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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_42/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_42.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 = 42 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 42 4200
main_MD> Size of nv and nvoiz: 42 4200
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 = 42
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -1.0991834382414890E-002 -3.8486633909984663E-002 3.3558602743783673E-002 initial drift of cluster / NP1 for coalescence
init> 0.31561581980694314 0.29715843147181364 0.29959714068017401 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7285181987076221E-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) -2.27595 1.10107 8.07814
force_rgl> df(natom) 1.41973 1.53795 -2.24408
preparo> THERMALIZATION PROCESS AT 1204.8088439444739
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -87.099879803034398 6.7742293558307116 -93.874109158865110 6.6295515526863422E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
FREEZING PROCESS: loop number 1 T-loop= 1181.0000000000000
main_MD> interactions number 1 at Temperature= 1181.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16704 -1.18171 -2.50054
force_rgl> df(natom) -6.06247 -4.55201 -2.47243
5.0000 -96.97634 -88.33666 8.63967 2.94089 -88.36598 1264.22054
10.0000 -96.01375 -90.35269 5.66106 2.84252 -89.55445 1235.54435
15.0000 -96.07567 -87.84353 8.23215 2.88889 -88.99423 1232.14847
20.0000 -94.22341 -86.26418 7.95923 2.97597 -87.94209 1306.83354
25.0000 -96.54987 -88.37883 8.17104 3.07784 -86.71117 1383.05447
30.0000 -94.27270 -88.42820 5.84450 2.90088 -88.84942 1278.81569
35.0000 -94.40883 -87.07165 7.33719 2.91824 -88.63962 1283.64756
40.0000 -95.75981 -89.01204 6.74777 3.01563 -87.46280 1343.02537
45.0000 -96.22301 -90.02708 6.19593 2.86548 -89.27711 1222.60115
50.0000 -94.76705 -87.42273 7.34433 2.93134 -88.48135 1268.99102
55.0000 -95.48472 -88.83676 6.64796 2.94275 -88.34345 1249.43606
60.0000 -97.30921 -89.96647 7.34274 2.89820 -88.88169 1242.81466
65.0000 -96.40930 -91.75044 4.65886 2.73002 -90.91387 1086.46458
70.0000 -97.11780 -90.35933 6.75847 2.70477 -91.21895 1101.85631
75.0000 -98.61769 -91.47450 7.14319 2.75418 -90.62186 1157.09816
80.0000 -96.09247 -89.84627 6.24621 2.80383 -90.02202 1159.16918
85.0000 -96.53919 -88.83080 7.70839 2.91342 -88.69785 1253.05723
90.0000 -95.37672 -89.48174 5.89498 2.84771 -89.49180 1189.35327
95.0000 -95.63223 -89.13784 6.49439 2.83319 -89.66724 1173.64342
100.0000 -96.38415 -89.63789 6.74626 2.84234 -89.55673 1262.11119
105.0000 -95.97439 -89.27603 6.69835 2.80858 -89.96464 1224.79438
110.0000 -96.33398 -89.13273 7.20125 2.87163 -89.20278 1223.88351
115.0000 -96.77885 -90.66442 6.11444 2.75566 -90.60401 1116.93386
120.0000 -95.65463 -89.05390 6.60072 2.80675 -89.98668 1179.93979
125.0000 -95.40376 -90.40961 4.99415 2.78870 -90.20482 1125.86714
130.0000 -95.37958 -89.57533 5.80425 2.78011 -90.30858 1182.31423
135.0000 -95.60964 -89.48354 6.12610 2.88414 -89.05162 1225.52231
140.0000 -96.81077 -91.50797 5.30280 2.81896 -89.83919 1194.99146
145.0000 -97.35280 -91.32077 6.03203 2.71624 -91.08038 1105.95753
150.0000 -95.20457 -90.38560 4.81897 2.68641 -91.44074 1099.66913
155.0000 -98.46733 -90.93755 7.52978 2.85946 -89.34984 1243.84383
160.0000 -96.56742 -90.47374 6.09369 2.79816 -90.09049 1184.88822
165.0000 -95.51111 -89.32740 6.18371 2.84039 -89.58023 1207.25511
170.0000 -95.93602 -90.55466 5.38136 2.78434 -90.25747 1173.01795
175.0000 -96.23496 -89.25312 6.98184 2.79188 -90.16640 1149.39116
180.0000 -94.57102 -88.15997 6.41105 2.97445 -87.96039 1346.17786
185.0000 -96.02373 -89.91632 6.10741 2.89140 -88.96392 1276.08980
190.0000 -97.72893 -91.10773 6.62121 2.77642 -90.35323 1142.87135
195.0000 -96.66065 -90.06131 6.59934 2.73754 -90.82299 1124.82398
200.0000 -96.34038 -89.94426 6.39611 2.79495 -90.12934 1159.50984
205.0000 -94.53694 -88.66991 5.86703 2.90465 -88.80376 1297.55029
210.0000 -96.41033 -89.10315 7.30717 2.87402 -89.17386 1241.65625
215.0000 -96.64902 -89.47768 7.17134 2.84456 -89.52985 1165.00997
220.0000 -97.21005 -90.43512 6.77493 2.74625 -90.71769 1143.14092
225.0000 -95.77348 -88.08702 7.68646 2.91310 -88.70175 1336.29370
230.0000 -96.85650 -89.24116 7.61534 2.91753 -88.64812 1297.23009
235.0000 -94.72366 -89.08533 5.63833 2.88606 -89.02843 1260.94686
240.0000 -96.03728 -89.81193 6.22535 2.84403 -89.53623 1214.40533
245.0000 -97.68805 -91.06039 6.62766 2.76596 -90.47962 1145.39050
250.0000 -95.36423 -90.54265 4.82158 2.75785 -90.57760 1147.26963
FREEZING PROCESS: loop number 2 T-loop= 1156.0000000000000
main_MD> interactions number 2 at Temperature= 1156.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85094 -1.83709 -3.51164
force_rgl> df(natom) 0.53802 2.76800 1.53450
255.0000 -96.45678 -90.42414 6.03264 2.72418 -90.98440 1117.45705
260.0000 -97.17617 -88.88459 8.29158 2.78211 -90.28446 1131.46622
265.0000 -97.16007 -89.44123 7.71885 2.95159 -88.23669 1356.82295
270.0000 -96.97144 -90.71911 6.25234 2.81584 -89.87684 1201.89028
275.0000 -98.63411 -92.23202 6.40209 2.68879 -91.41200 1100.45445
280.0000 -96.20711 -89.91963 6.28748 2.74122 -90.77844 1176.75813
285.0000 -96.58494 -89.97246 6.61248 2.78856 -90.20649 1224.59527
290.0000 -96.52887 -90.40880 6.12007 2.76027 -90.54838 1167.43027
295.0000 -98.59236 -90.76103 7.83133 2.71350 -91.11345 1100.25799
300.0000 -95.94793 -88.57205 7.37588 2.82342 -89.78525 1231.76759
305.0000 -96.59669 -90.44688 6.14981 2.83145 -89.68829 1264.73793
310.0000 -95.95743 -90.06657 5.89086 2.78601 -90.23733 1192.00372
315.0000 -96.41112 -90.25824 6.15288 2.78520 -90.24715 1198.01487
320.0000 -96.64470 -90.90745 5.73724 2.74096 -90.78163 1163.81189
325.0000 -96.18137 -90.34085 5.84052 2.77496 -90.37080 1195.10985
330.0000 -97.17324 -91.07799 6.09525 2.78961 -90.19379 1194.26035
335.0000 -98.37092 -92.34134 6.02958 2.66580 -91.68972 1042.71917
340.0000 -97.95510 -91.53097 6.42413 2.73504 -90.85316 1151.53476
345.0000 -97.11809 -90.42268 6.69541 2.74104 -90.78073 1127.52223
350.0000 -98.42245 -91.83591 6.58654 2.77374 -90.38556 1168.43535
355.0000 -96.15831 -89.00823 7.15009 2.77188 -90.40806 1200.61807
360.0000 -97.02509 -90.64789 6.37721 2.76190 -90.52860 1145.91969
365.0000 -95.67344 -88.88017 6.79327 2.81090 -89.93659 1137.93067
370.0000 -95.99168 -88.37025 7.62142 2.85751 -89.37336 1239.07287
375.0000 -95.86354 -90.71175 5.15179 2.85687 -89.38107 1216.75881
380.0000 -96.53112 -89.04782 7.48330 2.76948 -90.43705 1086.62798
385.0000 -94.20586 -88.54115 5.66471 2.96111 -88.12166 1323.45170
390.0000 -97.00835 -88.65856 8.34979 2.96211 -88.10955 1350.30168
395.0000 -96.33161 -89.76579 6.56581 2.85598 -89.39185 1255.64440
400.0000 -96.77313 -91.37485 5.39828 2.80126 -90.05310 1227.63686
405.0000 -96.32156 -91.30217 5.01939 2.80399 -90.02005 1131.59794
410.0000 -98.82474 -93.19378 5.63097 2.64551 -91.93497 1093.06860
415.0000 -98.58121 -93.24970 5.33152 2.49145 -93.79638 981.09697
420.0000 -98.14396 -91.88659 6.25738 2.63041 -92.11741 1056.99646
425.0000 -98.21138 -91.10366 7.10772 2.66639 -91.68260 1096.19659
430.0000 -95.75233 -88.52848 7.22384 2.79343 -90.14769 1176.36131
435.0000 -97.64466 -91.89601 5.74865 2.84560 -89.51731 1230.85241
440.0000 -98.08913 -92.50116 5.58797 2.61931 -92.25153 1003.57515
445.0000 -97.00317 -90.12034 6.88283 2.72522 -90.97187 1109.81783
450.0000 -95.14636 -86.48919 8.65717 2.93536 -88.43276 1302.99532
455.0000 -98.00173 -90.71651 7.28521 2.98174 -87.87240 1344.18716
460.0000 -97.19553 -91.34493 5.85060 2.67567 -91.57056 1078.73169
465.0000 -97.97105 -90.92755 7.04350 2.73376 -90.86860 1141.66022
470.0000 -96.54476 -88.95203 7.59273 2.80501 -90.00776 1173.78392
475.0000 -95.94703 -88.67990 7.26713 2.93441 -88.44424 1245.05465
480.0000 -96.54288 -89.02598 7.51691 2.89292 -88.94558 1250.08293
485.0000 -94.10094 -87.52568 6.57526 2.91782 -88.64473 1240.64875
490.0000 -96.77889 -88.36442 8.41447 2.91510 -88.67749 1231.47631
495.0000 -97.70352 -92.45729 5.24624 2.74957 -90.67762 1173.56087
500.0000 -97.58061 -89.60484 7.97577 2.72477 -90.97720 1150.22993
FREEZING PROCESS: loop number 3 T-loop= 1131.0000000000000
main_MD> interactions number 3 at Temperature= 1131.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.53160 -1.45483 -1.84023
force_rgl> df(natom) -3.76643 -1.14782 0.68959
505.0000 -98.07010 -92.39805 5.67205 2.67791 -91.54351 1073.97222
510.0000 -97.53175 -91.17213 6.35962 2.65506 -91.81951 1053.74319
515.0000 -98.50790 -91.46395 7.04395 2.67269 -91.60658 1044.13791
520.0000 -97.23673 -90.27500 6.96172 2.79708 -90.10351 1221.55000
525.0000 -95.96699 -88.81420 7.15279 2.76457 -90.49640 1178.64218
530.0000 -97.03744 -91.15181 5.88563 2.82559 -89.75905 1156.09099
535.0000 -96.68691 -90.88595 5.80096 2.67854 -91.53585 1080.93070
540.0000 -96.31245 -90.35370 5.95875 2.76090 -90.54074 1124.80734
545.0000 -97.99257 -92.85311 5.13946 2.68845 -91.41606 1138.83484
550.0000 -97.92162 -91.64853 6.27309 2.56413 -92.91822 980.66655
555.0000 -95.82135 -88.00382 7.81753 2.87132 -89.20657 1266.02779
560.0000 -96.20483 -89.94905 6.25578 2.84863 -89.48067 1262.35718
565.0000 -96.58536 -89.71583 6.86953 2.85358 -89.42092 1204.21241
570.0000 -97.17214 -92.19238 4.97975 2.72125 -91.01977 1124.25395
575.0000 -97.14509 -91.60734 5.53776 2.69573 -91.32810 1078.47605
580.0000 -98.69279 -92.38343 6.30936 2.63814 -92.02397 1059.50233
585.0000 -98.46942 -92.52582 5.94360 2.61563 -92.29593 1051.23899
590.0000 -98.73813 -92.34646 6.39166 2.63988 -92.00299 1072.00934
595.0000 -98.50571 -93.37513 5.13058 2.57501 -92.78672 1010.87853
600.0000 -97.38524 -92.76872 4.61652 2.51327 -93.53273 946.77080
605.0000 -98.31152 -92.11758 6.19394 2.60398 -92.43670 1034.61946
610.0000 -97.28379 -92.07986 5.20393 2.62468 -92.18666 999.07761
615.0000 -97.40796 -90.73978 6.66818 2.68208 -91.49308 1104.59533
620.0000 -97.79562 -90.47029 7.32533 2.80993 -89.94823 1234.92212
625.0000 -96.37206 -89.11882 7.25325 2.83444 -89.65217 1219.28151
630.0000 -97.52768 -89.07970 8.44798 2.87055 -89.21584 1275.64602
635.0000 -96.30234 -90.88708 5.41526 2.81715 -89.86105 1169.88482
640.0000 -96.69778 -91.18889 5.50889 2.72161 -91.01546 1075.22154
645.0000 -97.08946 -89.48216 7.60731 2.76032 -90.54776 1139.89773
650.0000 -96.36631 -90.10656 6.25976 2.81749 -89.85690 1174.75903
655.0000 -98.46870 -92.13249 6.33620 2.74864 -90.68880 1091.29162
660.0000 -98.10057 -92.71128 5.38930 2.63415 -92.07213 1045.31806
665.0000 -97.68331 -90.87282 6.81049 2.61203 -92.33945 1077.55461
670.0000 -96.68285 -91.44128 5.24157 2.69453 -91.34263 1117.22984
675.0000 -98.86355 -93.11962 5.74393 2.63963 -92.00598 1044.12261
680.0000 -98.03015 -92.61693 5.41322 2.53833 -93.22992 958.79729
685.0000 -96.73449 -91.33247 5.40203 2.63048 -92.11648 1046.01035
690.0000 -96.78418 -90.56106 6.22312 2.69183 -91.37527 1140.34299
695.0000 -96.61837 -91.04105 5.57732 2.70675 -91.19501 1156.51125
700.0000 -96.27597 -90.14256 6.13341 2.73607 -90.84069 1106.85713
705.0000 -96.78449 -91.92216 4.86233 2.70984 -91.15765 1093.60641
710.0000 -96.91802 -89.62464 7.29338 2.76133 -90.53555 1192.79829
715.0000 -96.15568 -89.42138 6.73430 2.82040 -89.82175 1191.65474
720.0000 -94.15881 -88.36782 5.79099 2.93447 -88.44350 1257.82220
725.0000 -96.65690 -89.84913 6.80778 2.84936 -89.47188 1178.31288
730.0000 -97.26540 -92.18427 5.08113 2.68381 -91.47220 1073.73543
735.0000 -96.39186 -90.47461 5.91726 2.69783 -91.30282 1092.22547
740.0000 -96.15575 -90.57087 5.58487 2.85841 -89.36250 1211.74564
745.0000 -96.83476 -89.92614 6.90862 2.80468 -90.01176 1161.08968
750.0000 -98.19659 -92.08967 6.10692 2.75928 -90.56030 1110.92345
FREEZING PROCESS: loop number 4 T-loop= 1106.0000000000000
main_MD> interactions number 4 at Temperature= 1106.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25720 -1.35516 -0.58298
force_rgl> df(natom) 3.40046 -0.50157 2.53430
755.0000 -98.16404 -92.69788 5.46616 2.63079 -92.11278 1063.99286
760.0000 -97.65425 -91.78626 5.86799 2.58515 -92.66425 1015.99095
765.0000 -99.15316 -92.02743 7.12573 2.68347 -91.47627 1135.19177
770.0000 -98.70452 -92.40029 6.30423 2.61736 -92.27511 1051.97759
775.0000 -98.55633 -93.14257 5.41376 2.57415 -92.79714 983.21777
780.0000 -98.64955 -92.71975 5.92981 2.54268 -93.17741 1016.01904
785.0000 -96.72845 -90.27477 6.45368 2.72312 -90.99714 1104.18164
790.0000 -96.73240 -89.63248 7.09992 2.78058 -90.30286 1112.18112
795.0000 -97.11812 -90.62169 6.49642 2.82210 -89.80127 1216.08480
800.0000 -95.83313 -90.57937 5.25376 2.82283 -89.79245 1222.36061
805.0000 -97.00944 -90.22813 6.78132 2.81591 -89.87602 1162.16000
810.0000 -98.09831 -91.87884 6.21947 2.69614 -91.32324 1110.19919
815.0000 -98.10047 -91.56476 6.53571 2.67662 -91.55909 1086.29797
820.0000 -96.93024 -90.38869 6.54155 2.73160 -90.89478 1093.69904
825.0000 -98.04207 -92.82150 5.22057 2.70798 -91.18008 1106.63953
830.0000 -97.67151 -90.91332 6.75819 2.77886 -90.32364 1144.20637
835.0000 -96.39656 -91.20137 5.19518 2.70991 -91.15683 1102.91724
840.0000 -95.79908 -90.43125 5.36783 2.74489 -90.73417 1152.92131
845.0000 -95.53052 -89.96700 5.56352 2.75979 -90.55406 1103.86624
850.0000 -98.61662 -92.64750 5.96912 2.70891 -91.16892 1137.12494
855.0000 -97.21157 -91.27304 5.93852 2.66145 -91.74235 1079.57363
860.0000 -96.36090 -90.08717 6.27373 2.75493 -90.61280 1137.90283
865.0000 -96.63289 -91.14655 5.48634 2.74907 -90.68368 1135.56610
870.0000 -96.56048 -91.27698 5.28349 2.72737 -90.94587 1128.13589
875.0000 -97.18853 -91.13410 6.05442 2.71975 -91.03793 1078.53366
880.0000 -97.34247 -91.59385 5.74862 2.74053 -90.78685 1157.88965
885.0000 -98.56273 -91.91217 6.65056 2.75505 -90.61136 1170.69418
890.0000 -98.63401 -93.19958 5.43443 2.61658 -92.28446 1030.62273
895.0000 -98.66734 -93.12398 5.54336 2.58983 -92.60767 1039.93651
900.0000 -96.33100 -90.07693 6.25407 2.65497 -91.82060 1060.14317
905.0000 -95.78117 -89.47723 6.30394 2.81900 -89.83871 1180.95081
910.0000 -96.34471 -89.67510 6.66961 2.83815 -89.60726 1183.21069
915.0000 -95.49009 -89.24776 6.24233 2.81425 -89.89606 1176.85118
920.0000 -97.36349 -91.93346 5.43003 2.69820 -91.29826 1124.76385
925.0000 -97.50331 -90.48081 7.02249 2.73987 -90.79478 1147.01444
930.0000 -98.24695 -91.66558 6.58137 2.69689 -91.31413 1138.76761
935.0000 -96.30059 -92.09117 4.20942 2.71314 -91.11777 1082.64192
940.0000 -98.19444 -93.58608 4.60836 2.58575 -92.65702 990.02396
945.0000 -97.92844 -92.37307 5.55537 2.55051 -93.08281 1003.08104
950.0000 -99.10808 -93.39257 5.71551 2.58523 -92.66331 1004.51979
955.0000 -97.16593 -91.41404 5.75189 2.62972 -92.12575 1055.04742
960.0000 -98.24001 -92.45364 5.78636 2.60493 -92.42528 1038.39095
965.0000 -97.28775 -91.68110 5.60665 2.60292 -92.44959 952.69729
970.0000 -96.96215 -90.20615 6.75600 2.74809 -90.69544 1120.62086
975.0000 -98.44481 -91.16856 7.27626 2.68534 -91.45371 1047.91797
980.0000 -98.53010 -94.20366 4.32644 2.64911 -91.89146 1032.58927
985.0000 -97.90900 -92.65549 5.25351 2.51762 -93.48018 956.41488
990.0000 -99.29795 -93.69428 5.60367 2.57116 -92.83329 1002.77312
995.0000 -98.93146 -92.95940 5.97206 2.58534 -92.66191 1031.25539
1000.0000 -97.01634 -91.77808 5.23826 2.63539 -92.05715 1068.52624
FREEZING PROCESS: loop number 5 T-loop= 1081.0000000000000
main_MD> interactions number 5 at Temperature= 1081.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90320 0.96678 -2.79581
force_rgl> df(natom) -0.09838 -4.13321 3.06705
1005.0000 -96.44513 -90.08386 6.36127 2.73509 -90.85261 1107.87799
1010.0000 -96.56843 -89.65071 6.91771 2.80628 -89.99241 1157.96273
1015.0000 -96.32659 -90.50619 5.82040 2.76150 -90.53342 1101.93396
1020.0000 -97.74559 -90.73299 7.01259 2.82251 -89.79631 1203.61147
1025.0000 -96.79816 -91.87992 4.91823 2.70053 -91.27018 1074.05265
1030.0000 -99.04965 -92.63978 6.40987 2.60667 -92.40425 1025.88601
1035.0000 -96.60498 -91.52408 5.08090 2.61029 -92.36051 961.01881
1040.0000 -95.88343 -89.38241 6.50102 2.79690 -90.10576 1144.10978
1045.0000 -95.92854 -89.36990 6.55864 2.85955 -89.34876 1217.94136
1050.0000 -95.75171 -89.84981 5.90190 2.89497 -88.92077 1226.36526
1055.0000 -96.62825 -92.32596 4.30229 2.75961 -90.55631 1163.56712
1060.0000 -98.62449 -92.10855 6.51594 2.64761 -91.90955 1068.07079
1065.0000 -97.65321 -90.01218 7.64103 2.72492 -90.97539 1125.46050
1070.0000 -97.33852 -91.17186 6.16666 2.80390 -90.02110 1178.25337
