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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_86/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_86.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 = 86 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 86 8600
main_MD> Size of nv and nvoiz: 86 8600
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 = 86
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 2.2395710850648540E-002 -2.5227360517281607E-002 6.9010216625645798E-002 initial drift of cluster / NP1 for coalescence
init> 0.27609489873554832 0.31796802697289084 0.30884057140724808 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7099219820287007E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10495 -6.09354 3.69461
force_rgl> df(natom) -12.71562 -0.86031 6.05787
preparo> THERMALIZATION PROCESS AT 1187.4312366219006
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -187.97142313851350 12.829955031509243 -200.80137817002276 7.1000543881622380E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
FREEZING PROCESS: loop number 1 T-loop= 1169.0000000000000
main_MD> interactions number 1 at Temperature= 1169.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14221 0.27550 0.10538
force_rgl> df(natom) -0.60857 -0.81023 0.10508
5.0000 -205.38310 -192.37492 13.00818 3.32519 -188.91392 1222.54102
10.0000 -203.35581 -191.26244 12.09337 3.12519 -192.81051 1105.31772
15.0000 -204.67197 -191.57070 13.10127 3.19229 -191.50329 1156.01726
20.0000 -203.84714 -191.14006 12.70708 3.24468 -190.48247 1202.01052
25.0000 -203.39997 -188.96669 14.43328 3.27783 -189.83655 1220.99435
30.0000 -206.02122 -192.33899 13.68223 3.15230 -192.28234 1139.90917
35.0000 -204.92238 -191.64193 13.28045 3.12341 -192.84517 1106.57227
40.0000 -201.57323 -188.31950 13.25373 3.28495 -189.69781 1198.89873
45.0000 -202.92627 -189.36917 13.55710 3.21733 -191.01526 1184.80091
50.0000 -202.05639 -187.38273 14.67366 3.34375 -188.55228 1280.34425
55.0000 -203.24755 -190.00383 13.24371 3.30069 -189.39123 1219.53653
60.0000 -204.52757 -190.35172 14.17586 3.26231 -190.13891 1227.41177
65.0000 -200.69195 -187.18939 13.50256 3.34074 -188.61087 1238.71450
70.0000 -204.73103 -191.94070 12.79033 3.24880 -190.40229 1207.24587
75.0000 -203.30055 -191.48678 11.81377 3.19543 -191.44202 1156.06287
80.0000 -202.28459 -190.52633 11.75826 3.19440 -191.46205 1176.37750
85.0000 -204.64911 -191.27903 13.37007 3.24157 -190.54306 1181.56043
90.0000 -205.16105 -190.66743 14.49361 3.18927 -191.56200 1154.68901
95.0000 -203.59151 -190.50086 13.09066 3.18414 -191.66195 1173.52648
100.0000 -203.38479 -192.48298 10.90181 3.17983 -191.74593 1145.08251
105.0000 -203.53298 -191.06337 12.46962 3.21197 -191.11983 1158.82543
110.0000 -205.67982 -194.27351 11.40632 3.15511 -192.22762 1145.88285
115.0000 -204.74858 -193.09185 11.65673 3.13276 -192.66307 1100.31971
120.0000 -203.40360 -190.59241 12.81119 3.21167 -191.12562 1154.22703
125.0000 -201.82648 -187.69654 14.12994 3.25794 -190.22413 1192.63252
130.0000 -204.00524 -192.14601 11.85923 3.25760 -190.23077 1197.83303
135.0000 -206.71507 -194.59603 12.11905 3.12334 -192.84656 1129.23180
140.0000 -206.39266 -194.61125 11.78141 3.04763 -194.32174 1055.07442
145.0000 -205.55726 -193.58566 11.97160 3.05717 -194.13583 1075.77364
150.0000 -207.25002 -196.59150 10.65853 3.05688 -194.14145 1077.00225
155.0000 -204.14295 -190.35681 13.78614 3.09212 -193.45484 1103.30160
160.0000 -205.28363 -190.85504 14.42859 3.26834 -190.02148 1209.01674
165.0000 -203.37369 -190.64571 12.72798 3.22992 -190.77013 1172.28755
170.0000 -200.94505 -186.96544 13.97962 3.35520 -188.32909 1248.40881
175.0000 -202.77619 -188.51260 14.26359 3.35417 -188.34927 1258.24919
180.0000 -202.52138 -190.06445 12.45693 3.29922 -189.41981 1217.11134
185.0000 -204.31989 -189.92391 14.39598 3.33964 -188.63227 1245.52665
190.0000 -203.50497 -191.73251 11.77246 3.26040 -190.17616 1193.82701
195.0000 -206.96909 -192.15651 14.81259 3.20270 -191.30040 1152.32545
200.0000 -203.39824 -190.31884 13.07941 3.17370 -191.86535 1138.98175
205.0000 -202.98511 -191.18083 11.80428 3.20449 -191.26544 1164.02808
210.0000 -201.22481 -189.54920 11.67561 3.25050 -190.36912 1180.58076
215.0000 -203.05524 -187.93335 15.12189 3.32506 -188.91636 1258.69936
220.0000 -204.96959 -192.10455 12.86504 3.18944 -191.55867 1123.01420
225.0000 -204.76676 -193.31435 11.45241 3.11251 -193.05751 1103.42849
230.0000 -206.33459 -193.34554 12.98905 3.13591 -192.60167 1116.98471
235.0000 -203.90621 -192.81993 11.08628 3.07985 -193.69401 1062.08075
240.0000 -204.88124 -191.68196 13.19928 3.12983 -192.72019 1100.22358
245.0000 -204.91213 -192.64985 12.26228 3.15311 -192.26648 1141.80904
250.0000 -204.34472 -191.07579 13.26893 3.16327 -192.06854 1151.63037
FREEZING PROCESS: loop number 2 T-loop= 1144.0000000000000
main_MD> interactions number 2 at Temperature= 1144.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.78009 2.17986 5.61244
force_rgl> df(natom) -1.41455 -0.81291 0.61740
255.0000 -205.53827 -192.89417 12.64410 3.18390 -191.66669 1160.44384
260.0000 -205.20226 -192.31647 12.88579 3.16069 -192.11890 1142.06061
265.0000 -207.33303 -194.57273 12.76030 3.07331 -193.82129 1091.86227
270.0000 -205.94737 -192.97431 12.97306 3.06508 -193.98176 1089.94126
275.0000 -206.37146 -192.81260 13.55886 3.12226 -192.86760 1153.71565
280.0000 -204.73139 -193.49824 11.23315 3.09721 -193.35562 1078.09474
285.0000 -204.98831 -190.94108 14.04723 3.19695 -191.41243 1159.87831
290.0000 -205.02144 -192.56600 12.45544 3.22244 -190.91580 1154.33335
295.0000 -206.59464 -193.77613 12.81851 3.10521 -193.19987 1120.19924
300.0000 -204.81869 -191.14433 13.67436 3.09234 -193.45062 1111.83235
305.0000 -205.74755 -192.78041 12.96714 3.12297 -192.85378 1108.47976
310.0000 -207.43787 -194.13411 13.30376 3.09999 -193.30145 1120.78400
315.0000 -205.13829 -193.39128 11.74701 3.10831 -193.13950 1127.13028
320.0000 -206.19849 -193.19290 13.00559 3.09326 -193.43258 1101.42164
325.0000 -203.41143 -190.28241 13.12902 3.15118 -192.30427 1123.76418
330.0000 -202.32192 -188.73567 13.58624 3.30246 -189.35671 1224.66632
335.0000 -204.02799 -191.82076 12.20722 3.19842 -191.38380 1138.51651
340.0000 -203.33726 -189.92643 13.41083 3.18181 -191.70734 1120.19041
345.0000 -202.36256 -191.35602 11.00654 3.27333 -189.92435 1192.69518
350.0000 -203.72770 -189.88944 13.83826 3.26361 -190.11360 1198.05749
355.0000 -201.15955 -188.16918 12.99038 3.29450 -189.51190 1210.63546
360.0000 -202.40763 -190.52974 11.87789 3.29968 -189.41088 1222.80638
365.0000 -203.76442 -191.65773 12.10670 3.27397 -189.91176 1203.19970
370.0000 -205.66912 -194.41902 11.25010 3.11040 -193.09871 1083.80179
375.0000 -204.15210 -191.13556 13.01655 3.08941 -193.50774 1105.10488
380.0000 -204.87413 -190.91485 13.95928 3.19130 -191.52256 1163.16339
385.0000 -204.63495 -191.49297 13.14198 3.19734 -191.40483 1167.85002
390.0000 -203.22463 -190.23946 12.98517 3.21247 -191.11010 1201.06006
395.0000 -204.13849 -190.91571 13.22278 3.23199 -190.72965 1218.84087
400.0000 -205.73244 -194.94728 10.78516 3.19653 -191.42065 1196.53655
405.0000 -205.71458 -193.65953 12.05505 3.11563 -192.99681 1104.88544
410.0000 -203.90387 -193.76483 10.13903 3.11731 -192.96402 1125.84183
415.0000 -207.15773 -194.24713 12.91061 3.07874 -193.71557 1094.06391
420.0000 -205.26187 -191.53692 13.72494 3.12992 -192.71830 1115.22893
425.0000 -204.79289 -192.90830 11.88459 3.11965 -192.91850 1125.34995
430.0000 -202.83047 -191.23575 11.59471 3.18686 -191.60897 1155.62385
435.0000 -204.78815 -191.53583 13.25233 3.24665 -190.44411 1169.10223
440.0000 -204.75143 -191.13701 13.61442 3.22149 -190.93423 1160.46417
445.0000 -204.47718 -192.20331 12.27387 3.20382 -191.27859 1175.15872
450.0000 -201.75102 -189.03744 12.71358 3.24851 -190.40794 1218.66354
455.0000 -203.79610 -190.47488 13.32123 3.23882 -190.59669 1169.10797
460.0000 -204.59892 -191.46151 13.13741 3.27174 -189.95530 1218.36435
465.0000 -204.77389 -193.04356 11.73033 3.17430 -191.85371 1175.57877
470.0000 -207.16018 -195.84388 11.31630 2.98042 -195.63121 1024.02245
475.0000 -205.85135 -194.39329 11.45805 3.00690 -195.11515 1040.59623
480.0000 -205.62006 -194.29531 11.32475 3.03847 -194.50011 1054.29663
485.0000 -203.81939 -192.33764 11.48176 3.15769 -192.17726 1121.05996
490.0000 -205.56809 -193.41879 12.14930 3.11303 -193.04754 1078.75083
495.0000 -203.54459 -190.86420 12.68039 3.21574 -191.04635 1185.40287
500.0000 -206.18402 -192.10633 14.07770 3.29088 -189.58234 1221.01313
FREEZING PROCESS: loop number 3 T-loop= 1119.0000000000000
main_MD> interactions number 3 at Temperature= 1119.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.88814 -1.50198 -2.63876
force_rgl> df(natom) -2.65907 -0.71713 0.67584
505.0000 -204.23235 -191.17750 13.05485 3.18135 -191.71643 1147.78541
510.0000 -205.69440 -192.89462 12.79978 3.16172 -192.09878 1134.05810
515.0000 -205.79345 -193.41393 12.37952 3.13277 -192.66288 1119.75914
520.0000 -205.89436 -194.06965 11.82471 3.09542 -193.39062 1119.57365
525.0000 -203.77985 -191.25772 12.52212 3.16712 -191.99356 1118.01939
530.0000 -206.42505 -193.05177 13.37329 3.15449 -192.23964 1119.36106
535.0000 -206.07190 -193.45928 12.61261 3.11508 -193.00749 1139.57615
540.0000 -206.35099 -193.84742 12.50357 3.15680 -192.19466 1153.86391
545.0000 -205.15851 -195.19220 9.96632 3.06348 -194.01290 1079.36568
550.0000 -203.28040 -191.85936 11.42104 3.08254 -193.64155 1082.02304
555.0000 -203.93876 -191.37024 12.56852 3.25647 -190.25272 1202.83777
560.0000 -205.46333 -192.40024 13.06309 3.17647 -191.81142 1150.67680
565.0000 -207.23574 -194.67168 12.56406 3.12991 -192.71854 1117.92876
570.0000 -203.97957 -191.47474 12.50483 3.08692 -193.55608 1102.18907
575.0000 -204.02479 -191.63761 12.38717 3.16327 -192.06860 1109.46738
580.0000 -205.94473 -191.29288 14.65184 3.20097 -191.33412 1155.36247
585.0000 -206.11323 -192.99345 13.11978 3.11332 -193.04174 1100.20680
590.0000 -205.76161 -193.18319 12.57842 3.13571 -192.60567 1137.66298
595.0000 -205.17505 -191.95250 13.22256 3.11393 -193.02997 1109.86466
600.0000 -205.67443 -191.59567 14.07876 3.21076 -191.14329 1175.81312
605.0000 -204.50629 -192.77478 11.73152 3.15821 -192.16717 1124.16230
610.0000 -205.74360 -194.66460 11.07900 3.08822 -193.53083 1095.43106
615.0000 -205.47803 -191.55014 13.92789 3.09100 -193.47675 1106.91844
620.0000 -205.66823 -193.42692 12.24131 3.11871 -192.93676 1155.96890
625.0000 -203.97384 -192.59969 11.37415 3.04962 -194.28291 1057.35734
630.0000 -203.56159 -189.28336 14.27822 3.19594 -191.43213 1175.44023
635.0000 -204.14217 -189.99338 14.14879 3.29056 -189.58861 1246.67125
640.0000 -205.42003 -193.17841 12.24161 3.10128 -193.27645 1109.34510
645.0000 -204.14376 -192.39809 11.74567 3.09727 -193.35449 1089.39358
650.0000 -206.37816 -194.06025 12.31791 3.11168 -193.07380 1117.60280
655.0000 -209.01384 -197.98434 11.02950 2.95748 -196.07805 1027.45346
660.0000 -207.70680 -196.19187 11.51494 2.94300 -196.36029 985.12011
665.0000 -208.68354 -197.38974 11.29380 2.98843 -195.47503 1005.07069
670.0000 -204.67976 -192.42463 12.25513 3.07455 -193.79710 1078.26366
675.0000 -206.55017 -191.84115 14.70901 3.16685 -191.99887 1161.74494
680.0000 -205.76449 -192.26880 13.49569 3.12143 -192.88386 1115.97653
685.0000 -206.80899 -194.66410 12.14489 3.07103 -193.86572 1069.59277
690.0000 -206.39029 -192.87215 13.51814 3.10299 -193.24306 1119.14656
695.0000 -206.29688 -190.99554 15.30135 3.16385 -192.05729 1175.15141
700.0000 -204.23737 -189.47091 14.76647 3.30329 -189.34057 1238.88640
705.0000 -204.42433 -191.03374 13.39059 3.25318 -190.31685 1199.82226
710.0000 -203.46677 -188.90566 14.56111 3.28391 -189.71811 1219.35652
715.0000 -201.48277 -189.88691 11.59587 3.28118 -189.77124 1196.79308
720.0000 -206.75594 -194.39147 12.36447 3.14849 -192.35660 1132.49048
725.0000 -205.01748 -193.21935 11.79813 3.12127 -192.88698 1105.46538
730.0000 -204.07845 -191.24018 12.83827 3.18867 -191.57376 1156.29842
735.0000 -204.18138 -190.85660 13.32478 3.19965 -191.35982 1163.45768
740.0000 -204.03073 -191.09263 12.93810 3.17187 -191.90108 1154.12457
745.0000 -204.32888 -191.45399 12.87490 3.22412 -190.88303 1209.64900
750.0000 -206.59500 -194.46151 12.13349 3.05036 -194.26846 1086.54928
FREEZING PROCESS: loop number 4 T-loop= 1094.0000000000000
main_MD> interactions number 4 at Temperature= 1094.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93049 -0.24307 -1.44658
force_rgl> df(natom) 1.59360 -6.23959 -0.05187
755.0000 -207.46793 -195.72837 11.73956 3.04036 -194.46336 1051.72962
760.0000 -207.10716 -196.35582 10.75134 2.93660 -196.48495 986.67013
765.0000 -204.68649 -193.26267 11.42382 3.03159 -194.63415 1017.55376
770.0000 -207.18908 -193.65733 13.53175 3.10134 -193.27522 1105.12943
775.0000 -204.66267 -190.41831 14.24435 3.17998 -191.74302 1159.79989
780.0000 -204.70307 -191.44849 13.25458 3.23601 -190.65134 1177.75886
785.0000 -204.15736 -193.08171 11.07565 3.15511 -192.22759 1118.01317
790.0000 -204.39822 -191.26764 13.13058 3.16354 -192.06341 1146.76893
795.0000 -205.53260 -191.28679 14.24581 3.25182 -190.34340 1233.07332
800.0000 -203.59617 -190.68164 12.91453 3.24802 -190.41744 1191.03537
805.0000 -207.62309 -195.57718 12.04591 3.12071 -192.89776 1118.59142
810.0000 -208.35433 -195.31937 13.03496 2.94885 -196.24632 1001.28391
815.0000 -205.35974 -194.57784 10.78190 2.98311 -195.57878 1039.95655
820.0000 -205.94848 -193.86787 12.08061 3.07237 -193.83961 1071.70584
825.0000 -203.67971 -191.73645 11.94326 3.14361 -192.45172 1135.90653
830.0000 -203.10548 -190.44768 12.65779 3.18021 -191.73853 1155.91957
835.0000 -205.69081 -193.18624 12.50457 3.14856 -192.35516 1147.65985
840.0000 -201.84871 -189.85218 11.99654 3.23343 -190.70162 1196.21820
845.0000 -207.25452 -195.44556 11.80897 3.13712 -192.57809 1143.66664
850.0000 -206.38147 -194.46634 11.91513 3.00478 -195.15650 1039.60006
855.0000 -208.63793 -198.47907 10.15885 2.97588 -195.71954 1026.88392
860.0000 -207.09870 -195.76253 11.33617 2.95026 -196.21888 1010.35827
865.0000 -208.61007 -198.02150 10.58857 2.93030 -196.60772 999.33560
870.0000 -208.10425 -198.62644 9.47781 2.85077 -198.15722 942.98324
875.0000 -206.77809 -196.35647 10.42162 2.90211 -197.15695 958.31176
880.0000 -205.79553 -192.83902 12.95651 3.05797 -194.12032 1074.58189
885.0000 -203.94098 -193.07794 10.86304 3.12484 -192.81734 1130.50970
890.0000 -205.34683 -191.78734 13.55949 3.12678 -192.77966 1089.75401
895.0000 -205.64363 -193.61961 12.02402 3.15786 -192.17393 1133.29585
900.0000 -206.72441 -194.66332 12.06109 3.03147 -194.63650 1044.40110
905.0000 -206.18964 -194.63303 11.55661 3.02564 -194.75011 1050.38095
910.0000 -207.27065 -195.02911 12.24154 3.02534 -194.75593 1076.50215
915.0000 -207.39839 -196.03135 11.36704 2.97465 -195.74353 1027.28939
920.0000 -206.58766 -196.03695 10.55070 2.94553 -196.31088 993.19027
925.0000 -203.94955 -193.04806 10.90149 3.01881 -194.88327 1051.16208
930.0000 -206.94919 -193.70115 13.24804 3.08192 -193.65367 1101.99630
935.0000 -206.91959 -196.20938 10.71022 3.04762 -194.32189 1077.74441
940.0000 -206.39775 -196.72277 9.67497 2.96468 -195.93778 1015.30173
945.0000 -206.06609 -192.06696 13.99913 3.07156 -193.85547 1080.87599
950.0000 -204.86369 -191.93377 12.92991 3.12593 -192.79616 1123.84954
955.0000 -205.01022 -192.27849 12.73173 3.11810 -192.94860 1133.09475
960.0000 -207.34079 -195.15104 12.18975 3.08884 -193.51872 1099.69306
965.0000 -204.15931 -189.47867 14.68064 3.18356 -191.67338 1180.40340
970.0000 -202.77938 -189.69137 13.08801 3.28896 -189.61979 1221.60091
975.0000 -206.43887 -195.37475 11.06413 3.15385 -192.25213 1116.40612
980.0000 -206.67675 -194.27361 12.40314 3.04586 -194.35613 1036.19009
985.0000 -208.27499 -195.13396 13.14103 3.02201 -194.82076 1034.30142
990.0000 -204.10460 -191.72782 12.37678 3.12209 -192.87094 1132.89256
995.0000 -203.17981 -190.50392 12.67589 3.22542 -190.85768 1185.56033
1000.0000 -203.25302 -190.61215 12.64087 3.16799 -191.97671 1144.42647
FREEZING PROCESS: loop number 5 T-loop= 1069.0000000000000
main_MD> interactions number 5 at Temperature= 1069.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47765 2.57882 -0.37740
force_rgl> df(natom) 5.40218 4.74222 1.76438
1005.0000 -205.16585 -192.76026 12.40560 3.16042 -192.12414 1126.12674
1010.0000 -207.12337 -194.32387 12.79950 3.05148 -194.24661 1089.73059
