677 -89.27654 4.98023 2.49119 -88.86292 965.82150
2230.0000 -94.82145 -89.50366 5.31779 2.43126 -89.56375 890.47155
2235.0000 -94.21953 -89.64397 4.57556 2.43726 -89.49360 894.15926
2240.0000 -94.04615 -88.95036 5.09579 2.45044 -89.33945 938.35506
2245.0000 -94.53195 -89.09387 5.43808 2.48694 -88.91259 987.48882
2250.0000 -92.81747 -88.28311 4.53436 2.55320 -88.13764 1009.58763
FREEZING PROCESS: loop number 10 T-loop= 985.00000000000000
main_MD> interactions number 10 at Temperature= 985.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52966 2.39122 -0.94866
force_rgl> df(natom) -0.27164 -1.17597 0.74686
2255.0000 -93.61961 -88.46224 5.15736 2.54016 -88.29012 978.49499
2260.0000 -93.98519 -89.02454 4.96065 2.50067 -88.75196 947.66231
2265.0000 -93.63563 -87.82290 5.81273 2.52104 -88.51379 961.69862
2270.0000 -91.05631 -84.91241 6.14390 2.69890 -86.43342 1071.71145
2275.0000 -91.81082 -86.65830 5.15252 2.82087 -85.00689 1220.09502
2280.0000 -91.70902 -86.12551 5.58351 2.68321 -86.61704 1156.64973
2285.0000 -91.82008 -86.78284 5.03725 2.67302 -86.73611 1054.26714
2290.0000 -93.41577 -86.21711 7.19866 2.68617 -86.58234 1071.58615
2295.0000 -92.86242 -87.90204 4.96039 2.56380 -88.01359 1020.55625
2300.0000 -93.07877 -88.40673 4.67204 2.59543 -87.64366 1045.74807
2305.0000 -92.71390 -88.09288 4.62102 2.55836 -88.07722 937.46326
2310.0000 -93.49326 -88.71065 4.78261 2.56732 -87.97244 1005.73610
2315.0000 -93.75831 -89.15574 4.60256 2.49128 -88.86177 921.78279
2320.0000 -92.74667 -88.20474 4.54193 2.53195 -88.38616 976.85946
2325.0000 -92.94360 -88.33965 4.60395 2.54046 -88.28663 998.95574
2330.0000 -92.92036 -88.39942 4.52094 2.55926 -88.06674 971.14110
2335.0000 -92.48571 -88.00572 4.47999 2.51357 -88.60107 942.27814
2340.0000 -93.32446 -86.90869 6.41577 2.63537 -87.17656 1067.15448
2345.0000 -92.93469 -87.91301 5.02169 2.61687 -87.39288 1026.91066
2350.0000 -93.00823 -87.89074 5.11749 2.58344 -87.78390 1039.33623
2355.0000 -93.23183 -87.47818 5.75365 2.60405 -87.54289 1013.33600
2360.0000 -92.05054 -86.63378 5.41676 2.63922 -87.13153 1069.03156
2365.0000 -93.18633 -88.40417 4.78216 2.58536 -87.76142 1063.18531
2370.0000 -93.22130 -87.67055 5.55074 2.57064 -87.93364 1052.55640
2375.0000 -93.80357 -88.82488 4.97869 2.56282 -88.02505 1023.51542
2380.0000 -93.49412 -88.71294 4.78118 2.48688 -88.91323 958.54117
2385.0000 -92.68799 -86.48805 6.19994 2.60239 -87.56225 1032.63490
2390.0000 -90.72409 -86.19182 4.53227 2.74344 -85.91253 1180.73257
2395.0000 -93.41350 -88.78288 4.63061 2.61265 -87.44232 1017.52248
2400.0000 -95.01668 -88.78061 6.23607 2.45982 -89.22979 908.03139
2405.0000 -92.88525 -88.56750 4.31775 2.49907 -88.77072 954.50185
2410.0000 -94.17609 -89.50118 4.67491 2.45579 -89.27688 911.39163
2415.0000 -94.31833 -88.89217 5.42616 2.43440 -89.52707 911.86455
2420.0000 -93.83144 -89.18465 4.64679 2.44607 -89.39062 937.90236
2425.0000 -93.38921 -89.08417 4.30504 2.52187 -88.50402 990.08675
2430.0000 -93.49032 -89.39716 4.09315 2.41233 -89.78517 898.31905
2435.0000 -93.86214 -89.50857 4.35357 2.41454 -89.75933 864.97367
2440.0000 -93.71550 -89.06768 4.64782 2.47845 -89.01189 959.06374
2445.0000 -93.05115 -88.94772 4.10343 2.48878 -88.89106 977.69608
2450.0000 -92.81918 -89.11539 3.70379 2.42477 -89.63972 883.42364
2455.0000 -92.90309 -87.46522 5.43786 2.52501 -88.46731 962.87864
2460.0000 -92.31697 -87.64737 4.66960 2.59778 -87.61616 1038.59006
2465.0000 -92.95564 -87.58524 5.37040 2.53285 -88.37563 1004.53047
2470.0000 -93.88843 -88.47367 5.41476 2.53994 -88.29263 995.24862
2475.0000 -94.35288 -88.60643 5.74645 2.51025 -88.63998 995.11018
2480.0000 -93.60009 -89.18770 4.41239 2.53777 -88.31810 971.85062
2485.0000 -95.01244 -91.19567 3.81677 2.35644 -90.43890 810.24114
2490.0000 -93.67659 -88.51640 5.16019 2.43600 -89.50838 889.12464
2495.0000 -92.67616 -87.38775 5.28841 2.54497 -88.23380 1018.48065
2500.0000 -92.23533 -86.54300 5.69233 2.61500 -87.41476 1036.09473
FREEZING PROCESS: loop number 11 T-loop= 960.00000000000000
main_MD> interactions number 11 at Temperature= 960.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25233 -0.70749 -2.81122
force_rgl> df(natom) -0.91521 -1.48423 -2.51198
2505.0000 -91.95002 -85.72686 6.22316 2.74206 -85.92866 1162.21454
2510.0000 -92.24270 -85.39010 6.85260 2.76034 -85.71491 1174.72661
2515.0000 -94.01516 -88.48685 5.52831 2.65802 -86.91165 1103.46927
2520.0000 -94.55641 -90.79321 3.76320 2.35784 -90.42252 797.43905
2525.0000 -94.15694 -88.61991 5.53702 2.43593 -89.50921 884.89493
2530.0000 -92.52747 -87.54042 4.98705 2.60024 -87.58742 1058.87183
2535.0000 -92.20571 -86.74819 5.45752 2.57298 -87.90622 1017.39216
2540.0000 -92.01676 -86.80175 5.21501 2.72620 -86.11423 1131.71148
2545.0000 -94.30949 -88.38581 5.92369 2.54339 -88.25228 986.80525
2550.0000 -93.39147 -88.35156 5.03991 2.49859 -88.77633 979.63184
2555.0000 -92.86779 -87.04333 5.82445 2.57741 -87.85442 1003.37684
2560.0000 -92.83021 -87.85470 4.97551 2.59403 -87.66007 1038.55458
2565.0000 -91.49184 -86.63056 4.86129 2.60066 -87.58255 998.79128
2570.0000 -93.07763 -87.93200 5.14564 2.60559 -87.52480 1014.21617
2575.0000 -92.52960 -87.17987 5.34973 2.63557 -87.17423 986.10487
2580.0000 -94.17263 -87.92535 6.24727 2.58684 -87.74410 1061.49653
2585.0000 -94.33218 -88.87258 5.45960 2.52860 -88.42533 1013.47889
2590.0000 -93.52048 -88.34998 5.17051 2.48675 -88.91477 928.75780
2595.0000 -94.20341 -89.11347 5.08994 2.49797 -88.78352 985.59267
2600.0000 -94.30352 -90.04093 4.26260 2.46566 -89.16149 886.67972
2605.0000 -94.06130 -89.44792 4.61338 2.35329 -90.47577 831.28243
2610.0000 -94.92054 -89.34384 5.57671 2.45341 -89.30477 915.49462
2615.0000 -95.19521 -90.56438 4.63083 2.42447 -89.64325 828.26896
2620.0000 -95.11515 -88.77111 6.34404 2.44865 -89.36038 935.16412
2625.0000 -93.35395 -88.59168 4.76227 2.51669 -88.56458 955.28016
2630.0000 -93.40175 -87.78764 5.61411 2.52649 -88.44995 982.57908
2635.0000 -93.64294 -87.70011 5.94283 2.57450 -87.88842 997.45595
2640.0000 -92.59414 -87.80287 4.79127 2.55785 -88.08322 966.31988
2645.0000 -92.65112 -88.48460 4.16651 2.57455 -87.88783 959.72598
2650.0000 -94.16728 -88.77574 5.39154 2.51239 -88.61485 971.52804
2655.0000 -93.80702 -89.03205 4.77497 2.42270 -89.66391 923.70331
2660.0000 -94.69770 -89.01214 5.68556 2.48614 -88.92192 936.78471
2665.0000 -92.05958 -86.51363 5.54595 2.56188 -88.03607 1021.21473
2670.0000 -91.60771 -86.71505 4.89266 2.66299 -86.85346 1051.33375
2675.0000 -93.24171 -87.79792 5.44379 2.58510 -87.76452 1022.01729
2680.0000 -94.72279 -89.98923 4.73356 2.49570 -88.81014 976.13927
2685.0000 -95.75841 -90.88374 4.87467 2.33723 -90.66357 829.17024
2690.0000 -95.15178 -90.48224 4.66954 2.30891 -90.99482 785.31940
2695.0000 -95.24194 -89.75110 5.49084 2.39087 -90.03619 857.24238
2700.0000 -93.77140 -89.58165 4.18975 2.43053 -89.57232 908.84279
2705.0000 -93.99954 -88.91836 5.08118 2.47766 -89.02112 971.77339
2710.0000 -93.63310 -89.36866 4.26444 2.44153 -89.44374 881.22092
2715.0000 -93.60959 -89.69715 3.91243 2.40661 -89.85216 902.11886
2720.0000 -94.26927 -89.80396 4.46531 2.45068 -89.33673 937.40686
2725.0000 -93.16503 -88.56755 4.59748 2.52201 -88.50237 944.09577
2730.0000 -94.35976 -88.37064 5.98912 2.56659 -87.98098 1033.68455
2735.0000 -93.71149 -88.42494 5.28655 2.49849 -88.77744 943.09243
2740.0000 -92.54199 -86.78198 5.76000 2.58627 -87.75080 1027.83582
2745.0000 -93.58749 -88.71201 4.87548 2.55620 -88.10256 1021.13852
2750.0000 -93.93893 -88.44189 5.49704 2.50879 -88.65704 963.18691
FREEZING PROCESS: loop number 12 T-loop= 935.00000000000000
main_MD> interactions number 12 at Temperature= 935.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01495 -1.41461 -1.50361
force_rgl> df(natom) 1.41177 -4.28526 -0.96012
2755.0000 -93.17551 -87.81550 5.36001 2.57897 -87.83615 1022.86576
2760.0000 -93.32500 -88.08276 5.24224 2.56897 -87.95319 998.37191
2765.0000 -93.69814 -89.28369 4.41445 2.54155 -88.27386 954.67739
2770.0000 -93.19901 -88.37099 4.82802 2.49015 -88.87502 941.36711
2775.0000 -94.72277 -89.64368 5.07910 2.49514 -88.81670 930.62528
2780.0000 -92.78709 -88.11731 4.66978 2.47017 -89.10867 906.66285
2785.0000 -92.36301 -86.90731 5.45569 2.61405 -87.42588 1054.64613
2790.0000 -93.57797 -88.23783 5.34014 2.63803 -87.14538 1064.98508
2795.0000 -94.16280 -89.69922 4.46358 2.47191 -89.08839 902.41814
2800.0000 -93.23318 -88.29729 4.93589 2.48607 -88.92275 932.99764
2805.0000 -94.23218 -88.95636 5.27582 2.44073 -89.45307 940.51499
2810.0000 -94.97206 -90.59442 4.37764 2.42752 -89.60757 918.21140
2815.0000 -94.43330 -89.36224 5.07106 2.40637 -89.85496 902.45023
2820.0000 -92.12373 -87.82353 4.30020 2.56857 -87.95787 991.04357
2825.0000 -93.96637 -89.25423 4.71213 2.48672 -88.91510 896.11934
2830.0000 -92.74023 -87.68126 5.05897 2.47990 -88.99486 924.53409
2835.0000 -94.31550 -88.86518 5.45031 2.54934 -88.18272 1041.62850
2840.0000 -92.78508 -88.17770 4.60737 2.49282 -88.84375 928.13022
2845.0000 -92.39749 -87.55320 4.84429 2.60422 -87.54081 1046.78075
2850.0000 -93.26715 -88.07735 5.18980 2.57392 -87.89525 996.69598
2855.0000 -93.20212 -87.91445 5.28767 2.55164 -88.15587 953.95751
2860.0000 -92.58005 -87.65177 4.92827 2.56494 -88.00022 957.42914
2865.0000 -93.62990 -89.68553 3.94438 2.52841 -88.42759 952.76413
2870.0000 -94.13955 -89.72560 4.41395 2.40338 -89.88985 886.37123
2875.0000 -93.72621 -88.78373 4.94248 2.40236 -89.90178 887.07324
2880.0000 -93.90526 -89.43396 4.47130 2.47629 -89.03711 938.20765
2885.0000 -93.89036 -88.73134 5.15902 2.51037 -88.63854 975.01235
2890.0000 -93.93799 -88.79846 5.13953 2.52514 -88.46578 970.55779
2895.0000 -93.13381 -87.89691 5.23690 2.53114 -88.39565 1025.39368
2900.0000 -92.56091 -87.34545 5.21546 2.58657 -87.74724 1058.37023
2905.0000 -93.06248 -88.70445 4.35803 2.55888 -88.07112 1016.21853
2910.0000 -93.47037 -87.99373 5.47664 2.57357 -87.89931 1042.43602
2915.0000 -92.38646 -86.70653 5.67993 2.57656 -87.86437 1001.92230
2920.0000 -93.75010 -89.33210 4.41800 2.51450 -88.59028 965.42659
2925.0000 -94.31215 -89.12710 5.18505 2.47085 -89.10073 926.13953
2930.0000 -94.91183 -89.70725 5.20458 2.47408 -89.06299 979.03358
2935.0000 -94.30566 -90.31019 3.99547 2.41626 -89.73922 887.77370
2940.0000 -93.50918 -88.62344 4.88575 2.40773 -89.83905 931.62115
2945.0000 -93.34733 -89.13432 4.21300 2.48531 -88.93169 952.49724
2950.0000 -94.48945 -90.25959 4.22986 2.43534 -89.51613 905.75115
2955.0000 -94.75149 -90.80733 3.94416 2.35472 -90.45906 833.97282
2960.0000 -95.51942 -91.53088 3.98854 2.29058 -91.20916 802.28418
2965.0000 -95.70305 -90.86943 4.83362 2.29850 -91.11657 789.38621
2970.0000 -93.99345 -89.23476 4.75869 2.37621 -90.20770 892.18175
2975.0000 -94.67916 -90.22786 4.45130 2.39636 -89.97199 897.38669
2980.0000 -93.95512 -89.80833 4.14679 2.38080 -90.15395 852.25642
2985.0000 -94.69772 -90.04688 4.65084 2.40295 -89.89492 885.13863
2990.0000 -93.81590 -89.45748 4.35842 2.40394 -89.88333 893.15519
2995.0000 -94.29289 -89.56154 4.73134 2.46355 -89.18618 932.68264
3000.0000 -94.60085 -89.61910 4.98174 2.43527 -89.51688 955.72617
FREEZING PROCESS: loop number 13 T-loop= 910.00000000000000
main_MD> interactions number 13 at Temperature= 910.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.73909 0.72648 -1.77408
force_rgl> df(natom) 0.34717 2.03987 -0.00914
3005.0000 -94.19231 -89.66274 4.52958 2.44181 -89.44036 872.43443
3010.0000 -94.82368 -90.06464 4.75903 2.31688 -90.90155 814.92143
3015.0000 -94.26386 -89.19933 5.06453 2.44487 -89.40467 908.87787
3020.0000 -94.90376 -90.34566 4.55809 2.40320 -89.89198 913.38646
3025.0000 -92.25975 -86.13521 6.12454 2.51883 -88.53956 950.13719
3030.0000 -92.00448 -87.36206 4.64242 2.60926 -87.48188 1069.68345
3035.0000 -92.60225 -87.32990 5.27235 2.60823 -87.49398 1076.62404
3040.0000 -94.36106 -88.89995 5.46111 2.56158 -88.03956 985.69018
3045.0000 -94.12677 -89.57912 4.54764 2.46716 -89.14397 907.66954
3050.0000 -95.12525 -90.30847 4.81677 2.45136 -89.32876 913.43332
3055.0000 -94.14708 -88.50939 5.63769 2.44992 -89.34560 916.71314
3060.0000 -93.62829 -89.26161 4.36667 2.47695 -89.02946 945.82378
3065.0000 -94.58103 -89.63987 4.94116 2.45773 -89.25424 940.38852
3070.0000 -93.16144 -89.26276 3.89868 2.39946 -89.93576 936.70223
3075.0000 -94.38127 -89.38405 4.99721 2.46126 -89.21290 949.19602
3080.0000 -92.97723 -87.92798 5.04925 2.52434 -88.47509 979.67867
3085.0000 -93.87542 -89.64347 4.23195 2.46502 -89.16892 927.47194
3090.0000 -94.36599 -88.31061 6.05537 2.46288 -89.19396 899.99622