1075.0000 -96.19802 -89.42047 6.77756 2.79100 -90.17703 1094.84928
1080.0000 -98.44522 -93.34599 5.09923 2.63866 -92.01767 1011.08733
1085.0000 -98.68762 -93.05807 5.62955 2.57925 -92.73550 1019.01166
1090.0000 -98.83169 -92.56810 6.26360 2.58642 -92.64886 1017.50629
1095.0000 -99.21619 -93.15541 6.06078 2.57634 -92.77074 1010.72230
1100.0000 -97.11350 -91.63920 5.47429 2.57105 -92.83457 1018.98031
1105.0000 -97.43608 -90.77345 6.66263 2.68339 -91.47724 1063.68084
1110.0000 -98.77195 -93.90438 4.86757 2.59846 -92.50338 1003.60852
1115.0000 -95.75454 -91.19060 4.56394 2.63992 -92.00247 1038.47926
1120.0000 -96.51489 -90.05137 6.46352 2.75916 -90.56170 1110.21847
1125.0000 -98.02730 -91.59930 6.42800 2.73772 -90.82081 1144.20533
1130.0000 -97.59998 -91.72120 5.87878 2.63577 -92.05267 1049.71660
1135.0000 -96.62683 -91.54576 5.08107 2.62887 -92.13599 1039.01836
1140.0000 -96.56914 -91.32476 5.24438 2.71165 -91.13579 1151.89871
1145.0000 -96.82470 -90.95174 5.87296 2.70790 -91.18111 1110.59050
1150.0000 -95.84387 -90.19253 5.65134 2.81175 -89.92629 1183.80918
1155.0000 -97.77356 -90.19357 7.57999 2.80193 -90.04493 1170.01376
1160.0000 -98.38790 -92.00222 6.38568 2.71223 -91.12879 1120.12307
1165.0000 -97.85481 -91.54803 6.30677 2.64857 -91.89801 1063.11979
1170.0000 -96.11813 -92.10531 4.01283 2.65883 -91.77404 1041.71668
1175.0000 -98.45316 -92.22405 6.22911 2.56813 -92.86994 994.76990
1180.0000 -96.96739 -91.28541 5.68198 2.70649 -91.19808 1177.14471
1185.0000 -97.83243 -91.75624 6.07619 2.63899 -92.01366 995.41505
1190.0000 -97.70112 -92.56912 5.13199 2.61943 -92.25008 1034.02669
1195.0000 -97.22737 -91.04111 6.18625 2.68025 -91.51515 1096.75276
1200.0000 -96.43693 -90.09961 6.33732 2.74813 -90.69498 1145.63434
1205.0000 -96.81723 -90.02427 6.79296 2.77826 -90.33091 1197.39815
1210.0000 -97.07880 -91.33060 5.74820 2.77005 -90.43015 1157.53415
1215.0000 -97.96000 -93.03743 4.92256 2.63387 -92.07563 1029.15080
1220.0000 -96.46855 -91.11545 5.35310 2.66021 -91.75730 1042.00407
1225.0000 -97.12260 -90.40096 6.72164 2.75038 -90.66786 1116.75756
1230.0000 -96.06217 -89.78199 6.28018 2.81909 -89.83757 1194.19037
1235.0000 -97.30694 -89.97801 7.32893 2.85666 -89.38365 1281.37988
1240.0000 -95.69258 -90.83648 4.85610 2.79426 -90.13765 1169.88671
1245.0000 -98.24387 -92.56708 5.67679 2.67219 -91.61251 1094.35350
1250.0000 -97.36775 -92.49169 4.87606 2.55951 -92.97410 973.74280
FREEZING PROCESS: loop number 6 T-loop= 1056.0000000000000
main_MD> interactions number 6 at Temperature= 1056.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.00120 -3.63317 1.83367
force_rgl> df(natom) -6.10139 5.89050 -1.30726
1255.0000 -98.50705 -92.22035 6.28670 2.59699 -92.52114 1024.72005
1260.0000 -98.66596 -91.49391 7.17205 2.66690 -91.67653 1095.89912
1265.0000 -97.14273 -90.86651 6.27622 2.67331 -91.59907 1057.71469
1270.0000 -97.20397 -91.39598 5.80799 2.64835 -91.90056 1022.06217
1275.0000 -97.28637 -91.03259 6.25378 2.61582 -92.29364 1062.74903
1280.0000 -96.43162 -91.16089 5.27073 2.66616 -91.68538 1080.82743
1285.0000 -98.69610 -91.72570 6.97039 2.68296 -91.48245 1117.80249
1290.0000 -98.39906 -92.27729 6.12177 2.59326 -92.56627 1001.24324
1295.0000 -96.73889 -90.83726 5.90162 2.65318 -91.84230 1069.46474
1300.0000 -97.88982 -91.14516 6.74467 2.66421 -91.70893 1110.08639
1305.0000 -98.13231 -91.24314 6.88917 2.70909 -91.16674 1138.85063
1310.0000 -97.37509 -91.10811 6.26699 2.62422 -92.19217 1045.26309
1315.0000 -97.76621 -91.62364 6.14257 2.68675 -91.43661 1037.22531
1320.0000 -98.33553 -92.35154 5.98399 2.63027 -92.11907 1051.62309
1325.0000 -97.67357 -93.25872 4.41485 2.50506 -93.63201 949.72353
1330.0000 -96.72610 -91.91658 4.80952 2.55606 -93.01569 939.79469
1335.0000 -98.42184 -92.96769 5.45415 2.63284 -92.08802 1055.01589
1340.0000 -97.12122 -91.38993 5.73129 2.62881 -92.13672 1034.90278
1345.0000 -97.93522 -92.44854 5.48668 2.54274 -93.17664 989.55460
1350.0000 -97.35908 -91.59449 5.76458 2.67076 -91.62984 1072.42793
1355.0000 -97.92983 -91.29417 6.63566 2.68503 -91.45746 1085.55846
1360.0000 -95.89245 -89.88511 6.00734 2.76881 -90.44511 1166.41997
1365.0000 -97.59312 -91.35517 6.23795 2.78520 -90.24704 1172.49823
1370.0000 -99.51520 -93.82592 5.68928 2.56413 -92.91826 1001.78224
1375.0000 -98.51929 -91.80131 6.71797 2.58027 -92.72322 1011.62795
1380.0000 -98.67391 -92.91288 5.76103 2.55991 -92.96918 1024.01929
1385.0000 -98.08346 -92.40651 5.67695 2.55595 -93.01703 1000.88086
1390.0000 -96.78782 -89.84564 6.94218 2.78595 -90.23800 1155.90007
1395.0000 -97.57880 -92.81120 4.76760 2.69337 -91.35664 1072.60418
1400.0000 -98.28127 -92.15815 6.12312 2.58107 -92.71356 1041.92751
1405.0000 -97.46809 -91.80107 5.66702 2.59238 -92.57691 1036.70182
1410.0000 -99.29264 -93.58018 5.71246 2.55089 -93.07815 1019.33733
1415.0000 -98.22869 -92.55804 5.67065 2.62896 -92.13494 1049.93036
1420.0000 -96.85132 -90.61534 6.23598 2.64431 -91.94949 1083.70599
1425.0000 -95.91144 -90.14075 5.77069 2.74960 -90.67718 1145.34003
1430.0000 -96.31622 -90.30724 6.00898 2.79022 -90.18641 1171.62090
1435.0000 -97.71668 -91.31382 6.40286 2.73371 -90.86927 1136.26003
1440.0000 -96.72377 -92.51401 4.20976 2.60722 -92.39755 983.23823
1445.0000 -98.12959 -92.73363 5.39596 2.55360 -93.04544 951.95907
1450.0000 -97.27236 -91.65644 5.61592 2.60743 -92.39503 1018.56592
1455.0000 -97.12163 -91.76743 5.35420 2.67575 -91.56950 1075.80887
1460.0000 -98.77718 -94.13168 4.64551 2.55381 -93.04289 912.17922
1465.0000 -98.51458 -92.63937 5.87522 2.58119 -92.71207 999.91341
1470.0000 -98.45056 -92.52217 5.92839 2.58596 -92.65451 1022.56176
1475.0000 -98.54146 -93.12152 5.41994 2.54921 -93.09847 979.90313
1480.0000 -98.16281 -93.31454 4.84827 2.54278 -93.17624 1003.37151
1485.0000 -99.34649 -93.87066 5.47583 2.52754 -93.36029 1009.23550
1490.0000 -97.47080 -92.15752 5.31328 2.57366 -92.80313 1040.01799
1495.0000 -96.94939 -91.10960 5.83978 2.66857 -91.65628 1071.15616
1500.0000 -97.17457 -91.83940 5.33517 2.74320 -90.75459 1110.34564
FREEZING PROCESS: loop number 7 T-loop= 1031.0000000000000
main_MD> interactions number 7 at Temperature= 1031.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -18.13783 -8.72263 8.80492
force_rgl> df(natom) 2.86974 0.19177 1.80738
1505.0000 -99.25990 -94.67698 4.58292 2.57540 -92.78210 1018.85878
1510.0000 -97.30823 -91.75421 5.55402 2.52905 -93.34214 954.05040
1515.0000 -96.77996 -92.11878 4.66118 2.67942 -91.52521 1064.13689
1520.0000 -97.97557 -91.59214 6.38344 2.67541 -91.57370 1096.97705
1525.0000 -97.58710 -92.44300 5.14410 2.69185 -91.37504 1046.22182
1530.0000 -98.59578 -93.81252 4.78325 2.51621 -93.49722 930.62799
1535.0000 -98.82901 -94.15129 4.67772 2.47182 -94.03362 936.65128
1540.0000 -97.60385 -90.81922 6.78463 2.56183 -92.94608 992.65725
1545.0000 -96.63335 -91.27565 5.35770 2.69348 -91.35528 1127.05378
1550.0000 -97.62886 -91.67550 5.95335 2.69006 -91.39660 1093.54909
1555.0000 -96.69478 -91.66521 5.02957 2.67205 -91.61424 1098.73663
1560.0000 -95.76493 -88.63307 7.13186 2.80005 -90.06768 1175.28487
1565.0000 -99.38556 -92.34969 7.03587 2.88187 -89.07905 1260.06510
1570.0000 -99.04494 -92.82312 6.22182 2.55780 -92.99467 986.25154
1575.0000 -97.94303 -92.72088 5.22214 2.56363 -92.92428 1037.16222
1580.0000 -98.45563 -92.75309 5.70255 2.66472 -91.70277 1113.25114
1585.0000 -98.94350 -92.85198 6.09151 2.61627 -92.28825 1024.23340
1590.0000 -97.92982 -91.96151 5.96832 2.60527 -92.42113 1016.54584
1595.0000 -95.22751 -89.19412 6.03338 2.75364 -90.62840 1151.81506
1600.0000 -98.25846 -92.12433 6.13414 2.68134 -91.50197 1093.78425
1605.0000 -98.99087 -93.14675 5.84412 2.54820 -93.11074 1008.50572
1610.0000 -99.76232 -95.57493 4.18739 2.43844 -94.43686 926.63501
1615.0000 -99.39917 -94.63356 4.76560 2.48099 -93.92275 951.85727
1620.0000 -97.91189 -92.79632 5.11557 2.51260 -93.54091 995.57537
1625.0000 -97.39078 -91.73174 5.65905 2.63560 -92.05468 1008.29765
1630.0000 -97.69980 -92.21342 5.48638 2.69558 -91.32996 1061.34698
1635.0000 -96.16007 -91.00920 5.15087 2.65237 -91.85207 1056.04233
1640.0000 -97.40241 -91.72943 5.67298 2.66548 -91.69360 1049.09768
1645.0000 -95.80192 -90.05699 5.74493 2.66176 -91.73853 1067.34757
1650.0000 -97.52273 -91.11870 6.40402 2.78886 -90.20288 1148.56692
1655.0000 -98.49151 -91.42946 7.06205 2.70374 -91.23137 1117.64472
1660.0000 -97.30000 -91.94048 5.35951 2.67300 -91.60273 1063.41161
1665.0000 -98.05048 -92.62225 5.42822 2.59737 -92.51661 985.13990
1670.0000 -98.31163 -93.87416 4.43748 2.51500 -93.51191 963.23853
1675.0000 -98.64472 -94.21357 4.43114 2.52105 -93.43871 987.47489
1680.0000 -99.55419 -93.60680 5.94739 2.44118 -94.40378 904.05937
1685.0000 -99.45850 -93.58956 5.86895 2.50484 -93.63459 953.26496
1690.0000 -99.16188 -93.21341 5.94847 2.51524 -93.50896 942.78543
1695.0000 -98.56973 -92.72796 5.84176 2.51493 -93.51275 946.62750
1700.0000 -98.83817 -94.22404 4.61413 2.51101 -93.56011 932.14221
1705.0000 -97.09550 -91.57742 5.51808 2.56974 -92.85040 987.17084
1710.0000 -97.86069 -91.37366 6.48703 2.67720 -91.55203 1056.49099
1715.0000 -97.26701 -90.93021 6.33681 2.75696 -90.58835 1134.50538
1720.0000 -96.66227 -90.24936 6.41292 2.73292 -90.87881 1117.14640
1725.0000 -98.01601 -92.10260 5.91341 2.69576 -91.32782 1101.24956
1730.0000 -96.59662 -91.06390 5.53272 2.64809 -91.90371 1068.44515
1735.0000 -97.96953 -92.95234 5.01718 2.65162 -91.86116 1101.95809
1740.0000 -98.04721 -91.93412 6.11309 2.58411 -92.67681 988.05707
1745.0000 -97.40177 -92.08222 5.31955 2.61145 -92.34644 1043.84708
1750.0000 -95.90239 -90.25676 5.64563 2.66758 -91.66824 1094.65616
FREEZING PROCESS: loop number 8 T-loop= 1006.0000000000000
main_MD> interactions number 8 at Temperature= 1006.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55111 -0.66151 0.79126
force_rgl> df(natom) -2.36552 -0.93937 8.58584
1755.0000 -97.48984 -91.95804 5.53179 2.78117 -90.29583 1164.86115
1760.0000 -97.01247 -91.45214 5.56033 2.65160 -91.86134 1054.74284
1765.0000 -98.15408 -92.80060 5.35348 2.63622 -92.04715 1047.97665
1770.0000 -98.32695 -92.58882 5.73813 2.59108 -92.59255 978.42695
1775.0000 -98.57289 -93.20188 5.37102 2.58730 -92.63828 1023.83598
1780.0000 -98.97073 -93.61224 5.35848 2.50418 -93.64262 962.85246
1785.0000 -99.25017 -93.87207 5.37810 2.46833 -94.07570 904.57525
1790.0000 -99.18500 -93.49424 5.69076 2.48256 -93.90378 970.24747
1795.0000 -98.63761 -93.99301 4.64461 2.47658 -93.97613 946.06021
1800.0000 -99.20007 -93.78718 5.41289 2.42998 -94.53910 895.29634
1805.0000 -99.21122 -93.49139 5.71983 2.50381 -93.64711 982.15998
1810.0000 -98.99757 -94.13026 4.86731 2.52226 -93.42415 943.84285
1815.0000 -98.29419 -92.08965 6.20454 2.55725 -93.00130 982.80888
1820.0000 -99.32480 -93.32189 6.00291 2.58725 -92.63890 1030.44489
1825.0000 -98.82595 -94.02190 4.80405 2.47153 -94.03706 929.30852
1830.0000 -97.99882 -92.01645 5.98237 2.52185 -93.42911 995.08875
1835.0000 -99.03102 -93.59076 5.44026 2.56681 -92.88582 1031.29116
1840.0000 -97.87762 -92.86590 5.01172 2.50999 -93.57239 962.80400
1845.0000 -97.09970 -92.11681 4.98289 2.52064 -93.44366 950.79187
1850.0000 -98.26730 -92.23987 6.02743 2.60738 -92.39566 1043.55230
1855.0000 -98.00100 -92.41592 5.58508 2.65294 -91.84519 1051.59726
1860.0000 -97.52579 -91.87400 5.65180 2.66381 -91.71385 1082.06610
1865.0000 -98.13317 -92.78712 5.34605 2.65403 -91.83197 1073.90173
1870.0000 -97.36292 -92.80966 4.55326 2.51755 -93.48099 952.69946
1875.0000 -97.95643 -92.31192 5.64450 2.53981 -93.21213 940.30610
1880.0000 -98.30228 -92.71967 5.58261 2.59894 -92.49765 988.66782
1885.0000 -98.71148 -92.55978 6.15171 2.58808 -92.62880 1021.17558
1890.0000 -98.66498 -92.96118 5.70380 2.56813 -92.86989 1014.41008
1895.0000 -97.98214 -92.98587 4.99626 2.59823 -92.50621 1026.62190
1900.0000 -100.39971 -95.64246 4.75725 2.49154 -93.79536 935.41540
1905.0000 -98.92093 -94.11188 4.80905 2.40674 -94.81994 867.15061
1910.0000 -98.58603 -94.23543 4.35060 2.45671 -94.21615 874.12693
1915.0000 -99.19659 -94.48382 4.71277 2.44481 -94.35991 897.32704
1920.0000 -98.29696 -94.57238 3.72458 2.44149 -94.40006 896.74663
1925.0000 -97.75228 -93.08428 4.66800 2.50311 -93.65554 946.03554
1930.0000 -98.15339 -92.55612 5.59727 2.58850 -92.62377 983.76099
1935.0000 -98.21919 -94.08947 4.12972 2.54361 -93.16616 958.40616
1940.0000 -97.16194 -90.60568 6.55625 2.60418 -92.43430 1026.35749
1945.0000 -97.42126 -92.36388 5.05737 2.63563 -92.05427 1054.08190
1950.0000 -97.46753 -92.02411 5.44342 2.63222 -92.09545 1052.37653
1955.0000 -97.85868 -91.79001 6.06868 2.67912 -91.52881 1088.03476
1960.0000 -99.09442 -94.37103 4.72339 2.53181 -93.30876 932.86001
1965.0000 -98.63522 -94.44491 4.19031 2.48359 -93.89142 950.57597
1970.0000 -99.89871 -94.69871 5.20001 2.45127 -94.28187 934.57231
1975.0000 -99.30884 -93.91672 5.39212 2.46903 -94.06732 917.99201
1980.0000 -98.91889 -92.94576 5.97313 2.53600 -93.25809 956.73215
1985.0000 -98.76552 -92.69487 6.07065 2.58001 -92.72630 1000.79377
1990.0000 -99.05864 -94.53889 4.51974 2.53963 -93.21423 1008.13994
1995.0000 -99.27631 -94.42414 4.85217 2.39843 -94.92034 863.55660
2000.0000 -99.31380 -94.53430 4.77950 2.46407 -94.12727 902.52657
FREEZING PROCESS: loop number 9 T-loop= 981.00000000000000
main_MD> interactions number 9 at Temperature= 981.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05056 -1.45628 -0.08404
force_rgl> df(natom) 0.13339 -2.65845 -0.66721
2005.0000 -99.35580 -94.39121 4.96459 2.41217 -94.75431 861.55778
2010.0000 -99.96609 -94.34279 5.62330 2.45936 -94.18417 919.96862
2015.0000 -99.89532 -95.15735 4.73796 2.35056 -95.49872 845.86382
2020.0000 -100.94010 -96.12120 4.81889 2.38625 -95.06750 871.19297
2025.0000 -99.84508 -94.82800 5.01708 2.31978 -95.87061 786.11392
2030.0000 -98.77482 -93.26028 5.51455 2.48153 -93.91622 935.52180
2035.0000 -98.23542 -92.22450 6.01093 2.55663 -93.00889 964.43054
2040.0000 -98.95521 -93.47769 5.47752 2.59849 -92.50302 998.78424
2045.0000 -99.56140 -94.35096 5.21044 2.46566 -94.10797 937.86458
2050.0000 -99.64487 -94.92522 4.71965 2.40709 -94.81568 849.34023
2055.0000 -98.85793 -94.26242 4.59551 2.42654 -94.58075 871.72382
2060.0000 -99.76452 -93.79952 5.96500 2.49025 -93.81087 917.59373
2065.0000 -98.10773 -92.72873 5.37900 2.52318 -93.41300 961.98036
2070.0000 -97.23104 -92.60547 4.62557 2.62422 -92.19216 1045.07488
2075.0000 -97.81512 -90.71966 7.09547 2.67709 -91.55341 1082.85406
2080.0000 -97.84554 -92.17771 5.66783 2.69819 -91.29846 1047.76938
2085.0000 -96.80115 -92.30484 4.49632 2.66069 -91.75150 994.47843
2090.0000 -98.67558 -93.06705 5.60854 2.58623 -92.65118 1029.54889
2095.0000 -97.98695 -92.69911 5.28784 2.58241 -92.69737 987.72162
2100.0000 -95.09345 -90.28472 4.80873 2.63360 -92.07878 1064.30977
2105.0000 -96.17858 -90.70984 5.46874 2.77488 -90.37184 1174.03485
2110.0000 -97.57634 -91.79426 5.78208 2.70343 -91.23504 1083.41637
2115.0000 -98.23288 -91.55120 6.68168 2.67999 -91.51836 1090.27066
2120.0000 -96.45105 -90.22853 6.22252 2.79901 -90.08023 1202.97647
2125.0000 -98.66884 -93.35380 5.31504 2.63251 -92.09200 1048.90531
2130.0000 -98.01371 -92.16636 5.84735 2.55289 -93.05406 1003.12029
2135.0000 -98.58853 -93.55700 5.03152 2.58752 -92.63567 989.82186
2140.0000 -96.29403 -90.89433 5.39970 2.59325 -92.56632 1017.32328
2145.0000 -99.60534 -93.81320 5.79214 2.66395 -91.71215 1039.74218
2150.0000 -99.55223 -94.62836 4.92387 2.40539 -94.83625 833.79743
2155.0000 -99.33104 -93.87051 5.46054 2.44897 -94.30970 900.87427
2160.0000 -97.97811 -92.31700 5.66111 2.53188 -93.30795 976.38034
2165.0000 -98.34868 -92.75452 5.59416 2.59224 -92.57860 997.23277
2170.0000 -96.74443 -92.30988 4.43455 2.62758 -92.15163 1007.48381
2175.0000 -99.19578 -93.60594 5.58984 2.52085 -93.44120 962.76939
2180.0000 -98.18740 -92.72328 5.46412 2.57075 -92.83822 1023.25309
2185.0000 -99.32326 -93.73946 5.58380 2.54990 -93.09022 942.28355
2190.0000 -98.19736 -93.52468 4.67268 2.54190 -93.18685 958.05613
2195.0000 -98.25968 -93.52051 4.73917 2.53775 -93.23701 943.84173
2200.0000 -98.49515 -93.32359 5.17156 2.48605 -93.86170 924.98640
2205.0000 -98.54260 -93.44912 5.09348 2.51656 -93.49306 955.78977
2210.0000 -99.07150 -93.67875 5.39275 2.44698 -94.33376 916.00061
2215.0000 -99.58836 -94.24665 5.34171 2.54635 -93.13303 1010.04361
2220.0000 -98.19655 -93.36616 4.83039 2.45690 -94.21389 866.76949
2225.0000 -98.01702 -92.48638 5.53065 2.59395 -92.55792 1005.60118