1015.0000 -206.93155 -194.37572 12.55584 3.04537 -194.36572 1083.48878
1020.0000 -207.82596 -195.74478 12.08118 3.02874 -194.68980 1068.60219
1025.0000 -207.03197 -196.09987 10.93210 2.94520 -196.31735 1017.00894
1030.0000 -204.16497 -192.90138 11.26359 3.03441 -194.57930 1039.28847
1035.0000 -205.74598 -193.61998 12.12600 3.18750 -191.59660 1172.54759
1040.0000 -204.60496 -193.56729 11.03767 3.04757 -194.32292 1060.91282
1045.0000 -205.75652 -192.63032 13.12621 3.10102 -193.28154 1090.62544
1050.0000 -204.62004 -192.58950 12.03054 3.15778 -192.17559 1145.31507
1055.0000 -204.60733 -193.94718 10.66015 3.08613 -193.57158 1107.29146
1060.0000 -205.20409 -194.20651 10.99758 3.11903 -192.93050 1144.73832
1065.0000 -205.28643 -193.78401 11.50242 3.02027 -194.85483 1033.42809
1070.0000 -206.80070 -195.28993 11.51077 3.08178 -193.65627 1050.80473
1075.0000 -207.00512 -193.73534 13.26978 3.02926 -194.67962 1008.33517
1080.0000 -205.12554 -194.94944 10.17610 3.07533 -193.78209 1065.70025
1085.0000 -208.10286 -195.41145 12.69141 3.05226 -194.23138 1068.98479
1090.0000 -205.41584 -194.73366 10.68218 3.08447 -193.60382 1089.60620
1095.0000 -207.32763 -195.71288 11.61475 3.03730 -194.52293 1070.89555
1100.0000 -207.24932 -194.10398 13.14534 2.98748 -195.49359 1044.50894
1105.0000 -205.71917 -192.93107 12.78810 3.10088 -193.28414 1106.22783
1110.0000 -207.29404 -194.94279 12.35125 3.06846 -193.91585 1101.60814
1115.0000 -207.25221 -196.70615 10.54607 3.03013 -194.66272 1045.59158
1120.0000 -205.76367 -195.10450 10.65917 2.94812 -196.26053 1006.31827
1125.0000 -207.56063 -197.37773 10.18290 2.98251 -195.59054 1032.82826
1130.0000 -206.55585 -195.12046 11.43539 2.95206 -196.18370 1021.64232
1135.0000 -205.19976 -192.79739 12.40238 3.01692 -194.91994 1055.75517
1140.0000 -206.05236 -194.16164 11.89073 3.09781 -193.34396 1077.63001
1145.0000 -204.40052 -192.32585 12.07467 3.09067 -193.48312 1099.54441
1150.0000 -207.64898 -194.09587 13.55312 3.09108 -193.47509 1112.66510
1155.0000 -205.34687 -192.41436 12.93251 3.10479 -193.20795 1115.97877
1160.0000 -207.96203 -196.95666 11.00537 2.98782 -195.48701 1033.10542
1165.0000 -209.85958 -199.65974 10.19984 2.84670 -198.23659 940.21420
1170.0000 -208.89689 -197.16541 11.73148 2.85255 -198.12242 945.73538
1175.0000 -207.21434 -194.81025 12.40409 2.95699 -196.08762 1013.79284
1180.0000 -207.58439 -198.35703 9.22736 2.95261 -196.17293 1033.67469
1185.0000 -207.30432 -197.48038 9.82394 2.86264 -197.92590 945.88490
1190.0000 -207.16265 -196.65784 10.50481 2.90161 -197.16658 972.05621
1195.0000 -207.28604 -196.85250 10.43354 2.91619 -196.88263 984.77803
1200.0000 -207.05348 -195.53413 11.51935 2.97809 -195.67658 1011.92258
1205.0000 -206.63130 -193.47666 13.15465 3.05232 -194.23032 1077.35189
1210.0000 -206.50174 -192.66666 13.83509 3.05891 -194.10186 1061.65607
1215.0000 -207.81469 -196.20688 11.60782 3.03399 -194.58744 1051.92772
1220.0000 -208.75920 -194.30762 14.45158 3.01905 -194.87844 1050.00978
1225.0000 -206.91058 -195.80388 11.10670 2.96919 -195.84996 1011.12376
1230.0000 -205.76895 -193.85963 11.90931 3.04653 -194.34303 1061.67315
1235.0000 -208.14990 -195.95060 12.19930 2.99920 -195.26529 1040.95242
1240.0000 -205.05592 -194.10347 10.95245 3.00997 -195.05547 1051.78402
1245.0000 -208.01118 -197.15743 10.85375 2.98128 -195.61445 1033.54912
1250.0000 -206.71092 -196.02113 10.68979 2.95409 -196.14408 1015.03456
FREEZING PROCESS: loop number 6 T-loop= 1044.0000000000000
main_MD> interactions number 6 at Temperature= 1044.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.37263 -5.08779 -0.96603
force_rgl> df(natom) 1.03594 1.07701 -0.85084
1255.0000 -207.52696 -196.92309 10.60387 2.91017 -196.99980 972.37131
1260.0000 -205.52077 -193.49551 12.02526 3.04504 -194.37223 1018.21030
1265.0000 -206.04160 -193.59887 12.44273 3.04880 -194.29887 1050.50460
1270.0000 -203.88536 -191.98671 11.89866 3.14970 -192.33295 1127.26746
1275.0000 -208.32529 -195.88227 12.44302 3.03552 -194.55758 1073.16435
1280.0000 -207.83530 -196.69939 11.13590 2.97136 -195.80778 1042.58765
1285.0000 -207.89370 -196.02800 11.86570 2.96115 -196.00657 1023.96008
1290.0000 -208.62222 -195.82665 12.79557 2.96232 -195.98388 1059.45859
1295.0000 -204.73016 -193.41055 11.31962 2.98299 -195.58103 1022.38931
1300.0000 -205.69876 -193.94225 11.75651 3.13156 -192.68646 1114.06480
1305.0000 -205.96461 -192.63474 13.32987 3.07997 -193.69165 1079.79543
1310.0000 -206.21204 -194.22712 11.98492 3.05494 -194.17935 1061.44030
1315.0000 -206.47473 -195.55109 10.92364 3.04270 -194.41773 1032.66302
1320.0000 -207.50446 -194.72227 12.78219 2.99065 -195.43189 1033.70947
1325.0000 -206.97907 -195.10303 11.87604 2.97342 -195.76763 1018.96250
1330.0000 -205.23395 -194.39685 10.83710 3.05451 -194.18768 1066.89062
1335.0000 -204.88959 -193.37440 11.51519 3.04603 -194.35295 1044.87888
1340.0000 -204.31954 -193.70047 10.61908 3.06449 -193.99329 1053.44100
1345.0000 -205.80819 -195.35131 10.45688 3.04898 -194.29543 1069.19753
1350.0000 -207.59272 -196.08154 11.51118 3.01518 -194.95399 1019.86571
1355.0000 -205.57631 -194.18154 11.39476 2.95044 -196.21521 1018.82180
1360.0000 -204.98659 -194.65950 10.32709 3.03311 -194.60459 1047.00105
1365.0000 -206.07267 -193.98857 12.08410 3.04412 -194.39005 1080.10381
1370.0000 -207.11679 -195.22543 11.89135 3.04525 -194.36813 1057.43141
1375.0000 -208.90813 -198.30168 10.60645 2.90943 -197.01427 989.03422
1380.0000 -210.67643 -200.56989 10.10654 2.81800 -198.79564 921.65218
1385.0000 -208.89396 -198.85839 10.03557 2.80901 -198.97074 907.92525
1390.0000 -209.28706 -199.68628 9.60078 2.74712 -200.17669 891.38523
1395.0000 -205.73937 -194.74568 10.99369 2.93773 -196.46294 983.55181
1400.0000 -205.74631 -192.43760 13.30871 3.10169 -193.26835 1085.61734
1405.0000 -206.22293 -194.50911 11.71382 3.02064 -194.84757 1049.95603
1410.0000 -205.71398 -195.37140 10.34258 2.98821 -195.47944 1019.34137
1415.0000 -203.15082 -191.62518 11.52565 3.09434 -193.41168 1093.19324
1420.0000 -206.94531 -193.95142 12.99389 3.18009 -191.74086 1136.56302
1425.0000 -204.43652 -192.68357 11.75294 3.12029 -192.90605 1114.77029
1430.0000 -206.67776 -195.60629 11.07147 3.00406 -195.17066 1066.89639
1435.0000 -206.71662 -196.14574 10.57088 2.94160 -196.38752 995.04260
1440.0000 -209.71843 -198.66414 11.05429 2.87706 -197.64495 972.03746
1445.0000 -206.35927 -196.15249 10.20678 2.92395 -196.73145 983.75316
1450.0000 -208.01640 -196.34760 11.66880 2.93770 -196.46342 998.74095
1455.0000 -206.18933 -193.90367 12.28565 3.06692 -193.94575 1079.30765
1460.0000 -205.71578 -195.76872 9.94706 3.02757 -194.71243 1086.58116
1465.0000 -209.77757 -198.82629 10.95128 2.90591 -197.08282 986.75506
1470.0000 -207.74094 -195.03152 12.70941 2.90612 -197.07871 978.70822
1475.0000 -208.75477 -196.40768 12.34710 2.96416 -195.94799 1032.64526
1480.0000 -207.17405 -195.60659 11.56746 2.97089 -195.81678 1030.51578
1485.0000 -209.04505 -196.40339 12.64165 2.98385 -195.56438 1045.34299
1490.0000 -208.12974 -195.01687 13.11287 2.96426 -195.94608 1051.70131
1495.0000 -205.19559 -193.46554 11.73005 2.98793 -195.48490 1037.80082
1500.0000 -202.62586 -189.76525 12.86061 3.11106 -193.08593 1130.62525
FREEZING PROCESS: loop number 7 T-loop= 1019.0000000000000
main_MD> interactions number 7 at Temperature= 1019.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02134 2.32770 -0.11464
force_rgl> df(natom) -0.04011 1.49169 -0.55035
1505.0000 -205.22921 -194.08731 11.14190 3.09789 -193.34241 1089.45757
1510.0000 -206.70550 -195.18783 11.51768 3.07296 -193.82824 1069.68689
1515.0000 -207.10003 -197.12184 9.97820 2.96427 -195.94582 1011.41504
1520.0000 -206.99526 -194.27109 12.72417 2.99190 -195.40749 1029.92234
1525.0000 -208.56367 -197.75123 10.81244 2.98620 -195.51860 1030.79755
1530.0000 -209.79106 -198.75406 11.03700 2.89332 -197.32824 963.12230
1535.0000 -208.31078 -198.00629 10.30450 2.83348 -198.49403 936.37516
1540.0000 -206.41300 -195.16670 11.24629 2.93072 -196.59942 997.84244
1545.0000 -206.09886 -195.19100 10.90786 2.97983 -195.64268 1022.35267
1550.0000 -206.61108 -195.20701 11.40407 3.03406 -194.58604 1046.06827
1555.0000 -207.64152 -196.68155 10.95997 2.92523 -196.70639 963.73926
1560.0000 -207.26523 -196.92169 10.34354 2.93304 -196.55438 1006.75161
1565.0000 -207.62633 -196.64155 10.98478 2.91569 -196.89234 980.35147
1570.0000 -208.65088 -198.10477 10.54611 2.88290 -197.53116 975.40733
1575.0000 -205.94167 -195.32051 10.62116 2.83994 -198.36817 951.54410
1580.0000 -207.06890 -195.66864 11.40025 2.94999 -196.22398 1001.65466
1585.0000 -206.77454 -194.69529 12.07925 3.00927 -195.06910 1068.12416
1590.0000 -206.51895 -194.60568 11.91327 3.08334 -193.62594 1089.38365
1595.0000 -205.61779 -194.22707 11.39072 3.03170 -194.63211 1047.67997
1600.0000 -206.70680 -195.60393 11.10287 3.04672 -194.33943 1062.07434
1605.0000 -207.74558 -194.95460 12.79099 2.97121 -195.81060 1014.59704
1610.0000 -206.30985 -194.27273 12.03711 3.02908 -194.68307 1049.30809
1615.0000 -206.72730 -193.64393 13.08337 3.05743 -194.13082 1078.61571
1620.0000 -207.65055 -195.49125 12.15930 3.00565 -195.13969 1033.11079
1625.0000 -207.83311 -196.37749 11.45562 3.03667 -194.53518 1070.82759
1630.0000 -205.91160 -195.26544 10.64616 2.95447 -196.13680 1016.63617
1635.0000 -205.36687 -195.22548 10.14138 3.00738 -195.10584 1041.50595
1640.0000 -207.09755 -195.61680 11.48075 3.00882 -195.07781 1022.91623
1645.0000 -207.08156 -196.22863 10.85293 3.06028 -194.07514 1096.73148
1650.0000 -206.55675 -196.00246 10.55429 2.95939 -196.04087 1004.17012
1655.0000 -206.13885 -194.38028 11.75857 3.01608 -194.93632 1067.92894
1660.0000 -204.35771 -193.30169 11.05602 3.08670 -193.56051 1097.38056
1665.0000 -206.13502 -194.39669 11.73833 3.08731 -193.54868 1075.27694
1670.0000 -207.05887 -195.51399 11.54487 2.99656 -195.31674 1029.63699
1675.0000 -208.12960 -195.84885 12.28075 3.00625 -195.12798 1046.21184
1680.0000 -207.51960 -194.99289 12.52671 3.03088 -194.64810 1081.38271
1685.0000 -205.54909 -194.30570 11.24339 3.03836 -194.50227 1045.97851
1690.0000 -206.76995 -194.76899 12.00096 3.10031 -193.29521 1097.45637
1695.0000 -206.22664 -193.74726 12.47939 3.00104 -195.22950 1037.31747
1700.0000 -207.74051 -196.34273 11.39778 2.97408 -195.75472 1011.95507
1705.0000 -208.19643 -195.61855 12.57788 2.97488 -195.73905 1019.47376
1710.0000 -204.17585 -192.51448 11.66138 3.03733 -194.52236 1071.22945
1715.0000 -209.32257 -196.42610 12.89647 2.96931 -195.84754 1002.42409
1720.0000 -204.99606 -193.58291 11.41315 2.95486 -196.12925 1000.23967
1725.0000 -208.96807 -197.12659 11.84147 2.96526 -195.92653 1004.02635
1730.0000 -210.15556 -199.87980 10.27576 2.82243 -198.70926 925.58790
1735.0000 -207.06695 -194.85887 12.20807 2.87212 -197.74121 950.88343
1740.0000 -206.72641 -195.09195 11.63446 2.94109 -196.39753 1018.45646
1745.0000 -207.99731 -197.04313 10.95418 2.92301 -196.74978 1000.54475
1750.0000 -207.63927 -197.55724 10.08202 2.89479 -197.29946 967.20360
FREEZING PROCESS: loop number 8 T-loop= 994.00000000000000
main_MD> interactions number 8 at Temperature= 994.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56448 3.69191 -2.72227
force_rgl> df(natom) 2.69100 1.64750 -0.72785
1755.0000 -208.52045 -197.91731 10.60314 2.94115 -196.39624 984.37676
1760.0000 -208.68472 -198.15626 10.52846 2.84460 -198.27737 938.61190
1765.0000 -207.19635 -196.67337 10.52298 2.92787 -196.65498 1020.45488
1770.0000 -209.09458 -198.09707 10.99750 2.84752 -198.22052 932.04460
1775.0000 -206.93221 -196.01563 10.91658 2.90368 -197.12627 983.73027
1780.0000 -205.70720 -192.34930 13.35790 3.04826 -194.30950 1053.77731
1785.0000 -208.19378 -196.19938 11.99440 3.01811 -194.89687 1054.58352
1790.0000 -206.48828 -195.67977 10.80851 2.94406 -196.33961 994.97392
1795.0000 -208.70014 -196.00769 12.69245 2.97224 -195.79050 1027.09999
1800.0000 -206.70818 -195.85982 10.84836 3.05316 -194.21392 1104.57801
1805.0000 -206.36313 -194.11072 12.25241 2.97847 -195.66925 1039.85206
1810.0000 -207.60011 -195.46650 12.13361 3.02481 -194.76620 1043.86587
1815.0000 -208.92605 -197.81426 11.11179 2.92875 -196.63792 1004.26143
1820.0000 -210.15155 -199.92710 10.22445 2.80497 -199.04958 915.15292
1825.0000 -208.06627 -197.15304 10.91323 2.86027 -197.97205 948.11093
1830.0000 -207.07349 -195.49866 11.57484 2.89057 -197.38175 986.43715
1835.0000 -206.04052 -193.11103 12.92949 3.02103 -194.84000 1076.62642
1840.0000 -206.91744 -195.46754 11.44990 3.03467 -194.57411 1085.58285
1845.0000 -207.67885 -194.76966 12.90920 3.00446 -195.16271 1059.07269
1850.0000 -205.79894 -195.38008 10.41886 3.01752 -194.90836 1069.38461
1855.0000 -208.32347 -197.65027 10.67319 2.91081 -196.98732 982.72105
1860.0000 -209.11811 -197.26616 11.85196 2.86488 -197.88238 967.96359
1865.0000 -208.61503 -196.99989 11.61515 2.89569 -197.28208 995.03219
1870.0000 -208.35571 -196.92807 11.42764 2.87183 -197.74694 943.00739
1875.0000 -204.78472 -195.35956 9.42515 2.99821 -195.28454 1031.15139
1880.0000 -205.91567 -194.56324 11.35243 2.95664 -196.09440 1015.67247
1885.0000 -206.25281 -194.71803 11.53478 3.06908 -193.90376 1084.78969
1890.0000 -205.43889 -195.04971 10.38918 3.01173 -195.02112 1019.60981
1895.0000 -206.60158 -194.81282 11.78877 2.94951 -196.23344 984.43022
1900.0000 -204.62788 -193.77904 10.84884 3.05957 -194.08905 1088.30801
1905.0000 -205.47278 -193.45953 12.01325 3.10696 -193.16564 1076.59529
1910.0000 -207.03780 -195.87750 11.16030 3.05786 -194.12237 1056.88993
1915.0000 -209.34529 -198.65376 10.69153 2.93598 -196.49706 1001.39492
1920.0000 -207.77918 -197.89405 9.88512 2.84764 -198.21809 964.65451
1925.0000 -207.66670 -197.97431 9.69238 2.81650 -198.82494 914.42884
1930.0000 -207.38771 -198.62025 8.76746 2.83881 -198.39027 912.45917
1935.0000 -209.43666 -198.56248 10.87418 2.83356 -198.49247 929.44270
1940.0000 -206.44246 -196.97663 9.46583 2.87298 -197.72440 963.71874
1945.0000 -207.07254 -194.68789 12.38465 2.97476 -195.74147 1050.48173
1950.0000 -206.74132 -195.94515 10.79617 2.99479 -195.35120 1031.36549
1955.0000 -206.39396 -196.21187 10.18209 2.91755 -196.85604 972.14401
1960.0000 -208.26717 -197.46665 10.80052 2.91501 -196.90551 994.17291
1965.0000 -207.95859 -198.63115 9.32745 2.84229 -198.32233 954.41258
1970.0000 -208.24471 -197.31909 10.92562 2.87858 -197.61543 967.56163
1975.0000 -206.75738 -196.60262 10.15476 2.88685 -197.45417 960.99977
1980.0000 -207.25762 -195.65523 11.60239 2.99066 -195.43160 998.51221
1985.0000 -208.74414 -196.04208 12.70205 2.95909 -196.04666 1005.80161
1990.0000 -206.73578 -196.27887 10.45691 2.93437 -196.52838 1014.22842
1995.0000 -204.39283 -191.43455 12.95827 3.03845 -194.50054 1055.07554
2000.0000 -207.87129 -195.80109 12.07020 3.08644 -193.56546 1108.28953
FREEZING PROCESS: loop number 9 T-loop= 969.00000000000000
main_MD> interactions number 9 at Temperature= 969.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33865 -3.10652 -1.12151
force_rgl> df(natom) -1.36414 1.87021 -0.70997
2005.0000 -209.93719 -198.41411 11.52308 2.85303 -198.11325 957.08005
2010.0000 -210.83739 -200.61150 10.22589 2.76857 -199.75878 928.60496
2015.0000 -208.38902 -197.53663 10.85239 2.77554 -199.62303 906.52917
2020.0000 -208.78679 -199.12051 9.66628 2.81560 -198.84234 904.88889
2025.0000 -208.16351 -198.84402 9.31949 2.82874 -198.58638 915.92747
2030.0000 -209.99681 -199.92930 10.06751 2.79376 -199.26789 874.68508
2035.0000 -208.58229 -198.24816 10.33413 2.80104 -199.12609 915.90088
2040.0000 -208.52742 -198.90921 9.61821 2.87478 -197.68930 986.47682
2045.0000 -207.83639 -196.94689 10.88951 2.89433 -197.30843 941.79539
2050.0000 -207.46308 -196.50067 10.96241 2.90133 -197.17212 962.60134
2055.0000 -206.93730 -195.27324 11.66406 2.93396 -196.53633 981.06239
2060.0000 -207.62145 -197.10215 10.51931 2.93854 -196.44714 989.86873
2065.0000 -205.05004 -195.44750 9.60254 2.91250 -196.95458 973.20478
2070.0000 -206.07182 -194.45416 11.61766 2.99895 -195.27017 1037.92486
2075.0000 -209.39636 -196.91456 12.48180 3.03019 -194.66155 1058.52774
2080.0000 -206.73569 -195.74113 10.99456 2.96914 -195.85087 977.88148
2085.0000 -206.98113 -197.11726 9.86387 2.89061 -197.38099 994.06420
2090.0000 -208.18935 -196.73641 11.45294 2.92104 -196.78813 1005.70279
2095.0000 -208.27523 -197.06225 11.21298 2.96250 -195.98032 1020.04165
2100.0000 -209.22755 -198.34642 10.88113 2.83124 -198.53763 941.34834
2105.0000 -205.56003 -196.30934 9.25069 2.91765 -196.85416 988.21742