3095.0000 -94.16808 -89.44013 4.72795 2.53708 -88.32607 987.44326
3100.0000 -95.02519 -91.36304 3.66215 2.33101 -90.73640 824.74815
3105.0000 -95.28011 -90.68652 4.59359 2.29105 -91.20370 802.26762
3110.0000 -94.48562 -89.44760 5.03801 2.43605 -89.50782 933.42273
3115.0000 -93.76802 -89.18547 4.58255 2.49296 -88.84215 1009.91036
3120.0000 -93.57427 -88.91818 4.65609 2.47504 -89.05181 978.00660
3125.0000 -94.25577 -88.79857 5.45721 2.49894 -88.77224 911.36716
3130.0000 -93.15404 -88.01862 5.13542 2.57021 -87.93861 1000.10490
3135.0000 -93.07068 -88.19355 4.87713 2.51163 -88.62380 957.30440
3140.0000 -94.33086 -88.76269 5.56816 2.52858 -88.42550 936.81760
3145.0000 -93.38804 -86.93813 6.44992 2.55884 -88.07163 1031.20928
3150.0000 -93.75159 -88.42401 5.32758 2.56884 -87.95465 1003.85821
3155.0000 -93.37147 -89.17852 4.19295 2.50734 -88.67402 984.05339
3160.0000 -92.70964 -87.21836 5.49128 2.51952 -88.53152 933.93344
3165.0000 -93.26314 -88.20122 5.06192 2.60559 -87.52486 957.69514
3170.0000 -93.01396 -87.04638 5.96758 2.58892 -87.71985 995.36758
3175.0000 -93.84829 -89.75916 4.08913 2.57461 -87.88718 999.47572
3180.0000 -93.95351 -90.00540 3.94812 2.39513 -89.98644 870.46922
3185.0000 -94.39776 -90.02918 4.36858 2.38374 -90.11958 853.78318
3190.0000 -94.19718 -89.47615 4.72103 2.46376 -89.18371 937.34593
3195.0000 -93.29307 -89.72852 3.56456 2.43097 -89.56719 904.55357
3200.0000 -94.37726 -88.99840 5.37885 2.45572 -89.27778 900.50366
3205.0000 -93.59474 -89.56557 4.02916 2.46602 -89.15728 907.62409
3210.0000 -94.15255 -88.66429 5.48826 2.44672 -89.38294 896.88873
3215.0000 -94.04853 -88.46197 5.58657 2.47244 -89.08220 959.11607
3220.0000 -93.64256 -89.28679 4.35577 2.50362 -88.71753 923.03276
3225.0000 -94.74488 -90.45146 4.29342 2.43534 -89.51614 901.34622
3230.0000 -95.50993 -90.83357 4.67636 2.34651 -90.55504 862.49796
3235.0000 -93.75739 -89.07515 4.68223 2.31761 -90.89302 802.57988
3240.0000 -93.93984 -89.16942 4.77042 2.45986 -89.22932 911.60542
3245.0000 -94.57673 -89.97986 4.59688 2.43203 -89.55486 919.87922
3250.0000 -94.43301 -88.96607 5.46695 2.49053 -88.87059 937.74430
FREEZING PROCESS: loop number 14 T-loop= 885.00000000000000
main_MD> interactions number 14 at Temperature= 885.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76071 -1.03431 2.21197
force_rgl> df(natom) -1.36186 -1.04174 1.23755
3255.0000 -93.89403 -89.33048 4.56356 2.47608 -89.03964 923.20209
3260.0000 -94.91791 -90.51532 4.40259 2.38436 -90.11230 806.15114
3265.0000 -94.51810 -89.31275 5.20536 2.39764 -89.95709 917.23845
3270.0000 -93.20650 -88.05015 5.15635 2.46826 -89.13102 896.66554
3275.0000 -94.87755 -88.86442 6.01312 2.48449 -88.94122 923.08728
3280.0000 -93.70982 -89.59468 4.11514 2.46079 -89.21846 906.94867
3285.0000 -95.87377 -91.25145 4.62233 2.34680 -90.55161 807.59799
3290.0000 -95.35627 -89.87880 5.47747 2.29076 -91.20717 797.11399
3295.0000 -94.73958 -90.75548 3.98410 2.37923 -90.17240 881.46662
3300.0000 -94.02519 -90.09282 3.93237 2.38701 -90.08132 871.43939
3305.0000 -93.19286 -87.45722 5.73564 2.48564 -88.92777 944.07637
3310.0000 -94.42956 -90.16600 4.26356 2.43276 -89.54629 929.88534
3315.0000 -94.62428 -89.88553 4.73875 2.40486 -89.87253 891.61307
3320.0000 -93.97382 -89.07136 4.90246 2.44244 -89.43306 854.35038
3325.0000 -94.05527 -89.81048 4.24478 2.49215 -88.85164 947.30227
3330.0000 -94.43065 -90.75899 3.67166 2.40215 -89.90427 876.41267
3335.0000 -93.49098 -89.82998 3.66099 2.36929 -90.28866 863.86666
3340.0000 -94.73218 -90.98740 3.74478 2.36964 -90.28453 826.18738
3345.0000 -94.48080 -89.56956 4.91124 2.35639 -90.43948 821.11795
3350.0000 -95.02970 -90.38299 4.64670 2.37909 -90.17394 872.33883
3355.0000 -95.19711 -89.89688 5.30022 2.40305 -89.89373 895.13769
3360.0000 -94.70273 -89.40214 5.30059 2.36553 -90.33263 832.98085
3365.0000 -95.35780 -90.17722 5.18057 2.41888 -89.70860 890.69627
3370.0000 -93.39971 -89.28015 4.11956 2.43924 -89.47052 923.99929
3375.0000 -95.54469 -90.19383 5.35085 2.45089 -89.33419 921.62096
3380.0000 -94.23395 -89.31043 4.92352 2.42426 -89.64565 906.55361
3385.0000 -94.69687 -90.26817 4.42870 2.38432 -90.11283 846.90006
3390.0000 -94.51457 -89.87039 4.64419 2.39935 -89.93709 875.97708
3395.0000 -94.43658 -88.94363 5.49295 2.41669 -89.73427 912.51649
3400.0000 -94.53759 -90.21223 4.32536 2.40574 -89.86225 850.89650
3405.0000 -94.83281 -90.41143 4.42138 2.39434 -89.99567 898.22488
3410.0000 -94.00402 -89.27938 4.72464 2.43012 -89.57712 888.80396
3415.0000 -94.31286 -88.39664 5.91622 2.52498 -88.46760 933.95083
3420.0000 -93.83355 -88.98894 4.84461 2.51227 -88.61636 959.06367
3425.0000 -94.28119 -90.11803 4.16316 2.38291 -90.12928 850.22634
3430.0000 -94.42254 -89.25370 5.16884 2.43419 -89.52959 899.73823
3435.0000 -94.86503 -90.70990 4.15512 2.43686 -89.49834 863.55250
3440.0000 -94.69684 -90.63148 4.06536 2.35367 -90.47129 810.06408
3445.0000 -93.70687 -89.42635 4.28052 2.41827 -89.71571 893.04838
3450.0000 -94.48159 -88.95443 5.52716 2.54499 -88.23357 991.25881
3455.0000 -94.09665 -90.33705 3.75960 2.39488 -89.98936 849.54969
3460.0000 -95.03411 -90.13507 4.89904 2.36860 -90.29665 868.68613
3465.0000 -94.70633 -90.96490 3.74143 2.38562 -90.09762 880.21922
3470.0000 -95.14140 -89.71563 5.42576 2.33044 -90.74304 825.38420
3475.0000 -95.26725 -90.39144 4.87581 2.33268 -90.71682 804.68931
3480.0000 -93.80270 -89.12636 4.67634 2.41080 -89.80310 887.26013
3485.0000 -94.19375 -90.04841 4.14534 2.38370 -90.12011 867.07607
3490.0000 -93.62671 -88.41789 5.20882 2.49013 -88.87531 942.40914
3495.0000 -93.86149 -89.38767 4.47382 2.52331 -88.48723 939.80657
3500.0000 -93.19922 -88.36807 4.83115 2.49227 -88.85022 937.16784
FREEZING PROCESS: loop number 15 T-loop= 860.00000000000000
main_MD> interactions number 15 at Temperature= 860.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12944 0.09996 0.18835
force_rgl> df(natom) 1.13357 -0.67239 -0.44405
3505.0000 -92.87837 -88.48254 4.39583 2.49551 -88.81232 930.98699
3510.0000 -93.87094 -88.55237 5.31857 2.47649 -89.03479 914.53891
3515.0000 -93.41053 -87.95082 5.45971 2.55311 -88.13864 964.44932
3520.0000 -93.87013 -88.66220 5.20793 2.53238 -88.38110 965.72257
3525.0000 -93.15334 -88.18122 4.97213 2.53268 -88.37759 972.30477
3530.0000 -92.30478 -87.40871 4.89607 2.57982 -87.82627 996.61720
3535.0000 -93.92659 -89.26082 4.66577 2.51776 -88.55208 961.05744
3540.0000 -94.43114 -90.49079 3.94035 2.38072 -90.15499 883.70252
3545.0000 -94.89854 -90.38688 4.51166 2.40326 -89.89132 864.35596
3550.0000 -94.04682 -89.77261 4.27421 2.31475 -90.92650 814.71415
3555.0000 -94.16475 -89.02621 5.13855 2.45269 -89.31319 935.75109
3560.0000 -95.05181 -90.69853 4.35328 2.40291 -89.89535 905.77578
3565.0000 -94.65179 -89.77014 4.88165 2.33115 -90.73472 826.79903
3570.0000 -95.35068 -91.23724 4.11343 2.32968 -90.75193 833.29939
3575.0000 -94.66889 -90.69167 3.97723 2.29772 -91.12575 753.60220
3580.0000 -95.09661 -89.65360 5.44301 2.39706 -89.96383 860.20289
3585.0000 -94.35986 -91.07549 3.28436 2.31729 -90.89686 807.93512
3590.0000 -94.64413 -89.71650 4.92763 2.40811 -89.83452 861.57061
3595.0000 -94.33090 -89.77673 4.55417 2.42990 -89.57972 873.04005
3600.0000 -94.38475 -90.30764 4.07712 2.40892 -89.82514 872.49248
3605.0000 -93.80925 -89.88718 3.92208 2.37812 -90.18535 864.51280
3610.0000 -93.36406 -88.03142 5.33264 2.46107 -89.21520 874.11204
3615.0000 -94.44194 -89.88940 4.55254 2.44439 -89.41018 889.58386
3620.0000 -95.37348 -89.94608 5.42740 2.39969 -89.93303 888.03928
3625.0000 -93.85129 -89.75864 4.09266 2.42873 -89.59345 906.96547
3630.0000 -95.34823 -90.77740 4.57083 2.33478 -90.69224 830.34257
3635.0000 -94.60408 -89.06502 5.53906 2.43140 -89.56221 903.41781
3640.0000 -94.29096 -89.72521 4.56576 2.45992 -89.22865 928.56431
3645.0000 -95.25907 -90.59708 4.66199 2.33881 -90.64506 812.88545
3650.0000 -95.29220 -90.57271 4.71949 2.36022 -90.39467 894.15512
3655.0000 -94.73605 -90.04976 4.68629 2.41075 -89.80369 885.50865
3660.0000 -94.94122 -91.01473 3.92649 2.33818 -90.65254 860.95261
3665.0000 -94.82743 -90.77590 4.05153 2.33122 -90.73383 821.20355
3670.0000 -94.82604 -90.78372 4.04232 2.34115 -90.61776 822.21215
3675.0000 -95.14808 -91.38202 3.76606 2.33371 -90.70473 849.45154
3680.0000 -95.29368 -90.55601 4.73767 2.35222 -90.48826 865.20371
3685.0000 -93.97620 -90.66714 3.30906 2.35623 -90.44139 878.05676
3690.0000 -95.74238 -90.85552 4.88686 2.33864 -90.64712 816.20906
3695.0000 -95.51446 -91.26421 4.25026 2.30578 -91.03147 818.32417
3700.0000 -93.49040 -89.03946 4.45094 2.40205 -89.90540 846.65041
3705.0000 -94.90545 -90.66782 4.23763 2.42100 -89.68386 901.48741
3710.0000 -94.00827 -87.91057 6.09770 2.47547 -89.04676 945.27327
3715.0000 -94.00226 -89.11282 4.88944 2.51395 -88.59661 988.53577
3720.0000 -94.28896 -89.54332 4.74563 2.46366 -89.18483 892.97435
3725.0000 -95.06340 -91.01519 4.04821 2.37897 -90.17545 858.03824
3730.0000 -95.94864 -91.77143 4.17722 2.32213 -90.84023 809.34741
3735.0000 -95.53011 -91.94581 3.58430 2.25116 -91.67031 778.44787
3740.0000 -94.51782 -90.55120 3.96662 2.32068 -90.85722 820.81074
3745.0000 -95.21367 -90.13864 5.07502 2.39640 -89.97157 824.15907
3750.0000 -93.77333 -89.97844 3.79489 2.38058 -90.15652 855.97738
FREEZING PROCESS: loop number 16 T-loop= 835.00000000000000
main_MD> interactions number 16 at Temperature= 835.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.83030 -0.26269 2.96533
force_rgl> df(natom) 3.16479 -0.07441 1.63905
3755.0000 -95.04633 -90.86268 4.18365 2.37092 -90.26960 864.53891
3760.0000 -95.11747 -89.64070 5.47677 2.36853 -90.29754 893.95709
3765.0000 -93.90980 -89.04789 4.86191 2.49237 -88.84908 945.33635
3770.0000 -94.37729 -89.57317 4.80412 2.46311 -89.19127 945.99599
3775.0000 -96.79938 -91.97914 4.82025 2.26987 -91.45148 816.10458
3780.0000 -95.74251 -92.17131 3.57120 2.20753 -92.18053 763.98571
3785.0000 -94.30528 -90.47312 3.83216 2.30873 -90.99690 787.10715
3790.0000 -94.39821 -89.56627 4.83195 2.38499 -90.10497 855.96419
3795.0000 -94.79581 -90.26778 4.52803 2.38448 -90.11094 851.45302
3800.0000 -94.01039 -89.75374 4.25665 2.36834 -90.29971 865.29783
3805.0000 -94.57216 -90.59558 3.97657 2.32200 -90.84172 814.39182
3810.0000 -93.42691 -89.49743 3.92949 2.37608 -90.20917 894.93680
3815.0000 -94.38412 -90.30071 4.08341 2.34451 -90.57845 835.26346
3820.0000 -95.50831 -90.52881 4.97949 2.38144 -90.14647 854.29657
3825.0000 -94.58928 -90.24464 4.34464 2.41332 -89.77361 900.63277
3830.0000 -93.98447 -89.61514 4.36933 2.38841 -90.06502 895.91660
3835.0000 -94.85153 -89.62803 5.22350 2.44922 -89.35370 950.36434
3840.0000 -95.15910 -90.86792 4.29118 2.31546 -90.91821 810.76532
3845.0000 -94.68024 -90.33250 4.34773 2.33880 -90.64518 841.57214
3850.0000 -95.18907 -90.82523 4.36384 2.33498 -90.68993 798.67632
3855.0000 -94.26152 -89.57396 4.68756 2.36645 -90.32184 853.44574
3860.0000 -93.28097 -88.83190 4.44906 2.45041 -89.33978 919.20968
3865.0000 -93.65125 -88.09580 5.55545 2.52662 -88.44849 951.47898
3870.0000 -94.86474 -89.38778 5.47697 2.48635 -88.91951 999.44161
3875.0000 -94.85270 -91.03354 3.81916 2.38824 -90.06692 879.22727
3880.0000 -94.31263 -89.86087 4.45176 2.35704 -90.43185 858.55663
3885.0000 -94.93218 -90.08526 4.84691 2.44160 -89.44287 934.00570
3890.0000 -95.05162 -91.20996 3.84166 2.29099 -91.20439 763.84798
3895.0000 -96.03690 -91.96812 4.06878 2.31286 -90.94859 836.22355
3900.0000 -96.02897 -91.29109 4.73788 2.22064 -92.02724 731.97885
3905.0000 -94.99364 -90.31680 4.67685 2.33979 -90.63360 880.90890
3910.0000 -94.29637 -89.59031 4.70606 2.43910 -89.47213 947.03521
3915.0000 -94.62993 -90.22201 4.40792 2.40129 -89.91439 861.30506
3920.0000 -94.38338 -90.14880 4.23459 2.33145 -90.73121 815.81253
3925.0000 -94.95958 -90.79160 4.16798 2.34261 -90.60065 818.65916
3930.0000 -93.94622 -89.96774 3.97848 2.38545 -90.09956 854.15866
3935.0000 -93.69996 -90.28472 3.41524 2.34533 -90.56884 793.26748
3940.0000 -94.85741 -90.91456 3.94284 2.29508 -91.15655 778.59153
3945.0000 -94.25814 -89.27005 4.98809 2.40581 -89.86143 846.35916
3950.0000 -94.91725 -90.97592 3.94133 2.41265 -89.78149 872.51808
3955.0000 -95.18452 -91.25892 3.92560 2.34735 -90.54519 829.55286
3960.0000 -95.06482 -91.56687 3.49795 2.29142 -91.19938 802.57766
3965.0000 -95.19670 -91.96625 3.23045 2.23320 -91.88029 763.54180
3970.0000 -94.92952 -90.41457 4.51494 2.31452 -90.92924 820.61817
3975.0000 -95.17335 -90.37231 4.80104 2.35838 -90.41619 891.85063