2230.0000 -98.18374 -93.42617 4.75758 2.54348 -93.16768 985.48882
2235.0000 -97.89006 -93.31570 4.57436 2.49074 -93.80500 954.77960
2240.0000 -99.27183 -93.66359 5.60825 2.55198 -93.06504 994.48994
2245.0000 -98.07315 -92.02439 6.04876 2.62722 -92.15589 1008.42993
2250.0000 -98.03897 -93.77782 4.26115 2.59247 -92.57578 1013.23896
FREEZING PROCESS: loop number 10 T-loop= 956.00000000000000
main_MD> interactions number 10 at Temperature= 956.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.38566 -10.14600 -1.10964
force_rgl> df(natom) -4.17876 -1.37127 1.05322
2255.0000 -98.47926 -93.48673 4.99253 2.53916 -93.21996 914.22652
2260.0000 -98.28702 -92.97750 5.30952 2.48507 -93.87351 969.80458
2265.0000 -97.57431 -91.76516 5.80914 2.61790 -92.26848 1040.51791
2270.0000 -99.96964 -94.41220 5.55744 2.55132 -93.07295 975.33536
2275.0000 -98.16172 -92.48703 5.67469 2.51277 -93.53882 984.04961
2280.0000 -98.71279 -92.74115 5.97164 2.51393 -93.52481 947.48832
2285.0000 -98.50781 -92.53390 5.97391 2.57584 -92.77678 1001.17184
2290.0000 -98.41385 -92.98086 5.43298 2.57895 -92.73910 1001.63531
2295.0000 -98.60280 -93.84167 4.76113 2.55746 -92.99882 1002.53556
2300.0000 -98.15343 -92.24630 5.90713 2.61920 -92.25280 1042.57167
2305.0000 -99.83982 -94.42097 5.41885 2.52634 -93.37478 960.09813
2310.0000 -98.32905 -93.61688 4.71216 2.48881 -93.82831 910.65558
2315.0000 -98.96279 -93.17104 5.79175 2.52559 -93.38388 955.52702
2320.0000 -100.47764 -95.55741 4.92023 2.47304 -94.01886 948.26857
2325.0000 -99.28145 -94.99152 4.28994 2.40578 -94.83150 904.23226
2330.0000 -99.07483 -94.68453 4.39029 2.39265 -94.99014 844.56982
2335.0000 -98.44118 -92.63162 5.80956 2.47594 -93.98387 945.75523
2340.0000 -98.87602 -93.69074 5.18528 2.51932 -93.45965 957.99451
2345.0000 -97.90145 -93.55090 4.35055 2.48990 -93.81514 900.01481
2350.0000 -99.23766 -93.37315 5.86450 2.54911 -93.09972 990.12917
2355.0000 -99.83795 -96.11114 3.72681 2.38037 -95.13861 845.36454
2360.0000 -98.93872 -94.29203 4.64669 2.36848 -95.28218 857.19551
2365.0000 -98.05806 -91.74328 6.31478 2.51479 -93.51435 946.57004
2370.0000 -98.84630 -94.17301 4.67329 2.59323 -92.56665 1034.65325
2375.0000 -99.20240 -93.46498 5.73742 2.51325 -93.53299 924.83204
2380.0000 -98.64437 -93.29598 5.34839 2.46802 -94.07956 903.26841
2385.0000 -99.10994 -93.06714 6.04280 2.53713 -93.24451 999.93813
2390.0000 -98.59417 -93.85923 4.73495 2.54723 -93.12242 982.42888
2395.0000 -99.14992 -94.12163 5.02829 2.48620 -93.85983 983.48737
2400.0000 -100.33332 -95.43611 4.89721 2.42336 -94.61912 893.75131
2405.0000 -99.85083 -95.35930 4.49152 2.35338 -95.46466 861.34355
2410.0000 -98.74869 -94.09764 4.65105 2.43795 -94.44278 894.78479
2415.0000 -100.34157 -95.58967 4.75190 2.39309 -94.98487 870.43572
2420.0000 -99.68127 -94.52415 5.15712 2.35909 -95.39569 841.17489
2425.0000 -97.89912 -92.61991 5.27922 2.51349 -93.53016 986.33599
2430.0000 -99.97971 -95.00993 4.96977 2.47063 -94.04793 943.37335
2435.0000 -100.26332 -95.65263 4.61069 2.33973 -95.62958 798.95086
2440.0000 -99.92099 -95.52367 4.39733 2.34632 -95.54993 826.80404
2445.0000 -97.98814 -92.56649 5.42166 2.42522 -94.59669 892.36962
2450.0000 -98.36543 -92.90866 5.45677 2.56177 -92.94672 1014.88768
2455.0000 -98.16997 -92.95096 5.21901 2.51643 -93.49458 980.53450
2460.0000 -98.36022 -93.60257 4.75766 2.51806 -93.47491 978.45821
2465.0000 -100.42985 -95.22884 5.20101 2.44279 -94.38437 876.96601
2470.0000 -99.26209 -94.16745 5.09464 2.37427 -95.21228 838.19648
2475.0000 -99.98775 -93.61945 6.36830 2.48381 -93.88872 921.76948
2480.0000 -98.22233 -92.76727 5.45506 2.53837 -93.22948 973.94118
2485.0000 -100.12523 -94.52248 5.60274 2.49779 -93.71980 932.27546
2490.0000 -98.30388 -93.25947 5.04440 2.51005 -93.57171 999.97514
2495.0000 -99.03518 -92.94684 6.08834 2.52150 -93.43336 989.70416
2500.0000 -99.12331 -94.33429 4.78902 2.52386 -93.40485 1008.87465
FREEZING PROCESS: loop number 11 T-loop= 931.00000000000000
main_MD> interactions number 11 at Temperature= 931.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.36240 0.73181 0.67851
force_rgl> df(natom) -2.17697 2.34308 -0.46914
2505.0000 -99.53041 -94.06300 5.46741 2.43849 -94.43626 892.58358
2510.0000 -98.24739 -93.79946 4.44793 2.44370 -94.37335 907.56300
2515.0000 -100.38090 -96.18261 4.19829 2.40047 -94.89575 858.06035
2520.0000 -100.55969 -96.23115 4.32854 2.32202 -95.84361 791.90260
2525.0000 -99.08376 -94.00335 5.08040 2.41650 -94.70204 896.53009
2530.0000 -99.28069 -94.11823 5.16246 2.47221 -94.02888 891.63299
2535.0000 -96.79173 -92.46911 4.32262 2.55484 -93.03042 962.96056
2540.0000 -98.35546 -93.80761 4.54785 2.60084 -92.47469 986.50022
2545.0000 -97.30675 -91.69862 5.60814 2.61042 -92.35891 987.66047
2550.0000 -99.08297 -92.53349 6.54948 2.61106 -92.35120 1007.48167
2555.0000 -99.26633 -94.47820 4.78812 2.47570 -93.98670 912.90637
2560.0000 -98.90624 -93.34329 5.56295 2.45853 -94.19411 891.65510
2565.0000 -99.69150 -94.13241 5.55910 2.45471 -94.24036 915.07230
2570.0000 -99.80197 -95.40688 4.39509 2.47525 -93.99217 948.12202
2575.0000 -99.52182 -95.30603 4.21579 2.29298 -96.19449 747.86499
2580.0000 -99.17641 -94.67590 4.50051 2.39943 -94.90831 828.33002
2585.0000 -98.74577 -94.43818 4.30759 2.44389 -94.37110 904.73920
2590.0000 -98.84888 -94.43059 4.41829 2.46601 -94.10375 935.33645
2595.0000 -98.36649 -93.80899 4.55749 2.48341 -93.89354 907.14285
2600.0000 -98.99846 -94.52706 4.47140 2.43957 -94.42331 903.69642
2605.0000 -98.68264 -93.76815 4.91450 2.43524 -94.47563 899.40244
2610.0000 -97.68643 -92.28780 5.39863 2.54491 -93.15046 1016.49302
2615.0000 -98.72768 -93.13833 5.58935 2.55670 -93.00804 979.00754
2620.0000 -99.51274 -95.35489 4.15785 2.38432 -95.09084 842.81671
2625.0000 -100.13969 -95.99362 4.14607 2.40933 -94.78863 875.45814
2630.0000 -98.63729 -94.27620 4.36109 2.38466 -95.08676 846.43685
2635.0000 -100.09355 -95.16501 4.92853 2.42506 -94.59859 912.70963
2640.0000 -99.50071 -94.28653 5.21418 2.40923 -94.78986 901.68377
2645.0000 -97.93717 -93.11328 4.82389 2.49317 -93.77563 906.56505
2650.0000 -98.12335 -93.04966 5.07369 2.54710 -93.12404 967.03113
2655.0000 -98.56011 -94.18996 4.37015 2.50432 -93.64090 931.73341
2660.0000 -100.56828 -95.06700 5.50127 2.32955 -95.75256 785.74356
2665.0000 -99.66200 -94.45432 5.20769 2.37567 -95.19529 836.90369
2670.0000 -100.13085 -94.92544 5.20541 2.43946 -94.42457 893.90804
2675.0000 -98.90482 -94.81924 4.08557 2.43173 -94.51793 851.29395
2680.0000 -97.32856 -92.59181 4.73675 2.50982 -93.57448 924.99184
2685.0000 -97.63184 -93.44107 4.19077 2.57065 -92.83939 996.43727
2690.0000 -98.96026 -92.98847 5.97180 2.53094 -93.31920 963.75829
2695.0000 -98.24301 -92.10091 6.14210 2.57717 -92.76066 993.74041
2700.0000 -98.91399 -94.40643 4.50755 2.54195 -93.18624 908.42158
2705.0000 -98.61009 -93.90389 4.70619 2.51631 -93.49605 924.91207
2710.0000 -99.63411 -94.48153 5.15258 2.47861 -93.95150 927.22773
2715.0000 -98.79985 -94.38816 4.41170 2.46398 -94.12836 924.60876
2720.0000 -100.78672 -95.34685 5.43987 2.39974 -94.90456 847.59305
2725.0000 -100.31969 -94.59346 5.72623 2.41776 -94.68679 916.33049
2730.0000 -99.08984 -92.87950 6.21034 2.50054 -93.68656 956.43774
2735.0000 -99.24050 -93.95206 5.28845 2.55555 -93.02196 1009.19216
2740.0000 -98.94511 -93.49043 5.45468 2.50850 -93.59045 1012.40265
2745.0000 -97.49575 -93.44865 4.04710 2.49275 -93.78070 928.90376
2750.0000 -99.22241 -93.85951 5.36290 2.53625 -93.25504 947.11758
FREEZING PROCESS: loop number 12 T-loop= 906.00000000000000
main_MD> interactions number 12 at Temperature= 906.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.12688 -1.67561 1.60678
force_rgl> df(natom) -3.11219 -0.30706 3.90597
2755.0000 -99.08589 -94.30458 4.78132 2.44100 -94.40603 891.97984
2760.0000 -98.87220 -93.27800 5.59421 2.50999 -93.57243 945.26185
2765.0000 -98.90243 -93.70543 5.19700 2.50878 -93.58702 874.73064
2770.0000 -98.54708 -93.46626 5.08082 2.59133 -92.58956 968.30740
2775.0000 -97.87609 -92.99974 4.87635 2.55839 -92.98757 965.57837
2780.0000 -98.97515 -93.38280 5.59235 2.53296 -93.29479 947.76083
2785.0000 -97.76021 -93.14469 4.61552 2.57096 -92.83569 991.52569
2790.0000 -98.63723 -92.97133 5.66590 2.57044 -92.84193 1002.87829
2795.0000 -98.01864 -93.02313 4.99551 2.54920 -93.09863 1002.46580
2800.0000 -98.65308 -95.02583 3.62725 2.45926 -94.18535 914.90269
2805.0000 -99.12232 -94.30415 4.81817 2.42077 -94.65042 887.89423
2810.0000 -99.65190 -95.44024 4.21166 2.40720 -94.81441 873.74249
2815.0000 -100.62033 -95.32491 5.29542 2.36240 -95.35573 880.52668
2820.0000 -98.15869 -93.51942 4.63926 2.43812 -94.44078 907.00327
2825.0000 -99.52506 -94.83611 4.68895 2.40520 -94.83856 859.62950
2830.0000 -98.89541 -95.12510 3.77031 2.43475 -94.48149 851.54761
2835.0000 -99.21644 -94.38322 4.83323 2.40479 -94.84344 874.06624
2840.0000 -99.20458 -94.78084 4.42374 2.42645 -94.58177 869.41845
2845.0000 -99.27521 -92.88689 6.38832 2.46267 -94.14413 914.67215
2850.0000 -98.48759 -92.43093 6.05666 2.55798 -92.99260 1018.77967
2855.0000 -97.87986 -92.69108 5.18879 2.55865 -92.98448 987.22225
2860.0000 -98.04618 -93.97647 4.06971 2.55058 -93.08197 970.39258
2865.0000 -99.17821 -94.62830 4.54991 2.41679 -94.69850 885.98175
2870.0000 -99.72187 -94.17791 5.54396 2.49649 -93.73547 905.28432
2875.0000 -99.90462 -94.98378 4.92083 2.36837 -95.28355 865.34470
2880.0000 -98.67862 -93.37534 5.30328 2.47525 -93.99213 917.44976
2885.0000 -99.81638 -94.55454 5.26184 2.48668 -93.85408 943.11579
2890.0000 -97.31062 -91.69908 5.61154 2.57326 -92.80789 1027.16156
2895.0000 -98.61214 -94.36331 4.24882 2.53407 -93.28146 968.43862
2900.0000 -99.55383 -93.79478 5.75904 2.40829 -94.80117 858.15259
2905.0000 -98.44618 -93.61743 4.82875 2.45693 -94.21349 898.54134
2910.0000 -97.10762 -91.81448 5.29313 2.58761 -92.63455 970.21004
2915.0000 -100.09173 -95.01660 5.07514 2.48067 -93.92666 953.85393
2920.0000 -99.02466 -94.35265 4.67201 2.45067 -94.28912 914.80668
2925.0000 -98.95550 -93.06545 5.89005 2.51757 -93.48080 958.17219
2930.0000 -98.20528 -94.09398 4.11130 2.52835 -93.35054 953.73497
2935.0000 -98.41982 -93.05411 5.36571 2.51994 -93.45222 956.62437
2940.0000 -99.93128 -95.27374 4.65754 2.48257 -93.90366 918.30595
2945.0000 -99.73616 -95.56182 4.17434 2.35170 -95.48497 853.52341
2950.0000 -98.45439 -94.79271 3.66168 2.35809 -95.40781 797.67412
2955.0000 -98.96515 -94.07039 4.89476 2.48975 -93.81698 910.89958
2960.0000 -100.00842 -96.05341 3.95501 2.30670 -96.02867 786.11512
2965.0000 -100.55445 -95.82800 4.72645 2.32660 -95.78828 797.92363
2970.0000 -101.54910 -96.90499 4.64411 2.29952 -96.11550 785.57540
2975.0000 -100.95641 -96.06038 4.89603 2.26139 -96.57621 786.82848
2980.0000 -99.62278 -93.74834 5.87444 2.37479 -95.20598 868.37801
2985.0000 -98.34436 -93.21384 5.13052 2.52761 -93.35943 976.19454
2990.0000 -97.05410 -92.16004 4.89406 2.57861 -92.74331 996.03184
2995.0000 -98.22115 -93.00985 5.21129 2.53140 -93.31373 967.97164
3000.0000 -97.63338 -92.41845 5.21493 2.59476 -92.54817 1037.05888
FREEZING PROCESS: loop number 13 T-loop= 881.00000000000000
main_MD> interactions number 13 at Temperature= 881.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15255 -0.96927 0.26784
force_rgl> df(natom) 2.58040 -0.15222 1.87187
3005.0000 -99.52406 -95.18949 4.33457 2.47875 -93.94982 899.23945
3010.0000 -100.01910 -94.95712 5.06198 2.38386 -95.09642 872.44152
3015.0000 -99.53945 -95.34288 4.19657 2.37639 -95.18660 850.23797
3020.0000 -99.36001 -92.89845 6.46155 2.47136 -94.03912 947.13165
3025.0000 -98.52962 -93.87313 4.65649 2.53421 -93.27980 1022.68806
3030.0000 -98.09713 -93.29368 4.80345 2.55519 -93.02628 973.78431
3035.0000 -98.34302 -93.08901 5.25401 2.54459 -93.15431 923.41691
3040.0000 -99.51930 -94.06054 5.45877 2.53507 -93.26937 996.00431
3045.0000 -98.77324 -93.62197 5.15126 2.45672 -94.21598 909.57845
3050.0000 -99.56437 -94.67846 4.88591 2.47881 -93.94919 956.85816
3055.0000 -100.65238 -95.43640 5.21598 2.41408 -94.73121 858.49152
3060.0000 -97.67826 -92.93694 4.74132 2.43642 -94.46136 870.13825
3065.0000 -99.68311 -94.02939 5.65372 2.48401 -93.88625 946.93166
3070.0000 -99.29076 -94.03912 5.25164 2.45481 -94.23911 917.15805
3075.0000 -99.07030 -94.62827 4.44204 2.51012 -93.57079 950.73309
3080.0000 -99.55922 -94.77227 4.78694 2.38587 -95.07204 867.14609
3085.0000 -100.02275 -94.78041 5.24235 2.42380 -94.61375 908.52201
3090.0000 -99.48067 -94.69785 4.78282 2.41789 -94.68526 908.60461
3095.0000 -99.94807 -95.64333 4.30474 2.36862 -95.28059 841.30879
3100.0000 -100.41334 -96.03280 4.38054 2.36884 -95.27781 857.01249
3105.0000 -99.45376 -94.88912 4.56463 2.37594 -95.19208 847.60080
3110.0000 -98.18352 -93.52846 4.65506 2.46136 -94.15996 920.44057
3115.0000 -99.62320 -94.31832 5.30488 2.40111 -94.88799 901.16311
3120.0000 -98.54169 -93.85353 4.68816 2.46539 -94.11122 959.05300
3125.0000 -99.23117 -93.67693 5.55424 2.49058 -93.80688 926.40886
3130.0000 -99.46317 -95.17979 4.28337 2.46330 -94.13647 896.32461
3135.0000 -101.02002 -95.94668 5.07335 2.36319 -95.34614 820.52693
3140.0000 -97.97760 -92.91344 5.06417 2.39259 -94.99096 868.90056
3145.0000 -99.25028 -93.83720 5.41309 2.52348 -93.40935 926.94148
3150.0000 -98.80194 -94.20035 4.60158 2.40776 -94.80764 860.18154
3155.0000 -99.15007 -94.50320 4.64687 2.39836 -94.92123 853.21125
3160.0000 -99.01402 -94.56276 4.45125 2.45385 -94.25072 930.73965
3165.0000 -99.29662 -94.71442 4.58221 2.46062 -94.16898 941.57105
3170.0000 -100.02642 -94.57462 5.45181 2.44776 -94.32429 919.02330
3175.0000 -99.20863 -95.42553 3.78310 2.36273 -95.35175 841.98957
3180.0000 -99.68370 -95.32416 4.35954 2.38328 -95.10339 876.44713
3185.0000 -98.98335 -93.91972 5.06364 2.46629 -94.10039 930.38372
3190.0000 -98.70422 -94.08751 4.61670 2.43970 -94.42167 869.98390
3195.0000 -98.32238 -93.60837 4.71402 2.54364 -93.16583 973.13439
3200.0000 -98.26164 -92.93482 5.32683 2.55147 -93.07123 975.36982
3205.0000 -98.84187 -93.14964 5.69223 2.57738 -92.75814 1000.70893
3210.0000 -98.84865 -93.80728 5.04137 2.48085 -93.92453 942.67725
3215.0000 -99.62975 -95.44710 4.18265 2.38168 -95.12267 865.02223
3220.0000 -98.30487 -94.15829 4.14659 2.39944 -94.90811 826.39079
3225.0000 -99.97012 -94.90761 5.06251 2.45301 -94.26089 916.60180
3230.0000 -99.99924 -95.37858 4.62066 2.37241 -95.23474 808.84191
3235.0000 -98.91330 -94.27584 4.63747 2.35742 -95.41581 813.40008
3240.0000 -99.94382 -95.58877 4.35504 2.45084 -94.28703 928.16868
3245.0000 -98.36141 -93.41791 4.94349 2.40688 -94.81825 902.27366
3250.0000 -98.73423 -94.90629 3.82794 2.46553 -94.10956 904.64484
FREEZING PROCESS: loop number 14 T-loop= 856.00000000000000
main_MD> interactions number 14 at Temperature= 856.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.57125 -3.37874 3.69396
force_rgl> df(natom) -1.42980 -1.90519 0.49073
3255.0000 -100.97182 -95.77092 5.20090 2.31179 -95.96722 780.75486
3260.0000 -98.80365 -93.06007 5.74359 2.45025 -94.29420 880.26384
3265.0000 -99.24526 -94.92270 4.32256 2.47358 -94.01233 958.06373
3270.0000 -99.57006 -95.47194 4.09811 2.39409 -94.97283 868.71386
3275.0000 -100.15348 -95.26735 4.88613 2.36925 -95.27286 822.82926
3280.0000 -99.26185 -94.03137 5.23049 2.40153 -94.88283 874.23586
3285.0000 -99.40029 -94.81858 4.58171 2.43991 -94.41913 928.86951
3290.0000 -98.32769 -94.35458 3.97311 2.38619 -95.06823 846.64175
3295.0000 -98.87844 -93.68679 5.19165 2.50208 -93.66794 927.32907
3300.0000 -99.34148 -94.89637 4.44511 2.47116 -94.04152 905.60940
3305.0000 -98.93208 -94.69979 4.23228 2.38801 -95.04622 842.09277
3310.0000 -99.34397 -94.46488 4.87909 2.39357 -94.97910 843.85923
3315.0000 -100.30682 -95.99468 4.31214 2.35442 -95.45211 801.18155
3320.0000 -100.23824 -95.42668 4.81156 2.30337 -96.06891 815.11823
3325.0000 -100.54336 -96.43714 4.10622 2.34105 -95.61360 813.69443
3330.0000 -100.37091 -96.05907 4.31184 2.30127 -96.09433 790.01824
3335.0000 -99.91002 -95.77707 4.13296 2.31716 -95.90233 759.86587
3340.0000 -99.32569 -93.81819 5.50749 2.44808 -94.32041 873.54160
3345.0000 -99.58321 -95.29784 4.28537 2.45026 -94.29411 882.76128
3350.0000 -100.12375 -95.56473 4.55902 2.34650 -95.54780 819.25290
3355.0000 -99.04848 -94.81849 4.22998 2.37424 -95.21265 858.32670
3360.0000 -98.96354 -93.42050 5.54304 2.47326 -94.01619 904.17211
3365.0000 -100.04197 -95.04032 5.00165 2.45720 -94.21029 935.66546