2110.0000 -209.11990 -197.84558 11.27432 2.89274 -197.33940 939.28290
2115.0000 -208.09154 -198.08632 10.00522 2.87989 -197.58993 947.87032
2120.0000 -207.07123 -197.02488 10.04635 2.88592 -197.47234 957.38914
2125.0000 -208.58200 -197.31739 11.26461 2.91960 -196.81607 988.53076
2130.0000 -208.31092 -197.32050 10.99042 2.90938 -197.01521 963.03246
2135.0000 -207.22756 -196.88926 10.33829 2.94978 -196.22809 1002.33585
2140.0000 -207.25635 -198.64250 8.61385 2.91313 -196.94215 984.75591
2145.0000 -209.53951 -198.84893 10.69059 2.78322 -199.47336 884.11129
2150.0000 -207.35973 -197.58867 9.77106 2.86051 -197.96741 925.51773
2155.0000 -209.43973 -199.29381 10.14592 2.83927 -198.38131 957.35591
2160.0000 -206.38052 -196.48244 9.89808 2.84247 -198.31892 936.89611
2165.0000 -209.06965 -198.43400 10.63565 2.87758 -197.63487 969.78817
2170.0000 -206.34525 -196.38339 9.96185 2.85343 -198.10528 933.64350
2175.0000 -207.51506 -196.39579 11.11927 2.97046 -195.82530 1021.49181
2180.0000 -208.86133 -197.18440 11.67693 2.90362 -197.12745 976.13943
2185.0000 -207.03315 -198.04442 8.98873 2.89237 -197.34673 960.75465
2190.0000 -209.47937 -199.66797 9.81141 2.85344 -198.10519 962.95473
2195.0000 -208.13194 -198.27757 9.85437 2.83113 -198.53994 947.07464
2200.0000 -204.83287 -193.61369 11.21918 3.01085 -195.03834 1038.48916
2205.0000 -207.29374 -194.76310 12.53064 3.06578 -193.96807 1057.31273
2210.0000 -208.40978 -195.73700 12.67279 2.94756 -196.27138 991.65802
2215.0000 -208.00994 -196.76165 11.24829 2.89922 -197.21325 998.16109
2220.0000 -208.38061 -196.16619 12.21442 2.90259 -197.14752 997.17247
2225.0000 -206.61661 -196.39100 10.22562 2.95431 -196.13987 1012.63461
2230.0000 -208.43906 -198.65256 9.78649 2.91033 -196.99669 953.19051
2235.0000 -207.31349 -195.87864 11.43485 2.83671 -198.43120 920.66928
2240.0000 -207.80808 -198.00800 9.80008 2.94230 -196.37386 993.09137
2245.0000 -208.02290 -196.80274 11.22015 2.89436 -197.30789 983.01145
2250.0000 -210.32797 -197.82064 12.50732 2.85921 -197.99269 983.94652
FREEZING PROCESS: loop number 10 T-loop= 944.00000000000000
main_MD> interactions number 10 at Temperature= 944.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.80795 -2.07868 -0.54590
force_rgl> df(natom) 7.69516 -2.21538 10.46730
2255.0000 -207.50097 -197.39501 10.10596 2.80886 -198.97371 904.79159
2260.0000 -208.36228 -198.04330 10.31898 2.87549 -197.67563 945.95257
2265.0000 -207.46664 -197.94202 9.52461 2.87680 -197.65000 966.03799
2270.0000 -209.35502 -200.01371 9.34131 2.79102 -199.32133 890.39925
2275.0000 -209.58131 -200.43093 9.15037 2.72094 -200.68671 865.99458
2280.0000 -210.61990 -201.17670 9.44320 2.70508 -200.99578 865.64412
2285.0000 -209.63320 -199.35243 10.28077 2.77402 -199.65262 904.80539
2290.0000 -208.24841 -198.09842 10.14999 2.86878 -197.80625 949.24106
2295.0000 -210.93897 -201.70782 9.23115 2.77772 -199.58047 903.39617
2300.0000 -208.98245 -199.32842 9.65403 2.73425 -200.42742 874.81561
2305.0000 -208.42235 -198.71339 9.70896 2.82224 -198.71313 942.21143
2310.0000 -207.16311 -196.32166 10.84144 2.90791 -197.04383 995.16425
2315.0000 -208.93090 -199.07255 9.85835 2.86362 -197.90685 956.50185
2320.0000 -209.24979 -198.91577 10.33402 2.79232 -199.29595 901.30185
2325.0000 -209.19309 -201.09773 8.09536 2.79417 -199.25992 930.91120
2330.0000 -211.48051 -201.08995 10.39057 2.69968 -201.10089 841.38961
2335.0000 -210.51153 -200.65528 9.85625 2.73497 -200.41330 884.59151
2340.0000 -210.94840 -200.89303 10.05537 2.75686 -199.98681 889.50896
2345.0000 -208.69725 -198.99642 9.70083 2.75527 -200.01789 869.16500
2350.0000 -209.32694 -199.69126 9.63568 2.78403 -199.45745 888.31731
2355.0000 -209.30819 -198.36575 10.94244 2.80087 -199.12935 903.85228
2360.0000 -210.72062 -200.48547 10.23516 2.79436 -199.25619 912.90085
2365.0000 -210.21333 -199.83986 10.37347 2.77209 -199.69017 878.56879
2370.0000 -209.91747 -200.12114 9.79633 2.79889 -199.16800 910.79658
2375.0000 -209.37545 -199.40739 9.96806 2.79306 -199.28154 880.35186
2380.0000 -208.83526 -199.81276 9.02250 2.79389 -199.26548 901.52125
2385.0000 -209.10397 -198.61608 10.48789 2.84617 -198.24685 921.19182
2390.0000 -211.14311 -200.62727 10.51584 2.82563 -198.64701 924.93235
2395.0000 -211.37887 -201.88433 9.49454 2.71630 -200.77714 868.05823
2400.0000 -208.99341 -200.63637 8.35704 2.72634 -200.58150 867.09733
2405.0000 -210.38507 -198.34952 12.03555 2.79591 -199.22599 890.75867
2410.0000 -210.45000 -199.96062 10.48937 2.78217 -199.49380 902.83500
2415.0000 -207.84650 -197.08529 10.76120 2.81862 -198.78364 924.33774
2420.0000 -208.44465 -196.82045 11.62420 2.87949 -197.59756 956.02237
2425.0000 -206.83471 -195.84709 10.98762 2.97625 -195.71233 1030.86002
2430.0000 -210.50851 -199.17610 11.33241 2.85990 -197.97935 945.64942
2435.0000 -207.79869 -198.30638 9.49231 2.83021 -198.55772 915.98033
2440.0000 -209.62379 -197.49738 12.12642 2.85078 -198.15699 956.17040
2445.0000 -209.69894 -198.15694 11.54200 2.84665 -198.23739 960.17887
2450.0000 -209.94588 -198.44880 11.49708 2.85460 -198.08252 936.05824
2455.0000 -208.07836 -196.96811 11.11025 2.81588 -198.83688 938.21716
2460.0000 -208.46517 -198.60843 9.85673 2.82324 -198.69351 907.58746
2465.0000 -206.24955 -195.06451 11.18504 2.91547 -196.89652 983.20763
2470.0000 -208.76539 -197.34678 11.41861 2.93489 -196.51833 979.42261
2475.0000 -209.53046 -197.80329 11.72717 2.86171 -197.94400 959.13234
2480.0000 -208.56738 -197.58853 10.97885 2.86356 -197.90793 958.52346
2485.0000 -208.78583 -197.32531 11.46052 2.80722 -199.00563 879.86554
2490.0000 -207.29579 -196.01085 11.28494 2.92708 -196.67038 984.93861
2495.0000 -208.74251 -198.81387 9.92863 2.87248 -197.73418 922.16275
2500.0000 -209.10599 -197.35814 11.74786 2.82974 -198.56695 922.87487
FREEZING PROCESS: loop number 11 T-loop= 919.00000000000000
main_MD> interactions number 11 at Temperature= 919.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.87264 -3.95263 -0.35496
force_rgl> df(natom) -2.55968 -1.05639 4.67551
2505.0000 -209.33535 -196.89434 12.44101 2.89594 -197.27713 993.17856
2510.0000 -207.94107 -198.38463 9.55643 2.91369 -196.93123 999.42638
2515.0000 -209.37230 -199.61366 9.75863 2.80661 -199.01753 923.08887
2520.0000 -208.25270 -197.19908 11.05362 2.78565 -199.42599 899.17824
2525.0000 -208.62397 -198.04738 10.57659 2.87224 -197.73893 937.70560
2530.0000 -208.06538 -198.28366 9.78171 2.86533 -197.87343 974.99955
2535.0000 -209.33192 -199.44655 9.88537 2.79591 -199.22608 919.43002
2540.0000 -210.10388 -198.70031 11.40357 2.80601 -199.02936 926.64038
2545.0000 -210.42366 -201.52772 8.89594 2.74102 -200.29548 869.20618
2550.0000 -209.66819 -199.49128 10.17691 2.76304 -199.86648 886.10009
2555.0000 -211.05821 -200.73895 10.31925 2.75953 -199.93487 891.21500
2560.0000 -211.21621 -202.84716 8.36905 2.65116 -202.04625 790.96307
2565.0000 -209.49327 -199.92651 9.56676 2.71130 -200.87455 848.68229
2570.0000 -206.82734 -196.18239 10.64495 2.88648 -197.46146 993.84376
2575.0000 -206.06519 -195.51640 10.54879 2.99078 -195.42927 1071.45836
2580.0000 -210.54647 -198.96994 11.57652 2.88674 -197.45634 975.32846
2585.0000 -208.83350 -198.46301 10.37049 2.82729 -198.61460 946.23819
2590.0000 -210.22615 -199.23084 10.99531 2.86063 -197.96505 956.83219
2595.0000 -207.40815 -197.76127 9.64689 2.79145 -199.31297 916.82331
2600.0000 -208.95854 -198.64810 10.31044 2.85439 -198.08660 974.02837
2605.0000 -209.87501 -199.74084 10.13417 2.75419 -200.03891 880.91386
2610.0000 -210.44059 -201.70351 8.73708 2.76988 -199.73315 908.63307
2615.0000 -208.47659 -198.66549 9.81110 2.76979 -199.73493 890.85525
2620.0000 -208.00814 -198.28125 9.72689 2.78983 -199.34450 882.24647
2625.0000 -204.46555 -193.80117 10.66438 2.94856 -196.25181 992.91351
2630.0000 -206.37713 -197.09493 9.28220 2.99774 -195.29374 1031.51724
2635.0000 -208.62637 -199.67864 8.94773 2.83859 -198.39454 948.74456
2640.0000 -210.86919 -200.42626 10.44294 2.77845 -199.56621 920.53683
2645.0000 -209.83055 -201.58191 8.24865 2.72866 -200.53632 890.60009
2650.0000 -210.51103 -198.53652 11.97452 2.79083 -199.32497 903.86981
2655.0000 -208.44504 -198.96036 9.48468 2.84558 -198.25831 944.92469
2660.0000 -207.37501 -198.82282 8.55219 2.80775 -198.99539 879.08877
2665.0000 -207.77832 -197.23415 10.54417 2.79910 -199.16388 876.67713
2670.0000 -210.46977 -199.86333 10.60644 2.83395 -198.48490 903.03996
2675.0000 -212.39268 -200.70115 11.69152 2.74378 -200.24180 882.37547
2680.0000 -209.72015 -199.45431 10.26584 2.75811 -199.96257 906.37233
2685.0000 -209.76158 -198.69286 11.06872 2.82040 -198.74891 937.82263
2690.0000 -207.90013 -196.83081 11.06932 2.91776 -196.85205 1002.01534
2695.0000 -210.72778 -200.77442 9.95337 2.79955 -199.15513 916.87639
2700.0000 -209.50588 -199.89870 9.60718 2.73929 -200.32913 886.42019
2705.0000 -209.76071 -200.17040 9.59031 2.79284 -199.28584 916.73217
2710.0000 -210.90345 -201.49387 9.40957 2.71656 -200.77204 879.31605
2715.0000 -208.70898 -199.48874 9.22024 2.74175 -200.28136 873.60901
2720.0000 -208.63336 -198.96103 9.67232 2.81190 -198.91455 929.68929
2725.0000 -210.23423 -199.65023 10.58400 2.81297 -198.89375 916.73982
2730.0000 -207.72879 -198.18837 9.54042 2.85127 -198.14739 947.65102
2735.0000 -207.56824 -197.62149 9.94676 2.86863 -197.80921 945.37951
2740.0000 -210.53927 -199.18586 11.35341 2.81829 -198.79002 918.44658
2745.0000 -209.78591 -199.90694 9.87897 2.78289 -199.47971 879.30914
2750.0000 -209.09371 -199.49776 9.59595 2.76113 -199.90374 872.94326
FREEZING PROCESS: loop number 12 T-loop= 894.00000000000000
main_MD> interactions number 12 at Temperature= 894.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53755 -2.01584 1.24166
force_rgl> df(natom) -0.58727 0.58897 1.05507
2755.0000 -210.10165 -200.34092 9.76073 2.75897 -199.94572 894.45569
2760.0000 -212.63709 -204.03310 8.60398 2.63028 -202.45303 810.58054
2765.0000 -212.33089 -202.01690 10.31400 2.58843 -203.26851 789.08326
2770.0000 -211.93754 -201.22881 10.70873 2.65265 -202.01733 832.83062
2775.0000 -209.72464 -199.36179 10.36285 2.76371 -199.85339 917.04628
2780.0000 -211.75350 -202.68672 9.06679 2.62770 -202.50345 785.28140
2785.0000 -210.19979 -198.43829 11.76150 2.75760 -199.97245 869.19493
2790.0000 -208.97669 -199.05107 9.92562 2.79440 -199.25539 917.12235
2795.0000 -207.48798 -200.15595 7.33203 2.76214 -199.88406 910.01471
2800.0000 -209.28246 -200.36819 8.91427 2.71093 -200.88174 839.75252
2805.0000 -208.44045 -199.41668 9.02377 2.75410 -200.04059 863.34763
2810.0000 -208.25538 -198.52671 9.72867 2.81503 -198.85362 909.69227
2815.0000 -209.51481 -198.99669 10.51812 2.81750 -198.80536 937.62226
2820.0000 -209.85073 -198.86296 10.98777 2.79050 -199.33142 921.64234
2825.0000 -206.53613 -196.11621 10.41992 2.86292 -197.92051 934.88053
2830.0000 -207.24207 -195.52492 11.71715 2.96175 -195.99487 1018.25197
2835.0000 -208.15596 -197.91091 10.24505 2.94819 -196.25913 955.29802
2840.0000 -210.90439 -201.32459 9.57981 2.76036 -199.91878 903.85514
2845.0000 -209.23890 -200.50311 8.73579 2.70542 -200.98918 863.37694
2850.0000 -210.88082 -200.60607 10.27475 2.72974 -200.51527 855.10417
2855.0000 -210.78016 -202.06021 8.71996 2.64657 -202.13564 820.08856
2860.0000 -207.37014 -197.75838 9.61176 2.74418 -200.23395 887.75824
2865.0000 -206.87234 -198.25989 8.61245 2.83422 -198.47959 926.66524
2870.0000 -209.68450 -199.13635 10.54815 2.80669 -199.01611 919.71426
2875.0000 -207.94319 -196.88824 11.05495 2.84736 -198.22370 942.14895
2880.0000 -208.11234 -198.92887 9.18346 2.91270 -196.95056 1007.23467
2885.0000 -208.25917 -196.88216 11.37701 2.85740 -198.02810 946.12090
2890.0000 -207.95875 -195.57053 12.38822 2.92462 -196.71829 989.03189
2895.0000 -208.92194 -199.07516 9.84678 2.89966 -197.20464 964.05879
2900.0000 -210.93949 -200.76364 10.17585 2.72904 -200.52895 865.20675
2905.0000 -208.96042 -199.21512 9.74530 2.74123 -200.29148 873.43446
2910.0000 -210.33087 -199.46807 10.86281 2.74720 -200.17518 863.96631
2915.0000 -208.54044 -199.06176 9.47868 2.79516 -199.24064 891.38590
2920.0000 -209.74692 -201.10243 8.64449 2.74604 -200.19773 868.91140
2925.0000 -209.25336 -199.59800 9.65536 2.76353 -199.85700 884.51444
2930.0000 -210.90061 -201.12686 9.77374 2.72085 -200.68847 874.22252
2935.0000 -208.97159 -200.52622 8.44538 2.78070 -199.52231 908.49703
2940.0000 -207.84651 -198.20440 9.64211 2.82677 -198.62471 989.51849
2945.0000 -212.52312 -201.79143 10.73169 2.75543 -200.01471 886.95243
2950.0000 -210.31100 -200.85821 9.45278 2.73032 -200.50391 864.17343
2955.0000 -209.56873 -199.40694 10.16180 2.72120 -200.68162 847.07461
2960.0000 -210.50640 -201.74199 8.76441 2.76632 -199.80249 875.15945
2965.0000 -207.07165 -198.42268 8.64897 2.71874 -200.72953 832.32392
2970.0000 -209.65506 -198.22614 11.42892 2.83593 -198.44625 897.81617
2975.0000 -209.65706 -200.49143 9.16563 2.79978 -199.15062 910.35903
2980.0000 -209.77604 -198.96724 10.80880 2.76906 -199.74912 910.27199
2985.0000 -208.79079 -199.43758 9.35320 2.79329 -199.27714 900.18877
2990.0000 -209.71559 -199.37012 10.34547 2.80713 -199.00750 915.78301
2995.0000 -208.21998 -197.90199 10.31800 2.81890 -198.77815 941.84255
3000.0000 -209.60487 -199.45051 10.15436 2.83593 -198.44641 925.18780
FREEZING PROCESS: loop number 13 T-loop= 869.00000000000000
main_MD> interactions number 13 at Temperature= 869.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33441 0.69770 -2.78202
force_rgl> df(natom) -0.85062 -1.78059 -0.56125
3005.0000 -209.48082 -200.17540 9.30542 2.78426 -199.45310 920.53228
3010.0000 -210.05497 -200.28564 9.76933 2.74268 -200.26308 870.80412
3015.0000 -210.15994 -199.94066 10.21929 2.76553 -199.81790 892.85701
3020.0000 -210.64010 -200.74443 9.89566 2.77256 -199.68100 880.33870
3025.0000 -208.92115 -201.27859 7.64256 2.68812 -201.32610 835.34657
3030.0000 -210.59685 -200.11334 10.48351 2.72863 -200.53683 888.26370
3035.0000 -210.21631 -200.72268 9.49363 2.77040 -199.72304 925.63891
3040.0000 -212.19165 -202.26814 9.92351 2.69190 -201.25244 834.67773
3045.0000 -211.70096 -201.84768 9.85328 2.63295 -202.40112 781.46976
3050.0000 -212.17425 -202.00292 10.17133 2.66142 -201.84641 824.62456
3055.0000 -210.34924 -200.92381 9.42543 2.69817 -201.13034 857.40511
3060.0000 -211.03149 -201.63670 9.39479 2.66112 -201.85222 829.82484
3065.0000 -211.66537 -202.39233 9.27304 2.64588 -202.14916 819.61625
3070.0000 -210.50195 -202.08834 8.41361 2.59703 -203.10090 797.06740
3075.0000 -208.77048 -199.76059 9.00989 2.72404 -200.62635 883.32282
3080.0000 -210.74239 -202.20584 8.53656 2.70668 -200.96465 850.14120
3085.0000 -210.64978 -200.00295 10.64683 2.72507 -200.60627 885.27498
3090.0000 -210.39574 -200.35090 10.04484 2.78647 -199.40989 924.87764
3095.0000 -209.56584 -200.18789 9.37795 2.77568 -199.62023 927.31821
3100.0000 -209.74301 -199.54002 10.20298 2.79833 -199.17894 898.94126
3105.0000 -209.53006 -200.28342 9.24664 2.78915 -199.35781 906.08156
3110.0000 -210.09090 -201.22398 8.86693 2.74895 -200.14093 891.32746
3115.0000 -210.16420 -199.07980 11.08440 2.74010 -200.31334 886.38875
3120.0000 -209.91192 -199.64050 10.27141 2.76184 -199.88990 893.36473
3125.0000 -210.10209 -200.77785 9.32425 2.73284 -200.45496 882.30186
3130.0000 -209.01996 -199.18878 9.83118 2.72429 -200.62155 874.10086
3135.0000 -210.83997 -199.46987 11.37010 2.80939 -198.96336 930.51976
3140.0000 -211.01507 -201.10267 9.91240 2.72037 -200.69786 874.69975
3145.0000 -210.25955 -200.16866 10.09090 2.72539 -200.59999 866.80277
3150.0000 -210.00371 -201.28708 8.71663 2.75610 -200.00163 866.77743
3155.0000 -211.40321 -200.80174 10.60147 2.70744 -200.94976 863.89896
3160.0000 -211.13626 -202.74973 8.38653 2.66478 -201.78086 842.70493
3165.0000 -212.79748 -202.62364 10.17385 2.59770 -203.08789 807.47714
3170.0000 -209.93333 -199.73673 10.19660 2.71760 -200.75185 862.13551
3175.0000 -211.36347 -200.21632 11.14715 2.73466 -200.41935 871.79199
3180.0000 -209.64984 -199.63278 10.01706 2.76836 -199.76290 887.13252
3185.0000 -209.06988 -198.82420 10.24569 2.81994 -198.75786 930.26183
3190.0000 -209.77547 -200.70060 9.07487 2.75739 -199.97646 881.71956
3195.0000 -209.89765 -200.59392 9.30373 2.69133 -201.26372 856.16237
3200.0000 -208.47869 -198.47040 10.00829 2.87123 -197.75850 941.75061
3205.0000 -210.59303 -201.47752 9.11550 2.73880 -200.33879 872.49562
3210.0000 -210.20517 -202.22710 7.97807 2.64202 -202.22439 791.32679