3980.0000 -96.21833 -92.05976 4.15857 2.33054 -90.74179 837.37185
3985.0000 -95.20531 -91.34416 3.86115 2.27218 -91.42446 759.45676
3990.0000 -95.37934 -91.58405 3.79529 2.27690 -91.36921 769.23270
3995.0000 -94.41468 -90.18982 4.22486 2.28804 -91.23898 806.52914
4000.0000 -94.12567 -90.19718 3.92849 2.37305 -90.24462 838.29506
FREEZING PROCESS: loop number 17 T-loop= 810.00000000000000
main_MD> interactions number 17 at Temperature= 810.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.79683 -0.08539 0.95733
force_rgl> df(natom) -3.79642 2.01401 1.22709
4005.0000 -94.89740 -90.69433 4.20307 2.31036 -90.97789 828.33309
4010.0000 -95.78167 -91.48348 4.29819 2.27772 -91.35958 769.20300
4015.0000 -94.84589 -90.94732 3.89857 2.27825 -91.35346 749.87657
4020.0000 -95.53376 -90.67747 4.85629 2.29802 -91.12221 787.29685
4025.0000 -96.21739 -92.24330 3.97408 2.29328 -91.17763 796.10389
4030.0000 -95.37074 -91.68227 3.68847 2.23676 -91.83872 737.29360
4035.0000 -95.51488 -91.28471 4.23017 2.26095 -91.55573 768.23133
4040.0000 -94.80579 -90.58796 4.21783 2.27705 -91.36742 773.46434
4045.0000 -94.97713 -91.01662 3.96051 2.32689 -90.78455 819.20205
4050.0000 -95.76744 -91.68732 4.08012 2.29459 -91.16227 770.02034
4055.0000 -94.50843 -90.35183 4.15660 2.26998 -91.45020 784.15709
4060.0000 -95.22655 -90.77995 4.44660 2.31714 -90.89860 789.46949
4065.0000 -94.71328 -90.69093 4.02235 2.35865 -90.41303 859.71708
4070.0000 -96.05917 -91.08157 4.97760 2.35687 -90.43391 832.04338
4075.0000 -94.42524 -90.27928 4.14596 2.32543 -90.80160 843.98595
4080.0000 -95.27803 -91.46744 3.81059 2.25192 -91.66143 728.78295
4085.0000 -95.64134 -91.19940 4.44194 2.28011 -91.33164 819.10898
4090.0000 -95.70373 -91.91747 3.78627 2.27042 -91.44502 788.89740
4095.0000 -95.35668 -91.34045 4.01623 2.23214 -91.89278 763.95999
4100.0000 -95.44905 -90.93001 4.51904 2.28521 -91.27200 805.13317
4105.0000 -96.27157 -92.03555 4.23602 2.23705 -91.83531 716.78102
4110.0000 -95.25513 -90.65735 4.59778 2.24116 -91.78722 767.87423
4115.0000 -94.98969 -89.86127 5.12843 2.41607 -89.74142 896.04782
4120.0000 -93.99682 -89.96601 4.03081 2.35685 -90.43414 869.36138
4125.0000 -95.91400 -91.58112 4.33288 2.31350 -90.94112 827.91124
4130.0000 -95.03196 -91.73230 3.29965 2.26867 -91.46542 777.82765
4135.0000 -95.42449 -91.22438 4.20011 2.27234 -91.42254 775.65571
4140.0000 -95.79780 -92.02066 3.77714 2.22772 -91.94438 741.71436
4145.0000 -95.82627 -92.94890 2.87736 2.16108 -92.72381 687.28942
4150.0000 -95.56880 -92.13482 3.43398 2.19381 -92.34106 709.62977
4155.0000 -96.05707 -92.03243 4.02464 2.20082 -92.25900 734.88123
4160.0000 -95.28856 -90.45246 4.83610 2.32571 -90.79838 860.32130
4165.0000 -94.67754 -89.71289 4.96465 2.32919 -90.75767 833.52205
4170.0000 -95.71654 -92.00269 3.71385 2.26187 -91.54499 780.17535
4175.0000 -95.31190 -90.77024 4.54166 2.24853 -91.70098 771.45825
4180.0000 -95.10873 -90.88711 4.22162 2.31071 -90.97382 800.09544
4185.0000 -95.14471 -91.36861 3.77610 2.23838 -91.81980 745.77953
4190.0000 -94.20693 -89.64687 4.56005 2.37135 -90.26455 846.73548
4195.0000 -94.21243 -90.35891 3.85352 2.43564 -89.51258 916.13087
4200.0000 -94.25089 -90.69789 3.55300 2.35842 -90.41576 800.58468
4205.0000 -94.40558 -89.97145 4.43413 2.36172 -90.37710 830.17195
4210.0000 -94.29107 -89.54402 4.74705 2.36986 -90.28194 846.25499
4215.0000 -95.26595 -91.61965 3.64630 2.39944 -89.93596 876.28623
4220.0000 -95.20519 -90.90410 4.30108 2.29287 -91.18241 777.42798
4225.0000 -94.05246 -90.20106 3.85141 2.37158 -90.26187 885.78134
4230.0000 -94.69297 -90.87689 3.81608 2.34616 -90.55915 834.55616
4235.0000 -94.61327 -89.95056 4.66271 2.34832 -90.53383 871.47511
4240.0000 -95.06642 -91.85330 3.21312 2.32622 -90.79233 806.45156
4245.0000 -95.83350 -91.96978 3.86371 2.26149 -91.54944 806.69901
4250.0000 -95.31426 -91.23562 4.07864 2.25905 -91.57800 789.08409
FREEZING PROCESS: loop number 18 T-loop= 785.00000000000000
main_MD> interactions number 18 at Temperature= 785.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93597 6.20004 0.46517
force_rgl> df(natom) -2.64082 4.84418 -2.15127
4255.0000 -95.49548 -92.44545 3.05003 2.24149 -91.78343 768.07771
4260.0000 -96.63692 -92.90916 3.72776 2.15835 -92.75584 710.83283
4265.0000 -95.48937 -91.16325 4.32612 2.22522 -91.97370 748.98577
4270.0000 -95.19498 -90.69826 4.49672 2.30204 -91.07514 790.79166
4275.0000 -94.56050 -88.85331 5.70720 2.39594 -89.97692 854.96779
4280.0000 -92.75521 -88.54881 4.20641 2.49512 -88.81692 950.08575
4285.0000 -94.00573 -90.21704 3.78869 2.40543 -89.86589 822.16512
4290.0000 -95.49658 -91.28213 4.21445 2.31684 -90.90203 795.08198
4295.0000 -95.47826 -91.49376 3.98450 2.28663 -91.25539 761.15102
4300.0000 -94.14089 -90.27673 3.86416 2.33828 -90.65134 816.78375
4305.0000 -96.03563 -90.76090 5.27473 2.31600 -90.91191 792.34673
4310.0000 -94.91603 -90.92745 3.98858 2.32527 -90.80342 856.08982
4315.0000 -95.23167 -90.27309 4.95858 2.31860 -90.88144 869.89638
4320.0000 -95.32108 -90.54218 4.77889 2.37148 -90.26299 865.57630
4325.0000 -95.60222 -91.09947 4.50274 2.26007 -91.56610 750.44660
4330.0000 -95.48760 -91.80963 3.67796 2.28450 -91.28028 804.52674
4335.0000 -94.57618 -89.76133 4.81485 2.37267 -90.24911 890.08422
4340.0000 -94.60421 -89.06121 5.54300 2.43454 -89.52548 910.82985
4345.0000 -94.23691 -90.36491 3.87199 2.40074 -89.92075 885.23355
4350.0000 -96.51376 -92.06931 4.44444 2.26888 -91.46307 798.83691
4355.0000 -95.25992 -91.78068 3.47924 2.27073 -91.44135 783.35308
4360.0000 -95.88082 -91.35966 4.52116 2.25520 -91.62307 807.82310
4365.0000 -95.04462 -91.62098 3.42364 2.23966 -91.80473 779.42187
4370.0000 -96.35488 -92.66672 3.68815 2.17122 -92.60522 704.55542
4375.0000 -94.74101 -91.40617 3.33484 2.27046 -91.44456 812.49695
4380.0000 -95.60681 -90.43098 5.17584 2.32076 -90.85625 814.60086
4385.0000 -94.66551 -91.31087 3.35464 2.35316 -90.47729 817.68423
4390.0000 -95.94669 -91.99303 3.95366 2.26472 -91.51167 742.55139
4395.0000 -96.00174 -92.56555 3.43619 2.21416 -92.10306 740.67935
4400.0000 -96.06225 -92.22486 3.83739 2.20932 -92.15968 740.80579
4405.0000 -94.88025 -91.63059 3.24965 2.22308 -91.99872 716.35548
4410.0000 -96.02448 -92.11931 3.90517 2.21707 -92.06905 726.63645
4415.0000 -96.02026 -92.32623 3.69403 2.19608 -92.31448 689.74247
4420.0000 -95.49780 -91.43111 4.06669 2.24001 -91.80072 788.81111
4425.0000 -95.97095 -91.05914 4.91181 2.26916 -91.45977 791.27694
4430.0000 -94.73987 -91.43634 3.30353 2.30749 -91.01147 812.85090
4435.0000 -94.96706 -90.90565 4.06141 2.30282 -91.06602 803.34225
4440.0000 -95.10878 -90.19069 4.91808 2.29806 -91.12173 817.58637
4445.0000 -94.82684 -90.09972 4.72712 2.35391 -90.46846 826.05883
4450.0000 -95.72616 -91.77207 3.95409 2.34136 -90.61530 808.31823
4455.0000 -95.84361 -91.43390 4.40971 2.21384 -92.10673 749.43683
4460.0000 -95.14496 -91.87534 3.26962 2.28458 -91.27938 788.33964
4465.0000 -94.58172 -90.21420 4.36753 2.26756 -91.47840 753.19914
4470.0000 -95.81344 -91.68733 4.12611 2.28136 -91.31704 786.51108
4475.0000 -95.34068 -92.76041 2.58027 2.21554 -92.08684 743.45865
4480.0000 -95.85091 -92.31804 3.53287 2.19915 -92.27854 719.47716
4485.0000 -95.45644 -91.96227 3.49417 2.22391 -91.98903 753.27698
4490.0000 -95.28841 -90.18161 5.10680 2.33490 -90.69088 835.18211
4495.0000 -94.75330 -90.20787 4.54542 2.38398 -90.11678 858.13629
4500.0000 -95.75658 -92.02934 3.72724 2.29673 -91.13734 806.76903
FREEZING PROCESS: loop number 19 T-loop= 760.00000000000000
main_MD> interactions number 19 at Temperature= 760.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.41007 1.72825 0.18307
force_rgl> df(natom) 0.29212 -2.49571 1.38819
4505.0000 -96.17586 -91.87484 4.30102 2.16216 -92.71119 712.32917
4510.0000 -95.36459 -91.82750 3.53709 2.27002 -91.44972 778.94722
4515.0000 -94.68557 -90.84193 3.84364 2.31430 -90.93183 790.19766
4520.0000 -95.33792 -91.74696 3.59096 2.30686 -91.01881 780.11884
4525.0000 -96.41496 -91.76039 4.65457 2.22516 -91.97442 726.57523
4530.0000 -94.92255 -91.37414 3.54841 2.26980 -91.45231 777.04621
4535.0000 -95.49951 -91.36493 4.13459 2.30547 -91.03504 784.50651
4540.0000 -95.28844 -91.87057 3.41787 2.21070 -92.14351 698.80889
4545.0000 -94.71853 -90.75594 3.96259 2.32871 -90.76328 779.86541
4550.0000 -95.78634 -91.35936 4.42699 2.28461 -91.27909 732.13963
4555.0000 -96.54896 -93.08908 3.45989 2.19073 -92.37711 732.93362
4560.0000 -96.22202 -92.03571 4.18631 2.15493 -92.79578 666.09846
4565.0000 -96.82291 -92.96001 3.86290 2.12901 -93.09897 698.54193
4570.0000 -96.19207 -91.89881 4.29326 2.18291 -92.46847 660.43357
4575.0000 -95.88222 -92.22690 3.65531 2.23865 -91.81654 739.19712
4580.0000 -96.45816 -92.95914 3.49901 2.17428 -92.56942 699.47171
4585.0000 -95.63418 -90.79248 4.84170 2.20235 -92.24115 735.75651
4590.0000 -94.15102 -90.09105 4.05998 2.38848 -90.06421 894.66712
4595.0000 -96.17746 -92.36988 3.80758 2.30607 -91.02800 786.12643
4600.0000 -95.13999 -92.02208 3.11791 2.22519 -91.97406 724.48039
4605.0000 -94.63292 -90.72996 3.90296 2.26326 -91.52878 731.87479
4610.0000 -95.00981 -90.54666 4.46315 2.30826 -91.00237 784.15093
4615.0000 -96.60541 -92.51932 4.08610 2.25832 -91.58657 763.95005
4620.0000 -95.76372 -91.54739 4.21633 2.21400 -92.10494 720.43315
4625.0000 -94.55979 -90.55139 4.00840 2.28932 -91.22391 803.74580
4630.0000 -94.83674 -91.10334 3.73341 2.26803 -91.47292 755.22234
4635.0000 -95.53806 -91.21749 4.32057 2.29259 -91.18575 784.90390
4640.0000 -95.62711 -90.88576 4.74135 2.33628 -90.67469 845.83033
4645.0000 -95.41936 -91.59586 3.82350 2.29125 -91.20137 811.63090
4650.0000 -95.59096 -91.03012 4.56084 2.28620 -91.26047 816.72342
4655.0000 -96.36544 -92.99411 3.37133 2.23747 -91.83035 754.58410
4660.0000 -95.47847 -92.67786 2.80061 2.16184 -92.71493 673.33652
4665.0000 -95.18907 -91.73380 3.45527 2.22374 -91.99093 745.92649
4670.0000 -94.67712 -90.46391 4.21321 2.26107 -91.55431 741.72868
4675.0000 -94.69664 -91.11803 3.57861 2.32191 -90.84282 796.99638
4680.0000 -96.56762 -92.59033 3.97729 2.28965 -91.22014 799.78728
4685.0000 -95.53774 -91.01929 4.51844 2.24790 -91.70844 768.39250
4690.0000 -95.78494 -91.78740 3.99753 2.24459 -91.74709 747.56329
4695.0000 -95.74324 -91.92589 3.81735 2.23983 -91.80275 740.09182
4700.0000 -95.33535 -91.57152 3.76384 2.17585 -92.55107 658.45537
4705.0000 -96.20008 -91.69686 4.50322 2.25214 -91.65880 754.42300
4710.0000 -94.39380 -89.61131 4.78249 2.32650 -90.78911 838.04419
4715.0000 -94.38312 -90.03784 4.34528 2.38605 -90.09259 877.98904
4720.0000 -95.59916 -90.45980 5.13936 2.29963 -91.10338 766.94177
4725.0000 -94.54747 -90.06987 4.47760 2.38864 -90.06226 881.56032
4730.0000 -94.24032 -90.21104 4.02929 2.37778 -90.18931 866.51815
4735.0000 -95.87995 -92.77264 3.10732 2.24921 -91.69311 757.47588
4740.0000 -96.33573 -92.62525 3.71048 2.15419 -92.80445 680.33794
4745.0000 -96.61702 -93.09926 3.51776 2.15984 -92.73839 706.26526
4750.0000 -95.90464 -92.27440 3.63024 2.15696 -92.77202 698.97073
FREEZING PROCESS: loop number 20 T-loop= 735.00000000000000
main_MD> interactions number 20 at Temperature= 735.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86918 -3.04474 -1.17844
force_rgl> df(natom) -2.77422 0.01086 -2.50125
4755.0000 -95.49708 -91.73741 3.75966 2.22619 -91.96236 757.19708
4760.0000 -96.03089 -92.35073 3.68016 2.19815 -92.29023 655.74344
4765.0000 -95.33467 -91.37951 3.95517 2.22080 -92.02535 735.08148
4770.0000 -96.92064 -91.72170 5.19894 2.21260 -92.12132 718.54587
4775.0000 -95.86197 -91.40554 4.45643 2.22740 -91.94814 760.95531
4780.0000 -95.79176 -91.38601 4.40575 2.25933 -91.57469 761.70154
4785.0000 -95.21458 -91.88257 3.33201 2.23026 -91.91473 742.80868
4790.0000 -95.20170 -91.60589 3.59581 2.25887 -91.58015 744.50976
4795.0000 -97.93854 -93.78271 4.15583 2.16344 -92.69621 707.85460
4800.0000 -96.11787 -92.67005 3.44782 2.11386 -93.27620 650.38372
4805.0000 -95.77836 -92.12329 3.65507 2.14968 -92.85723 653.85471
4810.0000 -96.11529 -92.14168 3.97361 2.15373 -92.80984 680.35258
4815.0000 -96.56045 -93.21579 3.34466 2.12411 -93.15626 659.76206
4820.0000 -95.34952 -92.23390 3.11561 2.15397 -92.80702 667.57467
4825.0000 -95.40195 -91.51845 3.88350 2.24927 -91.69237 766.94420
4830.0000 -96.75198 -92.76897 3.98301 2.17747 -92.53216 678.07512
4835.0000 -95.89205 -92.98251 2.90955 2.13630 -93.01365 674.99985
4840.0000 -96.44464 -92.99495 3.44970 2.13043 -93.08237 678.04160
4845.0000 -95.84144 -92.14508 3.69635 2.21320 -92.11428 739.96647
4850.0000 -95.97983 -92.20056 3.77927 2.18379 -92.45829 733.80088