3370.0000 -100.10519 -95.88187 4.22332 2.34475 -95.56899 884.39655
3375.0000 -99.98069 -95.62442 4.35628 2.28995 -96.23103 827.64350
3380.0000 -99.54505 -95.20870 4.33635 2.36425 -95.33333 820.68197
3385.0000 -99.12101 -94.80606 4.31494 2.38110 -95.12969 812.25270
3390.0000 -100.31224 -95.34674 4.96550 2.44331 -94.37802 891.69397
3395.0000 -98.72403 -95.02752 3.69651 2.42716 -94.57317 858.03257
3400.0000 -100.24125 -95.13092 5.11033 2.32515 -95.80581 805.38921
3405.0000 -100.31586 -95.94531 4.37055 2.37247 -95.23395 839.32101
3410.0000 -100.17161 -95.00803 5.16359 2.36759 -95.29302 836.14694
3415.0000 -100.65698 -95.79466 4.86232 2.31558 -95.92143 797.91868
3420.0000 -98.53833 -94.11544 4.42290 2.38579 -95.07311 850.84818
3425.0000 -99.24941 -95.07282 4.17659 2.42145 -94.64215 860.30543
3430.0000 -98.71706 -94.01678 4.70028 2.39464 -94.96611 850.04103
3435.0000 -100.92997 -95.41659 5.51338 2.38842 -95.04128 845.49060
3440.0000 -99.80875 -95.45183 4.35692 2.39662 -94.94217 847.38007
3445.0000 -99.88113 -95.61567 4.26546 2.33883 -95.64042 832.01530
3450.0000 -98.99589 -93.96974 5.02616 2.39611 -94.94836 827.97990
3455.0000 -99.79753 -94.31794 5.47959 2.44860 -94.31411 908.94757
3460.0000 -99.57569 -93.86664 5.70905 2.46429 -94.12457 884.29839
3465.0000 -100.16422 -95.42704 4.73718 2.34599 -95.55400 837.67031
3470.0000 -99.09282 -94.47747 4.61535 2.39284 -94.98784 876.21187
3475.0000 -99.46179 -95.80577 3.65602 2.43345 -94.49721 874.53929
3480.0000 -99.15383 -94.75472 4.39911 2.35418 -95.45503 784.91894
3485.0000 -99.87842 -95.55048 4.32794 2.37830 -95.16359 840.17857
3490.0000 -100.63701 -96.30878 4.32823 2.30930 -95.99722 773.75010
3495.0000 -98.36016 -93.94957 4.41059 2.43103 -94.52649 855.75663
3500.0000 -99.48545 -94.78676 4.69870 2.46866 -94.07183 946.34339
FREEZING PROCESS: loop number 15 T-loop= 831.00000000000000
main_MD> interactions number 15 at Temperature= 831.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66975 -0.96902 -1.04280
force_rgl> df(natom) -0.10087 -1.44164 4.49986
3505.0000 -100.51310 -96.15474 4.35835 2.37160 -95.24457 855.81501
3510.0000 -100.46257 -95.43510 5.02746 2.38539 -95.07787 862.73400
3515.0000 -99.66415 -94.87798 4.78617 2.40467 -94.84495 871.36977
3520.0000 -99.03441 -94.78817 4.24624 2.42918 -94.54882 888.83783
3525.0000 -98.67705 -94.36059 4.31646 2.38351 -95.10065 849.30173
3530.0000 -100.46108 -95.12405 5.33703 2.48228 -93.90724 945.35762
3535.0000 -100.11499 -95.02320 5.09179 2.42054 -94.65321 891.57728
3540.0000 -100.99629 -96.06801 4.92828 2.29883 -96.12374 790.90318
3545.0000 -100.26681 -95.97408 4.29273 2.33990 -95.62756 842.40249
3550.0000 -99.48080 -95.54337 3.93743 2.31806 -95.89138 803.37935
3555.0000 -98.24535 -94.04207 4.20328 2.37234 -95.23556 812.57675
3560.0000 -100.61909 -95.00686 5.61222 2.43530 -94.47483 882.15851
3565.0000 -99.89983 -95.15241 4.74742 2.35008 -95.50451 810.70143
3570.0000 -99.90471 -95.41229 4.49241 2.39410 -94.97267 841.72822
3575.0000 -99.75893 -95.55744 4.20149 2.31061 -95.98146 773.95167
3580.0000 -100.55898 -95.51465 5.04433 2.33895 -95.63898 799.77468
3585.0000 -98.61450 -94.22891 4.38560 2.40329 -94.86168 886.34954
3590.0000 -98.98168 -93.37301 5.60868 2.44976 -94.30015 923.44031
3595.0000 -99.57322 -94.50435 5.06886 2.43903 -94.42980 884.82120
3600.0000 -98.57609 -93.96310 4.61298 2.50515 -93.63091 899.47958
3605.0000 -99.09427 -94.87884 4.21543 2.49257 -93.78288 958.75263
3610.0000 -98.69916 -94.65486 4.04431 2.39206 -94.99727 869.20098
3615.0000 -100.56139 -95.29708 5.26432 2.36591 -95.31324 847.77009
3620.0000 -100.09860 -95.63787 4.46073 2.32925 -95.75621 794.60548
3625.0000 -101.29461 -97.52163 3.77298 2.24120 -96.82016 730.98465
3630.0000 -99.98939 -96.53656 3.45283 2.24469 -96.77790 754.17372
3635.0000 -100.19068 -95.73130 4.45938 2.34564 -95.55819 821.54192
3640.0000 -100.04648 -95.58475 4.46173 2.34907 -95.51673 782.17721
3645.0000 -100.05887 -95.88159 4.17729 2.31947 -95.87444 796.01328
3650.0000 -100.45509 -96.63776 3.81734 2.29518 -96.16793 785.72192
3655.0000 -100.71536 -96.19873 4.51663 2.33973 -95.62963 827.90320
3660.0000 -100.59237 -96.85300 3.73938 2.29218 -96.20417 738.77273
3665.0000 -100.25103 -96.13447 4.11656 2.28118 -96.33705 765.51074
3670.0000 -99.84541 -96.18005 3.66535 2.27857 -96.36853 761.73817
3675.0000 -99.41820 -94.58323 4.83497 2.33213 -95.72138 790.22216
3680.0000 -101.63997 -96.69974 4.94023 2.36911 -95.27464 856.18180
3685.0000 -100.39907 -95.90017 4.49890 2.30428 -96.05793 780.78939
3690.0000 -100.19082 -95.46787 4.72295 2.30191 -96.08662 787.81751
3695.0000 -99.83104 -96.17636 3.65467 2.31034 -95.98472 808.31224
3700.0000 -100.87432 -96.04222 4.83209 2.29958 -96.11468 765.25862
3705.0000 -100.22733 -95.78972 4.43761 2.34804 -95.52918 811.73628
3710.0000 -100.99227 -95.76015 5.23212 2.32926 -95.75605 826.01799
3715.0000 -100.44102 -96.45188 3.98914 2.28865 -96.24678 789.29837
3720.0000 -98.54929 -94.35491 4.19439 2.36103 -95.37225 863.36516
3725.0000 -100.01451 -95.42447 4.59004 2.33997 -95.62673 794.30677
3730.0000 -101.22482 -97.54434 3.68048 2.31058 -95.98179 793.71329
3735.0000 -99.40444 -95.96182 3.44261 2.20986 -97.19878 717.45707
3740.0000 -100.15876 -95.32226 4.83650 2.34961 -95.51022 863.40713
3745.0000 -100.01639 -95.27628 4.74011 2.48285 -93.90031 914.63203
3750.0000 -100.39834 -96.33772 4.06062 2.34813 -95.52810 783.02548
FREEZING PROCESS: loop number 16 T-loop= 806.00000000000000
main_MD> interactions number 16 at Temperature= 806.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71171 -2.93549 -1.72556
force_rgl> df(natom) -2.34791 -0.66735 -1.82265
3755.0000 -99.96589 -96.88895 3.07695 2.21795 -97.10105 685.44568
3760.0000 -100.53261 -96.80624 3.72638 2.25825 -96.61408 737.36483
3765.0000 -99.44072 -94.83049 4.61023 2.35911 -95.39541 813.99433
3770.0000 -99.96613 -94.95346 5.01267 2.39218 -94.99586 835.35551
3775.0000 -99.21505 -94.82309 4.39196 2.38581 -95.07287 833.43659
3780.0000 -99.04140 -94.55906 4.48234 2.39236 -94.99371 853.24473
3785.0000 -101.68982 -97.13959 4.55023 2.28979 -96.23299 770.49021
3790.0000 -100.44256 -96.84741 3.59514 2.23734 -96.86673 742.75068
3795.0000 -101.48402 -97.22845 4.25557 2.25262 -96.68213 701.38913
3800.0000 -100.38658 -96.74014 3.64644 2.20965 -97.20128 741.45547
3805.0000 -100.76934 -96.73521 4.03413 2.23871 -96.85020 727.24270
3810.0000 -99.44344 -94.79703 4.64642 2.31949 -95.87417 811.95443
3815.0000 -99.32234 -94.51219 4.81015 2.43529 -94.47502 874.51601
3820.0000 -99.90729 -96.24928 3.65801 2.37900 -95.15511 820.79597
3825.0000 -99.25949 -95.64532 3.61417 2.33903 -95.63809 821.03492
3830.0000 -99.62440 -95.09200 4.53240 2.38671 -95.06198 880.11584
3835.0000 -99.90858 -95.74668 4.16191 2.43733 -94.45029 907.34514
3840.0000 -100.59368 -96.66548 3.92819 2.31553 -95.92196 810.36294
3845.0000 -100.32047 -96.45232 3.86814 2.30354 -96.06693 810.14075
3850.0000 -100.34161 -96.41012 3.93149 2.26321 -96.55419 747.84176
3855.0000 -100.75828 -96.74444 4.01384 2.26954 -96.47771 694.46500
3860.0000 -99.70180 -95.40979 4.29201 2.32903 -95.75893 784.78693
3865.0000 -100.24492 -95.86439 4.38053 2.33102 -95.73479 802.09033
3870.0000 -100.10487 -95.52282 4.58205 2.32801 -95.77122 794.90382
3875.0000 -100.04715 -94.74842 5.29873 2.36771 -95.29149 828.95419
3880.0000 -100.52864 -94.61336 5.91528 2.42547 -94.59359 885.77640
3885.0000 -100.30785 -95.44686 4.86099 2.36506 -95.32349 836.89637
3890.0000 -99.85322 -95.07003 4.78319 2.35710 -95.41976 841.86750
3895.0000 -99.01709 -94.42776 4.58933 2.35254 -95.47480 820.72055
3900.0000 -98.96748 -93.76536 5.20211 2.42151 -94.64146 893.48180
3905.0000 -99.75375 -95.37008 4.38367 2.44536 -94.35331 884.01025
3910.0000 -100.72033 -95.86109 4.85924 2.33398 -95.69909 786.94142
3915.0000 -99.43877 -94.46006 4.97872 2.38595 -95.07116 870.51156
3920.0000 -99.87264 -95.48366 4.38898 2.37200 -95.23970 826.96255
3925.0000 -100.24452 -95.54294 4.70158 2.35873 -95.40005 829.45208
3930.0000 -99.94895 -95.69554 4.25342 2.35255 -95.47470 820.38008
3935.0000 -100.26845 -96.21379 4.05466 2.30315 -96.07153 790.70939
3940.0000 -99.78369 -95.28756 4.49613 2.31105 -95.97612 792.23844
3945.0000 -100.54295 -96.51637 4.02658 2.35285 -95.47113 826.78435
3950.0000 -100.09718 -95.51418 4.58300 2.30855 -96.00636 799.70489
3955.0000 -100.08804 -96.76902 3.31902 2.29448 -96.17638 786.14287
3960.0000 -100.17149 -96.00124 4.17025 2.27075 -96.46306 763.14548
3965.0000 -98.95780 -94.45895 4.49885 2.38110 -95.12973 833.91037
3970.0000 -100.08509 -95.34902 4.73607 2.40375 -94.85610 837.53738
3975.0000 -100.17320 -94.22198 5.95122 2.38317 -95.10477 852.87021
3980.0000 -99.11324 -94.58351 4.52973 2.37954 -95.14858 857.34338
3985.0000 -100.05102 -95.03532 5.01569 2.40143 -94.88411 852.75306
3990.0000 -98.90294 -94.45566 4.44728 2.38262 -95.11143 850.71112
3995.0000 -101.15124 -96.84877 4.30248 2.31817 -95.89010 807.46228
4000.0000 -101.04830 -96.68856 4.35973 2.27729 -96.38408 754.74241
FREEZING PROCESS: loop number 17 T-loop= 781.00000000000000
main_MD> interactions number 17 at Temperature= 781.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57053 -2.28171 -4.45257
force_rgl> df(natom) -0.92155 -3.72107 1.51650
4005.0000 -100.67245 -96.63076 4.04168 2.26905 -96.48356 747.16596
4010.0000 -101.41339 -96.71879 4.69460 2.21713 -97.11097 727.99877
4015.0000 -101.46261 -96.64623 4.81637 2.24245 -96.80503 771.91531
4020.0000 -100.56579 -96.54874 4.01705 2.28181 -96.32949 776.26134
4025.0000 -99.18033 -95.05980 4.12053 2.33605 -95.67410 805.08284
4030.0000 -99.86416 -96.02204 3.84212 2.33530 -95.68307 813.43413
4035.0000 -100.35711 -95.99714 4.35997 2.34511 -95.56461 850.07983
4040.0000 -100.72662 -96.62182 4.10480 2.31328 -95.94914 803.84302
4045.0000 -99.93887 -95.96693 3.97194 2.27239 -96.44330 765.06427
4050.0000 -101.22320 -97.71182 3.51138 2.23736 -96.86657 713.06609
4055.0000 -101.81986 -97.72793 4.09193 2.14426 -97.99142 664.35248
4060.0000 -101.40503 -97.83538 3.56965 2.19655 -97.35955 693.36288
4065.0000 -101.62268 -96.86501 4.75767 2.22985 -96.95722 747.10620
4070.0000 -100.57973 -96.57122 4.00851 2.25399 -96.66554 724.81919
4075.0000 -100.35586 -96.15577 4.20009 2.30019 -96.10735 791.70587
4080.0000 -100.67223 -96.19079 4.48144 2.28161 -96.33186 747.54335
4085.0000 -99.52944 -94.59733 4.93211 2.38700 -95.05845 845.61700
4090.0000 -99.41512 -94.61257 4.80256 2.43805 -94.44162 863.04826
4095.0000 -98.95356 -94.29145 4.66211 2.39027 -95.01889 861.21730
4100.0000 -99.94162 -95.98019 3.96143 2.37781 -95.16954 816.96911
4105.0000 -99.68821 -95.94016 3.74806 2.37768 -95.17110 806.90025
4110.0000 -99.01022 -95.17114 3.83908 2.35480 -95.44748 796.82468
4115.0000 -99.06554 -94.26298 4.80256 2.43141 -94.52185 899.20989
4120.0000 -98.56831 -94.12016 4.44815 2.45939 -94.18372 906.33249
4125.0000 -100.35112 -95.65026 4.70087 2.35785 -95.41061 756.83138
4130.0000 -100.06298 -95.71808 4.34490 2.32319 -95.82941 780.64511
4135.0000 -99.90744 -95.43561 4.47184 2.34211 -95.60081 823.91791
4140.0000 -99.75715 -96.07335 3.68381 2.32338 -95.82719 801.15485
4145.0000 -100.72774 -97.05044 3.67730 2.24769 -96.74176 747.15847
4150.0000 -100.94445 -96.99862 3.94583 2.21116 -97.18304 735.09509
4155.0000 -100.38982 -95.96375 4.42607 2.26365 -96.54890 773.46455
4160.0000 -100.25832 -96.06248 4.19584 2.27375 -96.42684 786.02091
4165.0000 -100.30315 -96.60484 3.69831 2.28262 -96.31963 752.01511
4170.0000 -100.42126 -96.43260 3.98866 2.31404 -95.94002 789.49311
4175.0000 -99.50182 -94.80316 4.69865 2.32553 -95.80120 806.59727
4180.0000 -99.75255 -95.15640 4.59615 2.42588 -94.58868 868.69605
4185.0000 -101.43021 -97.07891 4.35131 2.30792 -96.01390 777.84605
4190.0000 -100.24724 -96.18251 4.06473 2.29249 -96.20036 795.03362
4195.0000 -99.86867 -95.91207 3.95659 2.31954 -95.87352 768.34519
4200.0000 -100.81646 -96.30055 4.51591 2.32162 -95.84838 771.56207
4205.0000 -99.84041 -95.67514 4.16527 2.36710 -95.29890 848.34423
4210.0000 -99.96081 -95.73422 4.22659 2.35656 -95.42621 822.07867
4215.0000 -98.37095 -94.19819 4.17276 2.40432 -94.84915 858.28222
4220.0000 -99.12254 -94.63103 4.49151 2.46231 -94.14845 906.97611
4225.0000 -98.86512 -95.21275 3.65236 2.44153 -94.39961 853.29773
4230.0000 -101.08941 -96.12564 4.96377 2.33675 -95.66566 808.81979
4235.0000 -100.81803 -96.66336 4.15467 2.25571 -96.64476 762.97899
4240.0000 -100.97522 -96.92381 4.05141 2.23014 -96.95375 738.05671
4245.0000 -101.45848 -97.54495 3.91353 2.20120 -97.30343 725.25700
4250.0000 -100.45255 -96.97692 3.47564 2.20270 -97.28536 689.95707
FREEZING PROCESS: loop number 18 T-loop= 756.00000000000000
main_MD> interactions number 18 at Temperature= 756.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.50627 2.09127 1.00356
force_rgl> df(natom) -0.24702 0.39364 -2.81756
4255.0000 -100.72713 -96.57345 4.15368 2.24265 -96.80264 760.22798
4260.0000 -101.33112 -96.46068 4.87043 2.29043 -96.22523 769.61353
4265.0000 -100.87192 -96.34956 4.52236 2.30552 -96.04295 767.39479
4270.0000 -100.49499 -96.18856 4.30643 2.29425 -96.17909 752.84722
4275.0000 -101.76907 -97.30460 4.46447 2.29898 -96.12200 773.74525
4280.0000 -100.81484 -96.81972 3.99512 2.25302 -96.67728 753.20754
4285.0000 -100.98814 -96.61809 4.37005 2.28380 -96.30542 733.71820
4290.0000 -101.23356 -96.58600 4.64756 2.26441 -96.53963 761.07999
4295.0000 -100.27770 -95.52037 4.75733 2.29033 -96.22655 790.31252
4300.0000 -101.03167 -96.53079 4.50088 2.30468 -96.05314 788.19064
4305.0000 -99.58095 -95.97935 3.60161 2.29146 -96.21283 719.03838
4310.0000 -99.90824 -95.71748 4.19076 2.28780 -96.25706 758.24760
4315.0000 -101.22799 -96.17160 5.05639 2.34682 -95.54393 869.05223
4320.0000 -100.22090 -96.33336 3.88754 2.31100 -95.97673 828.85913
4325.0000 -101.65730 -97.57422 4.08308 2.22917 -96.96542 719.46755
4330.0000 -100.56884 -96.79415 3.77468 2.20344 -97.27631 691.18753
4335.0000 -101.19128 -97.76002 3.43127 2.21846 -97.09488 718.88091
4340.0000 -100.87403 -97.43855 3.43548 2.17596 -97.60842 692.06650
4345.0000 -101.14191 -98.02051 3.12140 2.15110 -97.90881 680.41490
4350.0000 -102.11710 -97.84698 4.27012 2.10968 -98.40921 649.83421
4355.0000 -101.61301 -97.93133 3.68168 2.13087 -98.15317 656.67548
4360.0000 -99.99847 -96.51212 3.48636 2.26360 -96.54945 766.27666
4365.0000 -100.04620 -95.94939 4.09681 2.28902 -96.24235 752.40286
4370.0000 -99.84545 -95.24543 4.60002 2.39759 -94.93049 866.40677
4375.0000 -99.63167 -95.83761 3.79406 2.33596 -95.67514 817.25513
4380.0000 -99.60015 -95.36405 4.23610 2.36531 -95.32055 842.32562
4385.0000 -100.24388 -95.86749 4.37639 2.31046 -95.98332 808.09799
4390.0000 -100.63040 -96.81974 3.81066 2.28780 -96.25702 787.99190
4395.0000 -100.90573 -97.31270 3.59304 2.21967 -97.08020 695.69516
4400.0000 -101.19195 -97.75674 3.43521 2.18082 -97.54967 696.36169
4405.0000 -100.45276 -95.97666 4.47610 2.22681 -96.99400 722.62716
4410.0000 -100.30790 -95.56178 4.74613 2.32513 -95.80596 788.97384
4415.0000 -99.04502 -95.18087 3.86415 2.37907 -95.15427 816.18032
4420.0000 -99.51392 -95.43040 4.08352 2.35737 -95.41652 808.40671
4425.0000 -100.03476 -96.00477 4.02999 2.31549 -95.92251 772.97727
4430.0000 -100.63074 -95.82637 4.80437 2.29703 -96.14559 753.32726
4435.0000 -100.52710 -96.19109 4.33601 2.30995 -95.98942 799.50160
4440.0000 -100.00831 -96.17436 3.83395 2.29237 -96.20178 797.83357
4445.0000 -100.73281 -96.76839 3.96442 2.26466 -96.53669 729.72169
4450.0000 -101.68988 -98.17066 3.51922 2.23540 -96.89018 755.99417
4455.0000 -100.99616 -97.00324 3.99292 2.21201 -97.17279 741.10521
4460.0000 -100.95930 -97.09860 3.86070 2.24572 -96.76551 740.70840
4465.0000 -100.01156 -96.13291 3.87865 2.22794 -96.98033 726.97252
4470.0000 -100.84759 -96.67363 4.17397 2.20819 -97.21896 715.60947
4475.0000 -101.18895 -96.80248 4.38647 2.20747 -97.22771 708.56857
4480.0000 -100.42076 -96.09545 4.32531 2.25590 -96.64251 743.40380
4485.0000 -100.95496 -96.27844 4.67652 2.26076 -96.58379 742.88481
4490.0000 -100.80897 -96.35287 4.45610 2.27742 -96.38248 748.91127
4495.0000 -101.62418 -97.89605 3.72812 2.18463 -97.50365 705.92077
4500.0000 -100.80971 -96.66836 4.14135 2.21499 -97.13681 742.86193
FREEZING PROCESS: loop number 19 T-loop= 731.00000000000000
main_MD> interactions number 19 at Temperature= 731.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.05075 -0.60614 -0.64963
force_rgl> df(natom) 2.02980 -1.17083 0.92056
4505.0000 -100.68876 -95.86946 4.81930 2.26434 -96.54052 766.84042