3215.0000 -209.99262 -200.94687 9.04575 2.62247 -202.60535 776.39290
3220.0000 -209.83464 -199.16633 10.66831 2.80616 -199.02630 913.10541
3225.0000 -210.38721 -199.57146 10.81576 2.78417 -199.45485 903.55586
3230.0000 -209.93478 -199.25321 10.68157 2.79470 -199.24960 912.44637
3235.0000 -209.48251 -199.48266 9.99985 2.81790 -198.79762 929.05644
3240.0000 -208.19052 -198.19258 9.99794 2.81556 -198.84324 935.60668
3245.0000 -209.17434 -197.71483 11.45951 2.86744 -197.83245 947.75953
3250.0000 -209.30986 -199.85614 9.45372 2.79676 -199.20944 920.34978
FREEZING PROCESS: loop number 14 T-loop= 844.00000000000000
main_MD> interactions number 14 at Temperature= 844.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.52666 -2.25159 0.33566
force_rgl> df(natom) 0.38002 0.29400 0.02408
3255.0000 -211.81671 -201.92808 9.88863 2.65058 -202.05749 824.89246
3260.0000 -212.10895 -202.82435 9.28460 2.62627 -202.53132 828.59744
3265.0000 -209.75380 -201.22085 8.53295 2.65536 -201.96443 838.34919
3270.0000 -209.85760 -200.82938 9.02821 2.70603 -200.97722 861.98129
3275.0000 -209.61516 -201.35468 8.26048 2.70111 -201.07304 813.32312
3280.0000 -210.79562 -201.69443 9.10119 2.66155 -201.84381 815.43069
3285.0000 -212.31827 -203.12232 9.19595 2.66357 -201.80453 830.97160
3290.0000 -211.08119 -202.92384 8.15735 2.62904 -202.47722 815.76231
3295.0000 -212.22858 -201.93797 10.29061 2.63088 -202.44133 834.70475
3300.0000 -210.68733 -200.52860 10.15873 2.70550 -200.98765 841.58047
3305.0000 -211.46597 -200.99632 10.46965 2.64832 -202.10154 838.47177
3310.0000 -210.68567 -199.68838 10.99729 2.71494 -200.80354 869.01593
3315.0000 -211.41554 -201.66839 9.74715 2.71256 -200.84991 873.85228
3320.0000 -210.00447 -200.45187 9.55260 2.71624 -200.77825 867.55055
3325.0000 -209.81983 -200.28381 9.53603 2.74463 -200.22508 871.23817
3330.0000 -211.03800 -201.07921 9.95879 2.71857 -200.73288 865.08173
3335.0000 -211.01234 -202.43710 8.57524 2.67240 -201.63249 842.20862
3340.0000 -212.42769 -203.19035 9.23734 2.59223 -203.19448 779.79881
3345.0000 -211.51696 -201.13399 10.38297 2.61859 -202.68079 808.30797
3350.0000 -210.13785 -200.40846 9.72939 2.71829 -200.73832 852.98828
3355.0000 -209.45382 -198.23858 11.21525 2.75098 -200.10136 881.46827
3360.0000 -210.07514 -200.34511 9.73003 2.79338 -199.27544 915.83863
3365.0000 -209.82274 -199.28991 10.53283 2.73732 -200.36754 868.78391
3370.0000 -209.74780 -200.45678 9.29101 2.74895 -200.14103 881.31656
3375.0000 -210.99426 -201.45234 9.54192 2.68917 -201.30577 864.11070
3380.0000 -209.82082 -201.73459 8.08623 2.67414 -201.59847 843.61140
3385.0000 -208.20162 -199.80029 8.40133 2.74481 -200.22160 862.34711
3390.0000 -209.97294 -200.79443 9.17851 2.73526 -200.40772 865.68875
3395.0000 -209.76022 -199.65835 10.10187 2.71683 -200.76672 885.63028
3400.0000 -209.40353 -200.55646 8.84707 2.79944 -199.15732 912.13882
3405.0000 -209.70901 -200.08046 9.62855 2.76504 -199.82752 855.75156
3410.0000 -209.04226 -199.23690 9.80536 2.81414 -198.87091 907.06431
3415.0000 -210.24106 -200.52350 9.71755 2.71608 -200.78146 859.21039
3420.0000 -209.60336 -200.04604 9.55733 2.76154 -199.89573 907.18287
3425.0000 -209.67101 -199.79575 9.87527 2.78993 -199.34264 896.88563
3430.0000 -211.12844 -200.20428 10.92415 2.72793 -200.55059 853.51470
3435.0000 -210.92221 -201.03087 9.89134 2.74822 -200.15515 856.57965
3440.0000 -209.27866 -200.37592 8.90274 2.74453 -200.22717 869.85969
3445.0000 -210.04103 -200.56276 9.47827 2.74786 -200.16216 886.41288
3450.0000 -209.89448 -200.65078 9.24371 2.68410 -201.40448 843.08247
3455.0000 -211.26567 -202.10660 9.15907 2.65946 -201.88448 826.94481
3460.0000 -211.35858 -203.14881 8.20977 2.65666 -201.93918 815.64178
3465.0000 -211.81129 -202.90458 8.90671 2.60070 -203.02949 803.72361
3470.0000 -211.19162 -202.10745 9.08417 2.63283 -202.40348 789.21856
3475.0000 -211.75850 -203.07692 8.68158 2.63417 -202.37733 788.34760
3480.0000 -210.37086 -200.77139 9.59947 2.67819 -201.51969 852.63467
3485.0000 -211.16962 -202.45444 8.71518 2.67033 -201.67276 844.08246
3490.0000 -210.84796 -202.74284 8.10512 2.66598 -201.75757 842.58074
3495.0000 -209.70603 -200.94115 8.76488 2.65404 -201.99008 820.66686
3500.0000 -210.97494 -200.62162 10.35333 2.74501 -200.21775 898.83707
FREEZING PROCESS: loop number 15 T-loop= 819.00000000000000
main_MD> interactions number 15 at Temperature= 819.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.37988 4.14415 -1.36963
force_rgl> df(natom) 1.66826 -0.71042 1.67567
3505.0000 -211.37965 -202.19674 9.18291 2.64224 -202.22013 804.30666
3510.0000 -210.84118 -202.07049 8.77069 2.64648 -202.13750 805.61022
3515.0000 -212.58594 -202.61459 9.97135 2.61605 -202.73033 808.31317
3520.0000 -210.29154 -201.07735 9.21419 2.65735 -201.92569 826.11110
3525.0000 -210.66497 -202.70889 7.95608 2.65291 -202.01223 816.84635
3530.0000 -212.99062 -203.74445 9.24618 2.64918 -202.08481 807.06239
3535.0000 -213.34125 -204.22469 9.11656 2.54536 -204.10768 740.24797
3540.0000 -213.74587 -204.01054 9.73534 2.52854 -204.43532 740.78177
3545.0000 -211.28373 -202.42149 8.86224 2.62375 -202.58033 814.93171
3550.0000 -211.07342 -202.15395 8.91947 2.59522 -203.13615 784.04931
3555.0000 -211.38588 -202.86281 8.52307 2.61751 -202.70197 802.65609
3560.0000 -212.38702 -203.67201 8.71502 2.60304 -202.98381 781.27032
3565.0000 -212.92970 -202.64020 10.28950 2.59983 -203.04628 781.70285
3570.0000 -212.51870 -204.02924 8.48947 2.63889 -202.28526 832.46844
3575.0000 -210.92706 -201.90897 9.01809 2.57249 -203.57912 777.42872
3580.0000 -212.01157 -203.54216 8.46942 2.57160 -203.59640 786.54635
3585.0000 -210.72259 -201.51031 9.21228 2.62999 -202.45882 831.15363
3590.0000 -211.57305 -201.50748 10.06557 2.67775 -201.52821 834.31628
3595.0000 -211.21111 -202.69023 8.52087 2.65958 -201.88231 833.89970
3600.0000 -211.55577 -201.01898 10.53679 2.65969 -201.88012 826.91650
3605.0000 -212.28859 -201.38147 10.90711 2.64991 -202.07070 821.09790
3610.0000 -211.87498 -203.01218 8.86280 2.61590 -202.73337 801.99116
3615.0000 -211.75007 -203.42281 8.32726 2.56789 -203.66860 770.73074
3620.0000 -209.60479 -200.72564 8.87915 2.62357 -202.58391 805.24278
3625.0000 -211.27541 -201.72171 9.55370 2.71269 -200.84739 844.52617
3630.0000 -211.89928 -202.69197 9.20731 2.70474 -201.00239 821.12051
3635.0000 -210.94692 -201.25525 9.69168 2.65244 -202.02135 836.32733
3640.0000 -212.60477 -203.02899 9.57577 2.67316 -201.61768 857.76153
3645.0000 -212.51960 -203.62590 8.89370 2.56197 -203.78397 768.78572
3650.0000 -212.49532 -203.94420 8.55112 2.57559 -203.51858 776.84637
3655.0000 -210.23069 -201.08040 9.15029 2.63529 -202.35554 812.57106
3660.0000 -211.90102 -201.92880 9.97222 2.64529 -202.16063 802.74542
3665.0000 -209.98986 -200.64855 9.34131 2.68847 -201.31928 847.33366
3670.0000 -209.88263 -200.83358 9.04906 2.73777 -200.35874 857.92644
3675.0000 -212.31806 -203.95088 8.36718 2.62214 -202.61178 786.90464
3680.0000 -212.23470 -203.90280 8.33190 2.55104 -203.99697 791.19121
3685.0000 -211.82848 -203.05042 8.77806 2.57804 -203.47082 771.01168
3690.0000 -212.09091 -203.27914 8.81178 2.58499 -203.33554 793.04207
3695.0000 -211.85380 -202.42379 9.43001 2.59379 -203.16410 773.79482
3700.0000 -211.75573 -202.43033 9.32540 2.62624 -202.53189 815.87016
3705.0000 -213.39274 -205.16602 8.22671 2.59424 -203.15530 792.89480
3710.0000 -212.71374 -205.04104 7.67269 2.49330 -205.12201 725.89370
3715.0000 -211.77540 -203.83237 7.94303 2.53347 -204.33929 741.59688
3720.0000 -211.79515 -201.62166 10.17349 2.62945 -202.46936 806.18597
3725.0000 -210.30920 -200.54968 9.75952 2.68866 -201.31568 849.06624
3730.0000 -210.47251 -200.71842 9.75409 2.71524 -200.79773 863.09153
3735.0000 -210.90758 -202.08590 8.82168 2.62323 -202.59048 805.77636
3740.0000 -210.81280 -201.47518 9.33762 2.67241 -201.63227 845.74453
3745.0000 -210.68363 -202.47651 8.20713 2.69349 -201.22154 803.85897
3750.0000 -210.66612 -202.43864 8.22748 2.63789 -202.30475 793.42782
FREEZING PROCESS: loop number 16 T-loop= 794.00000000000000
main_MD> interactions number 16 at Temperature= 794.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.93957 2.06182 0.57017
force_rgl> df(natom) 2.44051 2.97979 2.39310
3755.0000 -210.32467 -201.53261 8.79206 2.69831 -201.12770 833.43211
3760.0000 -212.53626 -204.40464 8.13162 2.62766 -202.50421 790.70515
3765.0000 -213.21096 -204.70372 8.50724 2.54147 -204.18344 754.85656
3770.0000 -212.44932 -203.63531 8.81401 2.52194 -204.56394 751.14578
3775.0000 -212.79218 -203.21482 9.57737 2.59487 -203.14307 785.49863
3780.0000 -210.54122 -201.45820 9.08303 2.62938 -202.47067 804.41009
3785.0000 -211.36755 -202.65554 8.71201 2.67382 -201.60477 856.38673
3790.0000 -212.58652 -204.00342 8.58311 2.57671 -203.49682 780.08583
3795.0000 -210.85126 -203.08641 7.76485 2.59917 -203.05923 797.18589
3800.0000 -211.90527 -205.12670 6.77857 2.56886 -203.64984 768.24014
3805.0000 -212.39797 -203.57172 8.82625 2.56273 -203.76914 751.11479
3810.0000 -212.69405 -205.21896 7.47510 2.54912 -204.03433 763.02824
3815.0000 -210.48054 -202.89648 7.58407 2.57226 -203.58352 773.02128
3820.0000 -210.97763 -201.94358 9.03405 2.64505 -202.16535 812.61825
3825.0000 -212.34361 -203.69014 8.65346 2.62424 -202.57075 806.38453
3830.0000 -212.75552 -204.35599 8.39953 2.52718 -204.46188 723.35182
3835.0000 -213.53258 -203.73058 9.80200 2.52674 -204.47045 741.59053
3840.0000 -211.47829 -202.88297 8.59532 2.61091 -202.83046 800.61772
3845.0000 -210.82109 -202.20001 8.62109 2.63119 -202.43528 803.77099
3850.0000 -212.37991 -203.82897 8.55094 2.56540 -203.71724 776.58190
3855.0000 -211.69944 -204.33009 7.36934 2.54969 -204.02325 746.77891
3860.0000 -213.64934 -205.14531 8.50403 2.50587 -204.87708 728.76398
3865.0000 -212.76327 -203.52316 9.24012 2.55220 -203.97435 767.04826
3870.0000 -212.05341 -204.57498 7.47843 2.49590 -205.07128 726.16168
3875.0000 -212.13988 -203.34306 8.79682 2.54938 -204.02928 781.42831
3880.0000 -212.66027 -203.55561 9.10466 2.58409 -203.35301 792.85047
3885.0000 -211.22155 -202.46948 8.75207 2.65514 -201.96865 839.57362
3890.0000 -213.16413 -203.74774 9.41639 2.58232 -203.38761 783.20481
3895.0000 -210.67579 -202.83775 7.83804 2.57896 -203.45303 783.30955
3900.0000 -212.32203 -203.34800 8.97403 2.58992 -203.23941 803.93558
3905.0000 -213.56238 -205.15523 8.40715 2.52211 -204.56055 774.12193
3910.0000 -212.30533 -205.19519 7.11014 2.51288 -204.74047 724.26215
3915.0000 -212.13982 -203.99936 8.14046 2.53611 -204.28793 739.93082
3920.0000 -210.53844 -201.60425 8.93419 2.56494 -203.72617 756.87829
3925.0000 -209.62854 -201.30700 8.32154 2.68181 -201.44906 843.33551
3930.0000 -210.14360 -200.78303 9.36057 2.70488 -200.99959 853.45709
3935.0000 -211.98006 -202.67242 9.30764 2.65463 -201.97861 818.05986
3940.0000 -212.15355 -203.11542 9.03812 2.56066 -203.80962 757.53931
3945.0000 -210.01583 -200.89314 9.12269 2.60643 -202.91774 813.97806
3950.0000 -210.70515 -201.54191 9.16325 2.68647 -201.35828 852.38764
3955.0000 -210.62904 -201.20735 9.42169 2.66045 -201.86523 827.75359
3960.0000 -210.78395 -200.36078 10.42317 2.69296 -201.23190 856.82624
3965.0000 -211.14620 -201.71965 9.42655 2.72141 -200.67751 856.71783
3970.0000 -210.04075 -201.98557 8.05518 2.67435 -201.59451 834.43200
3975.0000 -210.30469 -201.02664 9.27805 2.64836 -202.10085 826.54560
3980.0000 -211.20702 -202.58293 8.62409 2.68902 -201.30860 857.17167
3985.0000 -210.71448 -201.32254 9.39195 2.68075 -201.46970 831.90222
3990.0000 -209.63229 -200.60172 9.03057 2.69099 -201.27024 844.66930
3995.0000 -209.35689 -200.07820 9.27869 2.74402 -200.23714 866.47624
4000.0000 -210.66688 -201.30033 9.36655 2.74686 -200.18180 879.19122
FREEZING PROCESS: loop number 17 T-loop= 769.00000000000000
main_MD> interactions number 17 at Temperature= 769.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.03416 -1.57018 -1.00588
force_rgl> df(natom) 6.17874 -0.02674 3.91374
4005.0000 -210.92140 -202.20979 8.71161 2.64837 -202.10071 821.10450
4010.0000 -212.14428 -204.55218 7.59210 2.56330 -203.75806 797.16879
4015.0000 -212.91428 -204.92351 7.99077 2.50938 -204.80856 739.64217
4020.0000 -213.69703 -204.82874 8.86830 2.52427 -204.51851 729.00543
4025.0000 -213.82623 -204.68686 9.13938 2.51732 -204.65386 742.69899
4030.0000 -212.58522 -204.37406 8.21116 2.49547 -205.07959 718.11992
4035.0000 -211.24074 -202.96110 8.27964 2.57347 -203.56003 765.08938
4040.0000 -212.97295 -204.10752 8.86542 2.58239 -203.38608 767.87664
4045.0000 -211.73502 -204.29692 7.43810 2.51989 -204.60381 739.69259
4050.0000 -211.34985 -203.86502 7.48483 2.57722 -203.48682 760.51165
4055.0000 -212.93937 -204.17115 8.76822 2.55379 -203.94347 769.50174
4060.0000 -212.57847 -205.07549 7.50298 2.58971 -203.24363 803.12992
4065.0000 -211.65165 -202.69855 8.95310 2.55966 -203.82896 757.59696
4070.0000 -212.46742 -202.73151 9.73591 2.63525 -202.35630 835.30915
4075.0000 -211.38702 -203.12152 8.26550 2.59084 -203.22144 804.12704
4080.0000 -211.22792 -202.10224 9.12568 2.65023 -202.06443 835.44466
4085.0000 -212.41739 -203.57937 8.83803 2.62991 -202.46028 807.18209
4090.0000 -213.33095 -204.54911 8.78184 2.53192 -204.36943 762.59206
4095.0000 -213.21553 -204.38692 8.82860 2.55537 -203.91260 789.16238
4100.0000 -212.10347 -204.11258 7.99089 2.55603 -203.89983 764.98687
4105.0000 -213.88231 -205.82771 8.05460 2.50220 -204.94845 729.76654
4110.0000 -214.35202 -206.06560 8.28642 2.47095 -205.55746 718.95575
4115.0000 -212.61425 -204.55627 8.05798 2.46943 -205.58704 727.98081
4120.0000 -212.07085 -204.11082 7.96002 2.57057 -203.61638 786.05374
4125.0000 -213.67809 -204.91191 8.76618 2.53507 -204.30804 767.09088
4130.0000 -213.79380 -204.14002 9.65378 2.55493 -203.92122 782.33192
4135.0000 -212.74517 -203.99441 8.75075 2.54549 -204.10507 760.57885
4140.0000 -211.06635 -202.99022 8.07613 2.60000 -203.04315 791.22090
4145.0000 -212.22677 -204.16647 8.06030 2.58771 -203.28258 762.22068
4150.0000 -211.69409 -202.91236 8.78172 2.55764 -203.86830 763.48293
4155.0000 -213.14803 -204.38012 8.76791 2.57217 -203.58534 760.83137
4160.0000 -213.60322 -205.70512 7.89810 2.50019 -204.98764 733.17910
4165.0000 -212.02906 -204.88705 7.14201 2.49008 -205.18474 704.83598
4170.0000 -212.83019 -204.42521 8.40498 2.52334 -204.53656 742.68391
4175.0000 -213.71012 -204.84905 8.86108 2.52497 -204.50490 752.05902
4180.0000 -213.02581 -205.34960 7.67621 2.52875 -204.43118 743.63191
4185.0000 -212.53064 -203.19703 9.33361 2.50351 -204.92311 724.79695
4190.0000 -210.39172 -202.27434 8.11739 2.62080 -202.63780 794.15817
4195.0000 -211.70109 -202.90165 8.79944 2.61958 -202.66152 781.22750
4200.0000 -212.48453 -203.55162 8.93290 2.58433 -203.34837 768.93285
4205.0000 -210.71434 -202.00437 8.70997 2.62659 -202.52500 790.66861
4210.0000 -209.61879 -200.90328 8.71551 2.67403 -201.60070 841.72565
4215.0000 -212.37511 -202.80599 9.56912 2.67195 -201.64116 823.15364
4220.0000 -211.48571 -203.38297 8.10274 2.57600 -203.51073 775.41331
4225.0000 -210.61730 -202.53719 8.08012 2.58641 -203.30784 790.51124
4230.0000 -212.53939 -203.98030 8.55908 2.52641 -204.47678 732.36773
4235.0000 -212.51540 -203.57200 8.94340 2.56722 -203.68168 758.30743
4240.0000 -212.80784 -204.46374 8.34410 2.56195 -203.78432 773.50818
4245.0000 -213.73978 -205.31126 8.42852 2.50917 -204.81273 729.86711
4250.0000 -211.82341 -203.19719 8.62622 2.55000 -204.01723 764.61383
FREEZING PROCESS: loop number 18 T-loop= 744.00000000000000
main_MD> interactions number 18 at Temperature= 744.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.81078 -1.95406 6.24168
force_rgl> df(natom) -1.05778 -0.36774 0.01274
4255.0000 -214.84057 -205.02625 9.81432 2.57017 -203.62433 807.68964
4260.0000 -212.55763 -205.06934 7.48828 2.50130 -204.96613 719.15570
4265.0000 -212.91030 -204.14580 8.76451 2.50319 -204.92924 734.38633
4270.0000 -211.61789 -203.23694 8.38095 2.53836 -204.24402 758.21432
4275.0000 -211.62402 -202.85139 8.77263 2.60254 -202.99359 807.22834
4280.0000 -211.63698 -202.79800 8.83898 2.60773 -202.89244 788.65815
4285.0000 -211.88869 -203.01094 8.87775 2.55434 -203.93276 770.65917
4290.0000 -212.94181 -205.01546 7.92635 2.54361 -204.14180 744.96238
4295.0000 -213.63521 -204.44615 9.18906 2.48376 -205.30789 712.59830
4300.0000 -212.50683 -203.75518 8.75165 2.52012 -204.59944 717.03033
4305.0000 -212.81343 -205.38987 7.42356 2.48277 -205.32717 728.04214
4310.0000 -213.33747 -205.07328 8.26418 2.48269 -205.32860 691.08906