4855.0000 -96.07361 -91.60627 4.46734 2.21972 -92.03794 721.33182
4860.0000 -95.23520 -91.66377 3.57144 2.23813 -91.82270 723.60020
4865.0000 -96.59075 -93.43429 3.15645 2.16792 -92.64380 674.88036
4870.0000 -95.48222 -91.67583 3.80639 2.20267 -92.23736 714.58541
4875.0000 -96.11822 -91.98163 4.13659 2.23814 -91.82254 744.43973
4880.0000 -95.91641 -91.80006 4.11635 2.24551 -91.73630 765.76336
4885.0000 -95.82998 -92.02776 3.80222 2.19581 -92.31760 719.35580
4890.0000 -96.49365 -91.93346 4.56019 2.18398 -92.45606 709.11192
4895.0000 -96.58207 -92.54368 4.03839 2.16223 -92.71043 688.58305
4900.0000 -95.91351 -91.38212 4.53139 2.22646 -91.95920 744.99693
4905.0000 -95.77244 -91.36101 4.41143 2.30291 -91.06496 785.67635
4910.0000 -94.36157 -90.49898 3.86259 2.27210 -91.42534 749.34178
4915.0000 -95.14903 -90.14152 5.00751 2.37557 -90.21521 883.00831
4920.0000 -95.74567 -91.41533 4.33034 2.33435 -90.69729 769.05172
4925.0000 -95.30042 -91.60516 3.69526 2.28084 -91.32312 730.49270
4930.0000 -95.18978 -90.92481 4.26496 2.20605 -92.19790 696.53805
4935.0000 -95.58269 -92.60589 2.97680 2.28855 -91.23291 807.76508
4940.0000 -95.37903 -91.47066 3.90836 2.20973 -92.15487 742.66566
4945.0000 -94.68744 -91.02579 3.66165 2.30677 -91.01982 789.99034
4950.0000 -95.66998 -91.91297 3.75701 2.27480 -91.39382 779.36268
4955.0000 -95.95077 -92.25786 3.69290 2.21717 -92.06782 737.00618
4960.0000 -96.48092 -92.38463 4.09629 2.21277 -92.11924 745.03491
4965.0000 -96.14374 -92.20336 3.94038 2.20816 -92.17321 721.08270
4970.0000 -94.98667 -91.00165 3.98502 2.22586 -91.96619 732.08722
4975.0000 -95.96865 -92.80477 3.16388 2.20880 -92.16571 727.74273
4980.0000 -96.81044 -92.97543 3.83501 2.13967 -92.97431 705.46002
4985.0000 -95.32323 -92.15615 3.16708 2.24430 -91.75053 738.04185
4990.0000 -95.68298 -91.80135 3.88163 2.21344 -92.11149 716.87776
4995.0000 -96.67370 -93.23236 3.44134 2.15516 -92.79310 692.70553
5000.0000 -96.32902 -93.32272 3.00630 2.12534 -93.14186 636.48099
FREEZING PROCESS: loop number 21 T-loop= 710.00000000000000
main_MD> interactions number 21 at Temperature= 710.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49675 2.21593 -0.16960
force_rgl> df(natom) -1.14427 1.88075 -1.69203
5005.0000 -96.55545 -93.57983 2.97562 2.10289 -93.40451 637.43609
5010.0000 -96.67517 -93.71108 2.96410 2.07374 -93.74539 611.30500
5015.0000 -96.28601 -91.80305 4.48296 2.20791 -92.17614 737.16600
5020.0000 -95.97435 -91.24505 4.72930 2.22235 -92.00729 725.54264
5025.0000 -96.00489 -92.28606 3.71883 2.22163 -92.01572 768.19585
5030.0000 -96.15958 -93.25934 2.90024 2.09154 -93.53718 645.11690
5035.0000 -96.37024 -92.93037 3.43987 2.15435 -92.80261 684.85669
5040.0000 -95.62211 -92.17544 3.44668 2.16698 -92.65483 709.27926
5045.0000 -94.90999 -91.23325 3.67675 2.23764 -91.82836 698.25930
5050.0000 -95.04929 -90.91905 4.13024 2.30880 -90.99614 788.34265
5055.0000 -94.82276 -91.44643 3.37632 2.28897 -91.22799 765.39501
5060.0000 -95.39220 -91.14718 4.24502 2.29437 -91.16491 807.10588
5065.0000 -96.06022 -91.63473 4.42549 2.29474 -91.16053 779.74503
5070.0000 -95.66802 -91.93603 3.73199 2.23887 -91.81406 724.36341
5075.0000 -96.17793 -92.51711 3.66082 2.18445 -92.45047 676.01547
5080.0000 -95.44306 -92.36053 3.08253 2.15284 -92.82022 666.45853
5085.0000 -95.17909 -90.60898 4.57011 2.26135 -91.55109 766.88482
5090.0000 -95.89331 -92.55026 3.34305 2.31896 -90.87730 810.94555
5095.0000 -95.95445 -91.27364 4.68081 2.21173 -92.13145 721.00019
5100.0000 -96.03948 -92.38873 3.65075 2.25107 -91.67129 758.84138
5105.0000 -95.68393 -91.69309 3.99084 2.20334 -92.22957 710.82582
5110.0000 -95.13059 -91.13839 3.99219 2.22092 -92.02398 738.17100
5115.0000 -95.76111 -91.80202 3.95909 2.26731 -91.48137 770.93556
5120.0000 -96.35534 -93.15486 3.20048 2.24524 -91.73951 732.86815
5125.0000 -95.70495 -92.20026 3.50469 2.16631 -92.66266 690.67730
5130.0000 -97.06940 -93.25312 3.81628 2.21319 -92.11435 733.58174
5135.0000 -96.46977 -92.32702 4.14275 2.14554 -92.90564 699.93931
5140.0000 -96.38545 -92.10525 4.28020 2.20303 -92.23321 719.58730
5145.0000 -95.14742 -91.32064 3.82678 2.24193 -91.77821 745.90275
5150.0000 -95.19643 -90.71105 4.48538 2.27048 -91.44436 761.47246
5155.0000 -95.64680 -92.26484 3.38195 2.26485 -91.51013 792.20660
5160.0000 -96.18612 -92.93266 3.25346 2.15907 -92.74739 691.84785
5165.0000 -95.08547 -92.22381 2.86166 2.16977 -92.62220 677.12917
5170.0000 -96.40054 -93.34673 3.05381 2.12278 -93.17184 628.95280
5175.0000 -96.22397 -93.23420 2.98976 2.08345 -93.63180 628.83943
5180.0000 -96.95390 -93.93672 3.01718 2.12663 -93.12681 654.54342
5185.0000 -95.90680 -92.48361 3.42319 2.14171 -92.95044 676.88044
5190.0000 -96.41126 -92.60095 3.81031 2.21085 -92.14178 745.54400
5195.0000 -96.24235 -93.02123 3.22112 2.13105 -93.07511 672.40532
5200.0000 -96.25444 -92.69985 3.55459 2.14124 -92.95591 669.19556
5205.0000 -96.02387 -92.33637 3.68750 2.16927 -92.62806 692.84813
5210.0000 -97.13661 -93.35214 3.78447 2.14983 -92.85540 692.58961
5215.0000 -96.09043 -92.66935 3.42109 2.14979 -92.85585 660.38764
5220.0000 -95.82296 -92.23762 3.58533 2.23904 -91.81201 740.52623
5225.0000 -95.47558 -91.91885 3.55673 2.19674 -92.30681 740.00933
5230.0000 -95.19266 -91.26927 3.92339 2.24600 -91.73068 728.29449
5235.0000 -96.46519 -92.09976 4.36543 2.25469 -91.62893 767.17346
5240.0000 -95.87930 -92.34239 3.53691 2.21443 -92.09992 741.63453
5245.0000 -95.65702 -92.83157 2.82544 2.18657 -92.42574 713.55473
5250.0000 -96.24165 -92.51700 3.72465 2.14506 -92.91118 663.74104
FREEZING PROCESS: loop number 22 T-loop= 685.00000000000000
main_MD> interactions number 22 at Temperature= 685.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.42739 3.36047 5.36951
force_rgl> df(natom) 0.59065 0.16333 -0.78869
5255.0000 -97.01095 -94.15258 2.85837 2.15829 -92.75654 696.30082
5260.0000 -97.33766 -94.22857 3.10910 2.06348 -93.86543 598.95236
5265.0000 -96.99775 -93.67276 3.32499 2.05222 -93.99705 627.43346
5270.0000 -97.33293 -93.88019 3.45275 2.07902 -93.68367 612.67157
5275.0000 -97.06375 -93.74454 3.31921 2.08220 -93.64650 620.82908
5280.0000 -96.33214 -92.43877 3.89336 2.09711 -93.47203 633.14091
5285.0000 -96.10649 -92.67441 3.43208 2.18416 -92.45395 692.53486
5290.0000 -95.59187 -92.46915 3.12273 2.20500 -92.21014 743.51614
5295.0000 -95.71104 -92.77487 2.93617 2.15786 -92.76149 672.20539
5300.0000 -94.67653 -91.94007 2.73646 2.17950 -92.50836 690.94996
5305.0000 -96.91266 -92.89694 4.01572 2.19813 -92.29048 702.09565
5310.0000 -96.33156 -93.06959 3.26197 2.12066 -93.19665 649.57440
5315.0000 -95.13271 -91.63433 3.49839 2.19217 -92.36027 667.47771
5320.0000 -95.18334 -91.10341 4.07992 2.25400 -91.63707 739.72811
5325.0000 -96.88653 -91.86483 5.02170 2.28640 -91.25812 789.13486
5330.0000 -95.48256 -92.14387 3.33870 2.17911 -92.51296 695.90140
5335.0000 -96.34818 -92.77056 3.57762 2.18652 -92.42628 710.22333
5340.0000 -96.66204 -93.76196 2.90008 2.13679 -93.00789 676.68267
5345.0000 -96.68666 -93.42839 3.25827 2.11346 -93.28087 660.13144
5350.0000 -97.49556 -94.26180 3.23377 2.08657 -93.59538 639.14633
5355.0000 -95.71460 -92.52970 3.18490 2.11084 -93.31141 639.30523
5360.0000 -97.43435 -94.34409 3.09026 2.05750 -93.93536 611.82105
5365.0000 -97.03270 -93.46683 3.56587 2.05844 -93.92431 616.61532
5370.0000 -95.80787 -92.13162 3.67626 2.15654 -92.77696 683.29062
5375.0000 -95.75241 -92.01225 3.74016 2.20047 -92.26317 704.42416
5380.0000 -96.67117 -93.32445 3.34672 2.12131 -93.18904 628.69727
5385.0000 -97.28455 -94.11370 3.17084 2.07751 -93.70131 639.80211
5390.0000 -96.34722 -93.98278 2.36444 2.10488 -93.38115 651.31750
5395.0000 -96.54393 -93.23642 3.30751 2.11615 -93.24937 617.15081
5400.0000 -95.62614 -92.16377 3.46237 2.18061 -92.49539 668.95810
5405.0000 -96.37724 -91.86071 4.51652 2.20474 -92.21322 750.61905
5410.0000 -96.02945 -92.47859 3.55086 2.17812 -92.52459 718.55679
5415.0000 -97.02078 -93.19945 3.82133 2.10910 -93.33180 675.09935
5420.0000 -96.29297 -93.10702 3.18595 2.12332 -93.16553 648.47456
5425.0000 -95.74183 -92.05571 3.68612 2.16973 -92.62271 701.41673
5430.0000 -96.33692 -93.42283 2.91409 2.15870 -92.75163 690.18694
5435.0000 -96.70336 -93.44983 3.25353 2.15137 -92.83744 658.98911
5440.0000 -96.13436 -92.61105 3.52331 2.14211 -92.94569 637.35334
5445.0000 -96.86336 -93.42830 3.43506 2.13058 -93.08063 644.39299
5450.0000 -95.90159 -92.93318 2.96841 2.14956 -92.85863 667.11206
5455.0000 -95.84407 -92.97050 2.87357 2.16168 -92.71681 670.00233
5460.0000 -95.47919 -91.23441 4.24478 2.23772 -91.82753 735.93849
5465.0000 -95.94257 -92.01098 3.93159 2.29496 -91.15798 824.90297
5470.0000 -95.80959 -91.35650 4.45309 2.24658 -91.72384 773.34507
5475.0000 -95.17529 -92.25455 2.92075 2.19345 -92.34521 718.09572
5480.0000 -96.00498 -91.80597 4.19902 2.23099 -91.90619 704.75278
5485.0000 -96.02090 -92.40832 3.61258 2.23772 -91.82745 753.71782
5490.0000 -96.09054 -91.07027 5.02027 2.23895 -91.81310 733.11238
5495.0000 -95.99918 -92.26465 3.73453 2.22505 -91.97567 735.40646
5500.0000 -96.06536 -92.04052 4.02484 2.22414 -91.98635 734.64258
FREEZING PROCESS: loop number 23 T-loop= 660.00000000000000
main_MD> interactions number 23 at Temperature= 660.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07806 1.78496 -1.81213
force_rgl> df(natom) 0.73420 2.13926 0.36200
5505.0000 -96.57464 -93.21374 3.36090 2.13300 -93.05232 657.35891
5510.0000 -96.74736 -93.87745 2.86991 2.08724 -93.58753 631.58175
5515.0000 -96.52582 -93.81995 2.70587 2.08958 -93.56013 609.12016
5520.0000 -96.54477 -93.00457 3.54020 2.08802 -93.57837 611.77330
5525.0000 -96.31277 -93.30619 3.00657 2.12736 -93.11824 665.25570
5530.0000 -96.66098 -93.40203 3.25895 2.09781 -93.46385 647.42415
5535.0000 -96.90647 -93.47627 3.43021 2.13079 -93.07810 674.09417
5540.0000 -96.84888 -93.19975 3.64913 2.06946 -93.79549 618.50052
5545.0000 -97.25102 -93.50341 3.74761 2.06215 -93.88096 603.97118
5550.0000 -97.71146 -94.74935 2.96211 2.05632 -93.94917 607.01273
5555.0000 -97.47879 -94.58975 2.88903 1.99224 -94.69864 553.44996
5560.0000 -97.16413 -94.41027 2.75386 2.01879 -94.38813 567.70087
5565.0000 -96.49635 -93.50174 2.99461 2.06530 -93.84407 602.29358
5570.0000 -96.24838 -92.65526 3.59312 2.13292 -93.05316 661.76626
5575.0000 -96.58516 -93.03235 3.55281 2.17014 -92.61786 695.65674
5580.0000 -96.29840 -92.86309 3.43531 2.14042 -92.96555 677.35473
5585.0000 -97.57522 -94.20753 3.36769 2.04175 -94.11957 597.33357
5590.0000 -95.92815 -92.53589 3.39226 2.10037 -93.43390 637.38912
5595.0000 -96.67452 -93.19151 3.48302 2.17297 -92.58475 717.46292
5600.0000 -96.82673 -93.18582 3.64091 2.13836 -92.98958 674.02279
5605.0000 -97.43269 -93.43266 4.00003 2.13159 -93.06883 656.52930
5610.0000 -96.91950 -92.93727 3.98222 2.08511 -93.61239 613.57101
5615.0000 -96.64119 -92.95015 3.69104 2.15583 -92.78525 705.47155
5620.0000 -97.14545 -94.11864 3.02681 2.08989 -93.55653 627.65872
5625.0000 -97.01949 -93.15261 3.86688 2.11506 -93.26216 660.76289
5630.0000 -96.13637 -93.40640 2.72998 2.14406 -92.92298 659.09524
5635.0000 -97.39809 -93.09718 4.30091 2.11640 -93.24646 637.26702
5640.0000 -97.09698 -93.54568 3.55130 2.11512 -93.26145 666.91856
5645.0000 -96.90501 -93.64138 3.26363 2.07673 -93.71047 644.36173
5650.0000 -96.97371 -92.97776 3.99594 2.12049 -93.19859 660.58519
5655.0000 -95.84654 -93.14356 2.70299 2.10506 -93.37906 628.52567
5660.0000 -97.15675 -92.87985 4.27689 2.12765 -93.11489 665.03249
5665.0000 -96.49902 -92.34783 4.15119 2.22155 -92.01658 749.50775
5670.0000 -95.15556 -91.86185 3.29370 2.17322 -92.58182 661.91407
5675.0000 -96.37434 -92.80044 3.57389 2.16361 -92.69422 652.54489
5680.0000 -96.44401 -92.94824 3.49577 2.13397 -93.04093 646.10699
5685.0000 -97.32201 -93.27986 4.04215 2.11598 -93.25132 644.73001
5690.0000 -97.27522 -93.84964 3.42558 2.06444 -93.85412 655.99086
5695.0000 -97.36085 -93.69348 3.66737 2.01454 -94.43782 620.84600
5700.0000 -95.65518 -92.27077 3.38441 2.14619 -92.89796 689.41118
5705.0000 -97.84645 -94.32125 3.52521 2.12393 -93.15839 650.44401
5710.0000 -97.03148 -94.18073 2.85075 2.00349 -94.56709 567.01964
5715.0000 -96.71420 -93.83874 2.87546 2.07633 -93.71515 586.62439
5720.0000 -96.17638 -92.98477 3.19161 2.09627 -93.48191 610.27055
5725.0000 -95.83451 -91.69210 4.14241 2.18998 -92.38581 712.66519
5730.0000 -96.66285 -92.81585 3.84699 2.21950 -92.04058 689.19653
5735.0000 -96.92158 -92.99853 3.92305 2.11298 -93.28643 638.08469
5740.0000 -96.67040 -93.38962 3.28078 2.14066 -92.96267 647.65630