4510.0000 -100.09237 -95.93818 4.15419 2.29844 -96.12846 769.93456
4515.0000 -101.79966 -97.94554 3.85412 2.26245 -96.56339 763.18678
4520.0000 -101.04741 -98.32640 2.72101 2.15988 -97.80266 653.97539
4525.0000 -101.28726 -96.60973 4.67753 2.18008 -97.55867 712.91828
4530.0000 -101.10402 -97.18670 3.91732 2.24530 -96.77060 732.46732
4535.0000 -101.54059 -97.38075 4.15984 2.20202 -97.29357 714.45823
4540.0000 -101.79458 -97.30323 4.49135 2.21733 -97.10850 700.16389
4545.0000 -101.94082 -98.60325 3.33758 2.16753 -97.71020 697.71822
4550.0000 -101.39023 -96.82510 4.56514 2.15152 -97.90367 672.69303
4555.0000 -100.10889 -96.10738 4.00152 2.30262 -96.07802 800.07480
4560.0000 -100.39448 -96.69944 3.69504 2.26958 -96.47716 755.02488
4565.0000 -100.92013 -96.36964 4.55049 2.24765 -96.74215 744.53814
4570.0000 -100.00544 -95.75739 4.24806 2.26053 -96.58650 750.72316
4575.0000 -100.82143 -96.44733 4.37410 2.30426 -96.05818 784.24741
4580.0000 -101.02480 -96.56727 4.45752 2.26628 -96.51711 773.47404
4585.0000 -101.02101 -97.60786 3.41315 2.26242 -96.56370 764.50303
4590.0000 -100.89247 -96.58000 4.31248 2.22916 -96.96564 739.81257
4595.0000 -101.83279 -97.77271 4.06008 2.23303 -96.91883 717.97979
4600.0000 -102.11783 -98.37201 3.74581 2.14469 -97.98622 687.93636
4605.0000 -101.36333 -97.57989 3.78344 2.15312 -97.88432 675.61807
4610.0000 -100.82637 -96.50948 4.31689 2.20769 -97.22505 741.04764
4615.0000 -101.97485 -97.79467 4.18018 2.19665 -97.35837 732.50423
4620.0000 -101.93577 -97.57007 4.36570 2.14099 -98.03093 674.83791
4625.0000 -100.32142 -96.06246 4.25896 2.23571 -96.88645 733.12398
4630.0000 -100.65588 -95.78240 4.87348 2.27223 -96.44516 759.17482
4635.0000 -100.07745 -95.98192 4.09554 2.35155 -95.48673 818.33797
4640.0000 -99.12325 -94.52629 4.59696 2.33590 -95.67585 803.61672
4645.0000 -100.36865 -95.85796 4.51069 2.36592 -95.31321 807.02702
4650.0000 -100.54776 -96.97174 3.57603 2.29619 -96.15563 747.48009
4655.0000 -100.13732 -96.22353 3.91379 2.24943 -96.72068 730.27544
4660.0000 -100.87343 -97.16255 3.71088 2.27029 -96.46862 776.36673
4665.0000 -101.21679 -97.34073 3.87605 2.23204 -96.93082 734.43836
4670.0000 -99.78255 -96.03711 3.74543 2.24965 -96.71802 754.44402
4675.0000 -101.45366 -97.64928 3.80438 2.24905 -96.72530 742.70022
4680.0000 -100.69465 -97.34713 3.34752 2.18144 -97.54217 687.10367
4685.0000 -101.17426 -97.01195 4.16231 2.25869 -96.60878 759.13746
4690.0000 -101.57502 -97.09228 4.48274 2.24020 -96.83214 736.03358
4695.0000 -101.20828 -98.13413 3.07415 2.16884 -97.69439 669.46236
4700.0000 -102.64410 -99.53343 3.11067 2.08028 -98.76443 596.54984
4705.0000 -101.00698 -97.44740 3.55958 2.13275 -98.13047 652.71330
4710.0000 -101.01222 -96.70721 4.30501 2.30100 -96.09761 768.10932
4715.0000 -100.33624 -95.94134 4.39490 2.26963 -96.47661 760.86715
4720.0000 -102.14443 -97.53787 4.60656 2.23460 -96.89990 725.48635
4725.0000 -100.18684 -96.33254 3.85430 2.23715 -96.86900 750.50355
4730.0000 -101.16464 -97.06440 4.10024 2.27765 -96.37969 753.47905
4735.0000 -101.60600 -96.87923 4.72677 2.20347 -97.27595 680.89740
4740.0000 -99.92718 -96.60811 3.31907 2.21947 -97.08262 719.88459
4745.0000 -101.19298 -97.02844 4.16454 2.24156 -96.81575 723.59918
4750.0000 -101.20916 -96.91633 4.29283 2.25015 -96.71192 726.14292
FREEZING PROCESS: loop number 20 T-loop= 706.00000000000000
main_MD> interactions number 20 at Temperature= 706.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.15337 0.82686 -3.20098
force_rgl> df(natom) -1.04863 -0.73344 1.86212
4755.0000 -101.05124 -96.82679 4.22445 2.23151 -96.93723 734.77125
4760.0000 -100.64872 -96.88484 3.76388 2.20668 -97.23725 718.29995
4765.0000 -101.38090 -97.49395 3.88695 2.20800 -97.22128 696.21536
4770.0000 -100.98235 -96.96709 4.01526 2.24804 -96.73746 764.24357
4775.0000 -101.17804 -97.34975 3.82829 2.25008 -96.71286 727.40647
4780.0000 -100.29272 -96.47131 3.82141 2.23405 -96.90657 710.48748
4785.0000 -101.59580 -98.00989 3.58590 2.21424 -97.14581 696.66027
4790.0000 -101.07072 -96.84665 4.22407 2.20539 -97.25284 743.48583
4795.0000 -101.65078 -96.95782 4.69295 2.19993 -97.31880 731.40466
4800.0000 -102.39398 -98.66701 3.72697 2.14290 -98.00780 666.22160
4805.0000 -102.70787 -98.17929 4.52858 2.13292 -98.12849 657.73238
4810.0000 -100.17320 -97.01444 3.15876 2.20956 -97.20242 680.98129
4815.0000 -101.21139 -97.57014 3.64125 2.17635 -97.60363 656.48539
4820.0000 -102.06990 -98.10311 3.96679 2.14287 -98.00823 654.46380
4825.0000 -102.09212 -98.06977 4.02235 2.12572 -98.21540 637.63750
4830.0000 -100.71608 -97.74848 2.96761 2.12696 -98.20051 615.50709
4835.0000 -101.95148 -98.06498 3.88650 2.12696 -98.20044 644.04521
4840.0000 -100.52341 -96.52488 3.99853 2.15856 -97.81866 698.96121
4845.0000 -100.66792 -96.87194 3.79598 2.24943 -96.72067 722.98299
4850.0000 -100.85312 -97.08112 3.77200 2.24473 -96.77744 747.58181
4855.0000 -100.80815 -96.65235 4.15580 2.18721 -97.47240 692.80996
4860.0000 -100.55833 -96.92663 3.63170 2.24945 -96.72041 761.31705
4865.0000 -100.91779 -96.68817 4.22962 2.23325 -96.91613 736.03315
4870.0000 -100.46543 -96.76034 3.70509 2.25192 -96.69062 731.73235
4875.0000 -100.48469 -97.87098 2.61371 2.16873 -97.69578 650.38223
4880.0000 -101.66700 -98.53552 3.13148 2.12954 -98.16933 650.49591
4885.0000 -101.75658 -98.39938 3.35721 2.10786 -98.43119 646.80532
4890.0000 -101.84272 -97.90303 3.93970 2.13070 -98.15525 644.18175
4895.0000 -102.26994 -98.23903 4.03090 2.09844 -98.54508 656.00962
4900.0000 -102.29425 -98.87527 3.41898 2.08295 -98.73217 629.67729
4905.0000 -102.00092 -97.78263 4.21829 2.13722 -98.07650 647.73578
4910.0000 -101.90491 -97.61823 4.28668 2.17957 -97.56472 678.39753
4915.0000 -100.89948 -96.92733 3.97215 2.22976 -96.95838 757.21645
4920.0000 -100.94218 -97.19860 3.74357 2.26015 -96.59116 778.87387
4925.0000 -101.73785 -97.88383 3.85402 2.18008 -97.55865 691.45604
4930.0000 -101.58445 -97.79462 3.78983 2.13753 -98.07270 671.21521
4935.0000 -102.12499 -98.50633 3.61867 2.15584 -97.85150 705.00977
4940.0000 -101.42089 -98.00266 3.41823 2.13877 -98.05781 697.34769
4945.0000 -101.37401 -98.14238 3.23162 2.10372 -98.48122 664.29704
4950.0000 -101.68379 -97.78040 3.90338 2.15252 -97.89158 654.44780
4955.0000 -100.30724 -96.43102 3.87622 2.22634 -96.99964 739.11980
4960.0000 -101.27984 -96.81223 4.46761 2.24770 -96.74160 764.20453
4965.0000 -102.03567 -98.07276 3.96292 2.14531 -97.97873 684.80037
4970.0000 -101.18061 -96.76834 4.41226 2.16139 -97.78438 678.88252
4975.0000 -100.68059 -96.12523 4.55536 2.25061 -96.70641 720.89504
4980.0000 -101.52076 -97.39424 4.12652 2.27349 -96.43002 730.02828
4985.0000 -101.19361 -97.21398 3.97963 2.15506 -97.86097 677.21995
4990.0000 -100.82668 -97.27582 3.55086 2.20737 -97.22886 722.71573
4995.0000 -101.50798 -98.24241 3.26557 2.15979 -97.80376 692.58237
5000.0000 -100.84069 -97.00115 3.83954 2.18840 -97.45809 715.65319
FREEZING PROCESS: loop number 21 T-loop= 681.00000000000000
main_MD> interactions number 21 at Temperature= 681.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24099 -1.17005 -1.98350
force_rgl> df(natom) 0.88701 1.21356 -2.44622
5005.0000 -102.46333 -99.02569 3.43764 2.13153 -98.14518 662.96555
5010.0000 -101.21561 -97.01473 4.20088 2.14958 -97.92710 680.35951
5015.0000 -101.87954 -98.05003 3.82951 2.20750 -97.22730 736.67615
5020.0000 -101.53126 -97.10969 4.42157 2.16090 -97.79036 667.78999
5025.0000 -101.84631 -98.14547 3.70084 2.17205 -97.65568 688.41284
5030.0000 -103.04680 -99.17537 3.87143 2.05842 -99.02855 601.13886
5035.0000 -101.62703 -98.13994 3.48709 2.11148 -98.38746 678.83357
5040.0000 -101.89128 -98.71730 3.17398 2.11287 -98.37072 664.72510
5045.0000 -101.59655 -98.89571 2.70084 2.10215 -98.50028 637.17495
5050.0000 -101.22717 -98.09425 3.13292 2.11986 -98.28623 622.79585
5055.0000 -102.13996 -97.96531 4.17465 2.13056 -98.15697 665.06437
5060.0000 -102.13409 -98.49890 3.63519 2.13545 -98.09781 661.58849
5065.0000 -101.94949 -98.01265 3.93685 2.11533 -98.34095 624.72722
5070.0000 -102.28675 -98.95893 3.32782 2.07978 -98.77050 597.68863
5075.0000 -101.05594 -96.75235 4.30360 2.19263 -97.40693 717.07859
5080.0000 -100.76183 -97.67674 3.08509 2.19554 -97.37178 682.34867
5085.0000 -101.29165 -97.46804 3.82361 2.16332 -97.76112 669.69814
5090.0000 -101.78800 -97.55057 4.23742 2.17458 -97.62507 694.79411
5095.0000 -101.76640 -98.40448 3.36192 2.10541 -98.46083 626.67745
5100.0000 -101.70525 -98.44011 3.26514 2.14313 -98.00506 639.03200
5105.0000 -101.26141 -97.87738 3.38403 2.15853 -97.81904 663.43967
5110.0000 -102.02115 -98.27402 3.74713 2.13026 -98.16056 663.65071
5115.0000 -100.66044 -97.83855 2.82189 2.15181 -97.90015 656.25370
5120.0000 -101.65448 -98.15370 3.50078 2.09562 -98.57908 630.74192
5125.0000 -102.56347 -99.18965 3.37382 2.10285 -98.49178 656.61385
5130.0000 -101.98833 -99.18931 2.79902 2.03507 -99.31069 565.36192
5135.0000 -100.75351 -97.37938 3.37413 2.15336 -97.88151 668.35739
5140.0000 -101.07600 -97.29228 3.78372 2.15739 -97.83273 678.71466
5145.0000 -101.11426 -97.26805 3.84621 2.19328 -97.39917 688.65265
5150.0000 -101.53711 -97.78118 3.75592 2.17484 -97.62189 678.11358
5155.0000 -102.24542 -98.16538 4.08004 2.15157 -97.90307 678.58941
5160.0000 -101.80917 -98.36585 3.44332 2.15659 -97.84240 657.04390
5165.0000 -101.83175 -98.05801 3.77374 2.13333 -98.12351 647.38861
5170.0000 -102.12538 -97.14708 4.97830 2.13080 -98.15408 662.57786
5175.0000 -101.60609 -98.00329 3.60280 2.15155 -97.90335 704.25731
5180.0000 -100.28279 -95.98360 4.29919 2.23121 -96.94087 740.36503
5185.0000 -100.78034 -96.53004 4.25030 2.30017 -96.10764 793.83137
5190.0000 -100.77401 -96.85498 3.91903 2.24472 -96.77763 706.48618
5195.0000 -100.16980 -97.20400 2.96580 2.22044 -97.07093 703.08953
5200.0000 -101.44396 -97.52272 3.92124 2.17420 -97.62963 667.03106
5205.0000 -101.49817 -97.98957 3.50860 2.19846 -97.33655 680.08657
5210.0000 -100.69519 -96.77843 3.91676 2.21107 -97.18422 700.50431
5215.0000 -101.82736 -97.72458 4.10278 2.17625 -97.60494 679.37413
5220.0000 -101.58675 -98.27002 3.31673 2.17086 -97.67005 683.53604
5225.0000 -101.21941 -97.76416 3.45525 2.15408 -97.87275 626.41446
5230.0000 -101.06805 -97.67686 3.39119 2.14513 -97.98090 619.03636
5235.0000 -102.33408 -98.61316 3.72092 2.09543 -98.58142 630.92820
5240.0000 -101.90317 -98.36588 3.53729 2.11940 -98.29181 628.34259
5245.0000 -101.72462 -98.60554 3.11908 2.12521 -98.22162 662.12196
5250.0000 -102.19811 -98.67428 3.52383 2.08901 -98.65896 630.27295
FREEZING PROCESS: loop number 22 T-loop= 656.00000000000000
main_MD> interactions number 22 at Temperature= 656.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57955 1.78792 -0.16435
force_rgl> df(natom) -1.68627 -1.54404 1.04607
5255.0000 -101.82182 -98.98463 2.83719 2.08321 -98.72904 602.82541
5260.0000 -102.56704 -99.42577 3.14127 2.07255 -98.85789 618.48464
5265.0000 -101.73374 -98.04967 3.68407 2.12757 -98.19306 623.59090
5270.0000 -102.30191 -98.82426 3.47765 2.09017 -98.64503 607.57382
5275.0000 -102.48397 -99.32992 3.15405 2.05768 -99.03749 583.58600
5280.0000 -101.78506 -99.03152 2.75354 2.04020 -99.24870 587.39105
5285.0000 -102.54095 -99.55949 2.98147 2.08770 -98.67480 592.55399
5290.0000 -102.14863 -98.80517 3.34346 2.04347 -99.20928 557.90165
5295.0000 -101.31231 -98.55552 2.75679 2.16296 -97.76551 678.12085
5300.0000 -101.79392 -98.24805 3.54587 2.08013 -98.76630 621.68961
5305.0000 -102.24006 -98.08020 4.15987 2.14668 -97.96214 662.02018
5310.0000 -102.11734 -98.59864 3.51870 2.15047 -97.91637 656.57221
5315.0000 -101.51075 -98.38783 3.12292 2.12369 -98.23999 644.10964
5320.0000 -102.90164 -99.28261 3.61903 2.09357 -98.60386 596.19550
5325.0000 -102.57903 -98.83974 3.73929 2.05029 -99.12681 567.33523
5330.0000 -103.03740 -98.92375 4.11364 2.09170 -98.62650 622.96316
5335.0000 -101.18288 -98.03121 3.15167 2.12677 -98.20272 687.67393
5340.0000 -102.83107 -98.98353 3.84754 2.10251 -98.49587 647.22028
5345.0000 -102.33926 -99.09224 3.24702 2.02095 -99.48132 574.95499
5350.0000 -101.35438 -98.25994 3.09443 2.10774 -98.43271 618.29169
5355.0000 -102.26266 -99.02973 3.23293 2.08097 -98.75611 603.65547
5360.0000 -100.78790 -97.63448 3.15343 2.09832 -98.54647 617.59119
5365.0000 -101.08455 -97.56967 3.51488 2.16599 -97.72880 680.09575
5370.0000 -101.09459 -97.54870 3.54589 2.21197 -97.17327 668.00762
5375.0000 -102.33002 -98.17112 4.15889 2.11469 -98.34867 642.98648
5380.0000 -101.19312 -97.27615 3.91697 2.09010 -98.64576 632.94599
5385.0000 -101.29890 -96.94669 4.35221 2.19381 -97.39267 709.81997
5390.0000 -100.11332 -95.60700 4.50632 2.27340 -96.43106 757.54374
5395.0000 -101.20273 -97.84537 3.35736 2.23647 -96.87723 753.84466
5400.0000 -100.22025 -96.06446 4.15579 2.24227 -96.80722 723.59057
5405.0000 -99.74219 -95.77548 3.96672 2.28417 -96.30089 762.97406
5410.0000 -101.70075 -97.69930 4.00146 2.28757 -96.25986 771.67370
5415.0000 -100.82781 -97.24876 3.57906 2.16745 -97.71124 681.36238
5420.0000 -101.54934 -98.32886 3.22048 2.19067 -97.43069 697.40489
5425.0000 -101.42667 -98.15920 3.26747 2.10112 -98.51266 607.09481
5430.0000 -101.14839 -97.23482 3.91357 2.19769 -97.34585 720.15383
5435.0000 -100.91376 -97.57668 3.33708 2.20693 -97.23414 716.54146
5440.0000 -101.39478 -98.20428 3.19050 2.16895 -97.69308 692.62119
5445.0000 -101.29379 -97.41852 3.87527 2.15065 -97.91415 699.11778
5450.0000 -101.10260 -97.73773 3.36487 2.12389 -98.23758 644.15900
5455.0000 -101.82690 -98.25148 3.57542 2.13990 -98.04414 656.17688
5460.0000 -102.76363 -99.17578 3.58785 2.04612 -99.17728 573.93867
5465.0000 -102.37691 -99.10008 3.27683 2.04293 -99.21581 586.67139
5470.0000 -102.28167 -99.37650 2.90517 2.06677 -98.92773 604.13367
5475.0000 -102.11635 -98.74558 3.37077 2.08529 -98.70388 613.07112
5480.0000 -102.09229 -98.79240 3.29989 2.09698 -98.56267 648.04949
5485.0000 -102.45019 -99.47459 2.97560 2.06833 -98.90886 609.47015
5490.0000 -102.37049 -99.35522 3.01526 2.03672 -99.29076 568.96072
5495.0000 -102.21520 -99.09403 3.12117 2.06800 -98.91287 610.35893
5500.0000 -101.43001 -97.41522 4.01478 2.09941 -98.53335 647.41648
FREEZING PROCESS: loop number 23 T-loop= 631.00000000000000
main_MD> interactions number 23 at Temperature= 631.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.22150 0.63585 0.55433
force_rgl> df(natom) 8.56671 4.32763 4.90157
5505.0000 -101.65910 -97.05218 4.60693 2.21302 -97.16057 731.04543
5510.0000 -101.09377 -97.27517 3.81860 2.23593 -96.88381 743.32085
5515.0000 -101.62789 -97.66019 3.96770 2.16116 -97.78716 690.57045
5520.0000 -102.02030 -99.04017 2.98013 2.10369 -98.48159 655.31440
5525.0000 -101.73492 -98.26864 3.46629 2.10907 -98.41663 655.52628
5530.0000 -102.70345 -98.98566 3.71779 2.11230 -98.37753 653.20067
5535.0000 -102.05336 -98.56073 3.49262 2.11379 -98.35964 660.20086
5540.0000 -101.92271 -98.05273 3.86998 2.13265 -98.13170 645.44452
5545.0000 -101.95384 -98.55872 3.39512 2.13986 -98.04463 675.82969
5550.0000 -101.51157 -98.05678 3.45479 2.10992 -98.40640 635.89984
5555.0000 -101.78893 -98.26073 3.52820 2.09384 -98.60069 642.32269
5560.0000 -101.52390 -97.93245 3.59144 2.12979 -98.16627 666.01209
5565.0000 -101.68305 -98.31191 3.37114 2.17179 -97.65879 689.17363
5570.0000 -101.75517 -98.49250 3.26267 2.07168 -98.86834 629.95133
5575.0000 -100.35945 -97.06213 3.29732 2.15910 -97.81210 657.01954
5580.0000 -102.17281 -97.88846 4.28435 2.21456 -97.14204 701.59994
5585.0000 -101.62336 -98.19508 3.42828 2.15134 -97.90590 663.11527
5590.0000 -101.91374 -98.11434 3.79940 2.15073 -97.91326 652.08183
5595.0000 -101.88170 -98.25699 3.62471 2.07202 -98.86422 609.45956
5600.0000 -101.68330 -98.17792 3.50538 2.10409 -98.47681 648.12458
5605.0000 -102.27762 -99.07133 3.20629 2.08431 -98.71575 607.70749
5610.0000 -102.21944 -99.17121 3.04824 2.07721 -98.80156 613.40097
5615.0000 -102.62224 -98.57321 4.04903 2.08047 -98.76223 607.96754
5620.0000 -102.08736 -98.21696 3.87040 2.10662 -98.44620 613.06430
5625.0000 -101.41803 -98.25126 3.16677 2.08747 -98.67764 635.90737
5630.0000 -101.78899 -97.98077 3.80821 2.12776 -98.19073 675.49552
5635.0000 -101.76651 -98.73419 3.03232 2.15609 -97.84851 690.69153
5640.0000 -102.06749 -98.41823 3.64925 2.09621 -98.57202 628.17007
5645.0000 -102.11601 -98.99554 3.12047 2.06171 -98.98886 586.14267
5650.0000 -102.35864 -98.98105 3.37758 2.08001 -98.76770 623.01170
5655.0000 -102.32656 -98.49872 3.82784 2.08785 -98.67304 653.52902