4315.0000 -213.15090 -204.94776 8.20314 2.50240 -204.94473 711.60178
4320.0000 -212.65278 -205.19287 7.45991 2.48953 -205.19548 720.63776
4325.0000 -212.98063 -204.84515 8.13548 2.50311 -204.93074 740.30320
4330.0000 -214.14951 -204.71700 9.43251 2.49071 -205.17239 732.06107
4335.0000 -213.38611 -204.40688 8.97924 2.54657 -204.08406 783.23711
4340.0000 -213.33679 -205.39758 7.93922 2.50185 -204.95540 747.65778
4345.0000 -211.95775 -204.40506 7.55269 2.53924 -204.22679 765.69198
4350.0000 -212.04168 -204.43272 7.60896 2.48914 -205.20304 728.18764
4355.0000 -213.52133 -205.38882 8.13251 2.51621 -204.67553 730.14162
4360.0000 -213.70494 -204.63960 9.06534 2.50453 -204.90305 729.23221
4365.0000 -213.48069 -205.56496 7.91573 2.50589 -204.87662 736.08244
4370.0000 -214.13580 -204.42683 9.70897 2.45388 -205.88995 704.35156
4375.0000 -214.28591 -205.85232 8.43359 2.46794 -205.61596 725.57417
4380.0000 -214.31573 -206.07405 8.24168 2.46000 -205.77068 718.17234
4385.0000 -212.31689 -203.76318 8.55372 2.50213 -204.94989 727.96672
4390.0000 -213.49524 -205.04089 8.45435 2.48976 -205.19084 727.35128
4395.0000 -212.01760 -203.72348 8.29412 2.52007 -204.60031 733.30728
4400.0000 -213.59241 -205.61263 7.97978 2.55871 -203.84757 757.17711
4405.0000 -211.45119 -203.42247 8.02872 2.52572 -204.49028 735.60103
4410.0000 -213.49288 -205.03936 8.45352 2.54648 -204.08585 752.55510
4415.0000 -212.53249 -203.33183 9.20066 2.50506 -204.89283 726.58874
4420.0000 -211.82519 -203.60541 8.21978 2.54880 -204.04053 739.21844
4425.0000 -212.59313 -204.75872 7.83442 2.54021 -204.20799 735.78585
4430.0000 -213.56606 -204.63333 8.93274 2.53626 -204.28487 752.09030
4435.0000 -212.59084 -205.03809 7.55274 2.51546 -204.69022 751.30012
4440.0000 -212.94965 -205.69901 7.25064 2.46177 -205.73620 702.29690
4445.0000 -214.50688 -205.71990 8.78698 2.44994 -205.96673 696.00199
4450.0000 -211.78751 -203.50602 8.28149 2.53053 -204.39662 736.48465
4455.0000 -213.01308 -204.50759 8.50548 2.54044 -204.20356 768.99920
4460.0000 -211.53711 -203.73438 7.80273 2.55345 -203.94997 742.61092
4465.0000 -212.84904 -204.32148 8.52756 2.55406 -203.93814 762.59252
4470.0000 -212.61518 -206.01855 6.59663 2.50183 -204.95572 739.79987
4475.0000 -213.77864 -205.21812 8.56051 2.46458 -205.68146 710.33696
4480.0000 -215.52472 -207.26099 8.26373 2.46326 -205.70719 700.51635
4485.0000 -213.30287 -205.49790 7.80497 2.42520 -206.44873 701.06164
4490.0000 -213.10669 -203.90408 9.20261 2.53457 -204.31789 741.19073
4495.0000 -213.23223 -205.23940 7.99283 2.52026 -204.59659 737.87535
4500.0000 -212.91575 -205.25698 7.65877 2.47228 -205.53157 718.26101
FREEZING PROCESS: loop number 19 T-loop= 719.00000000000000
main_MD> interactions number 19 at Temperature= 719.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31533 -2.26805 -1.16944
force_rgl> df(natom) 1.15384 -1.17076 2.51454
4505.0000 -212.74340 -205.26092 7.48248 2.51993 -204.60306 741.60167
4510.0000 -212.97586 -205.38627 7.58959 2.48388 -205.30553 699.78025
4515.0000 -212.34046 -204.82545 7.51501 2.51030 -204.79065 726.40505
4520.0000 -214.63493 -207.61024 7.02470 2.40574 -206.82789 642.32024
4525.0000 -214.98875 -206.79162 8.19713 2.43683 -206.22217 697.15701
4530.0000 -214.90035 -207.53258 7.36777 2.40719 -206.79964 681.88307
4535.0000 -214.72047 -206.86354 7.85694 2.42051 -206.54022 662.23501
4540.0000 -212.62172 -204.85563 7.76609 2.47693 -205.44080 704.29774
4545.0000 -213.56270 -204.76081 8.80189 2.51118 -204.77359 735.15072
4550.0000 -214.81534 -206.50874 8.30659 2.47478 -205.48277 736.55437
4555.0000 -213.04833 -204.57507 8.47325 2.44058 -206.14909 689.25808
4560.0000 -212.30809 -204.43789 7.87020 2.54821 -204.05210 750.59468
4565.0000 -212.75258 -204.42545 8.32713 2.49459 -205.09673 719.82093
4570.0000 -213.18665 -204.79392 8.39273 2.54207 -204.17164 726.43262
4575.0000 -214.25252 -207.79215 6.46036 2.46123 -205.74674 707.91367
4580.0000 -214.40198 -207.02836 7.37361 2.38672 -207.19857 666.78748
4585.0000 -213.51535 -205.11633 8.39902 2.46191 -205.73355 695.05932
4590.0000 -212.27094 -204.73641 7.53453 2.45440 -205.87982 687.05662
4595.0000 -213.75363 -204.90338 8.85025 2.51787 -204.64321 740.83540
4600.0000 -212.21183 -203.32227 8.88956 2.53878 -204.23591 743.72270
4605.0000 -213.65714 -205.19350 8.46364 2.54348 -204.14427 753.49347
4610.0000 -212.77329 -204.50257 8.27072 2.51826 -204.63565 716.23685
4615.0000 -214.10989 -206.71489 7.39500 2.47467 -205.48491 718.19383
4620.0000 -213.54277 -206.97969 6.56308 2.43312 -206.29443 699.08394
4625.0000 -212.59469 -205.04985 7.54484 2.43744 -206.21022 680.84086
4630.0000 -213.72231 -205.39532 8.32698 2.48837 -205.21806 726.69698
4635.0000 -214.34531 -207.66081 6.68450 2.44640 -206.03571 705.06484
4640.0000 -213.47655 -205.71931 7.75723 2.38581 -207.21617 665.63272
4645.0000 -212.91477 -204.56602 8.34876 2.50055 -204.98059 734.16354
4650.0000 -213.29409 -204.21280 9.08129 2.51620 -204.67586 772.01320
4655.0000 -213.98741 -205.57633 8.41108 2.47068 -205.56257 708.86736
4660.0000 -212.72974 -203.94679 8.78296 2.49222 -205.14297 723.62084
4665.0000 -213.14096 -204.20592 8.93505 2.54081 -204.19630 768.99573
4670.0000 -214.43181 -205.75973 8.67207 2.49424 -205.10360 714.05895
4675.0000 -212.97470 -205.65241 7.32229 2.46129 -205.74566 725.94569
4680.0000 -212.76414 -205.15780 7.60634 2.46142 -205.74299 714.04051
4685.0000 -212.30982 -204.64925 7.66057 2.48969 -205.19233 728.47247
4690.0000 -214.78718 -206.70855 8.07863 2.46288 -205.71465 699.17926
4695.0000 -213.73888 -206.52403 7.21485 2.41299 -206.68663 682.66689
4700.0000 -213.78602 -206.79165 6.99437 2.41196 -206.70682 675.20033
4705.0000 -214.30856 -205.73609 8.57247 2.44379 -206.08657 695.28602
4710.0000 -213.12194 -205.17672 7.94522 2.45581 -205.85241 702.92740
4715.0000 -213.21166 -204.99185 8.21980 2.50371 -204.91920 717.38228
4720.0000 -211.43986 -203.37357 8.06629 2.50693 -204.85630 718.49895
4725.0000 -211.84914 -202.98472 8.86442 2.56802 -203.66606 770.01244
4730.0000 -212.28713 -203.77342 8.51371 2.55750 -203.87105 768.41069
4735.0000 -212.11754 -204.39499 7.72254 2.55922 -203.83750 749.77402
4740.0000 -212.91789 -206.51433 6.40356 2.49651 -205.05940 747.38706
4745.0000 -213.89075 -206.32915 7.56160 2.40229 -206.89516 658.57699
4750.0000 -213.33745 -203.78832 9.54913 2.48818 -205.22161 701.08537
FREEZING PROCESS: loop number 20 T-loop= 694.00000000000000
main_MD> interactions number 20 at Temperature= 694.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.35759 0.28768 2.47401
force_rgl> df(natom) 0.92424 -1.15368 3.23566
4755.0000 -212.67933 -204.87095 7.80839 2.49802 -205.02989 721.99736
4760.0000 -213.19873 -204.93213 8.26660 2.47898 -205.40098 732.15988
4765.0000 -213.07575 -205.23477 7.84098 2.50946 -204.80714 732.62498
4770.0000 -212.86846 -205.10899 7.75947 2.49108 -205.16521 708.59607
4775.0000 -212.59912 -204.39197 8.20715 2.49718 -205.04627 728.33642
4780.0000 -213.12892 -206.21993 6.90899 2.48665 -205.25149 715.39931
4785.0000 -214.24207 -206.73039 7.51168 2.46668 -205.64057 710.71739
4790.0000 -214.81894 -207.24775 7.57119 2.41526 -206.64250 702.38959
4795.0000 -214.34224 -207.11662 7.22562 2.42321 -206.48763 707.03642
4800.0000 -214.37190 -206.31275 8.05916 2.42389 -206.47420 683.14454
4805.0000 -213.95723 -205.86442 8.09281 2.45043 -205.95727 694.26616
4810.0000 -213.62156 -205.58318 8.03838 2.41608 -206.62653 678.05464
4815.0000 -212.37289 -204.32525 8.04764 2.50890 -204.81794 715.09978
4820.0000 -214.33462 -205.93398 8.40064 2.51632 -204.67338 742.91441
4825.0000 -213.54009 -205.81612 7.72397 2.46724 -205.62967 703.70759
4830.0000 -215.00665 -206.20293 8.80372 2.42938 -206.36724 684.90539
4835.0000 -213.00110 -206.67476 6.32634 2.41920 -206.56559 690.76614
4840.0000 -212.99032 -205.31605 7.67427 2.43306 -206.29555 678.86925
4845.0000 -212.41804 -204.84080 7.57724 2.47890 -205.40243 681.53182
4850.0000 -213.75638 -205.79599 7.96039 2.49317 -205.12448 714.09384
4855.0000 -213.39869 -205.64253 7.75616 2.47484 -205.48162 709.73574
4860.0000 -213.39269 -205.54378 7.84891 2.47108 -205.55490 703.17484
4865.0000 -213.39469 -206.24706 7.14762 2.47403 -205.49738 709.94349
4870.0000 -213.57339 -205.84100 7.73240 2.45893 -205.79155 705.45393
4875.0000 -212.42475 -205.06222 7.36253 2.44153 -206.13051 698.78702
4880.0000 -213.94030 -206.06035 7.87995 2.48324 -205.31799 724.69417
4885.0000 -213.43574 -206.45723 6.97850 2.42105 -206.52952 677.18074
4890.0000 -214.19148 -207.20457 6.98690 2.39803 -206.97816 656.16510
4895.0000 -213.55687 -204.41123 9.14564 2.43536 -206.25075 698.68155
4900.0000 -214.80124 -207.18031 7.62092 2.44540 -206.05527 710.68763
4905.0000 -214.25410 -206.66815 7.58595 2.43176 -206.32090 676.97602
4910.0000 -214.20737 -205.99461 8.21276 2.42440 -206.46440 683.83919
4915.0000 -214.38251 -206.74686 7.63565 2.42518 -206.44911 695.21599
4920.0000 -214.89775 -206.11011 8.78764 2.37755 -207.37712 672.85688
4925.0000 -212.99282 -204.25516 8.73766 2.48726 -205.23954 706.08804
4930.0000 -210.56715 -203.38173 7.18542 2.52285 -204.54619 717.42487
4935.0000 -212.95986 -205.29711 7.66275 2.55422 -203.93505 751.53055
4940.0000 -214.02657 -205.01423 9.01235 2.52532 -204.49805 756.52719
4945.0000 -211.98232 -204.69133 7.29100 2.49389 -205.11037 726.11214
4950.0000 -212.58612 -204.96721 7.61891 2.49575 -205.07427 716.85007
4955.0000 -213.63261 -205.24029 8.39232 2.50421 -204.90935 744.30632
4960.0000 -214.04432 -206.47260 7.57172 2.45299 -205.90740 692.25915
4965.0000 -214.40582 -206.90317 7.50266 2.41103 -206.72488 669.12567
4970.0000 -213.69808 -206.61090 7.08717 2.40053 -206.92938 663.74970
4975.0000 -213.27151 -206.32765 6.94386 2.39351 -207.06616 653.01167
4980.0000 -213.73887 -206.26385 7.47501 2.40783 -206.78719 683.74430
4985.0000 -214.02245 -205.54792 8.47453 2.48783 -205.22858 717.41792
4990.0000 -213.05583 -206.18210 6.87374 2.45668 -205.83533 669.56704
4995.0000 -212.96897 -204.99822 7.97074 2.47428 -205.49249 693.21025
5000.0000 -213.17273 -204.99239 8.18034 2.48081 -205.36535 693.68110
FREEZING PROCESS: loop number 21 T-loop= 669.00000000000000
main_MD> interactions number 21 at Temperature= 669.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.85916 -1.91142 6.74128
force_rgl> df(natom) -0.23364 -0.97703 0.41725
5005.0000 -213.53665 -206.82741 6.70924 2.45091 -205.94792 694.06406
5010.0000 -214.34612 -206.20215 8.14397 2.41656 -206.61716 667.08272
5015.0000 -213.40845 -205.85973 7.54872 2.44827 -205.99937 699.52800
5020.0000 -215.50433 -207.76248 7.74185 2.40776 -206.78846 686.86928
5025.0000 -212.97668 -206.94126 6.03542 2.37158 -207.49349 648.98699
5030.0000 -213.77404 -206.22273 7.55130 2.41028 -206.73941 692.31460
5035.0000 -215.81757 -208.94621 6.87136 2.42255 -206.50045 669.21864
5040.0000 -215.45002 -208.62393 6.82609 2.31279 -208.63884 608.72744
5045.0000 -215.44402 -208.73135 6.71267 2.32600 -208.38143 626.63034
5050.0000 -214.75559 -206.71391 8.04168 2.36211 -207.67801 652.02759
5055.0000 -215.00033 -207.28405 7.71628 2.40162 -206.90824 667.38774
5060.0000 -214.24159 -206.53681 7.70477 2.38379 -207.25554 680.11561
5065.0000 -216.17211 -208.53876 7.63335 2.38933 -207.14759 658.18831
5070.0000 -213.78378 -206.86654 6.91723 2.35237 -207.86774 644.11046
5075.0000 -215.27257 -207.62506 7.64751 2.38080 -207.31392 679.91758
5080.0000 -213.99425 -205.50009 8.49416 2.41665 -206.61530 661.51430
5085.0000 -215.43211 -206.36037 9.07174 2.43451 -206.26728 700.38969
5090.0000 -213.90538 -206.35790 7.54747 2.40871 -206.77001 664.25400
5095.0000 -214.34542 -206.30184 8.04358 2.40117 -206.91696 655.55412
5100.0000 -213.48087 -206.00383 7.47704 2.41657 -206.61694 669.17274
5105.0000 -213.48640 -206.38820 7.09820 2.44725 -206.01915 682.29611
5110.0000 -214.38399 -207.31827 7.06572 2.38277 -207.27543 664.97758
5115.0000 -214.50909 -207.13453 7.37456 2.39568 -207.02383 674.64670
5120.0000 -213.96914 -206.28819 7.68096 2.41977 -206.55463 674.90899
5125.0000 -215.18241 -207.68306 7.49935 2.41744 -206.59995 687.89214
5130.0000 -214.69384 -207.04346 7.65038 2.43756 -206.20788 692.84499
5135.0000 -214.32673 -206.76043 7.56630 2.36414 -207.63838 667.81715
5140.0000 -214.41992 -206.75800 7.66192 2.40030 -206.93399 677.13058
5145.0000 -214.88319 -208.56614 6.31706 2.33527 -208.20092 614.01972
5150.0000 -213.95254 -206.56184 7.39070 2.38019 -207.32562 641.30491
5155.0000 -214.23663 -207.35825 6.87838 2.44293 -206.10331 677.64293
5160.0000 -214.48771 -207.18139 7.30632 2.36500 -207.62173 656.55386
5165.0000 -215.43107 -208.95745 6.47362 2.33956 -208.11730 623.66765
5170.0000 -215.23922 -208.05416 7.18505 2.32507 -208.39967 616.07654
5175.0000 -213.25757 -206.23053 7.02704 2.41777 -206.59347 667.19570
5180.0000 -213.97361 -205.91798 8.05563 2.45376 -205.89239 707.64606
5185.0000 -213.75672 -206.63574 7.12098 2.43683 -206.22214 689.75435
5190.0000 -213.49133 -205.48707 8.00426 2.43676 -206.22354 681.25676
5195.0000 -213.97261 -205.67695 8.29566 2.50991 -204.79829 751.76689
5200.0000 -215.79099 -206.25370 9.53729 2.46203 -205.73115 711.22118
5205.0000 -214.26611 -207.07007 7.19604 2.43461 -206.26551 720.88891
5210.0000 -213.54138 -205.37111 8.17027 2.43579 -206.24237 688.23978
5215.0000 -214.12185 -206.79959 7.32226 2.42542 -206.44446 672.42790
5220.0000 -214.37366 -205.65449 8.71918 2.42553 -206.44242 698.96313
5225.0000 -214.77347 -207.99737 6.77610 2.40541 -206.83430 678.24762
5230.0000 -214.98455 -207.63418 7.35037 2.35504 -207.81565 630.42697
5235.0000 -215.43785 -206.54039 8.89746 2.38903 -207.15338 657.85075
5240.0000 -214.33644 -205.80462 8.53182 2.44055 -206.14962 703.62663
5245.0000 -213.28497 -205.45513 7.82984 2.48697 -205.24518 726.65854
5250.0000 -214.13860 -205.09754 9.04106 2.46427 -205.68760 703.90776
FREEZING PROCESS: loop number 22 T-loop= 644.00000000000000
main_MD> interactions number 22 at Temperature= 644.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.58399 -0.65161 -0.61789
force_rgl> df(natom) 0.82575 -1.05793 1.44325
5255.0000 -212.89348 -205.43657 7.45691 2.48976 -205.19098 718.93445
5260.0000 -214.41663 -206.03772 8.37891 2.45158 -205.93469 711.28184
5265.0000 -213.62878 -206.79763 6.83115 2.45068 -205.95242 675.22500
5270.0000 -213.97761 -206.26559 7.71202 2.43737 -206.21159 681.32579
5275.0000 -213.60951 -206.10867 7.50084 2.44495 -206.06403 676.93646
5280.0000 -215.55195 -209.12231 6.42964 2.36433 -207.63462 627.86132
5285.0000 -215.73509 -208.23469 7.50041 2.31171 -208.65995 594.70965
5290.0000 -215.11022 -208.51683 6.59338 2.32128 -208.47351 634.47812
5295.0000 -214.96744 -207.11990 7.84754 2.34753 -207.96203 640.42669
5300.0000 -214.00311 -207.59219 6.41092 2.36860 -207.55152 629.60177
5305.0000 -214.19445 -207.11904 7.07541 2.38348 -207.26156 670.59370
5310.0000 -215.02126 -207.21346 7.80780 2.36965 -207.53113 646.14429
5315.0000 -214.42629 -206.60531 7.82098 2.38253 -207.28013 639.10512
5320.0000 -214.05865 -206.67474 7.38391 2.39694 -206.99938 666.38951
5325.0000 -212.47366 -205.83017 6.64349 2.41713 -206.60607 687.62071
5330.0000 -214.24613 -207.14752 7.09861 2.41348 -206.67710 647.59348
5335.0000 -214.88964 -208.16271 6.72693 2.37608 -207.40580 631.72675
5340.0000 -214.13669 -206.93528 7.20141 2.38209 -207.28876 638.48606
5345.0000 -213.97272 -206.23587 7.73685 2.39811 -206.97658 643.17538
5350.0000 -213.92667 -206.51375 7.41292 2.43740 -206.21098 677.31099
5355.0000 -215.20699 -207.51203 7.69497 2.36832 -207.55696 644.42077
5360.0000 -216.18787 -209.50699 6.68088 2.29670 -208.95244 603.16993
5365.0000 -216.51120 -210.37027 6.14094 2.22035 -210.43990 564.22156
5370.0000 -214.65733 -209.02095 5.63638 2.27112 -209.45068 571.50618
5375.0000 -215.77972 -209.35554 6.42418 2.31484 -208.59887 603.79742
5380.0000 -215.06605 -206.59330 8.47275 2.34141 -208.08123 627.88463
5385.0000 -213.56282 -206.18920 7.37362 2.41353 -206.67623 672.67992
5390.0000 -215.43498 -208.41910 7.01588 2.36999 -207.52448 635.33509
5395.0000 -212.73165 -205.83501 6.89665 2.35526 -207.81147 616.37465
5400.0000 -214.43977 -207.26667 7.17310 2.42286 -206.49432 671.48200
5405.0000 -214.59994 -207.29045 7.30949 2.37042 -207.51613 642.54754
5410.0000 -213.60886 -206.01685 7.59201 2.40565 -206.82969 687.76454
5415.0000 -213.59988 -206.90893 6.69095 2.42262 -206.49896 662.39649
5420.0000 -215.66479 -208.73232 6.93247 2.37437 -207.43908 641.41224
5425.0000 -214.93938 -208.50571 6.43367 2.29646 -208.95697 604.65120