5745.0000 -97.29683 -94.01034 3.28649 2.08615 -93.60024 631.51793
5750.0000 -95.77991 -92.15707 3.62283 2.14982 -92.85560 684.65605
FREEZING PROCESS: loop number 24 T-loop= 635.00000000000000
main_MD> interactions number 24 at Temperature= 635.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.60507 0.43977 0.88466
force_rgl> df(natom) 0.20934 0.30692 5.31066
5755.0000 -97.41347 -93.18739 4.22608 2.17268 -92.58820 707.20611
5760.0000 -96.84403 -92.93609 3.90794 2.12938 -93.09468 670.25383
5765.0000 -95.03390 -92.18271 2.85119 2.17123 -92.60510 686.67225
5770.0000 -96.25877 -92.57538 3.68339 2.19758 -92.29699 734.90621
5775.0000 -97.69008 -94.13450 3.55559 2.07358 -93.74731 600.52174
5780.0000 -96.48639 -92.33114 4.15525 2.13081 -93.07791 663.02873
5785.0000 -96.09235 -92.80282 3.28953 2.18227 -92.47603 701.82706
5790.0000 -96.15277 -93.07883 3.07394 2.16574 -92.66935 666.37113
5795.0000 -95.33717 -92.54400 2.79316 2.15253 -92.82389 672.62399
5800.0000 -96.19519 -92.79619 3.39900 2.19826 -92.28901 689.98294
5805.0000 -96.38064 -93.11683 3.26381 2.11618 -93.24899 658.83198
5810.0000 -96.69106 -93.39158 3.29947 2.15671 -92.77499 669.47922
5815.0000 -97.66990 -94.31383 3.35607 2.03637 -94.18246 585.58472
5820.0000 -97.63795 -94.23202 3.40593 2.04981 -94.02526 607.19202
5825.0000 -96.21798 -93.23970 2.97828 2.09749 -93.46757 661.71133
5830.0000 -97.08017 -94.47831 2.60187 2.06043 -93.90108 606.84892
5835.0000 -96.85052 -94.35116 2.49936 2.00699 -94.52607 557.91496
5840.0000 -96.82888 -93.69349 3.13539 2.05504 -93.96413 592.07190
5845.0000 -95.69850 -92.72940 2.96909 2.12494 -93.14651 645.79282
5850.0000 -96.31807 -92.87763 3.44044 2.15279 -92.82076 655.21178
5855.0000 -97.11452 -93.65168 3.46284 2.10407 -93.39071 626.87751
5860.0000 -97.26709 -93.63412 3.63297 2.09948 -93.44433 636.79047
5865.0000 -95.90374 -91.90361 4.00013 2.15854 -92.75356 689.57808
5870.0000 -96.09462 -91.03264 5.06198 2.22065 -92.02711 711.65151
5875.0000 -96.08092 -92.17537 3.90555 2.28525 -91.27158 800.19933
5880.0000 -95.83814 -91.99407 3.84408 2.25689 -91.60325 760.73604
5885.0000 -95.51744 -92.42954 3.08790 2.20504 -92.20975 702.58884
5890.0000 -96.92691 -93.83786 3.08904 2.14587 -92.90175 658.32503
5895.0000 -96.96827 -94.03281 2.93546 2.08001 -93.67207 583.04430
5900.0000 -96.99524 -93.75654 3.23870 2.07589 -93.72030 580.68955
5905.0000 -95.79135 -92.74965 3.04170 2.13595 -93.01772 637.95298
5910.0000 -95.62936 -91.75642 3.87294 2.22079 -92.02543 725.23687
5915.0000 -96.97900 -93.02924 3.94975 2.15751 -92.76556 662.68466
5920.0000 -96.61997 -93.12847 3.49150 2.11973 -93.20754 657.31038
5925.0000 -97.21219 -93.53089 3.68130 2.11766 -93.23169 647.34160
5930.0000 -96.23745 -92.95095 3.28650 2.14279 -92.93777 671.96325
5935.0000 -96.62746 -92.32412 4.30335 2.13124 -93.07291 660.87680
5940.0000 -96.44170 -93.06009 3.38161 2.15014 -92.85180 687.44901
5945.0000 -97.45119 -93.77534 3.67585 2.11175 -93.30084 676.26643
5950.0000 -95.88577 -92.32275 3.56302 2.12041 -93.19955 671.88610
5955.0000 -96.15997 -92.14442 4.01555 2.17797 -92.52629 713.35725
5960.0000 -97.02664 -93.65167 3.37497 2.14158 -92.95189 683.77923
5965.0000 -96.80676 -94.36588 2.44088 2.06287 -93.87251 609.51519
5970.0000 -96.50200 -93.41996 3.08204 2.05941 -93.91298 576.51890
5975.0000 -96.10979 -93.01902 3.09077 2.13076 -93.07843 669.44196
5980.0000 -96.87867 -93.03733 3.84134 2.06668 -93.82795 614.25184
5985.0000 -95.88686 -92.83039 3.05647 2.14870 -92.86863 686.11190
5990.0000 -96.88609 -93.70762 3.17847 2.12699 -93.12261 634.87039
5995.0000 -96.69439 -94.08516 2.60923 2.08597 -93.60237 601.97853
6000.0000 -96.64240 -92.90775 3.73465 2.11898 -93.21624 651.59875
FREEZING PROCESS: loop number 25 T-loop= 610.00000000000000
main_MD> interactions number 25 at Temperature= 610.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69067 -3.40986 0.49617
force_rgl> df(natom) -1.37241 0.60418 0.65124
6005.0000 -96.61715 -93.99671 2.62043 2.10577 -93.37075 661.85055
6010.0000 -97.45437 -93.91413 3.54024 2.04484 -94.08346 609.24435
6015.0000 -97.02346 -93.64843 3.37503 2.07352 -93.74791 623.86733
6020.0000 -96.62362 -93.39540 3.22822 2.12333 -93.16543 644.00864
6025.0000 -96.73340 -93.11712 3.61628 2.09557 -93.49012 601.67582
6030.0000 -97.45197 -94.34787 3.10410 2.08647 -93.59653 612.88891
6035.0000 -96.54649 -93.40590 3.14059 2.04467 -94.08544 549.31307
6040.0000 -96.69345 -93.77433 2.91911 2.07666 -93.71124 598.36812
6045.0000 -97.05214 -93.49178 3.56035 2.11059 -93.31436 624.62208
6050.0000 -96.67263 -93.99324 2.67939 2.10305 -93.40262 649.85889
6055.0000 -96.61773 -93.78294 2.83479 2.09062 -93.54801 626.44321
6060.0000 -97.06978 -93.94973 3.12005 2.04756 -94.05157 575.18510
6065.0000 -97.21585 -93.88611 3.32974 2.05708 -93.94026 587.44156
6070.0000 -96.94934 -94.30709 2.64225 2.03496 -94.19901 596.54376
6075.0000 -97.89372 -94.74987 3.14385 2.02239 -94.34599 609.04177
6080.0000 -97.39668 -94.13980 3.25688 2.00671 -94.52941 568.98030
6085.0000 -97.80102 -93.78796 4.01306 2.06747 -93.81869 624.21844
6090.0000 -96.58605 -94.07279 2.51326 2.12687 -93.12399 653.62956
6095.0000 -97.37532 -94.15239 3.22293 2.01713 -94.40748 577.85168
6100.0000 -96.42257 -93.72269 2.69988 2.07724 -93.70442 636.62190
6105.0000 -96.55095 -93.99700 2.55395 2.06534 -93.84361 597.46398
6110.0000 -97.45702 -94.44845 3.00857 2.05310 -93.98684 582.56090
6115.0000 -97.40483 -93.28780 4.11703 2.06827 -93.80932 596.21561
6120.0000 -96.26766 -92.21943 4.04823 2.16358 -92.69457 702.07455
6125.0000 -96.19770 -92.45825 3.73945 2.19022 -92.38305 714.95546
6130.0000 -95.40145 -91.89605 3.50540 2.16268 -92.70517 708.25458
6135.0000 -96.44928 -92.70632 3.74295 2.16856 -92.63631 692.68844
6140.0000 -96.48684 -93.38746 3.09938 2.09977 -93.44097 623.14514
6145.0000 -96.69499 -93.55313 3.14186 2.06080 -93.89671 597.11854
6150.0000 -97.56823 -93.79265 3.77558 2.10301 -93.40309 643.46554
6155.0000 -97.25327 -94.22544 3.02783 2.09611 -93.48377 612.27483
6160.0000 -97.56647 -93.88776 3.67872 2.06055 -93.89969 641.04955
6165.0000 -96.40673 -93.00479 3.40195 2.08276 -93.63989 618.75847
6170.0000 -95.43595 -92.79201 2.64394 2.08886 -93.56849 594.00951
6175.0000 -97.30041 -93.91730 3.38311 2.10419 -93.38924 589.46004
6180.0000 -97.16136 -94.12796 3.03340 2.06962 -93.79364 611.82899
6185.0000 -96.73804 -93.88056 2.85749 2.07102 -93.77717 621.67686
6190.0000 -97.35562 -94.09298 3.26265 2.03968 -94.14373 576.50731
6195.0000 -96.63076 -93.48556 3.14520 2.07708 -93.70628 610.93436
6200.0000 -95.44480 -92.14617 3.29863 2.13671 -93.00889 681.99006
6205.0000 -96.60016 -93.38621 3.21394 2.14909 -92.86412 659.70318
6210.0000 -95.92807 -92.92170 3.00637 2.13576 -93.01999 644.15134
6215.0000 -96.70319 -92.99266 3.71053 2.13738 -93.00100 647.68756
6220.0000 -97.26668 -94.38017 2.88651 2.07850 -93.68974 607.04958
6225.0000 -97.33311 -94.49773 2.83537 1.99501 -94.66625 550.55639
6230.0000 -97.64946 -94.85384 2.79562 2.02623 -94.30112 580.45959
6235.0000 -96.94542 -93.15468 3.79074 2.07127 -93.77431 601.23419
6240.0000 -96.05026 -93.26037 2.78989 2.09143 -93.53850 636.95583
6245.0000 -96.83031 -93.16145 3.66886 2.15137 -92.83744 656.89987
6250.0000 -96.43668 -92.71711 3.71957 2.13696 -93.00593 693.19083
FREEZING PROCESS: loop number 26 T-loop= 585.00000000000000
main_MD> interactions number 26 at Temperature= 585.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.91865 -1.25561 -0.38423
force_rgl> df(natom) -1.51631 1.89222 6.01982
6255.0000 -96.45776 -93.75360 2.70416 2.07025 -93.78626 599.57089
6260.0000 -96.71821 -93.31285 3.40536 2.08830 -93.57504 596.79294
6265.0000 -96.29725 -93.56986 2.72739 2.08508 -93.61281 649.63306
6270.0000 -96.38877 -92.99617 3.39261 2.13964 -92.97466 677.93947
6275.0000 -96.90887 -93.38005 3.52883 2.16452 -92.68364 687.56151
6280.0000 -97.40390 -94.02252 3.38138 2.07930 -93.68033 605.53027
6285.0000 -96.56666 -93.61483 2.95183 2.08560 -93.60670 613.56072
6290.0000 -96.85047 -93.50716 3.34331 2.07118 -93.77536 616.73561
6295.0000 -96.47732 -93.27202 3.20531 2.09943 -93.44489 639.04267
6300.0000 -96.57399 -93.87995 2.69404 2.07202 -93.76551 582.28950
6305.0000 -96.77723 -94.12965 2.64757 2.03785 -94.16512 565.36682
6310.0000 -96.23880 -93.09021 3.14859 2.08635 -93.59796 638.97812
6315.0000 -98.07241 -94.60818 3.46423 2.06660 -93.82886 626.35481
6320.0000 -97.35477 -95.00713 2.34764 1.98300 -94.80666 529.85401
6325.0000 -97.14380 -94.62292 2.52087 2.01653 -94.41452 534.61486
6330.0000 -97.61240 -94.79667 2.81573 1.96683 -94.99582 524.41879
6335.0000 -97.96167 -94.42127 3.54041 2.01538 -94.42802 584.24729
6340.0000 -96.88638 -93.74797 3.13841 2.05276 -93.99074 582.78834
6345.0000 -97.06215 -94.27014 2.79201 2.04384 -94.09508 586.65918
6350.0000 -97.03798 -94.37995 2.65803 2.04286 -94.10654 597.72373
6355.0000 -97.64507 -94.77571 2.86937 1.96042 -95.07074 517.98288
6360.0000 -98.43833 -95.34695 3.09137 1.96621 -95.00303 530.08533
6365.0000 -98.06668 -95.02416 3.04252 1.97605 -94.88802 551.45245
6370.0000 -97.63864 -94.75580 2.88285 1.96900 -94.97040 538.50734
6375.0000 -97.60441 -95.28222 2.32219 1.95054 -95.18636 501.49549
6380.0000 -96.85888 -94.33788 2.52100 1.98639 -94.76704 542.80472
6385.0000 -97.45660 -94.09678 3.35982 2.02020 -94.37162 586.73525
6390.0000 -97.33480 -94.84129 2.49351 2.03242 -94.22863 612.66077
6395.0000 -97.96838 -95.15803 2.81035 1.98532 -94.77954 567.32019
6400.0000 -96.13089 -93.34888 2.78200 2.01113 -94.47764 531.33793
6405.0000 -96.68723 -93.66629 3.02094 2.08047 -93.66662 621.28183
6410.0000 -96.98488 -94.11926 2.86563 2.05470 -93.96810 588.81008
6415.0000 -97.06391 -94.61507 2.44883 2.04231 -94.11301 586.61405
6420.0000 -97.62626 -94.51313 3.11313 2.01741 -94.40427 580.98196
6425.0000 -97.53385 -94.11905 3.41480 2.01313 -94.45430 552.73013
6430.0000 -97.39352 -94.17018 3.22335 2.04271 -94.10834 596.78097
6435.0000 -97.19505 -94.37738 2.81767 2.04594 -94.07051 605.67777
6440.0000 -97.80119 -95.12423 2.67696 2.00930 -94.49912 577.51776
6445.0000 -97.09661 -94.66560 2.43101 1.95052 -95.18660 487.24312
6450.0000 -97.60129 -94.30580 3.29549 2.02473 -94.31856 575.53671
6455.0000 -96.73742 -93.97334 2.76409 2.02208 -94.34958 578.67361
6460.0000 -98.38972 -94.98693 3.40279 1.98808 -94.74727 545.15783
6465.0000 -97.62503 -94.07658 3.54844 2.00171 -94.58790 579.31096
6470.0000 -96.98239 -93.83971 3.14268 2.04872 -94.03802 583.60388
6475.0000 -98.43275 -95.17986 3.25289 2.02770 -94.28390 577.07731
6480.0000 -97.40670 -94.51439 2.89231 1.99213 -94.69985 571.31428
6485.0000 -97.22207 -93.98735 3.23472 2.06120 -93.89211 616.28822
6490.0000 -97.26653 -94.07660 3.18994 2.07245 -93.76047 624.22104
6495.0000 -97.24426 -94.49436 2.74990 2.01984 -94.37577 562.56159
6500.0000 -97.55193 -94.95250 2.59943 2.00371 -94.56445 565.41406
FREEZING PROCESS: loop number 27 T-loop= 560.00000000000000
main_MD> interactions number 27 at Temperature= 560.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08482 -1.56122 2.52494
force_rgl> df(natom) 0.50604 2.49839 1.77269
6505.0000 -97.20536 -94.78842 2.41694 2.00291 -94.57377 552.85363
6510.0000 -97.97451 -94.66651 3.30800 2.02213 -94.34908 593.99237
6515.0000 -97.42530 -94.49145 2.93385 2.03596 -94.18726 579.25927
6520.0000 -96.34998 -93.78304 2.56694 2.02582 -94.30588 569.97391
6525.0000 -97.13082 -94.07366 3.05716 2.05227 -93.99647 607.83014
6530.0000 -97.49793 -94.01870 3.47924 2.07066 -93.78143 575.09257
6535.0000 -97.71095 -94.53349 3.17745 2.05337 -93.98358 595.79025
6540.0000 -97.47359 -94.75765 2.71593 2.00074 -94.59923 563.20990
6545.0000 -96.58789 -93.82728 2.76061 2.06432 -93.85560 617.73187
6550.0000 -97.20475 -94.10169 3.10306 2.04371 -94.09661 603.10672
6555.0000 -97.41619 -94.99800 2.41819 2.00037 -94.60355 538.97479
6560.0000 -97.47994 -94.89952 2.58043 1.98205 -94.81775 496.27611
6565.0000 -97.01631 -94.37540 2.64091 2.00665 -94.53005 532.14495
6570.0000 -97.08558 -93.62637 3.45921 2.03374 -94.21328 579.41252
6575.0000 -97.79885 -95.12503 2.67383 1.99948 -94.61395 539.82272
6580.0000 -97.51355 -94.61527 2.89828 1.98922 -94.73391 514.94415
6585.0000 -97.09026 -94.14490 2.94536 2.01529 -94.42900 535.60796
6590.0000 -97.38883 -94.99338 2.39545 2.02801 -94.28025 568.37644
6595.0000 -97.59836 -94.81202 2.78634 1.97684 -94.87873 529.92939
6600.0000 -97.24276 -94.51235 2.73041 1.99599 -94.65470 552.90454
6605.0000 -97.61505 -94.61165 3.00341 2.00525 -94.54640 582.50394
6610.0000 -97.38988 -94.54548 2.84439 2.02841 -94.27559 598.98575