5660.0000 -102.16658 -97.66888 4.49769 2.11522 -98.34227 654.68689
5665.0000 -101.72703 -98.67280 3.05423 2.12679 -98.20249 683.95188
5670.0000 -101.57576 -98.26295 3.31281 2.11462 -98.34956 655.61948
5675.0000 -102.09132 -98.03583 4.05549 2.09060 -98.63979 596.81602
5680.0000 -101.13777 -97.82343 3.31435 2.13697 -98.07944 670.10470
5685.0000 -101.67056 -97.86882 3.80173 2.09599 -98.57466 620.29904
5690.0000 -101.95049 -98.37749 3.57299 2.16775 -97.70760 693.00795
5695.0000 -101.50175 -98.21274 3.28901 2.04793 -99.15530 596.78307
5700.0000 -101.44345 -98.25715 3.18630 2.12439 -98.23153 650.84378
5705.0000 -101.99901 -98.92545 3.07356 2.09505 -98.58603 646.64830
5710.0000 -102.66193 -99.44577 3.21616 2.05710 -99.04454 618.26150
5715.0000 -102.05494 -98.27238 3.78256 2.05761 -99.03834 578.10450
5720.0000 -101.58240 -98.57542 3.00698 2.11567 -98.33680 619.44813
5725.0000 -102.88611 -99.56093 3.32517 2.05571 -99.06130 575.11501
5730.0000 -102.11741 -98.25151 3.86589 2.04900 -99.14238 588.79219
5735.0000 -102.61960 -98.98406 3.63554 2.07705 -98.80345 574.93972
5740.0000 -102.91906 -99.01657 3.90250 2.03337 -99.33128 587.14820
5745.0000 -101.71015 -99.03961 2.67054 2.05990 -99.01070 583.78382
5750.0000 -101.06414 -97.86175 3.20239 2.11799 -98.30881 612.54966
FREEZING PROCESS: loop number 24 T-loop= 606.00000000000000
main_MD> interactions number 24 at Temperature= 606.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71270 0.36268 -2.06289
force_rgl> df(natom) -0.42421 0.72388 -0.66658
5755.0000 -102.17876 -99.40974 2.76902 2.08925 -98.65609 625.77112
5760.0000 -102.06684 -98.88028 3.18656 2.04184 -99.22892 557.23465
5765.0000 -102.25903 -99.01865 3.24038 2.07175 -98.86751 593.37514
5770.0000 -102.03924 -98.57614 3.46310 2.05647 -99.05211 625.91777
5775.0000 -102.64506 -99.55774 3.08733 2.03578 -99.30212 572.50496
5780.0000 -102.99771 -99.70743 3.29028 2.01221 -99.58699 549.89736
5785.0000 -102.92312 -100.47681 2.44631 1.97931 -99.98442 524.03261
5790.0000 -103.10585 -99.48990 3.61594 1.95676 -100.25691 521.49128
5795.0000 -101.96738 -99.78763 2.17974 2.00342 -99.69321 558.57689
5800.0000 -102.17240 -99.35975 2.81265 2.01429 -99.56185 560.78996
5805.0000 -101.43420 -98.30151 3.13269 2.05804 -99.03322 576.06803
5810.0000 -102.32072 -99.37141 2.94931 2.07136 -98.87226 568.24568
5815.0000 -101.94695 -98.60209 3.34485 2.03921 -99.26071 558.89432
5820.0000 -102.42161 -99.41982 3.00179 2.02822 -99.39350 552.08362
5825.0000 -101.83424 -98.63195 3.20229 2.02675 -99.41123 568.30471
5830.0000 -102.26417 -99.33290 2.93127 2.04942 -99.13739 591.19560
5835.0000 -101.55606 -98.40068 3.15538 2.08920 -98.65674 605.79559
5840.0000 -101.45036 -97.57360 3.87676 2.21381 -97.15107 732.66558
5845.0000 -100.92413 -97.23584 3.68829 2.16388 -97.75432 695.23338
5850.0000 -101.92135 -98.25573 3.66562 2.18103 -97.54708 700.58209
5855.0000 -102.14554 -98.76548 3.38006 2.08618 -98.69322 639.80713
5860.0000 -102.32800 -99.09946 3.22854 2.07382 -98.84248 653.02829
5865.0000 -102.07388 -98.78506 3.28882 2.05323 -99.09135 609.00540
5870.0000 -102.03154 -99.41241 2.61913 2.06103 -98.99711 594.07398
5875.0000 -102.17997 -99.01517 3.16480 2.05459 -99.07485 565.44053
5880.0000 -101.54649 -98.28190 3.26459 2.08117 -98.75367 597.66023
5885.0000 -101.67402 -98.60641 3.06761 2.09692 -98.56336 631.09084
5890.0000 -102.61625 -99.92760 2.68865 2.02945 -99.37869 568.29923
5895.0000 -102.09652 -98.49763 3.59889 2.06640 -98.93219 606.35736
5900.0000 -102.34048 -98.99435 3.34613 2.07901 -98.77977 605.16661
5905.0000 -102.87035 -99.69873 3.17162 2.02609 -99.41929 552.31063
5910.0000 -102.67742 -99.08016 3.59726 2.05473 -99.07314 567.36790
5915.0000 -101.76496 -98.49355 3.27141 2.07985 -98.76963 590.79371
5920.0000 -101.47156 -98.47093 3.00063 2.11753 -98.31444 654.56026
5925.0000 -101.10156 -97.62249 3.47908 2.14482 -97.98470 666.80600
5930.0000 -101.52560 -98.29050 3.23510 2.15305 -97.88516 678.92411
5935.0000 -102.30408 -98.56718 3.73690 2.09797 -98.55073 613.18108
5940.0000 -102.22628 -99.28912 2.93716 2.02002 -99.49259 573.64039
5945.0000 -102.25873 -99.22714 3.03159 2.06406 -98.96044 618.54122
5950.0000 -101.99512 -99.13058 2.86454 2.02164 -99.47300 568.94373
5955.0000 -101.58268 -97.89186 3.69082 2.11788 -98.31019 634.50159
5960.0000 -102.07679 -99.02082 3.05597 2.10939 -98.41276 615.00729
5965.0000 -103.17647 -100.24321 2.93326 2.03201 -99.34776 567.60737
5970.0000 -102.50666 -100.23556 2.27110 1.99745 -99.76532 530.74005
5975.0000 -102.68520 -99.46204 3.22316 1.99900 -99.74655 544.26661
5980.0000 -102.73071 -99.61949 3.11121 2.04208 -99.22603 572.55991
5985.0000 -102.76885 -98.73694 4.03191 2.02821 -99.39357 566.55607
5990.0000 -102.45728 -99.13424 3.32304 2.09656 -98.56774 659.44419
5995.0000 -102.88406 -99.31491 3.56915 2.02926 -99.38098 575.56263
6000.0000 -101.73745 -97.72511 4.01234 2.11449 -98.35112 616.05168
FREEZING PROCESS: loop number 25 T-loop= 581.00000000000000
main_MD> interactions number 25 at Temperature= 581.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.29565 -3.09707 0.24470
force_rgl> df(natom) -0.21934 -3.48748 -6.52868
6005.0000 -101.77040 -98.67829 3.09211 2.09546 -98.58104 595.64612
6010.0000 -102.36050 -99.03658 3.32391 2.08883 -98.66116 603.60941
6015.0000 -102.48025 -99.20715 3.27310 2.07454 -98.83385 603.03229
6020.0000 -101.31119 -98.25676 3.05443 2.10810 -98.42837 619.46905
6025.0000 -102.16335 -98.85278 3.31057 2.13652 -98.08493 665.41479
6030.0000 -102.08503 -99.28178 2.80325 2.08063 -98.76029 608.65088
6035.0000 -101.43579 -98.02659 3.40920 2.09470 -98.59021 606.51069
6040.0000 -102.12431 -98.39319 3.73112 2.12513 -98.22252 634.12910
6045.0000 -101.79443 -98.52608 3.26835 2.12645 -98.20665 654.47750
6050.0000 -102.15068 -99.09565 3.05503 2.07154 -98.87004 592.34062
6055.0000 -102.53639 -99.33665 3.19974 2.02332 -99.45267 567.40823
6060.0000 -102.64540 -99.76302 2.88238 1.98712 -99.89004 534.44714
6065.0000 -102.43318 -99.52238 2.91080 2.01128 -99.59818 565.84486
6070.0000 -101.82350 -99.03649 2.78702 2.03120 -99.35751 567.40188
6075.0000 -100.48730 -97.39630 3.09100 2.15175 -97.90092 675.17948
6080.0000 -102.34758 -98.55466 3.79292 2.13526 -98.10018 641.56667
6085.0000 -103.16323 -99.45609 3.70714 2.03481 -99.31386 563.68896
6090.0000 -101.12986 -98.04713 3.08273 2.08435 -98.71524 571.67351
6095.0000 -102.01946 -98.89757 3.12189 2.12695 -98.20060 648.36788
6100.0000 -102.33887 -99.19695 3.14193 2.04034 -99.24701 564.15006
6105.0000 -102.22617 -99.03028 3.19589 2.04604 -99.17820 579.19835
6110.0000 -102.10986 -99.05390 3.05596 2.06060 -99.00223 606.52049
6115.0000 -101.70112 -98.48085 3.22027 2.03362 -99.32821 569.96282
6120.0000 -101.99774 -97.94160 4.05613 2.16906 -97.69177 662.51714
6125.0000 -102.20943 -98.67439 3.53505 2.09694 -98.56320 592.54274
6130.0000 -103.12506 -99.78298 3.34208 2.02918 -99.38188 565.94257
6135.0000 -102.89843 -99.15880 3.73963 2.03660 -99.29229 611.17925
6140.0000 -101.73004 -99.24390 2.48613 2.03133 -99.35592 606.76588
6145.0000 -102.65673 -99.59253 3.06420 2.03665 -99.29168 584.96303
6150.0000 -103.20267 -100.06369 3.13899 1.97803 -99.99991 539.28920
6155.0000 -102.64198 -99.83088 2.81111 2.00105 -99.72179 576.91513
6160.0000 -103.34971 -100.52615 2.82355 1.94160 -100.44009 521.75709
6165.0000 -102.60582 -99.22257 3.38325 1.97308 -100.05972 522.14924
6170.0000 -102.45600 -99.53448 2.92152 2.03496 -99.31209 572.40566
6175.0000 -102.45507 -99.71274 2.74234 2.01832 -99.51310 570.32533
6180.0000 -102.61342 -99.47139 3.14203 1.98927 -99.86410 555.59405
6185.0000 -102.73634 -99.48035 3.25599 2.00608 -99.66097 572.69174
6190.0000 -102.99124 -99.37328 3.61797 2.00064 -99.72671 547.36095
6195.0000 -102.91693 -99.80132 3.11560 2.01192 -99.59041 563.09362
6200.0000 -102.21291 -99.40209 2.81082 2.00059 -99.72737 555.96618
6205.0000 -101.91280 -98.29341 3.61939 2.07364 -98.84471 622.08649
6210.0000 -103.17334 -100.22225 2.95109 2.03375 -99.32669 595.49075
6215.0000 -103.28900 -100.36640 2.92260 2.02270 -99.46024 595.47053
6220.0000 -102.21058 -99.58668 2.62390 1.95649 -100.26021 519.29538
6225.0000 -102.92818 -99.59406 3.33411 1.98756 -99.88476 535.59615
6230.0000 -102.55842 -99.94734 2.61108 2.03639 -99.29480 574.11062
6235.0000 -101.86443 -98.87253 2.99189 2.04305 -99.21434 570.68666
6240.0000 -102.58246 -99.04059 3.54188 2.05257 -99.09929 587.77692
6245.0000 -103.07398 -99.76834 3.30564 2.01421 -99.56273 556.83519
6250.0000 -102.74769 -99.77755 2.97014 1.99024 -99.85239 558.88156
FREEZING PROCESS: loop number 26 T-loop= 556.00000000000000
main_MD> interactions number 26 at Temperature= 556.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.76620 -0.76165 -0.81355
force_rgl> df(natom) -0.38657 1.00998 1.21490
6255.0000 -101.75659 -98.57642 3.18017 2.09024 -98.64418 612.27301
6260.0000 -101.87821 -98.69236 3.18585 2.07597 -98.81651 605.84107
6265.0000 -102.71493 -99.30554 3.40939 2.03764 -99.27966 581.18549
6270.0000 -103.00584 -100.86045 2.14539 1.97062 -100.08949 515.61475
6275.0000 -103.10002 -100.47245 2.62757 1.94861 -100.35542 479.57709
6280.0000 -102.82068 -99.88896 2.93173 1.99071 -99.84670 558.67329
6285.0000 -103.40622 -100.34045 3.06576 1.98062 -99.96862 541.85878
6290.0000 -102.43469 -99.79873 2.63596 1.98542 -99.91063 542.41744
6295.0000 -102.85984 -99.77223 3.08761 1.98061 -99.96877 531.65456
6300.0000 -102.16015 -99.48762 2.67253 2.05419 -99.07973 590.02667
6305.0000 -102.31704 -99.47441 2.84263 2.01183 -99.59159 541.84636
6310.0000 -102.00393 -98.77344 3.23049 2.05690 -99.04693 606.74656
6315.0000 -102.99390 -100.35865 2.63525 1.97876 -99.99115 523.12945
6320.0000 -102.41881 -99.12577 3.29304 1.99630 -99.77918 552.07066
6325.0000 -102.73455 -99.98933 2.74522 2.03063 -99.36434 582.85639
6330.0000 -102.90385 -99.43250 3.47135 2.00771 -99.64129 552.87237
6335.0000 -102.80697 -99.63301 3.17396 2.02250 -99.46263 550.23286
6340.0000 -102.97012 -99.99195 2.97817 2.01080 -99.60397 573.79593
6345.0000 -103.57905 -100.30972 3.26933 1.95999 -100.21794 531.89141
6350.0000 -102.89776 -99.91409 2.98367 1.91552 -100.75520 484.84592
6355.0000 -103.09331 -99.86576 3.22755 1.99740 -99.76589 568.00538
6360.0000 -102.74361 -100.26628 2.47733 2.00644 -99.65670 569.27130
6365.0000 -102.19481 -99.72159 2.47322 1.96960 -100.10178 486.38858
6370.0000 -102.12328 -99.50109 2.62219 2.02093 -99.48164 565.93929
6375.0000 -102.58376 -100.14421 2.43954 1.98686 -99.89325 535.05145
6380.0000 -102.46334 -99.39717 3.06617 2.00247 -99.70460 538.04041
6385.0000 -102.61767 -99.93804 2.67963 2.03959 -99.25608 585.04950
6390.0000 -102.61737 -100.26776 2.34961 1.97560 -100.02936 541.03539
6395.0000 -102.78564 -99.71355 3.07209 1.97239 -100.06810 521.36976
6400.0000 -103.21163 -100.42335 2.78828 1.96593 -100.14609 513.52039
6405.0000 -103.42839 -100.52630 2.90209 1.93509 -100.51880 484.32022
6410.0000 -102.80855 -100.58484 2.22371 1.95937 -100.22535 501.73040
6415.0000 -103.74423 -100.99420 2.75003 1.92913 -100.59076 497.92528
6420.0000 -103.22278 -99.83510 3.38768 1.92687 -100.61813 514.92274
6425.0000 -102.59884 -100.06510 2.53374 2.02407 -99.44370 561.40541
6430.0000 -102.58317 -99.11606 3.46712 2.02679 -99.41078 556.21904
6435.0000 -102.74425 -99.34930 3.39495 2.03967 -99.25510 578.13993
6440.0000 -102.53367 -99.50960 3.02407 1.99611 -99.78144 546.27800
6445.0000 -102.30740 -98.72288 3.58452 2.04913 -99.14089 591.41749
6450.0000 -102.41917 -99.27356 3.14561 2.04802 -99.15424 591.10159
6455.0000 -101.90499 -99.22837 2.67662 2.01717 -99.52703 532.17676
6460.0000 -102.41472 -99.20792 3.20680 2.02044 -99.48746 530.61891
6465.0000 -101.40102 -97.80007 3.60095 2.10138 -98.50957 599.27552
6470.0000 -101.78280 -98.50779 3.27500 2.15530 -97.85798 665.33947
6475.0000 -103.23187 -98.87227 4.35960 2.09597 -98.57490 627.29496
6480.0000 -102.62266 -99.44911 3.17355 2.04552 -99.18451 618.80757
6485.0000 -102.14793 -99.10536 3.04257 2.02659 -99.41317 605.69148
6490.0000 -102.64870 -99.46905 3.17965 2.00398 -99.68641 573.11091
6495.0000 -102.40269 -99.72879 2.67390 1.99946 -99.74101 566.43562
6500.0000 -102.62011 -99.96485 2.65526 2.00435 -99.68187 547.61301
FREEZING PROCESS: loop number 27 T-loop= 531.00000000000000
main_MD> interactions number 27 at Temperature= 531.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.98594 1.04818 0.06294
force_rgl> df(natom) -3.16983 -2.16254 1.03205
6505.0000 -102.13853 -98.85530 3.28324 2.01755 -99.52240 535.67831
6510.0000 -101.92667 -98.79680 3.12987 2.04947 -99.13674 578.61316
6515.0000 -102.80696 -99.86426 2.94270 2.04340 -99.21006 566.00534
6520.0000 -102.83995 -99.93762 2.90232 1.99604 -99.78230 536.65384
6525.0000 -103.06719 -99.74129 3.32590 1.98407 -99.92691 521.87012
6530.0000 -102.65178 -99.89408 2.75770 1.96289 -100.18287 509.88629
6535.0000 -102.53693 -99.44621 3.09072 1.96761 -100.12587 490.58823
6540.0000 -102.91225 -99.18440 3.72786 2.05642 -99.05280 594.26908
6545.0000 -102.46685 -99.30407 3.16278 2.01848 -99.51116 574.41577
6550.0000 -102.43655 -99.76565 2.67090 1.98158 -99.95707 538.30918
6555.0000 -103.05767 -100.50076 2.55690 1.93776 -100.48650 493.71810
6560.0000 -103.01833 -100.56371 2.45462 1.93580 -100.51014 516.46209
6565.0000 -103.53323 -100.47538 3.05785 1.94620 -100.38455 526.17431
6570.0000 -102.72212 -99.95558 2.76654 1.94753 -100.36841 510.81980
6575.0000 -102.81647 -99.93705 2.87941 1.95253 -100.30801 496.63622
6580.0000 -102.86928 -99.98797 2.88131 1.98718 -99.88942 541.57675
6585.0000 -102.34725 -99.64924 2.69801 1.99761 -99.76334 521.67199
6590.0000 -102.27281 -99.63643 2.63638 2.00272 -99.70162 568.70033
6595.0000 -103.14651 -100.16384 2.98267 1.98258 -99.94490 551.97565
6600.0000 -102.81014 -99.34657 3.46358 2.01428 -99.56190 572.52627
6605.0000 -102.60225 -99.28469 3.31756 2.00021 -99.73192 541.14741
6610.0000 -102.79414 -99.42433 3.36981 2.00423 -99.68337 560.72929
6615.0000 -102.83095 -99.44347 3.38748 2.01848 -99.51122 569.29046
6620.0000 -102.07901 -99.44665 2.63236 2.04923 -99.13970 570.83933
6625.0000 -102.75665 -99.49842 3.25823 2.00648 -99.65620 539.70124
6630.0000 -102.70133 -99.30338 3.39795 1.99020 -99.85291 539.84821
6635.0000 -102.56120 -99.48478 3.07642 2.00631 -99.65823 542.84249
6640.0000 -102.55201 -99.68082 2.87120 2.00450 -99.68009 550.39548
6645.0000 -102.94245 -99.67242 3.27003 2.01944 -99.49960 552.09055
6650.0000 -102.81984 -100.04758 2.77226 2.00298 -99.69851 521.83130
6655.0000 -102.17689 -99.06808 3.10882 2.02507 -99.43151 544.03240
6660.0000 -102.50538 -99.47741 3.02797 2.04209 -99.22591 562.41718
6665.0000 -102.78123 -100.04484 2.73639 1.99495 -99.79544 542.86093
6670.0000 -102.73722 -99.50508 3.23214 1.97807 -99.99941 525.46718
6675.0000 -102.51232 -99.22648 3.28584 2.02252 -99.46233 564.63847
6680.0000 -101.46064 -98.02566 3.43498 2.07319 -98.85016 587.77363
6685.0000 -102.97599 -99.73094 3.24505 2.07277 -98.85521 596.76483
6690.0000 -103.28806 -99.70851 3.57954 1.99472 -99.79823 542.81164
6695.0000 -102.99648 -100.10504 2.89144 1.97213 -100.07123 552.24680
6700.0000 -103.63110 -100.83345 2.79765 1.92547 -100.63499 504.12216
6705.0000 -103.31353 -100.69992 2.61361 1.93412 -100.53051 504.80465
6710.0000 -103.14835 -100.54853 2.59982 1.91314 -100.78404 453.16344
6715.0000 -102.91609 -100.50478 2.41130 1.96018 -100.21562 505.27608
6720.0000 -102.64191 -99.96873 2.67318 1.97567 -100.02847 505.56875
6725.0000 -102.71920 -99.46138 3.25781 2.00826 -99.63465 517.62226
6730.0000 -102.81465 -99.36375 3.45090 2.02304 -99.45614 580.82270
6735.0000 -103.26098 -100.52134 2.73964 2.00577 -99.66479 566.49931
6740.0000 -102.64263 -99.63526 3.00737 1.98500 -99.91569 544.23372
6745.0000 -103.59847 -100.93052 2.66795 1.95029 -100.33505 514.12248
6750.0000 -102.52378 -99.68201 2.84176 1.96507 -100.15658 534.41639
FREEZING PROCESS: loop number 28 T-loop= 506.00000000000000
main_MD> interactions number 28 at Temperature= 506.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86298 0.72303 0.06307
force_rgl> df(natom) 1.94013 2.62351 -0.49952
6755.0000 -102.68400 -99.47072 3.21328 2.02470 -99.43603 558.20529
6760.0000 -102.80975 -100.19802 2.61173 1.96817 -100.11910 498.82456
6765.0000 -103.28434 -100.00886 3.27548 2.01400 -99.56536 555.42716
6770.0000 -102.46722 -99.77315 2.69407 1.99110 -99.84199 530.17106
6775.0000 -103.08495 -100.42985 2.65510 1.94109 -100.44627 500.19078
6780.0000 -103.06168 -99.94885 3.11283 1.97494 -100.03731 538.65552