5430.0000 -214.63569 -208.95888 5.67681 2.32426 -208.41546 602.25151
5435.0000 -216.61543 -209.27381 7.34162 2.29235 -209.03705 595.35959
5440.0000 -216.18266 -208.70016 7.48250 2.29579 -208.97013 597.06748
5445.0000 -215.70578 -209.11556 6.59022 2.27102 -209.45278 579.70790
5450.0000 -215.73092 -208.82057 6.91035 2.31492 -208.59736 608.50749
5455.0000 -214.96661 -207.02527 7.94134 2.34310 -208.04843 604.15340
5460.0000 -214.83869 -206.82697 8.01172 2.36875 -207.54852 639.15078
5465.0000 -214.76370 -208.24629 6.51741 2.38239 -207.28289 647.34177
5470.0000 -214.29804 -206.91414 7.38390 2.36663 -207.58992 660.89370
5475.0000 -214.62015 -206.65550 7.96464 2.38681 -207.19664 671.86797
5480.0000 -215.25143 -209.62784 5.62359 2.37609 -207.40559 658.82856
5485.0000 -216.03393 -209.93227 6.10166 2.24563 -209.94733 582.39449
5490.0000 -215.99583 -209.68991 6.30592 2.24565 -209.94704 591.86270
5495.0000 -215.05111 -209.06304 5.98807 2.27053 -209.46218 604.54238
5500.0000 -215.67637 -209.14600 6.53036 2.27462 -209.38248 589.23615
FREEZING PROCESS: loop number 23 T-loop= 619.00000000000000
main_MD> interactions number 23 at Temperature= 619.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25253 2.11574 -2.81206
force_rgl> df(natom) 0.81484 -1.37465 0.41962
5505.0000 -215.96548 -210.07884 5.88663 2.27891 -209.29906 579.64979
5510.0000 -215.26129 -208.04763 7.21367 2.28340 -209.21149 598.79846
5515.0000 -216.11913 -210.13920 5.97993 2.25159 -209.83121 575.81975
5520.0000 -216.53042 -211.02723 5.50318 2.22995 -210.25294 560.63997
5525.0000 -215.32302 -209.44461 5.87841 2.26450 -209.57982 587.02293
5530.0000 -216.06778 -208.80964 7.25814 2.28331 -209.21325 588.28953
5535.0000 -215.19931 -209.46698 5.73233 2.28189 -209.24094 617.32127
5540.0000 -215.36958 -208.47823 6.89135 2.30357 -208.81848 637.91997
5545.0000 -215.74938 -209.89672 5.85266 2.29413 -209.00242 600.20667
5550.0000 -215.60575 -209.09859 6.50716 2.24133 -210.03116 579.29755
5555.0000 -215.76174 -208.17713 7.58461 2.33382 -208.22907 624.85734
5560.0000 -216.53549 -209.99677 6.53872 2.26752 -209.52082 579.90392
5565.0000 -216.11230 -210.05202 6.06028 2.24728 -209.91524 584.26253
5570.0000 -216.83787 -210.52880 6.30906 2.22520 -210.34555 580.76384
5575.0000 -215.91994 -209.31973 6.60021 2.26385 -209.59235 604.73121
5580.0000 -215.91081 -209.64917 6.26164 2.28354 -209.20872 621.11712
5585.0000 -216.47228 -210.22300 6.24928 2.25204 -209.82244 604.02899
5590.0000 -214.44946 -208.35756 6.09190 2.26863 -209.49933 626.67744
5595.0000 -215.23845 -207.86335 7.37510 2.32432 -208.41426 651.69742
5600.0000 -213.48575 -206.92889 6.55686 2.38066 -207.31656 658.37050
5605.0000 -213.41820 -207.02417 6.39402 2.42456 -206.46123 679.79262
5610.0000 -214.01543 -207.12592 6.88952 2.39613 -207.01511 660.86977
5615.0000 -214.10536 -207.30922 6.79615 2.37902 -207.34842 633.72555
5620.0000 -213.36512 -206.75200 6.61312 2.40793 -206.78529 639.84094
5625.0000 -214.52064 -207.29570 7.22494 2.37039 -207.51669 619.70450
5630.0000 -214.56210 -207.86575 6.69636 2.38106 -207.30872 641.36588
5635.0000 -214.65369 -207.72333 6.93036 2.34020 -208.10488 617.54348
5640.0000 -215.81537 -208.60724 7.20813 2.35218 -207.87145 655.32761
5645.0000 -215.45858 -208.73017 6.72841 2.31979 -208.50259 641.96567
5650.0000 -214.94369 -208.80518 6.13851 2.27926 -209.29223 607.45453
5655.0000 -216.38421 -208.49911 7.88510 2.30864 -208.71974 633.33340
5660.0000 -215.66099 -207.68743 7.97356 2.33479 -208.21018 646.07970
5665.0000 -214.26791 -207.62373 6.64418 2.37363 -207.45347 637.95905
5670.0000 -215.88066 -209.07501 6.80565 2.33681 -208.17093 600.19418
5675.0000 -215.51410 -208.49267 7.02143 2.29938 -208.90012 596.69761
5680.0000 -215.71785 -208.81437 6.90348 2.31475 -208.60072 614.39794
5685.0000 -215.07269 -208.21200 6.86068 2.31986 -208.50105 616.85094
5690.0000 -214.40172 -206.94171 7.46001 2.37360 -207.45412 630.19337
5695.0000 -213.67861 -207.55210 6.12651 2.39708 -206.99671 642.02098
5700.0000 -215.04043 -208.98141 6.05902 2.37454 -207.43583 645.61052
5705.0000 -214.79148 -207.61663 7.17485 2.34518 -208.00784 620.25315
5710.0000 -216.18118 -208.64804 7.53314 2.32665 -208.36884 609.68648
5715.0000 -216.02022 -209.07534 6.94489 2.31446 -208.60628 612.10314
5720.0000 -213.93857 -207.39346 6.54512 2.31948 -208.50863 610.32119
5725.0000 -214.66710 -208.26505 6.40204 2.36528 -207.61612 641.97541
5730.0000 -215.86347 -209.09367 6.76981 2.29912 -208.90524 613.35487
5735.0000 -214.24202 -208.34778 5.89424 2.33006 -208.30244 640.11788
5740.0000 -215.64035 -208.97204 6.66830 2.29235 -209.03709 593.71745
5745.0000 -214.93766 -208.77002 6.16764 2.30774 -208.73726 586.97384
5750.0000 -213.62732 -206.06351 7.56382 2.36643 -207.59372 630.32658
FREEZING PROCESS: loop number 24 T-loop= 594.00000000000000
main_MD> interactions number 24 at Temperature= 594.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.67748 -3.75973 -2.46019
force_rgl> df(natom) -1.46596 0.04748 2.17250
5755.0000 -213.99508 -207.63165 6.36343 2.38268 -207.27716 642.63510
5760.0000 -215.50723 -209.22570 6.28153 2.30026 -208.88309 615.96641
5765.0000 -214.08055 -206.75083 7.32972 2.34291 -208.05197 613.53691
5770.0000 -215.32188 -207.86368 7.45820 2.38126 -207.30490 629.67887
5775.0000 -215.48535 -208.43471 7.05064 2.32539 -208.39340 600.32336
5780.0000 -216.45920 -209.77756 6.68164 2.27516 -209.37203 591.10094
5785.0000 -216.24381 -209.82601 6.41780 2.26145 -209.63924 578.73616
5790.0000 -217.16666 -210.74539 6.42127 2.21198 -210.60308 548.34266
5795.0000 -216.62396 -210.50000 6.12396 2.17474 -211.32851 521.52979
5800.0000 -216.98850 -211.35949 5.62901 2.19798 -210.87571 552.41011
5805.0000 -215.97705 -208.81384 7.16321 2.22324 -210.38368 583.27829
5810.0000 -217.38626 -209.68332 7.70293 2.27607 -209.35442 634.93729
5815.0000 -215.94263 -209.24798 6.69466 2.26381 -209.59326 607.22678
5820.0000 -215.86188 -209.22584 6.63605 2.27564 -209.36266 601.69576
5825.0000 -216.31544 -210.13623 6.17922 2.27140 -209.44534 599.80619
5830.0000 -215.98052 -209.66606 6.31446 2.24362 -209.98652 585.43271
5835.0000 -216.75991 -211.09445 5.66545 2.21201 -210.60250 544.09442
5840.0000 -216.33029 -209.53058 6.79971 2.23166 -210.21962 555.37614
5845.0000 -216.47130 -210.56746 5.90385 2.27659 -209.34412 594.62975
5850.0000 -215.95525 -208.31256 7.64269 2.28716 -209.13832 612.01364
5855.0000 -215.75465 -209.16954 6.58511 2.30472 -208.79604 602.37035
5860.0000 -214.72391 -209.24713 5.47678 2.32633 -208.37500 609.06488
5865.0000 -214.94374 -208.10905 6.83469 2.34016 -208.10565 599.55763
5870.0000 -215.79523 -207.49333 8.30190 2.36321 -207.65659 644.34954
5875.0000 -216.09782 -209.22674 6.87108 2.31581 -208.57996 600.14342
5880.0000 -218.07265 -209.45409 8.61856 2.25700 -209.72581 590.10589
5885.0000 -217.61352 -211.06070 6.55282 2.21149 -210.61266 574.98805
5890.0000 -217.58456 -211.18873 6.39583 2.19491 -210.93552 578.37870
5895.0000 -215.92488 -210.06996 5.85492 2.19851 -210.86537 562.29953
5900.0000 -216.37618 -210.46192 5.91426 2.25126 -209.83777 571.70137
5905.0000 -215.99013 -208.75180 7.23832 2.27694 -209.33738 605.84172
5910.0000 -215.18713 -209.18154 6.00560 2.28585 -209.16382 589.05136
5915.0000 -215.49877 -207.50335 7.99543 2.32083 -208.48221 611.56865
5920.0000 -214.27152 -207.54138 6.73015 2.34883 -207.93677 630.86457
5925.0000 -216.12857 -208.29419 7.83438 2.34822 -207.94854 647.25919
5930.0000 -216.14224 -210.20016 5.94208 2.29510 -208.98357 629.22634
5935.0000 -216.45474 -210.52824 5.92650 2.24558 -209.94834 595.80919
5940.0000 -217.01362 -210.39603 6.61759 2.24649 -209.93074 604.13084
5945.0000 -217.67140 -210.84539 6.82601 2.25407 -209.78304 634.90661
5950.0000 -217.11253 -210.81334 6.29919 2.22447 -210.35960 594.41784
5955.0000 -217.13117 -210.07759 7.05358 2.20612 -210.71711 581.51468
5960.0000 -215.05275 -209.56169 5.49106 2.23035 -210.24516 571.95709
5965.0000 -215.45077 -208.74181 6.70896 2.29436 -208.99799 609.00105
5970.0000 -216.79525 -210.19790 6.59734 2.27434 -209.38800 598.68811
5975.0000 -216.21542 -210.27293 5.94249 2.23035 -210.24503 559.37676
5980.0000 -216.55608 -210.71752 5.83857 2.23756 -210.10456 570.81274
5985.0000 -216.07852 -210.12669 5.95184 2.23340 -210.18560 573.79469
5990.0000 -216.68290 -210.30772 6.37519 2.24289 -210.00078 572.86634
5995.0000 -215.54181 -209.01610 6.52572 2.28128 -209.25281 569.47228
6000.0000 -216.06450 -209.95137 6.11313 2.28775 -209.12671 585.30008
FREEZING PROCESS: loop number 25 T-loop= 569.00000000000000
main_MD> interactions number 25 at Temperature= 569.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.07177 4.25178 -2.31653
force_rgl> df(natom) -1.15129 0.94049 -1.48839
6005.0000 -215.41291 -208.98511 6.42780 2.25148 -209.83348 560.68954
6010.0000 -216.39998 -209.58654 6.81344 2.26376 -209.59423 562.79687
6015.0000 -216.35609 -209.70118 6.65491 2.21741 -210.49716 554.50773
6020.0000 -217.71432 -211.79473 5.91959 2.18806 -211.06907 537.84905
6025.0000 -216.96878 -209.60278 7.36599 2.20170 -210.80323 530.74442
6030.0000 -217.03179 -209.74810 7.28369 2.25475 -209.76965 579.00089
6035.0000 -217.26788 -211.58676 5.68112 2.21392 -210.56520 573.14889
6040.0000 -218.02404 -211.85351 6.17052 2.16655 -211.48819 562.03600
6045.0000 -218.26036 -212.43566 5.82471 2.13181 -212.16492 543.92060
6050.0000 -218.11206 -212.33136 5.78070 2.12765 -212.24599 556.37658
6055.0000 -217.37273 -211.51753 5.85520 2.15297 -211.75274 551.49442
6060.0000 -217.64072 -212.02342 5.61730 2.13648 -212.07400 527.92892
6065.0000 -216.50663 -210.15235 6.35428 2.21135 -210.61533 580.97477
6070.0000 -216.62108 -211.03864 5.58244 2.19279 -210.97690 552.69953
6075.0000 -216.67396 -211.47307 5.20089 2.17767 -211.27146 525.44412
6080.0000 -216.35634 -211.16870 5.18764 2.19680 -210.89879 529.36219
6085.0000 -215.90507 -209.58035 6.32472 2.21584 -210.52778 541.81064
6090.0000 -216.71970 -210.42407 6.29563 2.24229 -210.01242 573.88550
6095.0000 -215.70526 -209.49874 6.20651 2.28175 -209.24357 593.42539
6100.0000 -215.74958 -208.80502 6.94456 2.30562 -208.77859 608.48449
6105.0000 -216.19976 -209.93448 6.26528 2.28081 -209.26194 588.76854
6110.0000 -216.13460 -209.61815 6.51646 2.26105 -209.64696 565.05968
6115.0000 -216.37863 -210.13347 6.24516 2.24746 -209.91179 549.45040
6120.0000 -214.99033 -208.66920 6.32113 2.23749 -210.10598 545.24793
6125.0000 -216.99599 -211.21229 5.78370 2.26768 -209.51781 564.64164
6130.0000 -216.93868 -211.70928 5.22940 2.18113 -211.20412 516.23226
6135.0000 -215.57466 -210.28069 5.29397 2.23877 -210.08105 570.82849
6140.0000 -216.88698 -210.03448 6.85251 2.21883 -210.46963 535.15290
6145.0000 -215.71749 -209.51956 6.19793 2.24420 -209.97525 537.97364
6150.0000 -215.73986 -209.73015 6.00971 2.27504 -209.37445 564.93750
6155.0000 -215.99771 -210.33733 5.66039 2.23957 -210.06541 550.56762
6160.0000 -216.83136 -210.24561 6.58575 2.23481 -210.15824 566.20098
6165.0000 -217.01916 -210.70070 6.31847 2.24758 -209.90933 560.48455
6170.0000 -216.04149 -210.38756 5.65393 2.22138 -210.41982 542.83924
6175.0000 -215.85103 -209.83053 6.02049 2.24072 -210.04299 563.04497
6180.0000 -216.33768 -210.28384 6.05384 2.24702 -209.92027 571.52191
6185.0000 -217.72642 -211.84107 5.88536 2.18159 -211.19520 533.85473
6190.0000 -217.01905 -210.25049 6.76856 2.18438 -211.14070 522.78316
6195.0000 -216.49794 -210.29472 6.20322 2.19740 -210.88719 565.57403
6200.0000 -215.98107 -209.85356 6.12751 2.24027 -210.05175 556.58659
6205.0000 -215.97591 -209.71697 6.25895 2.27044 -209.46409 590.48771
6210.0000 -215.91567 -209.93818 5.97749 2.25536 -209.75790 571.58422
6215.0000 -217.59818 -210.31259 7.28560 2.22464 -210.35637 561.23891
6220.0000 -216.82910 -210.85140 5.97770 2.20975 -210.64650 564.15613
6225.0000 -217.74300 -211.62800 6.11499 2.16579 -211.50299 533.66944
6230.0000 -216.74336 -211.20150 5.54186 2.15302 -211.75185 537.98246
6235.0000 -217.41082 -210.91364 6.49718 2.17755 -211.27385 545.60113
6240.0000 -217.48853 -211.05576 6.43277 2.18945 -211.04192 555.70487
6245.0000 -217.77602 -211.39312 6.38290 2.16043 -211.60738 538.54555
6250.0000 -217.52009 -211.08465 6.43544 2.20060 -210.82477 565.61312
FREEZING PROCESS: loop number 26 T-loop= 544.00000000000000
main_MD> interactions number 26 at Temperature= 544.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.95318 -3.82799 -2.58939
force_rgl> df(natom) 1.06475 0.89333 -3.91945
6255.0000 -216.86846 -211.44136 5.42710 2.16083 -211.59953 533.66741
6260.0000 -217.90059 -210.89444 7.00615 2.21856 -210.47484 577.02740
6265.0000 -217.71561 -212.06000 5.65561 2.15950 -211.62555 529.73567
6270.0000 -217.34031 -211.30165 6.03865 2.16049 -211.60622 529.97835
6275.0000 -217.01959 -210.55543 6.46416 2.20022 -210.83220 544.12739
6280.0000 -217.64320 -211.08835 6.55485 2.23010 -210.24992 562.49481
6285.0000 -217.39568 -211.64267 5.75301 2.17316 -211.35939 518.14572
6290.0000 -216.38843 -210.79233 5.59610 2.18831 -211.06412 520.08743
6295.0000 -217.14178 -211.21182 5.92996 2.19703 -210.89421 546.85580
6300.0000 -217.30183 -210.70189 6.59994 2.17968 -211.23241 548.21557
6305.0000 -217.36976 -211.80915 5.56061 2.16232 -211.57057 525.71091
6310.0000 -217.22126 -211.68768 5.53358 2.15372 -211.73806 517.11455
6315.0000 -216.30493 -210.00345 6.30149 2.18205 -211.18614 527.23547
6320.0000 -216.76666 -210.59979 6.16688 2.22465 -210.35623 552.48194
6325.0000 -216.67149 -210.51944 6.15205 2.21746 -210.49628 542.61822
6330.0000 -217.51382 -211.49224 6.02158 2.20751 -210.69012 564.46210
6335.0000 -217.51870 -211.57107 5.94763 2.15947 -211.62606 531.25359
6340.0000 -218.20532 -212.30361 5.90171 2.15311 -211.75004 526.53839
6345.0000 -215.89983 -210.26561 5.63422 2.17897 -211.24623 516.81177
6350.0000 -216.96920 -211.81762 5.15158 2.21498 -210.54459 544.26689
6355.0000 -217.13104 -211.03023 6.10081 2.14862 -211.83750 502.54465
6360.0000 -216.77761 -211.58394 5.19367 2.17437 -211.33576 526.55942
6365.0000 -215.65508 -208.96930 6.68578 2.20640 -210.71177 545.88300
6370.0000 -217.46502 -209.77167 7.69335 2.27176 -209.43832 599.98463
6375.0000 -217.46347 -211.73004 5.73342 2.17727 -211.27920 550.66490
6380.0000 -216.90186 -211.26923 5.63263 2.16440 -211.53011 542.63153
6385.0000 -217.12305 -211.46103 5.66202 2.16920 -211.43657 547.16265
6390.0000 -216.68536 -211.24794 5.43742 2.17177 -211.38642 545.41627
6395.0000 -218.64409 -212.67484 5.96924 2.14692 -211.87059 535.09919
6400.0000 -217.95008 -212.40425 5.54583 2.11977 -212.39956 508.14484
6405.0000 -217.17420 -210.06777 7.10643 2.18481 -211.13244 541.99162
6410.0000 -216.86488 -210.77780 6.08708 2.19715 -210.89195 546.81289
6415.0000 -216.96885 -210.37174 6.59710 2.21513 -210.54172 556.79725
6420.0000 -216.73722 -211.11158 5.62565 2.20921 -210.65690 557.11087
6425.0000 -216.51030 -211.25653 5.25377 2.19530 -210.92792 545.27643
6430.0000 -217.72238 -211.20507 6.51731 2.17861 -211.25323 529.12630
6435.0000 -217.41968 -210.29477 7.12490 2.17845 -211.25638 543.68846
6440.0000 -217.27490 -211.67815 5.59675 2.21417 -210.56032 548.59933
6445.0000 -218.17100 -211.36753 6.80346 2.16761 -211.46747 522.98970
6450.0000 -217.20555 -210.21227 6.99329 2.19542 -210.92565 540.97449
6455.0000 -217.25321 -209.93365 7.31956 2.25789 -209.70853 599.28331
6460.0000 -217.62412 -211.46611 6.15801 2.18692 -211.09136 574.01780
6465.0000 -217.74185 -210.82700 6.91485 2.17943 -211.23727 563.15504
6470.0000 -218.66704 -212.79806 5.86898 2.15609 -211.69204 549.53781
6475.0000 -218.31334 -211.59571 6.71763 2.10233 -212.73932 517.35520
6480.0000 -217.80367 -212.09125 5.71242 2.13741 -212.05584 540.94436
6485.0000 -218.31347 -212.13478 6.17869 2.13341 -212.13377 507.91377
6490.0000 -216.48520 -210.70696 5.77824 2.16207 -211.57544 519.23852
6495.0000 -216.24479 -210.33641 5.90838 2.22928 -210.26593 554.65224
6500.0000 -215.54728 -209.82482 5.72246 2.25854 -209.69581 575.38898
FREEZING PROCESS: loop number 27 T-loop= 519.00000000000000
main_MD> interactions number 27 at Temperature= 519.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74399 1.97317 -1.99745
force_rgl> df(natom) 0.80416 -1.06848 0.09238
6505.0000 -218.36303 -212.06441 6.29861 2.19184 -210.99549 526.49645
6510.0000 -216.51705 -210.02303 6.49402 2.18541 -211.12074 528.30357
6515.0000 -218.50801 -211.57606 6.93195 2.20032 -210.83012 551.07486
6520.0000 -217.34409 -211.66521 5.67888 2.15146 -211.78219 520.42343
6525.0000 -216.85079 -210.64257 6.20822 2.15785 -211.65757 524.73790
6530.0000 -217.45331 -211.60447 5.84885 2.17106 -211.40029 530.28060
6535.0000 -217.75992 -212.02726 5.73266 2.13184 -212.16440 517.13721
6540.0000 -216.90495 -211.02473 5.88022 2.14520 -211.90419 509.48223
6545.0000 -216.05454 -210.49380 5.56074 2.20341 -210.77007 545.32468
6550.0000 -217.21589 -211.65548 5.56040 2.22156 -210.41635 566.24881
6555.0000 -217.86037 -212.18277 5.67760 2.14593 -211.88995 509.81808
6560.0000 -217.71207 -212.09665 5.61542 2.12748 -212.24942 500.49257
6565.0000 -217.36856 -211.73452 5.63404 2.14721 -211.86492 515.03747
6570.0000 -216.96983 -211.51302 5.45681 2.16318 -211.55381 547.32189
6575.0000 -217.81336 -211.76933 6.04402 2.17877 -211.25009 559.21307
6580.0000 -217.49323 -212.22748 5.26575 2.14356 -211.93605 527.30395
6585.0000 -218.93915 -212.75252 6.18664 2.13070 -212.18661 514.50336
6590.0000 -218.28021 -212.56633 5.71388 2.12145 -212.36693 514.07477
6595.0000 -218.07464 -212.06472 6.00992 2.12808 -212.23774 535.38820
6600.0000 -219.31968 -212.42158 6.89810 2.10045 -212.77593 548.25270
6605.0000 -219.49780 -213.45096 6.04684 2.09182 -212.94418 522.37342
6610.0000 -219.13565 -213.45275 5.68289 2.06188 -213.52741 489.41194
6615.0000 -218.29472 -213.39951 4.89522 2.07177 -213.33474 514.68656
6620.0000 -219.01292 -214.01748 4.99544 2.05823 -213.59862 499.81800
6625.0000 -219.64526 -214.20782 5.43743 2.04993 -213.76037 492.92218
6630.0000 -218.51131 -213.51256 4.99875 2.02878 -214.17243 470.67457
6635.0000 -219.55470 -214.23602 5.31869 2.05010 -213.75696 492.58000
6640.0000 -218.81717 -213.13023 5.68693 2.03417 -214.06731 479.10469
6645.0000 -218.93010 -212.49140 6.43870 2.07278 -213.31506 504.34038
6650.0000 -218.60004 -212.07574 6.52429 2.10800 -212.62896 528.99734
6655.0000 -218.66353 -212.42001 6.24352 2.14090 -211.98794 536.21357
6660.0000 -219.29468 -213.08513 6.20955 2.09295 -212.92221 529.63455
6665.0000 -218.81668 -212.69936 6.11731 2.11195 -212.55197 536.00902
6670.0000 -219.10902 -212.97695 6.13207 2.09348 -212.91187 529.03381
6675.0000 -218.59934 -212.31256 6.28678 2.10457 -212.69577 536.21232
6680.0000 -219.46756 -213.51859 5.94897 2.11869 -212.42064 548.94084
6685.0000 -218.05252 -212.72791 5.32460 2.08136 -213.14797 516.87515
6690.0000 -216.59599 -211.69183 4.90416 2.12714 -212.25600 512.71513
6695.0000 -217.76661 -212.25071 5.51589 2.16406 -211.53672 539.67508
6700.0000 -217.81638 -212.58449 5.23189 2.13628 -212.07797 546.38563
6705.0000 -218.55723 -214.01620 4.54103 2.06834 -213.40156 493.93255
6710.0000 -218.04844 -212.30160 5.74684 2.05544 -213.65290 470.35504
6715.0000 -218.11884 -212.86807 5.25076 2.09809 -212.82204 524.29796
6720.0000 -218.01986 -211.84127 6.17858 2.08213 -213.13298 509.86339
6725.0000 -217.56029 -211.90575 5.65454 2.14906 -211.82888 530.62471
6730.0000 -218.73592 -213.30435 5.43156 2.09707 -212.84195 515.13126
6735.0000 -219.55618 -213.47239 6.08379 2.03726 -214.00715 480.73169
6740.0000 -218.60093 -213.01507 5.58587 2.09856 -212.81284 516.12952
6745.0000 -219.81348 -213.36380 6.44968 2.08566 -213.06410 518.35634
6750.0000 -219.33771 -212.87950 6.45821 2.08157 -213.14380 524.79236
FREEZING PROCESS: loop number 28 T-loop= 494.00000000000000
main_MD> interactions number 28 at Temperature= 494.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.15384 2.94773 0.77844
force_rgl> df(natom) 0.09437 -0.06939 0.37353
6755.0000 -220.01816 -213.99068 6.02749 2.10186 -212.74850 543.04856
6760.0000 -218.99858 -214.02463 4.97395 2.03346 -214.08125 490.20902
6765.0000 -220.55977 -214.62528 5.93450 2.01715 -214.39898 480.81970
6770.0000 -219.41814 -213.77309 5.64506 2.03396 -214.07138 485.98425
6775.0000 -219.24346 -213.42981 5.81365 2.05420 -213.67705 506.55519
6780.0000 -218.88639 -213.54087 5.34551 2.05653 -213.63167 515.02886
6785.0000 -219.60229 -213.28784 6.31445 2.08693 -213.03936 531.03880
6790.0000 -219.24512 -213.93853 5.30659 2.02548 -214.23659 483.34797
6795.0000 -220.17363 -214.33854 5.83509 2.02859 -214.17615 488.91199
6800.0000 -219.31974 -213.65311 5.66663 2.04596 -213.83761 491.14805
6805.0000 -218.46373 -213.02074 5.44299 2.06705 -213.42670 514.90807
6810.0000 -219.14801 -213.63641 5.51159 2.05941 -213.57569 513.12736
6815.0000 -218.47517 -213.61758 4.85759 2.09582 -212.86629 527.31322
6820.0000 -219.71780 -214.31736 5.40044 2.05437 -213.67384 500.14958
6825.0000 -219.39693 -212.86572 6.53121 2.04940 -213.77069 506.02493
6830.0000 -219.19481 -214.42149 4.77332 2.06507 -213.46526 500.33341
6835.0000 -218.86700 -213.74255 5.12445 2.03194 -214.11088 478.45292
6840.0000 -219.21819 -213.59549 5.62270 2.05272 -213.70592 498.17580
6845.0000 -219.70223 -214.27539 5.42684 2.04710 -213.81546 498.31851
6850.0000 -219.84412 -214.51140 5.33272 2.01034 -214.53166 473.55293
6855.0000 -218.91331 -213.50322 5.41009 2.03239 -214.10208 488.68055
6860.0000 -219.27995 -213.62590 5.65406 2.09498 -212.88260 528.21196
6865.0000 -220.00486 -214.25951 5.74535 2.05671 -213.62821 512.15799
6870.0000 -218.91925 -213.81451 5.10474 2.04097 -213.93482 488.55113
6875.0000 -219.25601 -213.97545 5.28057 2.04101 -213.93410 484.60166
6880.0000 -218.79301 -213.74931 5.04370 2.05935 -213.57671 500.74243
6885.0000 -218.80344 -212.73068 6.07276 2.04854 -213.78745 483.38927
6890.0000 -219.01853 -213.77454 5.24399 2.06654 -213.43661 493.18036
6895.0000 -219.28689 -213.32485 5.96203 2.04429 -213.87011 493.65408
6900.0000 -218.25329 -213.33811 4.91518 2.08133 -213.14851 516.43766
6905.0000 -218.41512 -213.34752 5.06760 2.05392 -213.68249 489.63010
6910.0000 -218.63971 -213.00659 5.63312 2.07783 -213.21666 494.28301
6915.0000 -219.74946 -213.60907 6.14038 2.06848 -213.39899 476.17907
6920.0000 -218.65167 -212.44789 6.20378 2.09023 -212.97512 500.25968
6925.0000 -218.57355 -212.41308 6.16046 2.12119 -212.37199 537.70755
6930.0000 -218.63798 -213.29181 5.34617 2.06693 -213.42901 474.41448
6935.0000 -217.89226 -212.59753 5.29473 2.10024 -212.78010 501.97900
6940.0000 -217.66070 -212.13112 5.52958 2.11787 -212.43657 508.18004
6945.0000 -217.69947 -212.69138 5.00809 2.12174 -212.36129 518.23044
6950.0000 -218.45493 -213.60910 4.84583 2.06124 -213.54003 461.27943
6955.0000 -218.81767 -213.27978 5.53789 2.08758 -213.02672 479.39367
6960.0000 -217.96799 -212.07595 5.89204 2.11383 -212.51537 495.44253
6965.0000 -217.50469 -212.32907 5.17562 2.12585 -212.28112 485.81258
6970.0000 -216.72031 -211.64268 5.07763 2.12406 -212.31606 478.00070
6975.0000 -216.73450 -211.91242 4.82209 2.14446 -211.91848 492.84407
6980.0000 -217.40964 -212.09385 5.31580 2.13259 -212.14976 482.78613
6985.0000 -217.96854 -212.58682 5.38173 2.11992 -212.39670 490.47388
6990.0000 -217.54273 -212.06429 5.47845 2.14880 -211.83407 498.20489
6995.0000 -217.93393 -212.41802 5.51591 2.07790 -213.21539 445.77742
7000.0000 -217.76111 -212.52523 5.23588 2.11580 -212.47685 483.49056
FREEZING PROCESS: loop number 29 T-loop= 469.00000000000000
main_MD> interactions number 29 at Temperature= 469.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25059 -0.59344 -1.61601
force_rgl> df(natom) 0.07505 1.12809 -0.77976
7005.0000 -218.51284 -212.54636 5.96648 2.11798 -212.43442 490.37107
7010.0000 -218.67018 -213.06361 5.60658 2.08702 -213.03772 484.31710
7015.0000 -217.56341 -211.72458 5.83883 2.09096 -212.96089 485.70957
7020.0000 -218.27471 -212.59743 5.67728 2.11524 -212.48791 499.99962
7025.0000 -218.67222 -212.64648 6.02574 2.07791 -213.21525 484.16016
7030.0000 -218.41182 -213.24443 5.16739 2.10825 -212.62407 505.62358
7035.0000 -218.83411 -214.20259 4.63151 2.05212 -213.71769 456.66807
7040.0000 -219.40298 -214.12399 5.27899 2.06316 -213.50255 490.26638
7045.0000 -219.06418 -213.04302 6.02117 2.07870 -213.19975 511.97470
7050.0000 -219.35072 -214.03296 5.31776 2.04479 -213.86054 487.69121
7055.0000 -219.31847 -213.54224 5.77623 2.06873 -213.39403 512.61185
7060.0000 -219.44978 -213.90038 5.54939 2.03735 -214.00543 482.10407
7065.0000 -219.35345 -213.80711 5.54634 2.03611 -214.02960 479.00068
7070.0000 -219.22814 -214.01498 5.21316 2.05896 -213.58445 490.08416
7075.0000 -219.81872 -214.04749 5.77123 2.03560 -214.03958 473.31914
7080.0000 -219.35493 -213.69506 5.65987 2.04691 -213.81920 474.06415
7085.0000 -219.67449 -213.65344 6.02105 2.04572 -213.84235 482.10896
7090.0000 -218.81993 -213.56696 5.25297 2.07528 -213.26631 503.91650
7095.0000 -219.01860 -213.22308 5.79552 2.03979 -213.95785 479.13239
7100.0000 -218.88253 -214.05899 4.82354 2.06708 -213.42621 495.88408
7105.0000 -219.28590 -214.37539 4.91051 2.02758 -214.19583 466.85171
7110.0000 -218.91795 -213.05873 5.85921 2.06632 -213.44100 503.13124
7115.0000 -219.65423 -215.34180 4.31243 2.02541 -214.23798 461.53387
7120.0000 -219.79850 -214.74787 5.05062 2.00209 -214.69236 449.08360
7125.0000 -219.75594 -214.64937 5.10656 2.00419 -214.65151 450.50758
7130.0000 -219.18408 -214.14113 5.04295 2.02929 -214.16243 463.99430
7135.0000 -219.54776 -214.43021 5.11755 2.02648 -214.21725 463.18738
7140.0000 -219.84508 -214.69647 5.14861 1.99886 -214.75527 436.31628
7145.0000 -218.87398 -213.90357 4.97041 2.03550 -214.04140 458.06152
7150.0000 -219.48525 -214.58255 4.90269 2.02976 -214.15338 467.05295
7155.0000 -220.07317 -214.23477 5.83840 2.02860 -214.17594 471.30475
7160.0000 -219.62741 -214.22139 5.40602 2.01387 -214.46279 452.95989
7165.0000 -219.86639 -214.84636 5.02004 2.02651 -214.21667 468.84322
7170.0000 -219.37235 -214.35347 5.01887 2.02969 -214.15459 469.10042
7175.0000 -218.75476 -214.09839 4.65637 2.05685 -213.62540 488.46346
7180.0000 -219.32620 -214.27320 5.05300 2.03873 -213.97858 479.40130
7185.0000 -219.16819 -214.35355 4.81463 2.04605 -213.83583 454.41305
7190.0000 -219.33387 -214.38397 4.94989 2.03084 -214.13221 463.11748
7195.0000 -220.06154 -215.39689 4.66465 1.99675 -214.79635 440.62445
7200.0000 -220.13587 -215.15506 4.98081 1.99669 -214.79755 439.71790
7205.0000 -219.61400 -214.80534 4.80866 1.99187 -214.89150 426.43536
7210.0000 -219.59626 -214.97832 4.61793 2.00031 -214.72709 441.88784
7215.0000 -219.45537 -214.07471 5.38067 1.99726 -214.78657 426.06798
7220.0000 -219.05118 -214.10091 4.95027 2.02054 -214.33291 439.68579
7225.0000 -218.85115 -214.52001 4.33114 2.05373 -213.68632 482.96617
7230.0000 -219.11293 -213.07916 6.03377 2.03907 -213.97188 466.48410
7235.0000 -219.89533 -214.82322 5.07211 2.03079 -214.13314 480.37083
7240.0000 -220.42113 -214.69526 5.72587 2.03818 -213.98927 496.70894
7245.0000 -219.70228 -214.41872 5.28356 1.99476 -214.83521 462.95809
7250.0000 -218.72904 -212.98956 5.73947 2.02898 -214.16856 485.49917
FREEZING PROCESS: loop number 30 T-loop= 444.00000000000000
main_MD> interactions number 30 at Temperature= 444.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10265 0.02305 1.13600
force_rgl> df(natom) -3.94726 2.99757 -1.19902
7255.0000 -219.22568 -213.65738 5.56830 2.06983 -213.37256 522.06689
7260.0000 -219.79086 -213.51080 6.28006 2.05924 -213.57892 501.13114
7265.0000 -219.89037 -214.55954 5.33083 2.01225 -214.49447 465.75714
7270.0000 -220.07425 -215.18010 4.89415 1.97492 -215.22169 432.52298
7275.0000 -219.67422 -215.12954 4.54468 1.96546 -215.40617 417.01708
7280.0000 -219.02198 -213.52738 5.49460 2.00153 -214.70327 452.07901
7285.0000 -220.53375 -214.65321 5.88054 2.03039 -214.14096 483.45719
7290.0000 -220.24977 -214.90314 5.34663 1.99543 -214.82208 464.64781
7295.0000 -220.60273 -214.78039 5.82234 1.97770 -215.16769 450.49629
7300.0000 -219.92394 -214.37274 5.55120 2.00317 -214.67130 463.17693
7305.0000 -220.14800 -214.83655 5.31145 2.01686 -214.40470 469.16950
7310.0000 -219.75246 -215.09575 4.65671 1.97994 -215.12392 445.15594
7315.0000 -220.26606 -215.69746 4.56861 1.96202 -215.47307 426.34183
7320.0000 -219.57876 -214.98773 4.59102 1.96522 -215.41077 431.03101
7325.0000 -219.75911 -214.76816 4.99095 1.97747 -215.17199 443.84725
7330.0000 -219.86798 -214.76701 5.10097 1.99405 -214.84905 454.51680
7335.0000 -218.91602 -213.62967 5.28635 2.05145 -213.73077 497.67758
7340.0000 -220.16517 -215.06716 5.09801 2.02360 -214.27329 471.53662
7345.0000 -220.15717 -214.54282 5.61435 1.98000 -215.12279 454.91862
7350.0000 -220.22218 -215.72055 4.50163 1.99399 -214.85019 465.03587
7355.0000 -220.52608 -215.17034 5.35574 1.96028 -215.50694 431.34987
7360.0000 -220.62850 -215.44395 5.18456 1.95955 -215.52132 437.82964
7365.0000 -220.20104 -215.77331 4.42774 1.96372 -215.44004 440.02060
7370.0000 -219.86083 -214.44156 5.41927 1.97430 -215.23385 444.49033
7375.0000 -219.83916 -214.66781 5.17135 1.97124 -215.29343 441.55156
7380.0000 -220.85323 -216.24474 4.60848 1.95601 -215.59026 428.30854
7385.0000 -220.76213 -216.01326 4.74887 1.92018 -216.28823 402.15483
7390.0000 -219.53570 -214.40791 5.12779 1.96642 -215.38744 435.15260
7395.0000 -219.20463 -215.03510 4.16953 1.98199 -215.08407 444.74544
7400.0000 -220.69094 -215.62189 5.06905 1.96064 -215.49995 429.96398
7405.0000 -220.04368 -215.28478 4.75890 1.95251 -215.65841 422.57178
7410.0000 -221.07337 -215.91552 5.15785 1.95737 -215.56379 429.32295
7415.0000 -220.24412 -215.76778 4.47635 1.93839 -215.93355 414.70445
7420.0000 -220.91138 -216.13001 4.78137 1.93210 -216.05608 413.68152
7425.0000 -220.56955 -215.30638 5.26317 1.94540 -215.79690 418.28033
7430.0000 -220.45833 -215.23030 5.22803 1.97212 -215.27639 433.39166
7435.0000 -219.88445 -215.22154 4.66291 1.99001 -214.92785 455.15269
7440.0000 -220.69878 -216.03397 4.66482 1.97047 -215.30851 438.10847
7445.0000 -220.74903 -216.43348 4.31555 1.92845 -216.12707 401.36116
7450.0000 -220.04884 -214.59040 5.45843 1.93267 -216.04488 407.48549
7455.0000 -219.80526 -214.68579 5.11948 1.98931 -214.94141 448.01726
7460.0000 -220.45519 -215.20006 5.25513 1.97933 -215.13578 429.44837
7465.0000 -219.16511 -214.31044 4.85467 2.00577 -214.62072 446.55152
7470.0000 -219.59919 -213.92407 5.67512 2.02932 -214.16180 450.78735
7475.0000 -219.47409 -214.26176 5.21234 2.07192 -213.33186 493.37421
7480.0000 -219.83380 -215.09437 4.73943 2.02930 -214.16224 472.07900
7485.0000 -219.89401 -215.19385 4.70015 1.98593 -215.00722 432.79191
7490.0000 -219.90197 -214.63861 5.26336 2.00411 -214.65299 444.72340
7495.0000 -219.27281 -214.36505 4.90777 1.99366 -214.85674 433.75218
7500.0000 -219.08368 -213.71630 5.36738 2.02636 -214.21957 467.38545
FREEZING PROCESS: loop number 31 T-loop= 419.00000000000000
main_MD> interactions number 31 at Temperature= 419.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.86973 2.29325 0.56080
force_rgl> df(natom) 2.10712 -1.55927 3.04686
7505.0000 -220.24127 -215.17272 5.06856 1.99594 -214.81219 439.31559
7510.0000 -220.05369 -214.86504 5.18865 1.97841 -215.15374 423.43604
7515.0000 -219.18209 -214.31680 4.86529 1.99772 -214.77753 437.41816
7520.0000 -219.44754 -214.59794 4.84961 2.02712 -214.20464 466.23978
7525.0000 -220.63328 -215.92784 4.70544 1.95876 -215.53657 415.03669
7530.0000 -220.22006 -216.00731 4.21275 1.95431 -215.62326 403.99442
7535.0000 -219.80679 -214.90696 4.89984 1.95794 -215.55267 408.27967
7540.0000 -218.87150 -214.02135 4.85014 2.01331 -214.47377 449.70348
7545.0000 -220.25677 -215.60964 4.64713 1.98739 -214.97876 432.33353
7550.0000 -220.13600 -215.90081 4.23520 1.96171 -215.47922 414.67845
7555.0000 -220.05847 -215.39617 4.66230 1.96975 -215.32245 417.90712
7560.0000 -220.60267 -216.09021 4.51245 1.95412 -215.62700 406.67796
7565.0000 -220.05445 -215.81158 4.24287 1.94393 -215.82559 406.09583
7570.0000 -220.34950 -215.36629 4.98321 1.94195 -215.86409 409.25448
7575.0000 -220.34834 -215.08073 5.26761 1.97248 -215.26933 437.30970
7580.0000 -219.74832 -215.41789 4.33043 1.97326 -215.25411 431.68604
7585.0000 -220.82637 -216.02975 4.79662 1.93635 -215.97319 408.66904
7590.0000 -220.63905 -215.53514 5.10391 1.96362 -215.44195 428.94444
7595.0000 -220.49864 -215.56916 4.92948 1.98622 -215.00167 442.93795
7600.0000 -220.88620 -215.86824 5.01795 1.94668 -215.77201 407.60251
7605.0000 -220.24319 -215.74442 4.49877 1.97876 -215.14700 444.42261
7610.0000 -220.18498 -214.67577 5.50921 1.97680 -215.18507 438.82738
7615.0000 -219.40953 -214.74476 4.66477 1.98786 -214.96962 442.39271
7620.0000 -220.11868 -215.63705 4.48163 1.98854 -214.95644 434.90525
7625.0000 -220.60658 -215.66770 4.93888 1.96708 -215.37457 413.14977
7630.0000 -220.38326 -215.38521 4.99804 1.94328 -215.83829 416.24315
7635.0000 -220.15235 -215.47517 4.67718 1.94805 -215.74538 417.54375
7640.0000 -221.10882 -215.77615 5.33266 1.92863 -216.12374 401.19780
7645.0000 -220.28536 -216.05691 4.22845 1.97136 -215.29103 423.66895
7650.0000 -220.21859 -215.91345 4.30514 1.93277 -216.04304 399.78393
7655.0000 -220.39585 -215.69495 4.70089 1.94128 -215.87713 419.24355
7660.0000 -220.58842 -215.52271 5.06572 1.95069 -215.69389 433.71894
7665.0000 -220.90576 -216.00069 4.90507 1.94041 -215.89406 421.02290
7670.0000 -220.75064 -216.18385 4.56679 1.92995 -216.09787 415.34265
7675.0000 -221.74564 -216.64326 5.10238 1.91088 -216.46956 399.76318
7680.0000 -221.35425 -216.00988 5.34437 1.92012 -216.28954 413.53344
7685.0000 -221.17364 -216.41723 4.75641 1.91494 -216.39032 410.92194
7690.0000 -220.30281 -215.60646 4.69635 1.92856 -216.12503 419.95723
7695.0000 -219.92437 -214.68097 5.24340 1.97438 -215.23219 444.74055
7700.0000 -220.48405 -214.73836 5.74569 2.00420 -214.65133 479.68437
7705.0000 -220.08723 -216.19810 3.88913 1.96867 -215.34357 446.97330
7710.0000 -221.01827 -216.83679 4.18148 1.89064 -216.86387 382.06253
7715.0000 -221.11266 -216.37392 4.73874 1.91295 -216.42908 400.87239
7720.0000 -220.34232 -215.51702 4.82529 1.92802 -216.13549 414.76523
7725.0000 -221.50469 -216.43769 5.06700 1.92802 -216.13552 414.98215
7730.0000 -220.20728 -215.55796 4.64932 1.95093 -215.68924 435.32354
7735.0000 -219.39126 -214.37565 5.01561 1.99978 -214.73731 466.76486
7740.0000 -221.08803 -215.43259 5.65544 1.98959 -214.93604 463.77663
7745.0000 -221.39726 -217.16463 4.23263 1.92233 -216.24636 411.67221
7750.0000 -220.60298 -216.34304 4.25994 1.89836 -216.71350 395.24573
FREEZING PROCESS: loop number 32 T-loop= 394.00000000000000
main_MD> interactions number 32 at Temperature= 394.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30929 0.96093 -1.06328
force_rgl> df(natom) 2.37303 -2.32333 -2.16011
7755.0000 -220.80765 -216.74994 4.05771 1.89588 -216.76178 392.68418
7760.0000 -221.38749 -217.05235 4.33515 1.88220 -217.02823 380.98375
7765.0000 -220.98359 -217.17903 3.80456 1.88215 -217.02920 379.63776
7770.0000 -220.74634 -216.16723 4.57911 1.89505 -216.77799 386.70925
7775.0000 -220.63780 -216.64666 3.99114 1.94067 -215.88914 419.68428
7780.0000 -221.75839 -217.85718 3.90121 1.87229 -217.22138 368.72230
7785.0000 -221.01301 -217.03499 3.97802 1.86734 -217.31775 365.08994
7790.0000 -220.53238 -216.29473 4.23765 1.88801 -216.91513 386.74700
7795.0000 -220.93429 -216.20328 4.73101 1.91540 -216.38134 407.82853
7800.0000 -220.57077 -216.52586 4.04491 1.91525 -216.38442 405.04657
7805.0000 -220.81511 -216.84375 3.97137 1.88769 -216.92135 381.36636
7810.0000 -221.90952 -218.12426 3.78526 1.87195 -217.22807 371.37930
7815.0000 -220.94657 -217.13373 3.81284 1.85059 -217.64418 353.37502
7820.0000 -222.13909 -217.66212 4.47697 1.85285 -217.60007 355.95394
7825.0000 -222.21349 -217.63792 4.57558 1.85623 -217.53422 358.61597
7830.0000 -221.36081 -216.82827 4.53255 1.86205 -217.42086 365.06927
7835.0000 -221.73336 -217.72682 4.00654 1.87834 -217.10342 378.36123
7840.0000 -221.19866 -217.33271 3.86595 1.87897 -217.09122 376.65894
7845.0000 -220.93304 -216.64528 4.28776 1.89837 -216.71325 392.88409
7850.0000 -220.71921 -216.73771 3.98150 1.90936 -216.49904 398.60926
7855.0000 -221.14250 -216.18586 4.95664 1.90659 -216.55316 395.32287
7860.0000 -221.65616 -217.05639 4.59977 1.89786 -216.72316 395.31623
7865.0000 -220.83819 -216.60412 4.23407 1.89389 -216.80042 387.98320
7870.0000 -221.18303 -217.18207 4.00096 1.91774 -216.33583 400.00621
7875.0000 -220.95266 -216.80571 4.14694 1.88676 -216.93933 381.18373
7880.0000 -222.08568 -217.30088 4.78480 1.87164 -217.23392 374.33849
7885.0000 -220.92575 -216.54620 4.37956 1.89342 -216.80958 389.39239
7890.0000 -221.18056 -216.98525 4.19531 1.88134 -217.04509 381.62078
7895.0000 -220.95330 -216.76049 4.19281 1.88392 -216.99469 379.23269
7900.0000 -221.47120 -216.73919 4.73201 1.88626 -216.94924 386.01248
7905.0000 -220.85881 -215.97622 4.88259 1.90833 -216.51912 401.09347
7910.0000 -220.52429 -216.00111 4.52318 1.92780 -216.13989 416.69415
7915.0000 -220.68841 -216.00715 4.68126 1.93562 -215.98751 411.97994
7920.0000 -220.89114 -215.65464 5.23649 1.96693 -215.37743 441.76485
7925.0000 -220.33056 -216.05024 4.28033 1.94379 -215.82831 427.64618
7930.0000 -221.08989 -216.91121 4.17868 1.92157 -216.26118 405.82906
7935.0000 -220.82754 -216.83638 3.99116 1.91488 -216.39163 403.61624
7940.0000 -221.19704 -216.97433 4.22271 1.88853 -216.90485 384.68446
7945.0000 -221.15134 -216.33375 4.81759 1.92707 -216.15396 417.72806
7950.0000 -221.02491 -216.19677 4.82814 1.92273 -216.23856 411.09565
7955.0000 -221.52658 -217.04768 4.47890 1.90483 -216.58739 396.80265
7960.0000 -221.83860 -217.22087 4.61773 1.86902 -217.28509 369.33633
7965.0000 -221.49754 -217.24311 4.25442 1.87500 -217.16849 374.78296
7970.0000 -221.03397 -216.87265 4.16133 1.90091 -216.66369 395.81498
7975.0000 -221.14617 -215.91080 5.23537 1.92096 -216.27313 404.92238
7980.0000 -220.44299 -214.98858 5.45441 1.96679 -215.38024 440.03400
7985.0000 -220.79893 -216.14514 4.65379 1.93608 -215.97848 421.56299
7990.0000 -220.68014 -216.77559 3.90455 1.90754 -216.53447 393.26288
7995.0000 -220.80341 -216.30725 4.49616 1.91320 -216.42421 404.54618
8000.0000 -221.10775 -216.86726 4.24049 1.90498 -216.58449 394.81209
FREEZING PROCESS: loop number 33 T-loop= 369.00000000000000
main_MD> interactions number 33 at Temperature= 369.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.09765 -1.98661 -0.20694
force_rgl> df(natom) -2.74197 0.07862 -0.01424
8005.0000 -221.73057 -217.46349 4.26708 1.87805 -217.10917 376.80509
8010.0000 -221.20299 -217.54571 3.65728 1.87769 -217.11605 376.76257
8015.0000 -221.30048 -217.73845 3.56203 1.86166 -217.42853 360.26401
8020.0000 -221.70168 -217.56783 4.13385 1.85835 -217.49295 356.26101
8025.0000 -221.59186 -217.58418 4.00768 1.86491 -217.36523 362.00067
8030.0000 -221.47981 -217.41232 4.06748 1.85483 -217.56149 357.30818
8035.0000 -220.95223 -216.32957 4.62266 1.89788 -216.72281 388.61248
8040.0000 -220.50998 -216.37575 4.13423 1.93411 -216.01693 419.99050
8045.0000 -221.14981 -216.47628 4.67353 1.89746 -216.73089 394.26555
8050.0000 -221.34588 -217.29849 4.04739 1.89762 -216.72779 393.43393
8055.0000 -220.92086 -216.58019 4.34067 1.88578 -216.95847 384.28619
8060.0000 -220.99527 -216.72491 4.27036 1.90056 -216.67053 397.40444
8065.0000 -220.94710 -216.36928 4.57782 1.89233 -216.83083 388.03912
8070.0000 -220.93858 -216.63424 4.30434 1.89568 -216.76554 387.13857
8075.0000 -221.43209 -217.54536 3.88672 1.86602 -217.34350 363.17154
8080.0000 -221.41887 -217.44852 3.97035 1.86073 -217.44664 359.45616
8085.0000 -221.65176 -217.54875 4.10301 1.84210 -217.80963 346.30467
8090.0000 -221.22836 -217.22758 4.00077 1.86380 -217.38683 362.32222
8095.0000 -221.53881 -217.34592 4.19289 1.87197 -217.22760 373.71388
8100.0000 -221.51784 -217.32649 4.19136 1.85753 -217.50900 359.41782
8105.0000 -221.62680 -217.20333 4.42347 1.87164 -217.23409 368.47361
8110.0000 -221.45492 -217.59623 3.85869 1.86205 -217.42085 359.87384
8115.0000 -221.24518 -217.17800 4.06719 1.85189 -217.61889 353.31238
8120.0000 -221.09556 -217.40784 3.68772 1.85630 -217.53285 358.73730
8125.0000 -221.54603 -217.31596 4.23006 1.86300 -217.40240 364.32437
8130.0000 -221.79544 -217.23055 4.56490 1.86225 -217.41690 362.95964
8135.0000 -221.01420 -216.86998 4.14423 1.87235 -217.22013 370.05042
8140.0000 -221.67758 -217.58271 4.09487 1.88077 -217.05622 374.97529
8145.0000 -221.36961 -216.70456 4.66505 1.89423 -216.79395 385.22340
8150.0000 -221.97262 -217.64777 4.32484 1.85233 -217.61023 358.05611
8155.0000 -221.84179 -217.34879 4.49299 1.87258 -217.21578 372.88206
8160.0000 -221.08088 -217.03530 4.04558 1.87572 -217.15451 379.65797
8165.0000 -221.27577 -217.21110 4.06466 1.86697 -217.32503 369.79423
8170.0000 -222.00126 -217.87308 4.12819 1.84313 -217.78955 349.45414
8175.0000 -222.29939 -218.41782 3.88157 1.82094 -218.22190 329.72067
8180.0000 -221.81282 -217.79978 4.01304 1.83677 -217.91340 344.72973
8185.0000 -221.95021 -217.60371 4.34650 1.84108 -217.82942 348.38072
8190.0000 -221.58377 -217.84318 3.74060 1.85138 -217.62879 355.45159
8195.0000 -220.76840 -216.62709 4.14131 1.86868 -217.29160 367.86564
8200.0000 -221.08088 -217.10477 3.97611 1.89497 -216.77956 390.75459
8205.0000 -220.65339 -216.63698 4.01642 1.89399 -216.79863 381.93000
8210.0000 -221.33518 -216.74086 4.59433 1.90291 -216.62477 395.39423
8215.0000 -221.07713 -217.45275 3.62438 1.90168 -216.64870 397.27046
8220.0000 -221.35899 -217.30585 4.05314 1.87300 -217.20748 371.00650
8225.0000 -220.95065 -216.54930 4.40135 1.90551 -216.57419 398.47695
8230.0000 -221.48989 -217.38242 4.10747 1.86226 -217.41686 366.84968
8235.0000 -221.50103 -217.57200 3.92903 1.86204 -217.42113 362.98253
8240.0000 -221.33568 -217.47085 3.86483 1.86123 -217.43690 362.01456
8245.0000 -221.32004 -217.06376 4.25628 1.85213 -217.61412 358.28338
8250.0000 -221.38878 -217.42272 3.96606 1.85173 -217.62194 358.42492
FREEZING PROCESS: loop number 34 T-loop= 344.00000000000000
main_MD> interactions number 34 at Temperature= 344.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39445 1.05943 -5.21466
force_rgl> df(natom) 1.69868 2.59398 -0.18508
8255.0000 -221.41249 -217.26709 4.14540 1.87327 -217.20217 372.12135
8260.0000 -221.95488 -218.37423 3.58064 1.84285 -217.79497 348.05048
8265.0000 -222.20355 -218.76525 3.43830 1.80152 -218.60010 313.60611
8270.0000 -222.10834 -218.34818 3.76016 1.79420 -218.74284 310.57553
8275.0000 -222.73883 -218.93684 3.80199 1.78973 -218.82994 304.45368
8280.0000 -222.17830 -218.71371 3.46459 1.80115 -218.60744 316.83148
8285.0000 -222.30454 -218.58877 3.71576 1.79815 -218.66583 314.35086
8290.0000 -222.34099 -218.42474 3.91625 1.81076 -218.42009 322.63931
8295.0000 -221.98900 -218.56227 3.42674 1.81259 -218.38452 322.36240
8300.0000 -221.37836 -217.48926 3.88911 1.83478 -217.95218 340.28337
8305.0000 -222.19027 -218.15142 4.03886 1.84843 -217.68631 347.78100
8310.0000 -221.96511 -218.29109 3.67402 1.80022 -218.62556 314.88641
8315.0000 -221.75521 -217.89578 3.85944 1.82788 -218.08656 334.93653
8320.0000 -221.90208 -217.93252 3.96955 1.83065 -218.03256 337.55790
8325.0000 -221.39752 -217.93769 3.45983 1.82967 -218.05170 332.70605
8330.0000 -222.51149 -218.63493 3.87656 1.81420 -218.35309 322.38175
8335.0000 -222.47299 -218.41823 4.05477 1.79940 -218.64142 316.05760
8340.0000 -222.44042 -218.48131 3.95911 1.79834 -218.66210 314.35552
8345.0000 -221.91962 -218.05060 3.86902 1.81564 -218.32516 324.43789
8350.0000 -222.50561 -218.68501 3.82060 1.81212 -218.39361 324.38231
8355.0000 -221.88391 -218.60795 3.27596 1.81948 -218.25021 328.98482
8360.0000 -221.52274 -217.62804 3.89469 1.79832 -218.66257 312.63718
8365.0000 -221.76252 -217.87410 3.88842 1.84574 -217.73871 353.83804
8370.0000 -221.58775 -217.92224 3.66551 1.86777 -217.30944 368.38010
8375.0000 -221.97616 -217.95568 4.02049 1.83817 -217.88622 347.30335
8380.0000 -221.79226 -218.22119 3.57107 1.83371 -217.97299 340.64025
8385.0000 -221.39381 -217.46845 3.92537 1.83316 -217.98366 339.79042
8390.0000 -221.52753 -217.79851 3.72902 1.84805 -217.69354 350.23171
8395.0000 -221.34468 -216.50923 4.83545 1.86441 -217.37479 360.27761
8400.0000 -221.07366 -217.14028 3.93338 1.89058 -216.86501 383.16592
8405.0000 -221.94662 -217.80169 4.14494 1.85309 -217.59537 353.94457
8410.0000 -222.01237 -217.53724 4.47512 1.85944 -217.47169 355.29706
8415.0000 -221.55565 -218.39941 3.15624 1.84103 -217.83037 346.37399
8420.0000 -221.67539 -217.74781 3.92758 1.82738 -218.09642 333.93696
8425.0000 -221.87897 -217.93057 3.94839 1.83430 -217.96151 342.81100
8430.0000 -221.08391 -217.37080 3.71311 1.84339 -217.78440 346.38836
8435.0000 -221.59667 -217.61651 3.98016 1.86291 -217.40416 365.20066
8440.0000 -221.89837 -218.10414 3.79423 1.83768 -217.89568 346.28971
8445.0000 -221.68215 -217.16438 4.51777 1.85638 -217.53135 358.35863
8450.0000 -221.54144 -217.02450 4.51694 1.86936 -217.27845 369.28389
8455.0000 -221.61950 -218.52044 3.09906 1.85312 -217.59487 354.12309
8460.0000 -222.27325 -219.09467 3.17858 1.78969 -218.83078 306.50589
8465.0000 -221.57858 -217.49927 4.07931 1.81838 -218.27164 329.99508
8470.0000 -221.50163 -218.07457 3.42706 1.83991 -217.85230 345.97939
8475.0000 -221.99113 -218.20510 3.78603 1.82483 -218.14594 332.06634
8480.0000 -221.44971 -217.26959 4.18012 1.85415 -217.57477 361.16009
8485.0000 -221.84762 -217.85637 3.99125 1.84420 -217.76863 352.11813
8490.0000 -221.73100 -217.82535 3.90565 1.84831 -217.68852 347.55012
8495.0000 -221.36751 -217.67811 3.68940 1.84724 -217.70947 352.29519
8500.0000 -221.83930 -218.19115 3.64815 1.83721 -217.90484 346.85247
FREEZING PROCESS: loop number 35 T-loop= 319.00000000000000
main_MD> interactions number 35 at Temperature= 319.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10162 0.70022 -0.15276
force_rgl> df(natom) 0.68012 -1.49570 -1.35449
8505.0000 -221.97702 -218.33575 3.64127 1.80098 -218.61070 315.33656
8510.0000 -222.34215 -218.46625 3.87590 1.80047 -218.62056 314.30865
8515.0000 -221.90090 -218.00062 3.90027 1.81448 -218.34778 325.65994
8520.0000 -222.26930 -218.23223 4.03707 1.82249 -218.19169 333.01386
8525.0000 -222.15769 -218.49714 3.66055 1.82174 -218.20618 330.25605
8530.0000 -222.48604 -218.81650 3.66953 1.80529 -218.52680 316.74845
8535.0000 -221.93744 -218.89778 3.03965 1.80667 -218.49993 320.75861
8540.0000 -222.68399 -219.36842 3.31557 1.77603 -219.09690 294.59008
8545.0000 -221.98771 -218.03097 3.95674 1.80313 -218.56878 315.28448
8550.0000 -221.88946 -218.41043 3.47902 1.81341 -218.36862 322.30283
8555.0000 -221.76378 -218.26450 3.49928 1.81758 -218.28724 329.24145
8560.0000 -221.97847 -218.56962 3.40885 1.81399 -218.35716 325.79152
8565.0000 -222.65945 -218.44701 4.21244 1.79581 -218.71151 311.17914
8570.0000 -222.34971 -218.51848 3.83123 1.79310 -218.76416 306.77758
8575.0000 -221.90695 -218.66664 3.24031 1.80911 -218.45236 315.60235
8580.0000 -222.14772 -218.64840 3.49932 1.79116 -218.80212 302.85176
8585.0000 -221.73474 -218.48684 3.24790 1.79114 -218.80245 305.44828
8590.0000 -222.41834 -218.41070 4.00764 1.81620 -218.31419 325.60302
8595.0000 -222.28103 -218.98060 3.30043 1.79511 -218.72501 311.42907
8600.0000 -222.55511 -219.25318 3.30192 1.77268 -219.16215 294.64653
8605.0000 -222.25715 -218.89332 3.36383 1.77777 -219.06287 298.73907
8610.0000 -222.29919 -219.18713 3.11206 1.77308 -219.15422 292.63997
8615.0000 -222.42355 -218.89487 3.52868 1.78611 -218.90035 305.55735
8620.0000 -222.15162 -218.20106 3.95056 1.78873 -218.84930 308.28241
8625.0000 -222.48042 -219.35411 3.12631 1.81016 -218.43177 324.55083
8630.0000 -222.66386 -219.26608 3.39777 1.76643 -219.28384 287.97545
8635.0000 -221.87088 -218.60323 3.26765 1.79964 -218.63682 316.19197
8640.0000 -222.38957 -219.43087 2.95870 1.79768 -218.67505 312.15698
8645.0000 -221.93347 -218.95168 2.98179 1.76998 -219.21479 287.65177
8650.0000 -222.38382 -219.23043 3.15339 1.78563 -218.90969 302.98938
8655.0000 -221.89945 -218.23910 3.66035 1.80440 -218.54402 312.36254
8660.0000 -221.99872 -218.11628 3.88243 1.80365 -218.55879 314.71011
8665.0000 -222.15276 -217.83921 4.31355 1.82610 -218.12137 332.28199
8670.0000 -222.18874 -218.20756 3.98117 1.83440 -217.95967 344.26357
8675.0000 -221.90382 -218.19133 3.71249 1.81129 -218.40977 324.51932
8680.0000 -221.79244 -218.61616 3.17628 1.81000 -218.43507 321.72185
8685.0000 -222.13678 -218.76489 3.37190 1.79617 -218.70434 312.06698
8690.0000 -221.94603 -218.35170 3.59433 1.80449 -218.54229 318.73674
8695.0000 -222.43433 -218.38809 4.04623 1.81947 -218.25056 328.43294
8700.0000 -222.14353 -218.14157 4.00197 1.82000 -218.24013 330.10179
8705.0000 -222.07976 -218.45777 3.62199 1.79250 -218.77597 306.29735
8710.0000 -222.13769 -218.61980 3.51789 1.81366 -218.36362 323.90604
8715.0000 -222.06598 -219.03890 3.02708 1.80170 -218.59675 315.04826
8720.0000 -222.43691 -218.62833 3.80858 1.80164 -218.59783 315.79517
8725.0000 -221.99474 -218.55912 3.43562 1.78374 -218.94670 300.63156
8730.0000 -222.69311 -219.38424 3.30888 1.77083 -219.19813 292.69874
8735.0000 -222.45151 -219.18312 3.26838 1.76398 -219.33162 285.33688
8740.0000 -222.31795 -218.44947 3.86847 1.80281 -218.57500 317.44550
8745.0000 -222.21965 -218.11083 4.10882 1.81926 -218.25461 327.09719
8750.0000 -222.38502 -218.82204 3.56298 1.80368 -218.55809 317.38742
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 19.2213264 [s].
main_MD> Deallocating global variables
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