6615.0000 -97.12812 -94.87616 2.25196 1.99497 -94.66674 514.97131
6620.0000 -97.56367 -94.48457 3.07911 1.99723 -94.64022 517.98546
6625.0000 -96.85499 -94.03215 2.82284 2.07510 -93.72946 584.94592
6630.0000 -96.74950 -94.20739 2.54212 2.06288 -93.87241 593.01785
6635.0000 -96.98542 -93.48645 3.49897 2.08979 -93.55772 611.23532
6640.0000 -96.26526 -93.46249 2.80277 2.08927 -93.56378 581.36808
6645.0000 -96.57718 -93.78399 2.79319 2.08725 -93.58743 619.13337
6650.0000 -97.44940 -94.09944 3.34996 2.06181 -93.88489 595.21068
6655.0000 -97.36579 -94.79423 2.57156 2.01248 -94.46184 557.26464
6660.0000 -96.28787 -93.57651 2.71136 2.00786 -94.51592 536.80541
6665.0000 -97.41513 -93.93744 3.47769 2.05555 -93.95811 577.79964
6670.0000 -97.41336 -94.75192 2.66144 1.99679 -94.64544 549.38497
6675.0000 -96.97832 -94.25960 2.71872 2.03157 -94.23864 569.15778
6680.0000 -97.08683 -93.87723 3.20960 2.06009 -93.90504 598.64027
6685.0000 -97.10375 -94.05768 3.04607 2.00905 -94.50199 574.10566
6690.0000 -97.59382 -94.56556 3.02826 2.00558 -94.54257 580.60038
6695.0000 -97.54374 -93.77503 3.76871 2.01309 -94.45477 588.89391
6700.0000 -98.15534 -94.84380 3.31154 2.00724 -94.52321 609.66082
6705.0000 -96.72893 -94.75852 1.97042 2.00043 -94.60281 545.57136
6710.0000 -97.00003 -94.18768 2.81235 2.00553 -94.54321 548.21684
6715.0000 -96.99523 -93.83639 3.15884 2.03820 -94.16108 579.85962
6720.0000 -96.57121 -94.44136 2.12985 2.06860 -93.80550 593.77944
6725.0000 -97.11535 -94.13992 2.97543 2.02704 -94.29156 592.58126
6730.0000 -97.87085 -95.10023 2.77063 2.01879 -94.38810 555.80476
6735.0000 -97.56047 -94.82399 2.73647 1.96478 -95.01982 520.92440
6740.0000 -97.08503 -94.40227 2.68277 2.00005 -94.60728 553.08705
6745.0000 -97.85363 -95.48695 2.36668 1.94045 -95.30442 500.81537
6750.0000 -97.24711 -94.52840 2.71871 1.97791 -94.86624 519.27406
FREEZING PROCESS: loop number 28 T-loop= 535.00000000000000
main_MD> interactions number 28 at Temperature= 535.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.20544 1.37568 0.76081
force_rgl> df(natom) 0.48055 2.02788 -0.62142
6755.0000 -97.24357 -94.47833 2.76524 2.02104 -94.36182 578.09971
6760.0000 -97.04863 -94.81070 2.23792 1.99578 -94.65723 558.22045
6765.0000 -97.52695 -94.48198 3.04497 2.03716 -94.17322 554.99018
6770.0000 -97.23013 -94.61219 2.61794 1.98545 -94.77807 522.40263
6775.0000 -97.71981 -95.09900 2.62081 1.98428 -94.79171 546.20384
6780.0000 -98.04566 -95.19629 2.84937 1.98319 -94.80447 538.07908
6785.0000 -97.47168 -94.49768 2.97400 1.97034 -94.95480 534.85112
6790.0000 -97.87586 -95.19023 2.68563 1.97938 -94.84903 543.21064
6795.0000 -97.46506 -93.86817 3.59689 2.00774 -94.51728 549.36440
6800.0000 -97.24247 -94.53409 2.70838 2.04058 -94.13318 593.81971
6805.0000 -97.38793 -94.21743 3.17050 2.00826 -94.51120 566.10596
6810.0000 -96.94968 -94.33303 2.61666 2.02746 -94.28671 568.01079
6815.0000 -97.31456 -93.85694 3.45763 2.03957 -94.14499 569.21399
6820.0000 -96.28588 -93.57112 2.71476 2.05816 -93.92759 569.41916
6825.0000 -97.34904 -94.49536 2.85368 2.09306 -93.51937 597.84615
6830.0000 -97.21397 -94.34482 2.86915 2.02782 -94.28242 579.34797
6835.0000 -98.05143 -94.91063 3.14080 1.99031 -94.72115 561.87173
6840.0000 -97.36174 -94.95430 2.40744 1.97201 -94.93524 529.82262
6845.0000 -98.04206 -95.07887 2.96319 1.96857 -94.97550 527.85067
6850.0000 -98.80099 -95.63062 3.17037 1.96654 -94.99922 537.19345
6855.0000 -97.99930 -95.14125 2.85805 1.93154 -95.40855 507.20563
6860.0000 -97.74130 -94.58001 3.16129 1.94575 -95.24237 493.18698
6865.0000 -97.37091 -94.92332 2.44759 2.01765 -94.40146 566.79699
6870.0000 -97.41948 -94.25216 3.16732 2.00199 -94.58453 555.23326
6875.0000 -97.39250 -94.46052 2.93198 2.00402 -94.56083 548.50189
6880.0000 -97.26752 -93.89114 3.37638 2.03209 -94.23250 601.62430
6885.0000 -97.15015 -94.56505 2.58510 2.05245 -93.99438 604.46867
6890.0000 -97.43478 -94.96786 2.46691 1.97735 -94.87277 523.55258
6895.0000 -97.65429 -95.05032 2.60397 1.95093 -95.18178 538.89415
6900.0000 -98.24473 -95.63337 2.61136 1.91919 -95.55303 503.93829
6905.0000 -98.09211 -95.69349 2.39862 1.89360 -95.85226 464.12144
6910.0000 -98.33740 -95.57338 2.76402 1.92985 -95.42829 519.64652
6915.0000 -98.87429 -96.32107 2.55322 1.90056 -95.77093 513.13822
6920.0000 -98.75739 -96.03006 2.72733 1.85920 -96.25462 481.67016
6925.0000 -97.76986 -95.45392 2.31594 1.87901 -96.02302 488.30589
6930.0000 -99.33184 -96.10421 3.22763 1.91085 -95.65055 520.35782
6935.0000 -98.77230 -95.76916 3.00314 1.89589 -95.82552 523.24852
6940.0000 -97.71411 -94.68735 3.02676 1.93340 -95.38686 533.62036
6945.0000 -97.44838 -94.69943 2.74895 1.95384 -95.14778 557.65310
6950.0000 -98.57337 -95.88547 2.68790 1.93972 -95.31287 549.46452
6955.0000 -98.33245 -95.27311 3.05934 1.92916 -95.43636 542.70397
6960.0000 -98.19510 -95.49272 2.70238 1.95485 -95.13595 581.43470
6965.0000 -97.74358 -95.46868 2.27490 1.95474 -95.13724 561.87286
6970.0000 -97.63542 -94.86305 2.77237 1.96141 -95.05918 508.12696
6975.0000 -97.41382 -94.54766 2.86615 1.98813 -94.74665 523.07224
6980.0000 -97.78292 -95.07960 2.70333 1.97717 -94.87483 554.21292
6985.0000 -98.05850 -94.62938 3.42912 1.94270 -95.27801 536.62793
6990.0000 -97.99450 -94.60835 3.38616 1.99115 -94.71132 581.76431
6995.0000 -97.62454 -94.82772 2.79682 1.97204 -94.93486 537.52216
7000.0000 -98.48882 -95.89688 2.59194 1.95212 -95.16792 512.37938
FREEZING PROCESS: loop number 29 T-loop= 510.00000000000000
main_MD> interactions number 29 at Temperature= 510.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.82712 -2.87519 6.26481
force_rgl> df(natom) -1.48495 0.80834 1.14032
7005.0000 -97.95361 -95.55613 2.39748 1.89875 -95.79210 470.89134
7010.0000 -97.58121 -94.98434 2.59686 1.95023 -95.19003 481.49713
7015.0000 -97.77356 -95.44147 2.33209 1.97028 -94.95541 496.37671
7020.0000 -98.37723 -95.96316 2.41407 1.93706 -95.34400 514.21478
7025.0000 -98.43010 -95.84645 2.58364 1.91759 -95.57172 488.62216
7030.0000 -98.46953 -96.25113 2.21840 1.88264 -95.98049 455.69925
7035.0000 -97.63122 -95.39690 2.23432 1.89370 -95.85113 471.23751
7040.0000 -98.43393 -96.65554 1.77839 1.84228 -96.45258 418.66601
7045.0000 -98.52409 -96.56391 1.96018 1.81251 -96.80073 410.28817
7050.0000 -98.31747 -96.41651 1.90095 1.86140 -96.22889 438.05741
7055.0000 -98.14788 -95.97483 2.17305 1.84864 -96.37821 397.77357
7060.0000 -97.32755 -94.23229 3.09526 1.99837 -94.62692 565.55645
7065.0000 -96.86817 -94.37820 2.48997 2.00766 -94.51825 554.90137
7070.0000 -97.43891 -94.92306 2.51585 1.98690 -94.76105 537.57233
7075.0000 -98.26893 -95.50403 2.76491 1.92778 -95.45256 491.96572
7080.0000 -97.82574 -95.18485 2.64090 1.97024 -94.95591 537.75299
7085.0000 -96.57048 -94.17856 2.39192 1.98739 -94.75536 516.32507
7090.0000 -97.40385 -94.65896 2.74489 2.02023 -94.37125 544.19882
7095.0000 -97.47434 -94.96192 2.51242 2.00713 -94.52441 528.14250
7100.0000 -96.63817 -93.71179 2.92638 2.01289 -94.45704 534.08605
7105.0000 -97.98624 -95.09909 2.88715 2.00417 -94.55908 568.00572
7110.0000 -98.38840 -96.01147 2.37694 1.93279 -95.39395 491.54561
7115.0000 -98.18323 -95.48518 2.69805 1.89887 -95.79063 475.19331
7120.0000 -97.66043 -95.25614 2.40429 1.91284 -95.62727 481.86748
7125.0000 -98.15185 -94.63943 3.51242 1.95853 -95.09295 520.88417
7130.0000 -97.17917 -94.28695 2.89222 1.97202 -94.93515 541.75300
7135.0000 -98.34458 -95.10741 3.23717 1.98612 -94.77018 561.35094
7140.0000 -97.88993 -95.54144 2.34849 1.92636 -95.46911 486.94534
7145.0000 -97.69109 -95.20166 2.48944 1.91369 -95.61729 465.87658
7150.0000 -98.26445 -95.65853 2.60592 1.97331 -94.92008 535.98777
7155.0000 -97.86875 -95.43257 2.43619 1.91657 -95.58362 477.94847
7160.0000 -97.85497 -95.55799 2.29698 1.91563 -95.59461 463.52251
7165.0000 -98.21181 -95.60656 2.60525 1.91878 -95.55784 497.21459
7170.0000 -98.08895 -95.18074 2.90821 1.94626 -95.23643 508.51508
7175.0000 -98.65653 -95.94679 2.70974 1.93652 -95.35034 500.49283
7180.0000 -97.43126 -95.12927 2.30200 1.93811 -95.33168 490.89512
7185.0000 -97.68814 -94.60184 3.08629 1.96869 -94.97408 507.55510
7190.0000 -97.47755 -94.82511 2.65244 1.95819 -95.09692 517.35475
7195.0000 -97.79719 -94.60169 3.19550 1.96584 -95.00735 530.20506
7200.0000 -97.52047 -94.91502 2.60546 1.97853 -94.85903 529.33584
7205.0000 -97.01915 -94.69024 2.32891 1.98810 -94.74709 504.57494
7210.0000 -97.62609 -95.15708 2.46901 1.98257 -94.81168 516.11312
7215.0000 -97.77906 -95.61897 2.16008 1.95326 -95.15455 483.88953
7220.0000 -98.10885 -96.01257 2.09628 1.89597 -95.82463 432.00832
7225.0000 -98.33263 -95.41353 2.91910 1.93624 -95.35357 480.96703
7230.0000 -97.14383 -94.20631 2.93753 1.95578 -95.12507 522.17988
7235.0000 -97.72242 -95.25119 2.47123 1.98831 -94.74454 560.97488
7240.0000 -97.68613 -95.71405 1.97207 1.90900 -95.67216 482.35731
7245.0000 -97.98730 -95.05064 2.93665 1.95443 -95.14085 516.57363
7250.0000 -97.80902 -94.70688 3.10214 1.96571 -95.00891 538.20064
FREEZING PROCESS: loop number 30 T-loop= 485.00000000000000
main_MD> interactions number 30 at Temperature= 485.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.12666 -0.90107 -1.91454
force_rgl> df(natom) 1.34316 1.77604 -0.19172
7255.0000 -97.08754 -94.80915 2.27839 1.97961 -94.84636 533.43372
7260.0000 -97.34549 -95.29113 2.05437 1.97578 -94.89111 513.57031
7265.0000 -97.93720 -95.09572 2.84148 1.99142 -94.70820 532.80920
7270.0000 -97.90647 -95.12056 2.78591 1.96281 -95.04289 519.09946
7275.0000 -97.65738 -94.85018 2.80719 1.97815 -94.86345 535.29656
7280.0000 -98.24902 -95.95127 2.29775 1.94799 -95.21620 521.29420
7285.0000 -98.37970 -95.60799 2.77171 1.89166 -95.87496 463.08673
7290.0000 -98.47123 -96.17754 2.29368 1.90188 -95.75542 491.59744
7295.0000 -98.47487 -96.53677 1.93810 1.85571 -96.29544 422.61410
7300.0000 -97.90019 -95.39560 2.50459 1.86947 -96.13453 463.85793
7305.0000 -98.10324 -95.65849 2.44476 1.89335 -95.85530 493.47474
7310.0000 -98.29428 -95.68703 2.60725 1.92465 -95.48916 503.98996
7315.0000 -98.60110 -95.82061 2.78049 1.90188 -95.75546 508.74121
7320.0000 -98.05394 -95.84455 2.20938 1.89583 -95.82626 488.30138
7325.0000 -98.12302 -95.38953 2.73349 1.93363 -95.38412 519.90092
7330.0000 -98.57561 -95.83381 2.74180 1.90787 -95.68543 501.21429
7335.0000 -98.35429 -96.18356 2.17073 1.89122 -95.88014 487.51227
7340.0000 -97.96144 -95.10950 2.85194 1.93923 -95.31859 513.06166
7345.0000 -97.57735 -94.99537 2.58198 1.93964 -95.31381 513.70306
7350.0000 -97.02470 -94.66842 2.35628 1.93769 -95.33662 499.23926
7355.0000 -97.81475 -94.88030 2.93445 1.97401 -94.91188 522.64502
7360.0000 -98.11690 -95.42511 2.69179 1.95317 -95.15562 499.97189
7365.0000 -97.52034 -94.28940 3.23095 1.97314 -94.92203 534.34654
7370.0000 -98.39125 -95.60634 2.78491 1.96285 -95.04235 546.79413
7375.0000 -98.01714 -94.93879 3.07835 1.94116 -95.29608 530.13770
7380.0000 -97.20604 -94.28400 2.92204 2.00888 -94.50400 567.66263
7385.0000 -97.83856 -95.03524 2.80332 1.96935 -94.96634 528.21640
7390.0000 -98.38460 -95.35185 3.03275 1.96692 -94.99472 510.04161
7395.0000 -97.99293 -95.62022 2.37271 1.94387 -95.26435 525.46715
7400.0000 -97.78899 -95.29193 2.49705 1.89802 -95.80058 458.53244
7405.0000 -98.42392 -95.58668 2.83725 1.92058 -95.53674 482.98141
7410.0000 -98.48450 -95.88269 2.60181 1.89292 -95.86022 453.83359
7415.0000 -98.47736 -96.16356 2.31381 1.89381 -95.84988 470.66653
7420.0000 -98.69161 -96.89600 1.79560 1.85371 -96.31890 429.86130
7425.0000 -97.95475 -95.16831 2.78643 1.88389 -95.96593 462.17528
7430.0000 -98.01083 -95.36923 2.64160 1.95178 -95.17181 514.75146
7435.0000 -97.86956 -95.60434 2.26521 1.90612 -95.70587 467.33119
7440.0000 -98.44131 -95.82166 2.61966 1.89169 -95.87461 463.77021
7445.0000 -98.36179 -95.41260 2.94918 1.91707 -95.57778 493.10547
7450.0000 -98.19471 -96.09861 2.09611 1.89978 -95.78006 439.13078
7455.0000 -97.82019 -95.33043 2.48977 1.90182 -95.75620 452.76848
7460.0000 -98.40364 -96.08257 2.32107 1.92155 -95.52538 486.38024
7465.0000 -98.80266 -96.20883 2.59384 1.84446 -96.42702 405.87676
7470.0000 -97.87280 -95.56673 2.30606 1.90717 -95.69358 480.52630
7475.0000 -98.10616 -95.16674 2.93942 1.93705 -95.34407 508.01388
7480.0000 -98.29316 -95.53589 2.75727 1.94339 -95.26995 515.80185
7485.0000 -97.24539 -94.60160 2.64379 1.97541 -94.89549 539.25976
7490.0000 -98.11660 -95.57047 2.54613 1.94132 -95.29416 502.60670
7495.0000 -97.30083 -94.73989 2.56093 1.95400 -95.14586 520.15169
7500.0000 -97.41795 -95.27854 2.13942 1.98209 -94.81730 543.83658