6785.0000 -102.91172 -100.15095 2.76077 1.95622 -100.26345 494.28630
6790.0000 -103.12207 -100.50653 2.61554 1.91677 -100.74008 488.28940
6795.0000 -103.24221 -100.63869 2.60352 1.89216 -101.03746 455.53645
6800.0000 -102.71908 -100.20707 2.51202 1.97676 -100.01529 538.75551
6805.0000 -102.75345 -100.27168 2.48177 1.97205 -100.07217 494.26823
6810.0000 -102.88741 -99.22337 3.66404 1.98697 -99.89197 535.82550
6815.0000 -101.72253 -98.74343 2.97911 2.04889 -99.14374 591.73088
6820.0000 -102.83101 -99.36574 3.46528 2.05529 -99.06642 591.94476
6825.0000 -103.46105 -100.29782 3.16323 1.94791 -100.36389 512.64421
6830.0000 -103.62433 -100.72021 2.90413 1.98599 -99.90374 526.70012
6835.0000 -102.81870 -100.29879 2.51991 1.93931 -100.46784 512.00445
6840.0000 -103.17971 -99.80916 3.37055 1.97705 -100.01175 494.85140
6845.0000 -102.82724 -100.04789 2.77935 1.96921 -100.10647 528.64632
6850.0000 -103.49893 -100.26364 3.23529 1.95841 -100.23699 522.85641
6855.0000 -103.44601 -100.72163 2.72438 1.96845 -100.11570 549.46834
6860.0000 -103.01972 -100.30650 2.71322 1.90855 -100.83940 488.08755
6865.0000 -103.27846 -100.28382 2.99464 1.96290 -100.18272 525.20386
6870.0000 -102.97551 -100.63281 2.34270 1.93896 -100.47207 502.08169
6875.0000 -102.72316 -99.78777 2.93539 1.95707 -100.25317 525.99494
6880.0000 -102.83356 -99.32435 3.50921 2.00298 -99.69847 541.86729
6885.0000 -103.50701 -100.08574 3.42127 2.01629 -99.53767 556.18506
6890.0000 -102.91516 -100.47847 2.43668 1.93551 -100.51367 501.36852
6895.0000 -102.93244 -100.52262 2.40982 1.90882 -100.83613 484.47124
6900.0000 -103.28887 -100.90116 2.38770 1.93144 -100.56282 500.05722
6905.0000 -103.18389 -100.59020 2.59369 1.91735 -100.73311 479.13271
6910.0000 -102.95548 -100.11571 2.83977 1.96078 -100.20834 520.68687
6915.0000 -103.61248 -100.56074 3.05174 1.94652 -100.38067 503.93616
6920.0000 -102.83469 -99.77016 3.06454 1.94399 -100.41122 506.21149
6925.0000 -102.63471 -99.86880 2.76591 2.00135 -99.71811 565.89675
6930.0000 -103.67723 -99.87177 3.80546 1.95652 -100.25988 516.73620
6935.0000 -103.08380 -100.46788 2.61592 1.97766 -100.00445 518.16456
6940.0000 -103.24752 -100.27086 2.97666 1.94925 -100.34764 486.43171
6945.0000 -102.57907 -99.87510 2.70397 1.95447 -100.28464 505.13313
6950.0000 -102.40387 -99.88950 2.51437 1.98443 -99.92262 538.80274
6955.0000 -103.05157 -100.42970 2.62187 1.95603 -100.26578 506.73242
6960.0000 -102.81909 -100.41178 2.40731 1.93865 -100.47582 496.33040
6965.0000 -102.71361 -100.17556 2.53805 1.96453 -100.16308 496.03874
6970.0000 -102.83248 -100.40753 2.42495 1.92556 -100.63390 479.62212
6975.0000 -103.29336 -100.42023 2.87313 1.93708 -100.49468 508.01792
6980.0000 -102.80423 -100.18143 2.62280 1.97917 -99.98619 550.12478
6985.0000 -103.02635 -99.81295 3.21340 1.96705 -100.13265 529.57213
6990.0000 -103.04961 -99.81178 3.23782 1.97950 -99.98214 541.84280
6995.0000 -102.86042 -99.57056 3.28985 1.98159 -99.95693 521.13486
7000.0000 -102.88500 -100.52799 2.35700 1.96402 -100.16916 488.00777
FREEZING PROCESS: loop number 29 T-loop= 481.00000000000000
main_MD> interactions number 29 at Temperature= 481.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21760 -0.18693 4.90344
force_rgl> df(natom) 1.40211 0.82587 0.34637
7005.0000 -102.69706 -100.53436 2.16271 1.95960 -100.22267 504.61010
7010.0000 -103.20502 -100.60939 2.59563 1.93513 -100.51825 473.57950
7015.0000 -103.55836 -101.21253 2.34583 1.91007 -100.82110 480.03801
7020.0000 -103.22374 -100.05837 3.16536 1.94736 -100.37054 525.28577
7025.0000 -103.14963 -99.86984 3.27979 1.96701 -100.13313 530.62901
7030.0000 -103.18635 -99.97377 3.21258 1.99872 -99.74997 557.99445
7035.0000 -103.45559 -100.53003 2.92556 1.94008 -100.45849 508.52676
7040.0000 -103.48596 -101.38365 2.10231 1.90886 -100.83575 469.55208
7045.0000 -102.79081 -100.59500 2.19582 1.91376 -100.77649 469.63777
7050.0000 -103.16186 -100.79776 2.36410 1.91509 -100.76040 472.54611
7055.0000 -103.38531 -100.68949 2.69582 1.90108 -100.92974 472.04299
7060.0000 -103.54370 -101.12112 2.42258 1.89982 -100.94497 478.47699
7065.0000 -103.79064 -101.03676 2.75387 1.89531 -100.99937 462.99641
7070.0000 -102.67987 -100.49140 2.18847 1.90044 -100.93745 468.53396
7075.0000 -102.92760 -100.43618 2.49142 1.95194 -100.31523 488.11271
7080.0000 -103.48750 -99.93730 3.55021 1.95803 -100.24164 506.17516
7085.0000 -103.34913 -100.88594 2.46318 1.93401 -100.53187 489.61034
7090.0000 -103.10941 -101.07836 2.03105 1.89901 -100.95466 447.82757
7095.0000 -103.14206 -100.22578 2.91628 1.90701 -100.85811 469.80050
7100.0000 -102.64124 -100.30333 2.33791 1.95908 -100.22895 521.98391
7105.0000 -102.70973 -99.99611 2.71363 1.96279 -100.18407 496.89520
7110.0000 -102.26454 -99.35810 2.90644 1.97934 -99.98407 513.03257
7115.0000 -102.91618 -100.17673 2.73945 1.96712 -100.13175 526.87959
7120.0000 -103.21131 -100.63518 2.57612 1.93083 -100.57023 470.01420
7125.0000 -103.04130 -100.28294 2.75836 1.92855 -100.59783 461.92319
7130.0000 -102.29670 -99.63997 2.65673 1.98059 -99.96900 504.69711
7135.0000 -102.60391 -99.85911 2.74480 1.99506 -99.79421 527.49583
7140.0000 -102.56910 -99.42851 3.14059 2.01471 -99.55679 541.08127
7145.0000 -102.97482 -100.47121 2.50360 1.99063 -99.84772 500.14714
7150.0000 -103.06890 -100.66850 2.40040 1.93248 -100.55025 462.68989
7155.0000 -103.31939 -100.82387 2.49551 1.89745 -100.97362 424.17023
7160.0000 -103.04308 -100.54218 2.50089 1.91372 -100.77694 410.46526
7165.0000 -102.84166 -99.81169 3.02997 1.97265 -100.06494 501.30048
7170.0000 -103.11819 -100.26399 2.85420 1.97020 -100.09456 514.36873
7175.0000 -104.01066 -100.81071 3.19995 1.92971 -100.58383 489.36410
7180.0000 -103.34127 -101.16300 2.17826 1.91646 -100.74383 496.83960
7185.0000 -104.12408 -101.44099 2.68309 1.85384 -101.50053 429.66754
7190.0000 -103.89585 -101.50173 2.39412 1.85916 -101.43616 448.44378
7195.0000 -103.37165 -100.94728 2.42437 1.87015 -101.30339 441.32937
7200.0000 -103.73260 -101.31793 2.41467 1.90167 -100.92263 466.00435
7205.0000 -103.26792 -100.84335 2.42457 1.89057 -101.05673 461.52869
7210.0000 -103.16052 -101.18541 1.97511 1.91204 -100.79732 465.60829
7215.0000 -103.81174 -101.02435 2.78739 1.89216 -101.03747 444.49081
7220.0000 -103.31464 -100.56230 2.75234 1.91669 -100.74105 482.65102
7225.0000 -103.49523 -100.79270 2.70253 1.90514 -100.88063 456.80009
7230.0000 -103.50023 -101.37659 2.12363 1.87435 -101.25271 440.97113
7235.0000 -103.24438 -100.13097 3.11341 1.88575 -101.11492 461.74356
7240.0000 -103.49976 -101.08083 2.41893 1.93194 -100.55679 511.26897
7245.0000 -104.06417 -101.45109 2.61308 1.86730 -101.33785 441.52064
7250.0000 -103.77377 -101.07021 2.70356 1.87867 -101.20048 467.00770
FREEZING PROCESS: loop number 30 T-loop= 456.00000000000000
main_MD> interactions number 30 at Temperature= 456.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.37447 1.65291 4.73645
force_rgl> df(natom) -0.14014 -1.05292 0.50145
7255.0000 -103.73958 -101.22258 2.51700 1.86211 -101.40051 418.76954
7260.0000 -103.03714 -100.54918 2.48796 1.91792 -100.72625 496.81941
7265.0000 -103.31148 -100.88954 2.42194 1.92325 -100.66184 501.49624
7270.0000 -103.74673 -101.10187 2.64486 1.86555 -101.35903 445.11144
7275.0000 -103.62868 -101.46623 2.16245 1.87307 -101.26810 452.70620
7280.0000 -103.70308 -101.27027 2.43281 1.86993 -101.30605 438.31242
7285.0000 -103.48375 -100.79538 2.68837 1.87138 -101.28853 434.59796
7290.0000 -103.71924 -101.12008 2.59916 1.91578 -100.75212 462.23411
7295.0000 -103.32422 -100.82352 2.50070 1.89844 -100.96161 461.71443
7300.0000 -103.48319 -100.61825 2.86494 1.90989 -100.82322 464.77341
7305.0000 -103.10582 -100.60227 2.50355 1.91580 -100.75182 452.27323
7310.0000 -102.52605 -100.11573 2.41033 1.93580 -100.51020 486.02149
7315.0000 -103.59288 -100.90059 2.69229 1.92890 -100.59352 490.69434
7320.0000 -103.05007 -100.71601 2.33406 1.91974 -100.70418 477.35782
7325.0000 -103.04981 -101.12548 1.92433 1.91098 -100.81006 469.93748
7330.0000 -103.12350 -100.78302 2.34048 1.91566 -100.75356 488.85873
7335.0000 -103.98969 -101.65783 2.33186 1.88112 -101.17092 455.38959
7340.0000 -103.77547 -101.10860 2.66686 1.85613 -101.47287 429.94325
7345.0000 -103.43363 -101.05874 2.37489 1.87957 -101.18963 444.98428
7350.0000 -103.87689 -101.65019 2.22670 1.86989 -101.30661 442.68661
7355.0000 -103.33058 -100.96004 2.37054 1.85248 -101.51688 431.70570
7360.0000 -104.27925 -102.22786 2.05138 1.84520 -101.60490 422.94713
7365.0000 -103.91776 -102.01339 1.90437 1.82107 -101.89643 408.43816
7370.0000 -104.13749 -101.62936 2.50813 1.82055 -101.90269 406.96305
7375.0000 -103.97137 -101.58055 2.39082 1.84763 -101.57557 431.52534
7380.0000 -103.67283 -101.44379 2.22904 1.84501 -101.60714 427.09344
7385.0000 -103.42095 -100.97988 2.44106 1.90298 -100.90676 488.05826
7390.0000 -103.71471 -101.31495 2.39976 1.86904 -101.31688 425.03857
7395.0000 -104.06088 -101.33551 2.72537 1.84354 -101.62498 411.51172
7400.0000 -103.59530 -101.19968 2.39563 1.87184 -101.28306 451.65339
7405.0000 -102.82048 -100.98014 1.84034 1.88029 -101.18088 471.37351
7410.0000 -103.93072 -101.13752 2.79320 1.88946 -101.07014 468.40879
7415.0000 -103.82347 -101.72907 2.09439 1.86878 -101.32000 461.21254
7420.0000 -103.63880 -101.61676 2.02205 1.82567 -101.84086 396.33157
7425.0000 -104.33673 -102.08774 2.24899 1.84649 -101.58932 432.99963
7430.0000 -103.29317 -101.18481 2.10836 1.82540 -101.84416 407.40631
7435.0000 -103.64002 -101.03654 2.60348 1.87748 -101.21486 432.51703
7440.0000 -103.54699 -101.22212 2.32487 1.90849 -100.84021 468.28435
7445.0000 -103.30529 -101.16478 2.14050 1.88530 -101.12042 455.11810
7450.0000 -103.67236 -100.92242 2.74993 1.90847 -100.84037 492.58110
7455.0000 -103.23577 -100.50380 2.73197 1.95255 -100.30786 495.85538
7460.0000 -103.43783 -101.59191 1.84592 1.87904 -101.19601 421.23460
7465.0000 -103.81074 -100.91109 2.89966 1.86847 -101.32368 404.00035
7470.0000 -103.53801 -100.79706 2.74095 1.90844 -100.84079 473.50170
7475.0000 -103.72874 -101.27929 2.44944 1.89740 -100.97419 471.83512
7480.0000 -103.56547 -101.22172 2.34375 1.88956 -101.06894 467.58582
7485.0000 -103.61037 -100.94916 2.66121 1.88931 -101.07188 481.52312
7490.0000 -103.40252 -100.97190 2.43062 1.89696 -100.97948 464.84977
7495.0000 -103.65090 -101.23151 2.41939 1.88722 -101.09712 469.30651
7500.0000 -103.65456 -100.97873 2.67583 1.87743 -101.21546 459.26057
FREEZING PROCESS: loop number 31 T-loop= 431.00000000000000
main_MD> interactions number 31 at Temperature= 431.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46682 -1.80447 0.50900
force_rgl> df(natom) 1.17879 -1.31455 1.08734
7505.0000 -103.06338 -100.95295 2.11043 1.91865 -100.71740 492.03480
7510.0000 -103.66196 -101.33564 2.32632 1.88401 -101.13593 450.49585
7515.0000 -104.01092 -101.41428 2.59664 1.86303 -101.38950 434.17139
7520.0000 -103.98893 -101.53862 2.45031 1.85700 -101.46226 451.20272
7525.0000 -104.40791 -101.93987 2.46804 1.84571 -101.59873 447.70649
7530.0000 -104.01722 -102.13209 1.88513 1.78901 -102.28388 393.36233
7535.0000 -104.26097 -102.27391 1.98705 1.81710 -101.94438 417.48695
7540.0000 -104.03806 -101.12291 2.91515 1.81027 -102.02688 403.46172
7545.0000 -104.35711 -101.21457 3.14254 1.87007 -101.30437 474.03695
7550.0000 -103.52875 -101.45349 2.07526 1.87013 -101.30368 448.18487
7555.0000 -103.61602 -101.12556 2.49046 1.86638 -101.34895 435.29566
7560.0000 -103.78004 -101.79013 1.98992 1.85227 -101.51945 422.60338
7565.0000 -103.74232 -101.69431 2.04802 1.82735 -101.82056 393.37918
7570.0000 -103.89663 -101.67700 2.21962 1.85735 -101.45812 411.94129
7575.0000 -103.94766 -101.71134 2.23632 1.83259 -101.75726 403.35759
7580.0000 -104.03329 -101.91008 2.12322 1.82510 -101.84771 410.41531
7585.0000 -104.03013 -101.55011 2.48002 1.80849 -102.04845 389.69332
7590.0000 -103.86896 -101.60754 2.26142 1.84736 -101.57880 425.30126
7595.0000 -103.72288 -101.46319 2.25969 1.82963 -101.79302 418.40924
7600.0000 -103.82360 -101.84335 1.98025 1.82544 -101.84366 409.43313
7605.0000 -104.13471 -102.07880 2.05591 1.82838 -101.80815 416.11202
7610.0000 -104.02467 -101.38149 2.64318 1.85569 -101.47819 438.43174
7615.0000 -103.00059 -100.91532 2.08527 1.88396 -101.13656 445.03813
7620.0000 -103.53510 -101.28661 2.24849 1.89716 -100.97703 473.92978
7625.0000 -103.35773 -101.29970 2.05803 1.86797 -101.32981 427.84734
7630.0000 -103.44707 -101.13216 2.31491 1.86726 -101.33835 419.83733
7635.0000 -103.61930 -101.27024 2.34906 1.87406 -101.25624 443.50198
7640.0000 -103.25166 -100.88244 2.36922 1.89394 -101.01596 439.07275
7645.0000 -103.61111 -100.53943 3.07169 1.90142 -100.92557 452.07686
7650.0000 -103.98340 -101.62261 2.36079 1.88161 -101.16499 440.16541
7655.0000 -103.88596 -101.52855 2.35742 1.84004 -101.66726 403.16519
7660.0000 -103.72250 -101.19208 2.53042 1.83339 -101.74760 402.41991
7665.0000 -103.69001 -101.56224 2.12777 1.86040 -101.42129 420.80216
7670.0000 -104.00959 -101.60378 2.40581 1.84184 -101.64546 406.73864
7675.0000 -103.85707 -101.17207 2.68500 1.85915 -101.43635 424.56049
7680.0000 -103.89222 -102.07421 1.81800 1.83828 -101.68846 417.91065
7685.0000 -103.20035 -100.52773 2.67262 1.86851 -101.32322 429.79840
7690.0000 -103.95623 -101.60699 2.34923 1.87673 -101.22391 443.29773
7695.0000 -104.62351 -102.80102 1.82250 1.81567 -101.96175 388.96446
7700.0000 -103.81649 -101.43177 2.38472 1.82178 -101.88784 413.96634
7705.0000 -103.62855 -101.14750 2.48105 1.85401 -101.49845 437.22655
7710.0000 -104.07561 -101.33933 2.73628 1.87451 -101.25069 461.80419
7715.0000 -103.92530 -101.85386 2.07144 1.84542 -101.60223 422.40804
7720.0000 -104.03722 -101.81744 2.21978 1.84819 -101.56881 435.67712
7725.0000 -103.89811 -101.62086 2.27725 1.85102 -101.53460 425.83234
7730.0000 -104.20999 -101.73559 2.47439 1.81588 -101.95917 399.89340
7735.0000 -104.27186 -102.33476 1.93711 1.79676 -102.19020 378.56573
7740.0000 -103.67582 -101.14749 2.52833 1.83744 -101.69871 408.58987
7745.0000 -103.97012 -101.08519 2.88493 1.87963 -101.18894 438.61131
7750.0000 -103.80663 -101.32181 2.48482 1.85307 -101.50985 435.88668
FREEZING PROCESS: loop number 32 T-loop= 406.00000000000000
main_MD> interactions number 32 at Temperature= 406.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88022 0.55607 2.36632
force_rgl> df(natom) -1.37481 -2.20788 1.01623
7755.0000 -104.24713 -102.01334 2.23380 1.87956 -101.18972 449.87963
7760.0000 -103.97997 -101.86663 2.11334 1.85165 -101.52692 439.26708
7765.0000 -104.06481 -101.38171 2.68310 1.82757 -101.81789 416.17717
7770.0000 -104.16550 -101.56688 2.59862 1.84588 -101.59667 443.70411
7775.0000 -103.75471 -101.66254 2.09217 1.84263 -101.63595 425.01039
7780.0000 -103.92904 -101.81426 2.11479 1.84426 -101.61626 430.51209
7785.0000 -104.13058 -101.56551 2.56507 1.83961 -101.67238 426.34419
7790.0000 -104.44878 -102.40614 2.04264 1.82980 -101.79096 406.65669
7795.0000 -104.12484 -102.10838 2.01646 1.77343 -102.47202 354.75812
7800.0000 -103.43637 -101.90357 1.53279 1.81886 -101.92309 384.97707
7805.0000 -104.21596 -102.47119 1.74477 1.80242 -102.12182 359.28588
7810.0000 -103.77972 -101.63135 2.14837 1.83306 -101.75156 402.94745
7815.0000 -103.63416 -101.06425 2.56991 1.87245 -101.27566 440.66603
7820.0000 -103.76167 -101.37668 2.38499 1.86894 -101.31801 435.15053
7825.0000 -103.71962 -101.01009 2.70953 1.88049 -101.17843 462.70964
7830.0000 -104.32351 -101.86030 2.46321 1.85730 -101.45864 448.73812
7835.0000 -103.83321 -101.78405 2.04916 1.83576 -101.71889 414.30907
7840.0000 -104.13528 -101.67319 2.46209 1.86808 -101.32846 454.72886
7845.0000 -103.79665 -101.00320 2.79345 1.84909 -101.55791 440.02740
7850.0000 -104.32211 -102.19483 2.12728 1.84010 -101.66650 424.86520
7855.0000 -103.58093 -101.64682 1.93411 1.82300 -101.87307 394.65748
7860.0000 -103.52049 -101.34912 2.17137 1.84770 -101.57464 433.18282
7865.0000 -104.06558 -101.70964 2.35594 1.81976 -101.91226 400.00937
7870.0000 -104.06899 -102.15654 1.91246 1.81467 -101.97383 384.07183
7875.0000 -103.41475 -100.85168 2.56307 1.89498 -101.00343 468.95593
7880.0000 -104.10873 -101.95710 2.15164 1.85233 -101.51879 440.09897
7885.0000 -104.48260 -102.24500 2.23759 1.79928 -102.15970 382.89436
7890.0000 -104.27961 -102.17459 2.10502 1.78006 -102.39194 369.02689
7895.0000 -104.03235 -101.46811 2.56424 1.84212 -101.64206 440.58056
7900.0000 -104.11407 -101.92803 2.18604 1.86176 -101.40475 453.73467
7905.0000 -103.65114 -101.65907 1.99207 1.80421 -102.10017 382.80965
7910.0000 -104.27113 -102.58983 1.68130 1.82827 -101.80948 418.80248
7915.0000 -104.29073 -102.13223 2.15849 1.75822 -102.65584 337.24378
7920.0000 -103.80598 -101.96191 1.84408 1.78428 -102.34097 356.64735
7925.0000 -104.37858 -101.68232 2.69626 1.82387 -101.86265 397.69215
7930.0000 -103.96855 -101.90840 2.06016 1.80785 -102.05613 375.07626
7935.0000 -104.17588 -102.19425 1.98163 1.80521 -102.08809 387.08657
7940.0000 -104.09483 -102.10695 1.98789 1.81011 -102.02888 389.13455
7945.0000 -103.99629 -102.00717 1.98912 1.82052 -101.90305 395.17008
7950.0000 -104.44190 -101.87080 2.57109 1.79876 -102.16597 379.65115
7955.0000 -104.53424 -102.49138 2.04285 1.78480 -102.33464 369.61494
7960.0000 -103.84906 -102.22349 1.62558 1.77018 -102.51137 353.86382
7965.0000 -104.45040 -102.16180 2.28860 1.80380 -102.10507 375.51280
7970.0000 -104.11211 -102.06528 2.04684 1.81317 -101.99189 407.46323
7975.0000 -104.45977 -102.56584 1.89393 1.78640 -102.31531 373.18961
7980.0000 -103.89179 -101.68686 2.20493 1.80349 -102.10882 377.32065
7985.0000 -103.48199 -101.56037 1.92162 1.82119 -101.89498 391.48451
7990.0000 -103.89719 -101.93395 1.96324 1.83710 -101.70282 408.83419
7995.0000 -104.23864 -101.76156 2.47709 1.82728 -101.82136 402.50429
8000.0000 -103.55521 -101.32381 2.23140 1.84099 -101.65574 404.00705
FREEZING PROCESS: loop number 33 T-loop= 381.00000000000000
main_MD> interactions number 33 at Temperature= 381.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10328 -0.22074 -0.64788
force_rgl> df(natom) 2.41917 0.54693 -1.47061
8005.0000 -104.25015 -101.92731 2.32285 1.82615 -101.83501 414.46132
8010.0000 -104.31198 -102.25463 2.05734 1.79217 -102.24569 388.38190
8015.0000 -104.40304 -102.38454 2.01850 1.76458 -102.57903 358.51074
8020.0000 -104.76078 -102.52454 2.23623 1.76396 -102.58649 353.55289
8025.0000 -104.47975 -102.85384 1.62591 1.73835 -102.89590 327.43450
8030.0000 -104.73161 -102.96114 1.77047 1.73523 -102.93364 319.63831
8035.0000 -104.49929 -102.73023 1.76906 1.75032 -102.75136 334.17929
8040.0000 -104.16948 -101.99370 2.17578 1.77844 -102.41150 370.01961
8045.0000 -104.35740 -102.02177 2.33563 1.81742 -101.94058 417.92946
8050.0000 -104.63322 -102.52640 2.10682 1.80020 -102.14864 403.38981
8055.0000 -104.31022 -102.40646 1.90376 1.76587 -102.56338 362.47242
8060.0000 -104.12589 -102.32627 1.79962 1.77324 -102.47441 360.09859
8065.0000 -104.04279 -101.76629 2.27650 1.81936 -101.91715 403.20871
8070.0000 -104.36203 -102.39936 1.96266 1.80446 -102.09712 392.65821
8075.0000 -104.13331 -101.94683 2.18648 1.80876 -102.04524 406.76556
8080.0000 -104.48659 -102.54302 1.94356 1.80271 -102.11826 385.88258
8085.0000 -104.01549 -101.75275 2.26274 1.84463 -101.61178 421.39088
8090.0000 -104.16316 -102.41991 1.74325 1.80634 -102.07439 375.30945
8095.0000 -104.20848 -102.70925 1.49923 1.76253 -102.60379 323.79153
8100.0000 -104.36690 -102.26897 2.09792 1.77595 -102.44166 352.90725
8105.0000 -104.83564 -102.58541 2.25023 1.78786 -102.29771 375.55303
8110.0000 -104.69393 -102.29126 2.40268 1.78178 -102.37113 381.92336
8115.0000 -104.69289 -103.15002 1.54287 1.73119 -102.98245 332.07999
8120.0000 -104.66318 -102.86990 1.79329 1.75597 -102.68300 351.98112
8125.0000 -104.58650 -102.72447 1.86203 1.73918 -102.88593 341.26815
8130.0000 -104.44054 -102.47653 1.96401 1.76568 -102.56570 364.45304
8135.0000 -104.55388 -102.65522 1.89866 1.77591 -102.44215 370.85338
8140.0000 -104.86530 -102.64924 2.21606 1.76810 -102.53646 367.55964
8145.0000 -104.21109 -102.23497 1.97612 1.75201 -102.73086 336.86593
8150.0000 -104.07868 -102.12140 1.95728 1.79963 -102.15548 385.56831
8155.0000 -104.37987 -102.43630 1.94358 1.78194 -102.36930 372.06026
8160.0000 -104.22780 -101.94041 2.28739 1.81097 -102.01849 375.28980
8165.0000 -103.62594 -102.01570 1.61024 1.81729 -101.94206 389.41922
8170.0000 -103.67475 -101.98457 1.69018 1.80333 -102.11083 351.59629
8175.0000 -103.80725 -101.58022 2.22703 1.81787 -101.93511 373.91606
8180.0000 -103.89816 -101.98306 1.91510 1.83819 -101.68957 399.55307
8185.0000 -103.60787 -101.70761 1.90027 1.83933 -101.67576 390.66051
8190.0000 -103.79679 -101.79002 2.00677 1.81140 -102.01330 366.98314
8195.0000 -104.24883 -102.21898 2.02985 1.81306 -101.99325 386.69132
8200.0000 -103.95086 -101.83335 2.11751 1.80612 -102.07706 388.19848
8205.0000 -103.76914 -101.41292 2.35622 1.83490 -101.72928 411.65823
8210.0000 -103.52676 -101.10959 2.41717 1.87871 -101.20002 429.90450
8215.0000 -103.25114 -101.34478 1.90637 1.86935 -101.31304 425.96768
8220.0000 -104.03982 -101.78354 2.25628 1.83244 -101.75907 385.56840
8225.0000 -104.08630 -101.37188 2.71442 1.83707 -101.70316 392.05077
8230.0000 -104.07934 -101.00375 3.07559 1.87767 -101.21257 438.78466
8235.0000 -104.38956 -101.57549 2.81407 1.87756 -101.21386 439.60634
8240.0000 -104.13846 -102.55232 1.58614 1.80343 -102.10959 373.83688
8245.0000 -104.06011 -101.66309 2.39702 1.80442 -102.09763 381.04497
8250.0000 -104.24634 -102.12610 2.12025 1.81689 -101.94697 404.14491
FREEZING PROCESS: loop number 34 T-loop= 356.00000000000000
main_MD> interactions number 34 at Temperature= 356.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.37759 0.18085 -2.48532
force_rgl> df(natom) -0.32743 -1.79947 2.25986
8255.0000 -104.35757 -102.06001 2.29756 1.81011 -102.02888 380.32094
8260.0000 -104.25018 -102.57181 1.67837 1.77862 -102.40931 342.55190
8265.0000 -104.51802 -102.77519 1.74284 1.77699 -102.42910 349.89029
8270.0000 -104.04683 -101.83313 2.21370 1.79108 -102.25881 361.02578
8275.0000 -104.56326 -102.43485 2.12841 1.79205 -102.24707 365.03262
8280.0000 -104.44338 -102.30858 2.13480 1.77847 -102.41112 361.80950
8285.0000 -104.31020 -102.61621 1.69399 1.74580 -102.80590 323.39680
8290.0000 -104.28717 -102.47667 1.81050 1.76832 -102.53377 333.16987
8295.0000 -104.34574 -102.33679 2.00895 1.78749 -102.30215 362.69817
8300.0000 -104.22650 -102.12894 2.09755 1.78495 -102.33282 353.81261
8305.0000 -104.34692 -101.91465 2.43226 1.80995 -102.03077 384.86270
8310.0000 -104.55792 -102.46429 2.09363 1.79785 -102.17703 385.25056
8315.0000 -104.48098 -102.30438 2.17659 1.77093 -102.50227 368.12221
8320.0000 -104.00203 -102.27643 1.72560 1.79279 -102.23814 393.96243
8325.0000 -104.49372 -102.54770 1.94602 1.78914 -102.28222 384.99660
8330.0000 -104.16822 -102.15287 2.01535 1.76686 -102.55142 362.58069
8335.0000 -104.16482 -102.52072 1.64410 1.76652 -102.55551 363.55885
8340.0000 -104.63090 -102.85362 1.77728 1.76261 -102.60281 356.43389
8345.0000 -104.77567 -102.96710 1.80857 1.74833 -102.77535 344.25692
8350.0000 -104.26499 -102.52439 1.74060 1.73734 -102.90811 333.14297
8355.0000 -104.47285 -102.69685 1.77600 1.77326 -102.47418 365.39756
8360.0000 -104.77729 -102.80042 1.97688 1.72579 -103.04774 322.61067
8365.0000 -104.84450 -102.69996 2.14454 1.74738 -102.78685 340.05477
8370.0000 -104.39132 -102.72013 1.67119 1.75156 -102.73627 349.71881
8375.0000 -104.76117 -102.86202 1.89915 1.74049 -102.87005 340.89934
8380.0000 -104.87030 -102.73194 2.13836 1.73908 -102.88712 334.62596
8385.0000 -104.74911 -102.93876 1.81035 1.75707 -102.66972 345.69158
8390.0000 -104.87494 -102.91610 1.95884 1.75152 -102.73684 341.86068
8395.0000 -104.65613 -102.42491 2.23122 1.75176 -102.73390 343.32297
8400.0000 -104.37547 -102.20186 2.17361 1.77656 -102.43420 365.94578
8405.0000 -104.29644 -102.35604 1.94040 1.78184 -102.37043 343.68656
8410.0000 -104.30632 -102.62160 1.68472 1.78470 -102.33593 381.26894
8415.0000 -104.31728 -102.58486 1.73242 1.76952 -102.51937 370.27597
8420.0000 -104.39998 -102.06045 2.33954 1.78455 -102.33765 371.81834
8425.0000 -104.76311 -103.05538 1.70774 1.76364 -102.59033 361.38065
8430.0000 -105.10947 -103.01508 2.09439 1.73783 -102.90228 328.47674
8435.0000 -104.59919 -102.53286 2.06633 1.74972 -102.75849 355.40710
8440.0000 -104.87625 -102.63029 2.24596 1.76423 -102.58324 362.50498
8445.0000 -104.77767 -103.18092 1.59675 1.76168 -102.61403 359.27731
8450.0000 -104.40184 -102.39623 2.00561 1.76112 -102.62083 353.79064
8455.0000 -104.42374 -102.29987 2.12387 1.78057 -102.38579 373.58691
8460.0000 -104.72910 -102.46980 2.25930 1.78029 -102.38914 373.42140
8465.0000 -104.54896 -102.22330 2.32566 1.78216 -102.36657 374.69674
8470.0000 -104.34412 -102.08370 2.26042 1.78626 -102.31708 377.90909
8475.0000 -104.40846 -102.57421 1.83425 1.75427 -102.70358 357.49109
8480.0000 -104.12229 -102.39774 1.72455 1.77580 -102.44347 370.12000
8485.0000 -104.67030 -102.82349 1.84680 1.75518 -102.69255 352.34000
8490.0000 -104.22572 -102.27928 1.94644 1.76809 -102.53662 366.03047
8495.0000 -104.96381 -103.06461 1.89920 1.76920 -102.52322 362.51565
8500.0000 -104.81668 -103.17609 1.64058 1.71781 -103.14410 314.46661
FREEZING PROCESS: loop number 35 T-loop= 331.00000000000000
main_MD> interactions number 35 at Temperature= 331.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51274 -0.74007 -0.80288
force_rgl> df(natom) -1.99560 -1.19557 -0.48268
8505.0000 -104.83040 -102.56759 2.26281 1.73647 -102.91867 329.24125
8510.0000 -104.86449 -103.00803 1.85646 1.75611 -102.68140 349.10251
8515.0000 -104.86082 -103.10533 1.75549 1.74158 -102.85696 341.23201
8520.0000 -104.55816 -102.75445 1.80371 1.72639 -103.04049 324.69201
8525.0000 -104.78165 -103.11459 1.66705 1.73505 -102.93582 305.58531
8530.0000 -104.71002 -103.10958 1.60044 1.71940 -103.12486 306.72271
8535.0000 -104.63412 -103.13266 1.50146 1.71277 -103.20502 304.34317
8540.0000 -104.40380 -102.76063 1.64316 1.72738 -103.02846 311.61295
8545.0000 -104.74462 -102.61467 2.12995 1.75070 -102.74669 336.31655
8550.0000 -104.49791 -103.15959 1.33832 1.72765 -103.02523 307.04853
8555.0000 -104.60310 -102.90734 1.69577 1.72413 -103.06774 318.12960
8560.0000 -104.53187 -102.50338 2.02849 1.76498 -102.57413 358.44014
8565.0000 -104.55918 -102.66898 1.89020 1.73767 -102.90409 327.71625
8570.0000 -104.69310 -102.89066 1.80244 1.73652 -102.91809 328.53866
8575.0000 -104.82304 -103.02808 1.79496 1.72234 -103.08938 318.93103
8580.0000 -104.52184 -102.74799 1.77385 1.73822 -102.89756 334.58306
8585.0000 -104.56365 -102.85865 1.70500 1.73274 -102.96369 330.98149
8590.0000 -104.67493 -103.14017 1.53476 1.72420 -103.06689 320.62700
8595.0000 -104.55211 -102.81827 1.73385 1.72081 -103.10792 312.05473
8600.0000 -104.95924 -103.25334 1.70590 1.71839 -103.13707 316.69969
8605.0000 -104.75783 -102.87415 1.88368 1.73090 -102.98595 329.21173
8610.0000 -104.58856 -102.49857 2.08998 1.76828 -102.53434 367.12350
8615.0000 -104.41083 -102.74171 1.66912 1.75873 -102.64971 338.44884
8620.0000 -104.91132 -103.03355 1.87776 1.73293 -102.96144 318.65650
8625.0000 -105.13873 -102.98181 2.15692 1.72731 -103.02935 321.58621
8630.0000 -104.33349 -102.52063 1.81286 1.74653 -102.79707 336.20362
8635.0000 -104.85287 -103.08034 1.77253 1.74145 -102.85845 324.29966
8640.0000 -104.79060 -102.86311 1.92749 1.73662 -102.91686 324.05729
8645.0000 -104.33556 -102.73004 1.60552 1.74246 -102.84629 329.86819
8650.0000 -104.78783 -103.02193 1.76590 1.72550 -103.05121 324.74409
8655.0000 -104.65375 -102.80263 1.85113 1.71706 -103.15320 317.99861
8660.0000 -104.94530 -102.90265 2.04265 1.72842 -103.01588 319.67235
8665.0000 -104.57954 -102.79992 1.77962 1.73556 -102.92960 325.98578
8670.0000 -104.64892 -102.63072 2.01820 1.75555 -102.68808 345.20122
8675.0000 -104.37245 -102.42691 1.94554 1.76328 -102.59470 359.56994
8680.0000 -104.91303 -103.07280 1.84023 1.73907 -102.88724 334.38817
8685.0000 -105.22312 -103.38376 1.83936 1.70214 -103.33344 298.18307
8690.0000 -104.83808 -103.32564 1.51244 1.70728 -103.27139 297.74069
8695.0000 -104.95091 -103.07310 1.87781 1.71263 -103.20673 299.51999
8700.0000 -104.58610 -102.39124 2.19486 1.74223 -102.84901 330.95393
8705.0000 -104.64012 -102.46149 2.17863 1.77453 -102.45878 363.99356
8710.0000 -104.81046 -103.22963 1.58083 1.73172 -102.97602 326.56344
8715.0000 -104.84237 -103.36227 1.48010 1.70860 -103.25543 303.99712
8720.0000 -104.48089 -102.61471 1.86618 1.73356 -102.95376 328.73829
8725.0000 -105.05214 -103.45068 1.60147 1.71424 -103.18720 308.36811
8730.0000 -104.35565 -102.77964 1.57601 1.71196 -103.21484 307.19276
8735.0000 -104.92768 -103.04208 1.88560 1.72665 -103.03729 323.81991
8740.0000 -104.61614 -103.19161 1.42453 1.73461 -102.94111 320.98320
8745.0000 -104.49046 -102.94459 1.54587 1.72015 -103.11585 304.80150
8750.0000 -104.61304 -102.45725 2.15579 1.75221 -102.72851 336.43486
FREEZING PROCESS: loop number 36 T-loop= 306.00000000000000
main_MD> interactions number 36 at Temperature= 306.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94596 -2.27632 1.15024
force_rgl> df(natom) -0.77158 -1.29458 0.02120
8755.0000 -104.54830 -102.72075 1.82755 1.76139 -102.61753 339.86364
8760.0000 -104.64625 -102.95975 1.68650 1.73694 -102.91298 320.96310
8765.0000 -105.06034 -103.23873 1.82161 1.70680 -103.27715 285.24290
8770.0000 -104.94947 -103.14844 1.80103 1.71163 -103.21874 303.63912
8775.0000 -104.85698 -103.10253 1.75445 1.70802 -103.26237 294.11389
8780.0000 -104.50233 -102.77175 1.73058 1.74237 -102.84730 330.57226
8785.0000 -104.57673 -102.86375 1.71298 1.73730 -102.90861 323.74776
8790.0000 -104.48309 -103.19689 1.28620 1.71922 -103.12703 307.95374
8795.0000 -104.84572 -102.81260 2.03311 1.71571 -103.16943 306.71818
8800.0000 -105.13186 -103.28895 1.84290 1.71094 -103.22717 308.59329
8805.0000 -105.07727 -103.19362 1.88365 1.70124 -103.34434 296.39965
8810.0000 -105.04254 -103.73462 1.30792 1.68970 -103.48370 276.34019
8815.0000 -104.84430 -103.38852 1.45579 1.68499 -103.54068 272.71956
8820.0000 -104.97611 -103.16813 1.80797 1.71172 -103.21775 298.66483
8825.0000 -104.64099 -102.75519 1.88581 1.71894 -103.13044 313.59005
8830.0000 -104.81238 -103.09951 1.71287 1.74100 -102.86390 337.64250
8835.0000 -104.66223 -102.90001 1.76222 1.71786 -103.14350 313.92381
8840.0000 -104.91096 -103.13894 1.77202 1.72406 -103.06862 321.60312
8845.0000 -104.54284 -102.87147 1.67137 1.73316 -102.95865 336.09708
8850.0000 -104.72345 -102.96425 1.75920 1.73540 -102.93162 333.19070
8855.0000 -105.07230 -103.46384 1.60847 1.71129 -103.22294 305.53938
8860.0000 -105.16712 -103.63754 1.52958 1.69329 -103.44042 291.45156
8865.0000 -105.01168 -103.28060 1.73109 1.68867 -103.49617 285.40187
8870.0000 -104.46603 -102.65918 1.80685 1.70533 -103.29495 300.20979
8875.0000 -104.78345 -102.61062 2.17283 1.75662 -102.67512 352.02045
8880.0000 -104.69948 -102.99915 1.70032 1.71889 -103.13107 316.76027
8885.0000 -104.77768 -103.41127 1.36641 1.71937 -103.12528 317.65402
8890.0000 -104.88395 -103.36497 1.51898 1.69866 -103.37554 291.14252
8895.0000 -105.21519 -103.47542 1.73976 1.69539 -103.41499 290.36048
8900.0000 -104.93525 -103.42788 1.50737 1.69313 -103.44231 287.74310
8905.0000 -104.91848 -102.94168 1.97681 1.70992 -103.23945 307.69111
8910.0000 -104.86576 -103.11737 1.74839 1.74692 -102.79242 347.49286
8915.0000 -105.01455 -103.04284 1.97172 1.71989 -103.11896 317.63830
8920.0000 -104.86776 -103.15625 1.71151 1.72003 -103.11726 315.88429
8925.0000 -104.89350 -103.30513 1.58837 1.70778 -103.26530 298.94010
8930.0000 -105.32593 -103.47039 1.85554 1.71544 -103.17271 307.65934
8935.0000 -104.35565 -102.68960 1.66605 1.70163 -103.33966 283.52048
8940.0000 -104.84437 -103.24540 1.59897 1.74610 -102.80228 333.37554
8945.0000 -104.87139 -103.05465 1.81674 1.71548 -103.17226 304.77912
8950.0000 -104.72810 -103.17991 1.54819 1.72233 -103.08948 322.34296
8955.0000 -105.10378 -103.43172 1.67205 1.69871 -103.37494 286.96467
8960.0000 -104.89701 -103.03506 1.86195 1.71182 -103.21644 303.84114
8965.0000 -105.07709 -103.27875 1.79834 1.71143 -103.22115 307.28432
8970.0000 -104.92664 -103.35026 1.57638 1.73333 -102.95656 316.78324
8975.0000 -105.24322 -103.35927 1.88395 1.69432 -103.42790 278.10022
8980.0000 -104.70762 -102.83461 1.87301 1.71381 -103.19243 300.36614
8985.0000 -104.70276 -103.23172 1.47104 1.71164 -103.21868 288.47896
8990.0000 -105.01684 -103.35139 1.66545 1.70777 -103.26543 289.29557
8995.0000 -104.82284 -103.34308 1.47975 1.71126 -103.22328 296.01814
9000.0000 -105.21015 -103.39459 1.81557 1.68680 -103.51874 273.97836
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 53.1141905 [s].
main_MD> Deallocating global variables
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