FREEZING PROCESS: loop number 31 T-loop= 460.00000000000000
main_MD> interactions number 31 at Temperature= 460.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.18600 -1.97756 -0.11190
force_rgl> df(natom) -0.14296 0.99146 -2.66644
7505.0000 -97.98251 -95.55540 2.42711 1.94274 -95.27752 512.63045
7510.0000 -98.10758 -95.59994 2.50765 1.92657 -95.46665 488.29423
7515.0000 -98.16874 -95.73723 2.43151 1.86935 -96.13595 445.21038
7520.0000 -98.76338 -96.45535 2.30803 1.87792 -96.03573 458.81513
7525.0000 -98.46410 -95.98219 2.48191 1.86311 -96.20891 433.35416
7530.0000 -98.86556 -96.21605 2.64951 1.87318 -96.09113 443.65683
7535.0000 -98.61478 -96.29852 2.31626 1.88035 -96.00735 464.51639
7540.0000 -98.26746 -96.18735 2.08012 1.87733 -96.04260 450.00930
7545.0000 -98.39952 -96.03992 2.35960 1.85997 -96.24566 451.20568
7550.0000 -98.66407 -96.11677 2.54730 1.87202 -96.10467 472.85651
7555.0000 -99.04954 -96.77950 2.27004 1.86018 -96.24315 457.61829
7560.0000 -98.46245 -95.80499 2.65746 1.85916 -96.25511 458.79681
7565.0000 -98.55457 -96.33645 2.21812 1.88390 -95.96576 479.52476
7570.0000 -98.56782 -96.55060 2.01722 1.86156 -96.22711 444.62260
7575.0000 -98.26068 -96.06523 2.19545 1.85810 -96.26748 447.31339
7580.0000 -98.38779 -95.86147 2.52632 1.92269 -95.51204 532.43016
7585.0000 -97.77566 -95.19814 2.57752 1.93047 -95.42105 500.03110
7590.0000 -98.16284 -95.17208 2.99075 1.95809 -95.09807 529.77843
7595.0000 -97.45853 -95.23568 2.22285 1.92545 -95.47984 486.23582
7600.0000 -98.28578 -95.71952 2.56627 1.89931 -95.78557 463.90503
7605.0000 -98.22358 -95.63602 2.58757 1.90775 -95.68684 487.68944
7610.0000 -97.87285 -95.07780 2.79505 1.91530 -95.59856 491.74676
7615.0000 -97.93297 -95.51417 2.41881 1.95217 -95.16733 521.83432
7620.0000 -98.27593 -96.02630 2.24963 1.89883 -95.79110 474.16167
7625.0000 -98.46850 -95.75109 2.71741 1.87479 -96.07228 460.12847
7630.0000 -98.09882 -95.85801 2.24082 1.90004 -95.77698 474.55549
7635.0000 -98.13718 -95.21272 2.92445 1.96015 -95.07390 509.24221
7640.0000 -97.20061 -95.05409 2.14653 1.91675 -95.58153 452.58884
7645.0000 -97.93327 -95.31948 2.61379 1.95437 -95.14159 488.72686
7650.0000 -98.43302 -95.52681 2.90622 1.92365 -95.50087 517.96448
7655.0000 -98.32844 -95.99404 2.33441 1.88939 -95.90153 506.72553
7660.0000 -98.20493 -96.02207 2.18286 1.88262 -95.98073 498.96039
7665.0000 -99.09628 -96.90578 2.19050 1.83402 -96.54912 443.78217
7670.0000 -98.38555 -96.44369 1.94185 1.81297 -96.79533 430.87537
7675.0000 -98.79093 -96.43105 2.35988 1.86722 -96.16086 484.25371
7680.0000 -98.81724 -96.23408 2.58315 1.84320 -96.44182 461.95552
7685.0000 -98.61619 -96.06753 2.54865 1.86413 -96.19699 472.10331
7690.0000 -98.05721 -95.91476 2.14245 1.89560 -95.82888 524.83709
7695.0000 -98.48462 -95.83797 2.64665 1.87608 -96.05723 491.63529
7700.0000 -98.94751 -96.55702 2.39049 1.87164 -96.10922 484.09725
7705.0000 -98.64801 -95.72582 2.92219 1.88570 -95.94470 482.04807
7710.0000 -98.84872 -96.70111 2.14761 1.86035 -96.24119 481.79663
7715.0000 -98.77631 -96.64374 2.13257 1.82162 -96.69417 433.48779
7720.0000 -98.26507 -96.05345 2.21162 1.84563 -96.41332 467.80377
7725.0000 -98.25171 -96.10098 2.15073 1.89916 -95.78731 510.71822
7730.0000 -98.85631 -96.81408 2.04223 1.84907 -96.37320 461.73593
7735.0000 -98.77820 -96.32667 2.45153 1.82536 -96.65050 442.42951
7740.0000 -98.93982 -96.28583 2.65399 1.87072 -96.11995 481.04286
7745.0000 -99.28071 -96.97600 2.30470 1.83438 -96.54495 456.72171
7750.0000 -98.96249 -96.32309 2.63940 1.84192 -96.45681 469.13581
FREEZING PROCESS: loop number 32 T-loop= 435.00000000000000
main_MD> interactions number 32 at Temperature= 435.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95610 0.39427 -0.58605
force_rgl> df(natom) 1.23250 -1.59671 -0.70497
7755.0000 -98.81479 -96.17406 2.64073 1.86759 -96.15654 484.57932
7760.0000 -98.97724 -95.83377 3.14347 1.90554 -95.71267 537.62936
7765.0000 -99.63760 -97.38131 2.25629 1.82380 -96.66866 446.15024
7770.0000 -99.05183 -96.93792 2.11392 1.78157 -97.16263 394.39792
7775.0000 -99.16362 -97.37723 1.78639 1.78778 -97.08994 405.35075
7780.0000 -99.53846 -97.20190 2.33657 1.73310 -97.72957 350.75239
7785.0000 -98.39162 -96.14718 2.24445 1.86235 -96.21777 488.98673
7790.0000 -99.01704 -96.56578 2.45126 1.86912 -96.13867 488.66743
7795.0000 -99.24191 -97.07752 2.16439 1.82226 -96.68676 441.08698
7800.0000 -98.75360 -96.82506 1.92854 1.79759 -96.97525 411.92461
7805.0000 -98.44256 -96.64894 1.79362 1.78693 -97.09992 405.43079
7810.0000 -99.12952 -96.50864 2.62087 1.81941 -96.72002 437.79592
7815.0000 -99.03556 -97.11308 1.92249 1.82182 -96.69186 439.20007
7820.0000 -98.58181 -96.61025 1.97156 1.79939 -96.95422 415.34189
7825.0000 -99.16238 -97.14250 2.01988 1.82930 -96.60438 447.59820
7830.0000 -99.32544 -96.97399 2.35144 1.78310 -97.14477 398.76809
7835.0000 -98.64182 -96.18182 2.46000 1.83218 -96.57066 443.69634
7840.0000 -98.64351 -96.79652 1.84699 1.83872 -96.49419 451.35746
7845.0000 -99.26660 -97.42199 1.84461 1.77681 -97.21834 394.97983
7850.0000 -99.49459 -97.06643 2.42816 1.77670 -97.21959 390.97743
7855.0000 -99.13038 -96.72727 2.40312 1.80704 -96.86470 422.31316
7860.0000 -98.47853 -96.31782 2.16072 1.83676 -96.51716 455.86325
7865.0000 -98.88799 -96.81203 2.07595 1.81873 -96.72804 432.29816
7870.0000 -98.46736 -96.17359 2.29377 1.81561 -96.76451 432.32385
7875.0000 -98.45109 -96.57571 1.87538 1.85512 -96.30241 443.44347
7880.0000 -99.43943 -96.93066 2.50876 1.80412 -96.89892 418.45603
7885.0000 -98.35053 -96.14268 2.20785 1.82747 -96.62577 435.93578
7890.0000 -98.82576 -96.96401 1.86175 1.83605 -96.52541 450.97614
7895.0000 -99.13682 -96.72980 2.40702 1.81469 -96.77528 430.35476
7900.0000 -98.75560 -97.04221 1.71339 1.79436 -97.01305 409.90377
7905.0000 -99.41520 -97.29218 2.12303 1.79173 -97.04377 410.48194
7910.0000 -98.96674 -97.23751 1.72924 1.75581 -97.46388 363.80272
7915.0000 -99.21790 -96.94617 2.27173 1.77399 -97.25123 391.35583
7920.0000 -99.09338 -96.19003 2.90334 1.85012 -96.36085 465.90076
7925.0000 -99.11331 -96.76144 2.35187 1.82918 -96.60576 446.58389
7930.0000 -99.53512 -97.19615 2.33896 1.79175 -97.04356 408.91164
7935.0000 -99.66709 -97.64186 2.02523 1.76757 -97.32638 386.78110
7940.0000 -99.01491 -96.93333 2.08158 1.77943 -97.18770 391.94419
7945.0000 -98.71109 -96.35801 2.35308 1.81407 -96.78246 442.58787
7950.0000 -98.80144 -96.69666 2.10478 1.85152 -96.34450 470.73364
7955.0000 -99.03362 -96.75421 2.27941 1.83471 -96.54113 446.89571
7960.0000 -98.92389 -96.34579 2.57810 1.79399 -97.01734 409.30931
7965.0000 -99.01193 -96.93569 2.07624 1.82802 -96.61936 442.82108
7970.0000 -99.06390 -96.65198 2.41192 1.81627 -96.75675 433.94416
7975.0000 -98.93610 -96.37460 2.56150 1.84865 -96.37800 467.48769
7980.0000 -99.17062 -97.05548 2.11514 1.81126 -96.81538 429.06931
7985.0000 -98.97986 -96.67195 2.30791 1.80494 -96.88932 426.07635
7990.0000 -98.90052 -96.66574 2.23478 1.80366 -96.90431 418.10329
7995.0000 -98.33316 -96.03709 2.29607 1.83779 -96.50509 464.25320
8000.0000 -98.05160 -95.24292 2.80869 1.92180 -95.52254 516.17819
FREEZING PROCESS: loop number 33 T-loop= 410.00000000000000
main_MD> interactions number 33 at Temperature= 410.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.81992 0.15007 1.24208
force_rgl> df(natom) 1.57809 1.60783 -2.11430
8005.0000 -98.83901 -96.75729 2.08172 1.86366 -96.20249 473.75822
8010.0000 -98.85154 -96.63429 2.21725 1.80550 -96.88273 398.81045
8015.0000 -99.14947 -97.26743 1.88204 1.79761 -96.97498 410.62707
8020.0000 -99.38466 -97.62063 1.76403 1.76091 -97.40427 371.70077
8025.0000 -98.73016 -96.97724 1.75292 1.75837 -97.43395 380.57469
8030.0000 -98.80011 -97.07645 1.72366 1.81119 -96.81619 436.31284
8035.0000 -98.91162 -97.10997 1.80165 1.78148 -97.16367 401.54086
8040.0000 -99.26237 -97.17767 2.08469 1.79394 -97.01792 411.31750
8045.0000 -99.06986 -97.11413 1.95572 1.76775 -97.32425 384.02993
8050.0000 -99.42852 -96.96863 2.45989 1.78453 -97.12799 399.69233
8055.0000 -99.53260 -97.14442 2.38818 1.79452 -97.01117 415.87856
8060.0000 -99.29600 -97.45972 1.83627 1.76998 -97.29814 388.94781
8065.0000 -99.15700 -96.89679 2.26022 1.77514 -97.23788 400.88809
8070.0000 -99.28174 -97.02277 2.25897 1.82130 -96.69798 449.85716
8075.0000 -99.48956 -97.25957 2.22998 1.76967 -97.30187 387.05134
8080.0000 -99.95670 -97.68620 2.27050 1.76804 -97.32091 390.87664
8085.0000 -99.50250 -97.41641 2.08610 1.73360 -97.72373 352.80336
8090.0000 -98.67825 -96.84249 1.83576 1.82180 -96.69210 435.02955
8095.0000 -99.36301 -97.09018 2.27283 1.80272 -96.91527 410.68239
8100.0000 -99.27727 -96.88523 2.39205 1.79794 -96.97112 392.14700
8105.0000 -98.48026 -97.06838 1.41188 1.79300 -97.02892 403.68657
8110.0000 -99.54652 -97.32979 2.21673 1.79515 -97.00383 397.68245
8115.0000 -99.51895 -97.67434 1.84461 1.77992 -97.18195 398.70801
8120.0000 -99.40021 -97.57212 1.82809 1.75453 -97.47895 373.70734
8125.0000 -99.94927 -97.70240 2.24686 1.73804 -97.67170 346.92090
8130.0000 -99.06665 -97.32977 1.73688 1.76367 -97.37199 386.46509
8135.0000 -98.98886 -96.90522 2.08364 1.79262 -97.03340 406.79244
8140.0000 -99.39552 -96.84705 2.54847 1.79293 -97.02973 409.53056
8145.0000 -99.02832 -97.13488 1.89344 1.78895 -97.07637 404.23519
8150.0000 -98.79550 -96.89559 1.89992 1.79513 -97.00404 420.39478
8155.0000 -99.49849 -97.39229 2.10620 1.78177 -97.16031 395.11949
8160.0000 -99.35703 -97.09159 2.26545 1.77975 -97.18397 397.61883
8165.0000 -99.33973 -97.05965 2.28008 1.77160 -97.27919 386.13624
8170.0000 -99.34162 -97.37125 1.97037 1.79139 -97.04772 418.48925
8175.0000 -99.15593 -97.44164 1.71428 1.76309 -97.37874 380.22398
8180.0000 -98.95165 -96.91424 2.03740 1.77426 -97.24807 387.50422
8185.0000 -99.67452 -97.14387 2.53066 1.79091 -97.05338 405.94638
8190.0000 -99.52962 -97.47822 2.05140 1.78302 -97.14573 400.82452
8195.0000 -98.63258 -96.71059 1.92199 1.80838 -96.84909 420.02146
8200.0000 -99.32371 -97.37845 1.94526 1.78120 -97.16700 404.42058
8205.0000 -99.38785 -96.74660 2.64125 1.79761 -96.97504 417.86773
8210.0000 -98.42927 -96.30407 2.12521 1.81800 -96.73650 432.73062
8215.0000 -99.31118 -97.16245 2.14874 1.80792 -96.85448 421.02616
8220.0000 -98.67383 -96.57941 2.09442 1.80415 -96.89852 416.65689
8225.0000 -98.66263 -96.49348 2.16914 1.84143 -96.46248 462.10973
8230.0000 -99.19526 -96.68763 2.50762 1.83309 -96.56008 452.91875
8235.0000 -99.09794 -97.24442 1.85352 1.80710 -96.86408 414.88649
8240.0000 -99.30768 -97.01975 2.28793 1.76168 -97.39525 379.74780
8245.0000 -99.17234 -96.90774 2.26459 1.78837 -97.08316 401.68057
8250.0000 -99.40405 -96.71500 2.68905 1.80804 -96.85305 426.71481
FREEZING PROCESS: loop number 34 T-loop= 385.00000000000000
main_MD> interactions number 34 at Temperature= 385.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.31709 -0.76692 3.68765
force_rgl> df(natom) 3.13418 -0.96973 0.45136
8255.0000 -99.13611 -96.88075 2.25536 1.78279 -97.14839 395.50236
8260.0000 -98.89352 -97.28162 1.61191 1.77790 -97.20550 393.41385
8265.0000 -99.44675 -97.29479 2.15195 1.76235 -97.38747 379.48388
8270.0000 -98.28232 -96.45612 1.82621 1.82257 -96.68308 446.58949
8275.0000 -99.18484 -97.27334 1.91151 1.79583 -96.99580 413.62086
8280.0000 -99.37180 -97.49452 1.87728 1.76565 -97.34882 382.72139
8285.0000 -99.74221 -98.02663 1.71559 1.74173 -97.62855 363.45960
8290.0000 -99.69165 -97.75850 1.93314 1.71355 -97.95824 327.73658
8295.0000 -99.43911 -97.61246 1.82665 1.75583 -97.46363 363.20944
8300.0000 -98.83697 -96.90961 1.92735 1.74073 -97.64034 355.84758
8305.0000 -98.99285 -97.25113 1.74172 1.76380 -97.37050 380.51095
8310.0000 -99.65259 -97.75194 1.90065 1.74281 -97.61600 354.18777
8315.0000 -99.42537 -97.35169 2.07368 1.75535 -97.46936 376.14676
8320.0000 -99.45184 -97.59873 1.85311 1.76923 -97.30699 380.94562
8325.0000 -99.36487 -97.84213 1.52274 1.75095 -97.52078 372.66909
8330.0000 -99.50808 -97.98238 1.52570 1.71560 -97.93423 330.68136
8335.0000 -99.64925 -97.97815 1.67110 1.69846 -98.13475 307.77903
8340.0000 -99.76224 -98.13115 1.63109 1.69735 -98.14765 305.75282
8345.0000 -99.67076 -97.84317 1.82758 1.70230 -98.08984 321.71907
8350.0000 -99.04835 -96.57258 2.47577 1.78494 -97.12319 409.02120
8355.0000 -99.40374 -97.53719 1.86655 1.76801 -97.32121 373.83796
8360.0000 -99.53368 -97.80174 1.73194 1.74823 -97.55258 366.92863
8365.0000 -99.60565 -97.32139 2.28425 1.75038 -97.52746 365.77606
8370.0000 -99.02810 -96.75608 2.27202 1.77281 -97.26510 386.78903
8375.0000 -99.71370 -97.51102 2.20267 1.78469 -97.12619 404.94561
8380.0000 -99.09728 -97.44095 1.65633 1.73738 -97.67945 349.69680
8385.0000 -99.61285 -98.11334 1.49951 1.72677 -97.80359 343.32349
8390.0000 -99.79412 -98.32845 1.46568 1.72247 -97.85391 342.63070
8395.0000 -99.42741 -97.92344 1.50397 1.71979 -97.88520 336.75305
8400.0000 -99.06400 -97.02271 2.04128 1.77694 -97.21682 404.86609
8405.0000 -99.35197 -97.48030 1.87167 1.77045 -97.29265 389.32176
8410.0000 -99.38357 -97.24838 2.13519 1.74348 -97.60815 362.27825
8415.0000 -99.37169 -97.27446 2.09722 1.77684 -97.21794 401.68508
8420.0000 -99.60154 -97.96219 1.63935 1.74645 -97.57343 357.06606
8425.0000 -99.65473 -97.71418 1.94055 1.73696 -97.68439 354.24185
8430.0000 -99.23584 -96.97022 2.26562 1.76649 -97.33902 386.30814
8435.0000 -99.20733 -97.18595 2.02138 1.78709 -97.09803 399.73802
8440.0000 -98.70492 -96.40396 2.30096 1.81458 -96.77656 426.77859
8445.0000 -99.51864 -96.98682 2.53181 1.81572 -96.76316 429.34534
8450.0000 -99.47052 -97.68682 1.78370 1.76952 -97.30355 386.47728
8455.0000 -99.33908 -97.62738 1.71170 1.73673 -97.68704 353.64430
8460.0000 -99.42849 -97.47666 1.95183 1.76709 -97.33198 383.42502
8465.0000 -99.43204 -97.86550 1.56655 1.72081 -97.87324 338.82104
8470.0000 -99.54978 -97.84780 1.70199 1.72273 -97.85077 338.21160
8475.0000 -99.79447 -97.62624 2.16822 1.74997 -97.53221 365.34317
8480.0000 -99.18747 -97.50844 1.67903 1.74373 -97.60516 359.82075
8485.0000 -99.18711 -97.72800 1.45910 1.73617 -97.69364 352.95700
8490.0000 -99.31837 -97.39720 1.92117 1.74015 -97.64714 350.46465
8495.0000 -99.54938 -97.46473 2.08466 1.74369 -97.60566 364.33097
8500.0000 -99.13094 -97.59185 1.53909 1.75233 -97.50466 366.60898
FREEZING PROCESS: loop number 35 T-loop= 360.00000000000000
main_MD> interactions number 35 at Temperature= 360.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49303 0.00004 0.40330
force_rgl> df(natom) 1.67666 0.76984 -0.76265
8505.0000 -99.72647 -97.64042 2.08605 1.74283 -97.61577 359.54238
8510.0000 -99.55270 -97.70339 1.84931 1.74016 -97.64700 358.30219
8515.0000 -99.36318 -97.60414 1.75904 1.72147 -97.86556 339.88796
8520.0000 -99.65151 -97.86842 1.78308 1.71030 -97.99620 321.09946
8525.0000 -99.65129 -98.07615 1.57514 1.71826 -97.90314 327.35577
8530.0000 -99.37959 -97.74411 1.63548 1.72727 -97.79777 339.57811
8535.0000 -99.50858 -97.84977 1.65880 1.73608 -97.69474 347.40572
8540.0000 -99.29744 -97.65361 1.64383 1.75452 -97.47903 364.03482
8545.0000 -99.32936 -97.72248 1.60688 1.75487 -97.47494 375.09058
8550.0000 -99.32607 -97.42922 1.89685 1.73352 -97.72467 344.79398
8555.0000 -99.40249 -97.71951 1.68299 1.72734 -97.79686 349.70720
8560.0000 -99.65233 -97.51871 2.13362 1.73421 -97.71658 347.13222
8565.0000 -99.39236 -97.40419 1.98817 1.74642 -97.57372 361.02381
8570.0000 -99.24658 -97.57884 1.66774 1.75731 -97.44633 371.11207
8575.0000 -99.04758 -96.94026 2.10732 1.78160 -97.16233 396.90168
8580.0000 -99.61451 -97.87951 1.73500 1.75296 -97.49722 371.71847
8585.0000 -99.57286 -97.97059 1.60227 1.71042 -97.99486 322.03236
8590.0000 -99.75302 -97.92006 1.83295 1.71613 -97.92802 330.22650
8595.0000 -99.05698 -97.07037 1.98661 1.74649 -97.57291 356.69798
8600.0000 -99.32427 -97.07260 2.25166 1.77038 -97.29356 386.24062
8605.0000 -99.46722 -97.71463 1.75259 1.77252 -97.26846 398.52081
8610.0000 -99.53021 -97.67332 1.85689 1.73012 -97.76439 352.43551
8615.0000 -99.70657 -98.05011 1.65646 1.73228 -97.73910 354.53474
8620.0000 -99.84460 -97.92545 1.91915 1.72787 -97.79077 345.45462
8625.0000 -99.68794 -97.69062 1.99733 1.73552 -97.70124 349.81272
8630.0000 -99.40534 -97.70590 1.69944 1.77230 -97.27110 382.44174
8635.0000 -99.40770 -97.66648 1.74122 1.74103 -97.63674 353.96424
8640.0000 -99.64214 -98.10876 1.53338 1.71972 -97.88607 332.88005
8645.0000 -99.52898 -97.52863 2.00035 1.71592 -97.93048 329.62215
8650.0000 -99.10405 -97.37280 1.73126 1.76006 -97.41425 381.66043
8655.0000 -98.98975 -96.79913 2.19062 1.78949 -97.07000 402.15581
8660.0000 -99.03341 -97.26197 1.77144 1.78078 -97.17182 391.17632
8665.0000 -99.04489 -97.21967 1.82521 1.77174 -97.27761 386.52075
8670.0000 -99.55734 -97.26381 2.29353 1.76128 -97.39992 381.56452
8675.0000 -99.59889 -97.95700 1.64190 1.75429 -97.48173 373.57505
8680.0000 -99.55113 -97.86730 1.68383 1.73578 -97.69816 350.67996
8685.0000 -99.78894 -97.63808 2.15087 1.72643 -97.80754 339.67081
8690.0000 -99.79678 -98.03163 1.76515 1.72506 -97.82356 337.69108
8695.0000 -99.70527 -97.91742 1.78785 1.70272 -98.08492 318.49064
8700.0000 -99.54382 -97.84576 1.69806 1.72423 -97.83327 336.74041
8705.0000 -99.11840 -97.16514 1.95326 1.76339 -97.37525 382.18588
8710.0000 -99.60024 -97.68198 1.91825 1.76763 -97.32563 383.52214
8715.0000 -99.29223 -97.77846 1.51377 1.72666 -97.80484 342.08470
8720.0000 -99.32645 -97.81516 1.51129 1.72286 -97.84934 336.03303
8725.0000 -99.54421 -97.83358 1.71063 1.73607 -97.69485 348.24417
8730.0000 -99.35236 -97.43552 1.91684 1.75380 -97.48744 368.50197
8735.0000 -99.23824 -97.26122 1.97702 1.79017 -97.06200 411.78405
8740.0000 -98.98461 -96.89162 2.09299 1.80398 -96.90047 420.15005
8745.0000 -99.55250 -97.41936 2.13314 1.80205 -96.92307 424.16987
8750.0000 -99.39642 -97.70135 1.69507 1.74115 -97.63542 360.09028
FREEZING PROCESS: loop number 36 T-loop= 335.00000000000000
main_MD> interactions number 36 at Temperature= 335.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83292 -0.78195 -5.19161
force_rgl> df(natom) 1.86242 -1.68333 -1.72232
8755.0000 -99.43438 -97.94678 1.48760 1.72735 -97.79680 342.75956
8760.0000 -99.47639 -97.18493 2.29145 1.74604 -97.57819 364.81644
8765.0000 -99.88219 -98.29812 1.58408 1.74097 -97.63752 353.71060
8770.0000 -99.71637 -98.18103 1.53535 1.69329 -98.19520 304.35548
8775.0000 -99.54954 -97.92290 1.62664 1.70710 -98.03360 317.06224
8780.0000 -99.71966 -97.75125 1.96841 1.71537 -97.93686 330.40928
8785.0000 -99.43880 -97.56033 1.87847 1.73127 -97.75100 343.05893
8790.0000 -99.66733 -98.13026 1.53707 1.73267 -97.73460 347.07527
8795.0000 -99.60111 -98.40120 1.19991 1.72464 -97.82846 336.97412
8800.0000 -99.73447 -98.05362 1.68084 1.69492 -98.17604 302.44153
8805.0000 -99.70193 -97.92891 1.77302 1.71327 -97.96149 329.58715
8810.0000 -99.49902 -97.82826 1.67076 1.73108 -97.75316 347.76863
8815.0000 -99.78144 -97.79820 1.98324 1.72065 -97.87517 335.90845
8820.0000 -99.78887 -97.99539 1.79348 1.72164 -97.86359 326.80024
8825.0000 -99.46329 -97.76315 1.70014 1.73520 -97.70503 357.53291
8830.0000 -99.52564 -97.79566 1.72997 1.72821 -97.78676 336.41357
8835.0000 -99.40119 -97.64615 1.75503 1.75673 -97.45315 377.59431
8840.0000 -99.78675 -98.07957 1.70718 1.73101 -97.75394 343.56283
8845.0000 -99.35988 -97.71040 1.64947 1.72276 -97.85045 331.56055
8850.0000 -99.38046 -97.77727 1.60319 1.73261 -97.73528 343.17761
8855.0000 -99.25507 -97.52817 1.72690 1.72546 -97.81890 339.97649
8860.0000 -100.01988 -98.32397 1.69590 1.72238 -97.85497 333.23583
8865.0000 -99.69164 -97.69022 2.00142 1.72034 -97.87875 330.40942
8870.0000 -99.72399 -98.06330 1.66069 1.73566 -97.69954 348.68950
8875.0000 -99.56553 -97.47295 2.09258 1.73388 -97.72039 347.66002
8880.0000 -99.48042 -97.58863 1.89179 1.74456 -97.59550 350.52314
8885.0000 -99.38990 -97.85162 1.53828 1.73263 -97.73500 347.36490
8890.0000 -99.55211 -97.87367 1.67844 1.71896 -97.89497 333.51406
8895.0000 -99.56634 -97.80319 1.76315 1.72534 -97.82033 333.67538
8900.0000 -99.21105 -97.20099 2.01007 1.73938 -97.65612 356.00519
8905.0000 -99.36007 -97.75666 1.60342 1.74991 -97.53297 365.90296
8910.0000 -99.43490 -97.73968 1.69522 1.73189 -97.74368 350.40925
8915.0000 -100.06463 -98.58213 1.48251 1.69134 -98.21791 301.77063
8920.0000 -99.11662 -97.13115 1.98548 1.70202 -98.09306 314.28074
8925.0000 -99.88260 -98.36732 1.51529 1.76774 -97.32444 382.90360
8930.0000 -99.70853 -97.94638 1.76215 1.69010 -98.23249 301.63712
8935.0000 -99.23501 -97.37445 1.86056 1.74768 -97.55905 364.32131
8940.0000 -99.89497 -98.32050 1.57448 1.71150 -97.98214 323.23491
8945.0000 -99.84564 -98.04245 1.80318 1.70434 -98.06590 312.53860
8950.0000 -99.74117 -97.84510 1.89607 1.69655 -98.15702 306.03468
8955.0000 -99.71944 -97.72231 1.99713 1.74421 -97.59963 365.03261
8960.0000 -99.69766 -97.98801 1.70964 1.72277 -97.85039 335.40201
8965.0000 -99.03007 -97.34174 1.68833 1.75348 -97.49116 371.18299
8970.0000 -98.94301 -97.31282 1.63019 1.75957 -97.41992 373.46946
8975.0000 -99.84156 -98.21198 1.62958 1.72576 -97.81535 341.35505
8980.0000 -99.73321 -97.96510 1.76811 1.70852 -98.01708 318.28725
8985.0000 -99.11799 -97.59315 1.52484 1.71838 -97.90171 334.48787
8990.0000 -99.59748 -97.98479 1.61268 1.73351 -97.72478 347.38550
8995.0000 -99.73162 -97.89579 1.83583 1.69492 -98.17606 305.01181
9000.0000 -99.74426 -97.95348 1.79077 1.71638 -97.92509 327.10791
FREEZING PROCESS: loop number 37 T-loop= 310.00000000000000
main_MD> interactions number 37 at Temperature= 310.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.65818 1.93428 -2.01287
force_rgl> df(natom) -0.61144 -0.30595 -0.51392
9005.0000 -99.66272 -98.16804 1.49468 1.69879 -98.13087 306.51490
9010.0000 -100.00797 -98.31983 1.68814 1.69759 -98.14490 307.73301
9015.0000 -99.98383 -98.55045 1.43338 1.68394 -98.30447 297.19044
9020.0000 -99.62383 -98.40323 1.22060 1.67129 -98.45247 280.68618
9025.0000 -99.81895 -98.29501 1.52394 1.70250 -98.08745 313.79839
9030.0000 -99.28454 -98.05837 1.22617 1.69473 -98.17833 306.07600
9035.0000 -100.12930 -98.00102 2.12828 1.71343 -97.95955 323.09665
9040.0000 -99.60422 -97.77405 1.83017 1.70798 -98.02337 319.36709
9045.0000 -99.84822 -98.15871 1.68952 1.73112 -97.75264 348.51994
9050.0000 -99.92030 -98.33029 1.59001 1.67571 -98.40081 291.51802
9055.0000 -100.00701 -97.96117 2.04583 1.68851 -98.25109 305.07102
9060.0000 -100.02298 -98.80286 1.22012 1.67436 -98.41657 289.47866
9065.0000 -99.68331 -98.08326 1.60005 1.67482 -98.41121 282.21415
9070.0000 -99.36457 -97.60697 1.75760 1.70874 -98.01444 317.60937
9075.0000 -99.64183 -97.92042 1.72140 1.73839 -97.66767 352.36628
9080.0000 -99.87023 -98.49634 1.37389 1.68742 -98.26382 301.37603
9085.0000 -99.94354 -98.60065 1.34289 1.66359 -98.54259 272.89006
9090.0000 -99.56298 -97.77369 1.78929 1.69505 -98.17462 306.32278
9095.0000 -99.59074 -97.66360 1.92714 1.71137 -97.98368 322.01403
9100.0000 -99.77982 -98.21511 1.56470 1.70403 -98.06957 318.39347
9105.0000 -99.67042 -98.14149 1.52893 1.70255 -98.08681 313.87679
9110.0000 -99.72141 -97.96819 1.75321 1.71658 -97.92277 328.14863
9115.0000 -99.77340 -98.20328 1.57013 1.68871 -98.24870 304.86644
9120.0000 -100.24806 -98.93491 1.31315 1.68013 -98.34906 289.06268
9125.0000 -100.10527 -98.50740 1.59787 1.64817 -98.72287 260.20794
9130.0000 -100.21071 -98.66744 1.54328 1.67523 -98.40643 287.34037
9135.0000 -99.96128 -98.53965 1.42163 1.66178 -98.56369 271.77582
9140.0000 -99.62873 -98.24277 1.38596 1.68252 -98.32112 292.55349
9145.0000 -99.84696 -98.17933 1.66763 1.68853 -98.25088 301.02865
9150.0000 -99.82449 -97.90783 1.91666 1.70792 -98.02400 319.25473
9155.0000 -99.60720 -98.09003 1.51718 1.72488 -97.82567 337.13330
9160.0000 -99.75361 -98.07487 1.67875 1.70529 -98.05478 317.29133
9165.0000 -99.73095 -97.88951 1.84144 1.69460 -98.17987 301.51479
9170.0000 -99.56273 -97.89792 1.66481 1.71551 -97.93532 330.11131
9175.0000 -99.94161 -98.26209 1.67952 1.69621 -98.16096 320.35164
9180.0000 -99.76851 -98.24332 1.52519 1.68412 -98.30239 295.87775
9185.0000 -99.71857 -98.31598 1.40259 1.70404 -98.06943 321.97602
9190.0000 -99.93529 -97.89784 2.03745 1.69377 -98.18953 309.56737
9195.0000 -100.33545 -98.66672 1.66873 1.67313 -98.43097 285.50494
9200.0000 -99.80642 -98.49162 1.31480 1.66680 -98.50495 275.28673
9205.0000 -99.73474 -98.50163 1.23311 1.68173 -98.33032 296.99609
9210.0000 -99.90838 -98.58919 1.31918 1.66980 -98.46986 278.19597
9215.0000 -99.98190 -98.04592 1.93598 1.67644 -98.39223 285.35959
9220.0000 -99.67926 -98.11488 1.56439 1.69066 -98.22596 301.47100
9225.0000 -100.14095 -98.61147 1.52947 1.69767 -98.14394 309.28973
9230.0000 -99.42584 -97.99601 1.42983 1.67817 -98.37196 287.10314
9235.0000 -99.81836 -97.97435 1.84401 1.69656 -98.15687 313.29905
9240.0000 -99.69308 -98.16282 1.53026 1.72069 -97.87465 334.92227
9245.0000 -99.88607 -98.39897 1.48710 1.70428 -98.06666 320.71615
9250.0000 -99.81435 -98.24742 1.56693 1.67619 -98.39516 289.82750
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 53.9613783 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink