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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_43/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_43.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 = 43 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: 43 4300
main_MD> Size of nv and nvoiz: 43 4300
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 = 43
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -1.6944096576637806E-002 -0.12094665090267233 -0.11381774181526710 initial drift of cluster / NP1 for coalescence
init> 0.37709563225240317 0.35332267972024911 0.32953290459018125 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7130278193093914E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.69780 -0.90472 2.39040
force_rgl> df(natom) 1.51962 -1.51160 1.27869
preparo> THERMALIZATION PROCESS AT 1203.6863530842902
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -92.254035273503547 6.4057531713795255 -98.659788444883077 6.1331573478083613E-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= 1171.0000000000000
main_MD> interactions number 1 at Temperature= 1171.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.60378 -0.42495 -1.31237
force_rgl> df(natom) 1.42248 -0.17923 -0.10365
5.0000 -99.34035 -92.72835 6.61200 2.78353 -92.68547 1190.17016
10.0000 -99.15876 -93.03410 6.12465 2.82021 -92.23535 1217.05499
15.0000 -99.51111 -93.29313 6.21798 2.77020 -92.84913 1171.96470
20.0000 -98.82154 -92.86212 5.95942 2.77142 -92.83421 1091.12453
25.0000 -99.52690 -92.47676 7.05014 2.74112 -93.20610 1134.20335
30.0000 -100.34726 -94.03578 6.31149 2.77935 -92.73684 1127.57180
35.0000 -97.70160 -90.65025 7.05135 2.74145 -93.20204 1145.28666
40.0000 -97.70856 -91.13338 6.57517 2.89927 -91.26494 1266.54205
45.0000 -96.76783 -89.46205 7.30578 2.95887 -90.53343 1287.61718
50.0000 -98.92290 -91.62967 7.29323 2.95631 -90.56488 1376.23742
55.0000 -99.91454 -92.93073 6.98380 2.75576 -93.02636 1164.37162
60.0000 -100.02824 -93.62856 6.39968 2.68516 -93.89286 1076.95918
65.0000 -99.03410 -91.99028 7.04382 2.70648 -93.63122 1114.61599
70.0000 -98.84953 -92.64727 6.20226 2.78875 -92.62151 1117.74551
75.0000 -100.06081 -94.70585 5.35497 2.75479 -93.03824 1118.68514
80.0000 -100.18399 -93.97937 6.20462 2.62700 -94.60667 1047.45098
85.0000 -97.92366 -91.18103 6.74263 2.77343 -92.80949 1126.52870
90.0000 -97.89035 -91.02108 6.86927 2.92355 -90.96695 1245.98811
95.0000 -99.69561 -93.04491 6.65070 2.83571 -92.04512 1183.45396
100.0000 -98.15421 -91.62821 6.52600 2.79652 -92.52611 1191.86394
105.0000 -97.72536 -90.75289 6.97248 2.87916 -91.51173 1236.62284
110.0000 -98.10415 -90.57657 7.52758 2.92115 -90.99635 1311.33915
115.0000 -98.96635 -92.31474 6.65161 2.85955 -91.75245 1231.59686
120.0000 -98.58334 -94.15334 4.43001 2.73066 -93.33440 1096.31622
125.0000 -100.21288 -93.90797 6.30490 2.72152 -93.44656 1083.44345
130.0000 -100.24193 -93.68584 6.55609 2.65687 -94.24006 1057.69144
135.0000 -99.98098 -95.06473 4.91625 2.73098 -93.33045 1153.52698
140.0000 -98.65469 -92.67274 5.98195 2.77435 -92.79824 1165.38142
145.0000 -100.24204 -94.58242 5.65962 2.67468 -94.02156 1094.50609
150.0000 -98.45531 -92.05127 6.40405 2.75133 -93.08073 1142.10095
155.0000 -97.54014 -90.83312 6.70702 2.90147 -91.23792 1250.63582
160.0000 -98.59907 -91.50026 7.09881 2.89229 -91.35064 1258.49570
165.0000 -98.25598 -91.51935 6.73663 2.87709 -91.53721 1206.28015
170.0000 -97.53250 -92.63164 4.90085 2.84527 -91.92771 1229.92801
175.0000 -97.05947 -90.50577 6.55370 2.89202 -91.35391 1190.11549
180.0000 -99.04787 -91.34272 7.70515 3.00347 -89.98607 1292.75951
185.0000 -99.69157 -92.75071 6.94086 2.82333 -92.19699 1192.26194
190.0000 -99.11093 -91.28178 7.82915 2.84913 -91.88035 1174.91048
195.0000 -96.95237 -90.57172 6.38065 2.86557 -91.67862 1251.39613
200.0000 -96.96529 -89.11249 7.85280 3.03643 -89.58153 1392.97695
205.0000 -97.84940 -91.11116 6.73824 2.94382 -90.71813 1288.85811
210.0000 -98.40000 -91.71667 6.68333 2.87442 -91.56994 1187.72805
215.0000 -97.02712 -89.33987 7.68725 2.91865 -91.02706 1275.87789
220.0000 -98.40296 -89.88862 8.51434 3.03211 -89.63452 1354.53008
225.0000 -97.87266 -90.99852 6.87414 2.94118 -90.75055 1260.93994
230.0000 -97.71237 -91.76934 5.94304 2.89303 -91.34148 1248.91785
235.0000 -100.01189 -94.79788 5.21401 2.71695 -93.50265 1093.33126
240.0000 -100.59037 -93.09370 7.49667 2.73051 -93.33631 1127.03082
245.0000 -100.31935 -95.12972 5.18963 2.71314 -93.54952 1112.31000
250.0000 -98.89290 -92.90450 5.98840 2.76445 -92.91967 1091.21429
FREEZING PROCESS: loop number 2 T-loop= 1146.0000000000000
main_MD> interactions number 2 at Temperature= 1146.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.09656 2.08342 -2.81657
force_rgl> df(natom) 5.47213 -1.25453 -1.18884
255.0000 -99.02541 -94.38265 4.64276 2.69114 -93.81952 1077.15553
260.0000 -98.19969 -92.54546 5.65423 2.76639 -92.89590 1065.78307
265.0000 -99.18062 -91.34449 7.83613 2.87163 -91.60423 1257.39893
270.0000 -98.03670 -92.13920 5.89750 2.91780 -91.03746 1307.40344
275.0000 -98.12739 -93.01676 5.11063 2.73605 -93.26823 1108.08727
280.0000 -100.65370 -94.99390 5.65980 2.67188 -94.05584 1098.22337
285.0000 -98.33902 -92.44310 5.89592 2.67266 -94.04634 1099.12207
290.0000 -97.62484 -90.20128 7.42356 2.92188 -90.98743 1247.64424
295.0000 -96.58658 -90.32666 6.25993 2.89704 -91.29230 1216.24166
300.0000 -98.04482 -90.43230 7.61251 2.98557 -90.20571 1330.42968
305.0000 -99.02135 -90.96081 8.06054 2.97561 -90.32796 1319.20864
310.0000 -99.88441 -93.50350 6.38092 2.84142 -91.97493 1238.58669
315.0000 -99.56280 -93.28067 6.28213 2.67730 -93.98933 1098.52833
320.0000 -99.66105 -93.58959 6.07146 2.72397 -93.41650 1106.55762
325.0000 -100.32577 -94.70347 5.62230 2.65701 -94.23835 1019.99259
330.0000 -99.21422 -94.08395 5.13027 2.61284 -94.78056 1019.34132
335.0000 -98.31916 -93.75848 4.56068 2.72490 -93.40508 1053.22779
340.0000 -97.39480 -89.84480 7.55000 2.92363 -90.96599 1266.34910
345.0000 -100.56611 -94.16591 6.40020 2.85631 -91.79228 1228.51631
350.0000 -99.60056 -94.64419 4.95637 2.68632 -93.87870 1068.35994
355.0000 -99.46717 -93.01255 6.45462 2.69884 -93.72495 1109.71018
360.0000 -98.99269 -92.42062 6.57207 2.79463 -92.54928 1171.37424
365.0000 -97.41064 -90.36275 7.04790 2.81597 -92.28732 1175.75307
370.0000 -98.61753 -91.38936 7.22817 2.89226 -91.35095 1193.76670
375.0000 -99.74521 -94.39600 5.34921 2.73285 -93.30761 1118.46289
380.0000 -101.46163 -93.55181 7.90982 2.69273 -93.79994 1094.32468
385.0000 -98.39519 -91.50054 6.89464 2.75940 -92.98168 1175.77108
390.0000 -99.96993 -93.58537 6.38455 2.78026 -92.72567 1126.35363
395.0000 -98.00511 -92.41264 5.59247 2.68621 -93.87998 1112.28882
400.0000 -99.27326 -93.16607 6.10718 2.76748 -92.88255 1131.45810
405.0000 -100.91221 -95.26300 5.64922 2.63728 -94.48054 1009.50400
410.0000 -97.21303 -91.55780 5.65523 2.81323 -92.32097 1226.21821
415.0000 -99.27597 -93.10616 6.16982 2.83628 -92.03812 1192.91287
420.0000 -98.69628 -93.70913 4.98715 2.73578 -93.27156 1140.96615
425.0000 -97.80673 -91.56511 6.24162 2.76729 -92.88488 1103.49495
430.0000 -98.11542 -92.59125 5.52418 2.77140 -92.83445 1106.74932
435.0000 -99.04376 -93.15714 5.88662 2.81607 -92.28614 1227.48984
440.0000 -99.29838 -93.01728 6.28110 2.74900 -93.10933 1177.14513
445.0000 -98.18920 -91.40799 6.78122 2.75116 -93.08284 1144.05505
450.0000 -98.61324 -90.45082 8.16242 2.94787 -90.66843 1250.69335
455.0000 -98.76443 -92.08758 6.67686 2.92447 -90.95559 1318.99208
460.0000 -98.57143 -91.75673 6.81470 2.83029 -92.11159 1157.79842
465.0000 -100.51343 -93.15756 7.35587 2.77355 -92.80804 1188.19508
470.0000 -98.71572 -92.76117 5.95455 2.74695 -93.13449 1131.27031
475.0000 -99.54215 -93.66236 5.87979 2.68971 -93.83705 1099.71350
480.0000 -101.34791 -93.16265 8.18526 2.64631 -94.36976 1046.91926
485.0000 -98.50334 -91.53583 6.96752 2.82745 -92.14648 1187.40999
490.0000 -97.87231 -91.34945 6.52286 2.88807 -91.40245 1254.80326
495.0000 -97.46043 -91.67658 5.78385 2.82627 -92.16089 1157.31850
500.0000 -98.92922 -91.90555 7.02367 2.87001 -91.62402 1209.79835
FREEZING PROCESS: loop number 3 T-loop= 1121.0000000000000
main_MD> interactions number 3 at Temperature= 1121.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.01260 3.52085 -0.19004
force_rgl> df(natom) -1.40485 -0.55700 -0.99019
505.0000 -100.09334 -94.63411 5.45923 2.74603 -93.14583 1110.91033
510.0000 -99.39400 -93.52672 5.86728 2.73376 -93.29642 1120.65780
515.0000 -98.39930 -92.57773 5.82157 2.77609 -92.77685 1105.94939
520.0000 -97.01248 -90.84620 6.16628 2.92450 -90.95533 1201.44482
525.0000 -99.12698 -93.16904 5.95793 2.78180 -92.70669 1173.72365
530.0000 -99.17692 -93.46645 5.71047 2.77800 -92.75335 1182.34646
535.0000 -99.32516 -93.10602 6.21913 2.72949 -93.34885 1093.80261
540.0000 -98.51717 -92.40631 6.11086 2.68900 -93.84572 1067.32592
545.0000 -100.20282 -93.55937 6.64345 2.68956 -93.83887 1073.16563
550.0000 -98.84628 -92.63344 6.21283 2.68255 -93.92497 1069.13838
555.0000 -98.72118 -91.94705 6.77413 2.81624 -92.28398 1171.01982
560.0000 -97.51268 -91.06446 6.44822 2.85267 -91.83686 1207.50621
565.0000 -98.97835 -91.97381 7.00454 2.81625 -92.28392 1143.52682
570.0000 -100.95434 -93.80459 7.14976 2.74157 -93.20052 1154.70149
575.0000 -99.54092 -93.82010 5.72082 2.65741 -94.23347 1067.85347
580.0000 -98.76024 -91.75852 7.00172 2.73909 -93.23098 1180.53536
585.0000 -97.75614 -92.23381 5.52233 2.79266 -92.57340 1147.30634
590.0000 -98.02676 -91.02767 6.99909 2.83984 -91.99435 1214.16568
595.0000 -99.70087 -90.19519 9.50568 2.92173 -90.98927 1244.32169
600.0000 -97.21688 -90.69779 6.51909 3.05953 -89.29800 1322.75773
605.0000 -99.24519 -91.88701 7.35819 2.86877 -91.63935 1178.47220
610.0000 -98.17453 -91.39950 6.77503 2.88453 -91.44591 1245.32785
615.0000 -97.18780 -90.35542 6.83239 2.87308 -91.58643 1226.84496
620.0000 -97.57565 -90.07062 7.50503 3.02206 -89.75780 1288.58185
625.0000 -99.49168 -92.39836 7.09332 2.88583 -91.42985 1221.16421
630.0000 -98.27797 -91.16321 7.11476 2.84352 -91.94927 1240.88797
635.0000 -99.31754 -93.06970 6.24785 2.79204 -92.58106 1149.55562
640.0000 -97.71518 -91.15272 6.56246 2.89511 -91.31596 1199.12271
645.0000 -99.03378 -92.45261 6.58117 2.90321 -91.21653 1274.56016
650.0000 -99.92296 -93.56125 6.36171 2.76528 -92.90945 1163.13409
655.0000 -100.66531 -93.58013 7.08518 2.71907 -93.47671 1109.38162
660.0000 -98.61424 -93.27869 5.33555 2.77134 -92.83510 1172.10939
665.0000 -100.34630 -94.07113 6.27517 2.70169 -93.68996 1088.50887
670.0000 -99.95219 -94.42318 5.52901 2.65099 -94.31229 1042.77229
675.0000 -100.02293 -94.58708 5.43585 2.65486 -94.26473 1040.37468
680.0000 -98.66565 -92.69946 5.96619 2.70951 -93.59399 1126.26675
685.0000 -100.00050 -94.01520 5.98530 2.72179 -93.44327 1106.28411
690.0000 -100.70628 -94.69683 6.00945 2.67663 -93.99753 1088.92881
695.0000 -97.88720 -90.96669 6.92051 2.83115 -92.10102 1220.55903
700.0000 -99.23132 -93.29482 5.93651 2.91689 -91.04872 1263.44233
705.0000 -99.75513 -92.73741 7.01772 2.79601 -92.53229 1134.10040
710.0000 -98.20979 -93.88219 4.32760 2.79473 -92.54802 1175.41713
715.0000 -100.38536 -93.56720 6.81816 2.65915 -94.21219 979.38896
720.0000 -99.06853 -91.68269 7.38584 2.73063 -93.33477 1126.52039
725.0000 -98.50092 -92.57556 5.92536 2.85888 -91.76073 1222.74226
730.0000 -99.69572 -93.45602 6.23970 2.68836 -93.85359 1070.86055
735.0000 -96.96914 -91.17628 5.79286 2.79694 -92.52091 1130.06409
740.0000 -98.36892 -91.86001 6.50891 2.90732 -91.16614 1274.56048
745.0000 -98.79105 -92.81991 5.97114 2.80027 -92.48007 1132.28966
750.0000 -98.72595 -91.76876 6.95718 2.81599 -92.28711 1194.60070
FREEZING PROCESS: loop number 4 T-loop= 1096.0000000000000
main_MD> interactions number 4 at Temperature= 1096.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.17210 -4.45257 -4.31426
force_rgl> df(natom) -3.38078 0.57744 1.86038
755.0000 -99.52176 -93.19444 6.32731 2.80952 -92.36654 1197.96076
760.0000 -98.26711 -91.92376 6.34336 2.70347 -93.66813 1078.18088
765.0000 -99.01178 -92.23349 6.77828 2.81974 -92.24110 1232.22865
770.0000 -97.71557 -92.31289 5.40268 2.86005 -91.74637 1223.72597
775.0000 -99.34351 -91.37441 7.96909 2.85066 -91.86156 1208.83275
780.0000 -100.01263 -92.37168 7.64096 2.81265 -92.32810 1184.02213
785.0000 -100.80474 -95.67730 5.12744 2.68767 -93.86207 1066.86255
790.0000 -99.94733 -94.45491 5.49242 2.60948 -94.82176 999.73977
795.0000 -99.25584 -93.36478 5.89106 2.71179 -93.56604 1091.39216
800.0000 -98.44647 -92.49504 5.95143 2.78761 -92.63540 1163.89039
805.0000 -99.23286 -91.53386 7.69900 2.87200 -91.59961 1249.64097
810.0000 -99.18963 -92.71997 6.46966 2.85213 -91.84359 1235.72129
815.0000 -99.79718 -92.93304 6.86414 2.78572 -92.65861 1131.74037
820.0000 -99.13324 -92.89093 6.24231 2.74229 -93.19174 1123.13380
825.0000 -99.21160 -92.55971 6.65189 2.72661 -93.38420 1155.30542
830.0000 -100.77666 -94.32440 6.45226 2.76480 -92.91544 1125.91365
835.0000 -100.40870 -94.96173 5.44698 2.60585 -94.86632 1009.55979
840.0000 -100.14472 -94.87465 5.27007 2.59504 -94.99903 1026.79808
845.0000 -99.67714 -94.31141 5.36573 2.59871 -94.95401 1015.77944
850.0000 -100.80593 -95.08430 5.72164 2.59595 -94.98784 1032.93877
855.0000 -99.61284 -92.86970 6.74314 2.73544 -93.27575 1104.06379
860.0000 -99.22511 -91.54603 7.67908 2.83149 -92.09690 1200.30495
865.0000 -100.15370 -93.87982 6.27388 2.77183 -92.82909 1126.16594
870.0000 -98.64568 -92.89014 5.75554 2.69056 -93.82663 1082.85151
875.0000 -98.19544 -93.26710 4.92834 2.79692 -92.52117 1187.29112
880.0000 -101.13645 -95.94754 5.18891 2.61245 -94.78526 984.77153
885.0000 -99.83410 -95.57554 4.25856 2.60412 -94.88753 1036.26093
890.0000 -100.56321 -94.00871 6.55449 2.66820 -94.10109 1069.84278
895.0000 -99.64127 -94.01506 5.62622 2.66595 -94.12862 1060.41551
900.0000 -100.83240 -93.76226 7.07014 2.69449 -93.77841 1057.48095
905.0000 -101.20610 -94.33046 6.87564 2.67409 -94.02876 1051.93184
910.0000 -100.98119 -94.14851 6.83268 2.68283 -93.92147 1146.43687
915.0000 -100.55689 -94.56462 5.99227 2.59359 -95.01681 1045.91507
920.0000 -98.56663 -94.59802 3.96861 2.68865 -93.84999 1104.90083
925.0000 -99.26030 -92.82369 6.43661 2.71568 -93.51828 1085.54873
930.0000 -99.59800 -93.02812 6.56988 2.74354 -93.17638 1158.01456
935.0000 -100.73193 -93.79716 6.93477 2.72677 -93.38212 1106.99956
940.0000 -100.41159 -93.79893 6.61266 2.72009 -93.46421 1128.83563
945.0000 -100.35724 -93.00618 7.35106 2.65742 -94.23331 1060.94326
950.0000 -100.58229 -93.96490 6.61739 2.68489 -93.89616 1106.15526
955.0000 -101.15003 -95.09197 6.05806 2.68541 -93.88981 1051.47904
960.0000 -99.57682 -93.99905 5.57776 2.63045 -94.56439 1019.91337
965.0000 -99.22295 -93.93200 5.29095 2.69785 -93.73713 1072.16058
970.0000 -99.24976 -93.85382 5.39594 2.70148 -93.69260 1047.29518
975.0000 -98.49662 -93.22884 5.26778 2.66545 -94.13475 1108.26826
980.0000 -98.50779 -91.63327 6.87452 2.82478 -92.17917 1228.45026
985.0000 -99.98006 -93.76186 6.21820 2.85260 -91.83775 1186.34225
990.0000 -101.33591 -96.30451 5.03140 2.56157 -95.40980 980.80761
995.0000 -100.23936 -94.94126 5.29810 2.56670 -95.34680 980.14767
1000.0000 -99.62920 -93.72267 5.90653 2.65882 -94.21624 1055.11512
FREEZING PROCESS: loop number 5 T-loop= 1071.0000000000000
main_MD> interactions number 5 at Temperature= 1071.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92884 -3.28654 -0.77189
force_rgl> df(natom) 3.81319 1.59031 -1.56606
1005.0000 -98.20916 -92.32543 5.88373 2.78129 -92.71303 1161.36799
1010.0000 -98.36222 -92.85988 5.50235 2.75883 -92.98871 1128.28470
1015.0000 -101.84274 -95.36317 6.47957 2.67274 -94.04536 1084.00264
1020.0000 -98.82193 -92.04711 6.77483 2.72593 -93.39243 1115.23003
1025.0000 -99.67940 -94.22556 5.45384 2.74458 -93.16358 1134.01272
1030.0000 -99.29264 -93.35772 5.93492 2.69886 -93.72472 1111.43485
1035.0000 -99.29364 -92.91294 6.38071 2.73610 -93.26766 1127.94923
1040.0000 -100.48083 -92.75464 7.72619 2.71923 -93.47468 1105.94246
1045.0000 -98.70465 -92.32421 6.38044 2.75361 -93.05272 1147.33548
1050.0000 -98.97259 -92.94922 6.02338 2.77090 -92.84055 1127.94271
1055.0000 -99.34473 -92.13667 7.20805 2.79774 -92.51111 1138.38732
1060.0000 -98.47051 -90.26228 8.20823 2.88551 -91.43382 1230.68671
1065.0000 -98.27600 -92.23102 6.04498 2.92342 -90.96850 1258.76508
1070.0000 -99.18227 -93.16761 6.01466 2.81520 -92.29675 1190.57486
1075.0000 -100.12471 -93.49992 6.62479 2.74516 -93.15650 1122.58273
1080.0000 -98.28513 -92.51667 5.76845 2.73288 -93.30722 1093.95127
1085.0000 -100.31551 -94.19885 6.11667 2.75152 -93.07835 1150.16216
1090.0000 -100.44853 -94.30339 6.14514 2.64295 -94.41095 1086.86307
1095.0000 -100.81483 -93.65703 7.15780 2.64837 -94.34441 1068.57495
1100.0000 -99.33179 -92.45845 6.87334 2.76536 -92.90849 1117.00113
1105.0000 -100.22462 -93.92195 6.30267 2.71172 -93.56690 1088.20023
1110.0000 -101.35331 -96.40506 4.94825 2.56945 -95.31304 982.02059
1115.0000 -100.38907 -94.97036 5.41871 2.59394 -95.01248 986.03875
1120.0000 -100.74163 -94.73142 6.01021 2.59868 -94.95435 1039.50680
1125.0000 -100.93321 -95.24058 5.69262 2.60180 -94.91605 1064.24443
1130.0000 -101.17470 -95.63705 5.53765 2.54981 -95.55420 968.73664
1135.0000 -99.87034 -94.30871 5.56162 2.58365 -95.13880 1053.12836
1140.0000 -99.66163 -93.82939 5.83224 2.67193 -94.05530 1098.52508
1145.0000 -100.35940 -94.70188 5.65752 2.66124 -94.18647 1062.17764
1150.0000 -98.15292 -92.47611 5.67680 2.79103 -92.59344 1213.40271
1155.0000 -98.49223 -92.58941 5.90283 2.74988 -93.09848 1110.57844
1160.0000 -99.13846 -93.63329 5.50517 2.74054 -93.21314 1087.12747
1165.0000 -100.76190 -94.03509 6.72681 2.57964 -95.18807 1004.44795
1170.0000 -100.22301 -94.15487 6.06814 2.66967 -94.08299 1059.02972
1175.0000 -100.87904 -94.23022 6.64882 2.64761 -94.35374 989.78179
1180.0000 -97.25685 -90.90969 6.34716 2.72985 -93.34434 1112.94010
1185.0000 -98.91250 -92.11133 6.80117 2.87532 -91.55890 1205.02513
1190.0000 -98.95328 -92.53436 6.41892 2.82101 -92.22545 1275.12441
1195.0000 -99.61219 -93.60795 6.00424 2.74533 -93.15442 1066.99714
1200.0000 -101.99308 -95.39578 6.59729 2.65853 -94.21974 1088.89782
1205.0000 -100.39560 -95.63918 4.75643 2.58794 -95.08617 999.57691
1210.0000 -100.71154 -95.21068 5.50086 2.59033 -95.05684 1010.13646
1215.0000 -100.42431 -94.92874 5.49557 2.60819 -94.83764 1061.22939
1220.0000 -100.78712 -95.09755 5.68957 2.54264 -95.64213 970.55135
1225.0000 -100.58877 -94.64359 5.94518 2.65091 -94.31324 1038.65691
1230.0000 -100.09785 -93.69397 6.40389 2.67586 -94.00698 1035.89673
1235.0000 -100.23609 -95.67209 4.56400 2.63282 -94.53525 989.88270
1240.0000 -100.69695 -95.89075 4.80621 2.59517 -94.99739 976.06020
1245.0000 -101.45349 -95.09327 6.36022 2.53897 -95.68726 968.84849
1250.0000 -100.96785 -95.29173 5.67612 2.58685 -95.09949 982.89775
FREEZING PROCESS: loop number 6 T-loop= 1046.0000000000000
main_MD> interactions number 6 at Temperature= 1046.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24504 0.70412 -2.74952
force_rgl> df(natom) 1.89101 2.42749 0.42873
1255.0000 -100.19884 -94.76672 5.43212 2.61706 -94.72876 1018.25722
1260.0000 -99.37216 -93.86279 5.50937 2.67159 -94.05939 1043.35752
1265.0000 -100.47483 -94.24948 6.22535 2.69073 -93.82452 1098.00637
1270.0000 -100.39301 -94.42551 5.96749 2.64353 -94.40381 1044.46128
1275.0000 -100.09662 -94.42014 5.67648 2.64124 -94.43200 1053.25440
1280.0000 -100.80781 -93.97848 6.82933 2.63822 -94.46906 1020.26290
1285.0000 -100.13644 -93.60878 6.52766 2.67065 -94.07097 1060.83802
1290.0000 -98.96745 -91.95106 7.01639 2.78764 -92.63507 1191.71630
1295.0000 -99.59926 -94.10918 5.49007 2.66556 -94.13340 1051.66976
1300.0000 -99.74432 -94.05352 5.69080 2.66117 -94.18735 1076.62412
1305.0000 -102.38319 -97.65111 4.73208 2.50312 -96.12727 920.78085
1310.0000 -99.98581 -94.67818 5.30763 2.52047 -95.91431 962.96439
1315.0000 -100.98349 -94.89252 6.09097 2.63706 -94.48322 1027.42590
1320.0000 -100.67326 -95.59396 5.07930 2.57776 -95.21104 973.56340
1325.0000 -99.46506 -94.67508 4.78998 2.61152 -94.79678 988.57220
1330.0000 -99.58260 -94.63340 4.94920 2.62081 -94.68271 980.93405
1335.0000 -99.87714 -93.44868 6.42846 2.62588 -94.62043 1044.53737
1340.0000 -100.99499 -94.43764 6.55735 2.67800 -93.98081 1112.12473
1345.0000 -101.81591 -95.59747 6.21844 2.61330 -94.77494 1029.93725
1350.0000 -101.33894 -96.06651 5.27244 2.55817 -95.45151 936.09736
1355.0000 -100.40976 -94.34837 6.06139 2.60625 -94.86136 1022.63290
1360.0000 -99.28733 -93.93120 5.35612 2.64177 -94.42541 1063.62646
1365.0000 -100.90272 -93.56952 7.33320 2.69955 -93.71627 1139.28041
1370.0000 -99.75093 -94.86916 4.88177 2.69524 -93.76912 1095.48905
1375.0000 -100.23863 -95.49673 4.74190 2.59477 -95.00230 1005.69993
1380.0000 -99.97707 -94.01878 5.95829 2.58546 -95.11660 1005.79380
1385.0000 -100.91956 -94.02083 6.89873 2.66588 -94.12958 1067.00294
1390.0000 -99.44703 -93.62219 5.82484 2.68675 -93.87332 1061.15617
1395.0000 -98.45266 -92.72974 5.72292 2.73548 -93.27521 1134.16886
1400.0000 -99.66142 -93.83794 5.82348 2.78835 -92.62637 1112.87618
1405.0000 -101.38109 -93.11078 8.27031 2.67139 -94.06190 1022.76028
1410.0000 -98.66584 -92.91108 5.75476 2.73517 -93.27913 1149.89874
1415.0000 -100.21851 -94.89234 5.32617 2.71810 -93.48863 1148.30402
1420.0000 -100.72324 -94.23772 6.48551 2.66965 -94.08329 1046.13042
1425.0000 -100.20245 -93.75034 6.45211 2.67466 -94.02179 1055.24805
1430.0000 -100.25268 -94.60083 5.65185 2.67125 -94.06363 1070.96407
1435.0000 -99.52539 -93.55708 5.96831 2.72606 -93.39084 1082.97242
1440.0000 -99.16368 -92.84306 6.32062 2.70954 -93.59361 1069.11494
1445.0000 -100.87847 -94.85527 6.02320 2.70872 -93.60370 1112.65511
1450.0000 -98.27701 -93.19783 5.07917 2.68141 -93.93887 1095.76389
1455.0000 -100.32672 -96.06967 4.25704 2.62289 -94.65716 1007.24336
1460.0000 -100.39208 -94.19004 6.20205 2.60601 -94.86431 1019.41882
1465.0000 -100.78892 -95.18397 5.60495 2.56891 -95.31972 951.27561
1470.0000 -100.33390 -94.22404 6.10985 2.61688 -94.73095 1005.91312
1475.0000 -99.69912 -94.37606 5.32306 2.68186 -93.93337 1066.12639
1480.0000 -100.45858 -95.60235 4.85623 2.62677 -94.60950 1036.94104
1485.0000 -101.19241 -96.58492 4.60750 2.56606 -95.35471 954.18570
1490.0000 -99.87670 -94.45658 5.42012 2.61916 -94.70300 1056.27166
1495.0000 -100.28332 -93.28001 7.00331 2.66005 -94.20107 1073.75309
1500.0000 -101.60546 -96.72878 4.87668 2.51942 -95.92718 948.44740
FREEZING PROCESS: loop number 7 T-loop= 1021.0000000000000
main_MD> interactions number 7 at Temperature= 1021.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27480 1.55607 1.68261
force_rgl> df(natom) -1.11138 -1.10894 -0.94786
1505.0000 -100.83931 -95.74222 5.09709 2.55567 -95.48224 972.62583
1510.0000 -100.90599 -96.54797 4.35802 2.51211 -96.01688 907.57329
1515.0000 -101.72449 -97.09589 4.62860 2.46058 -96.64928 880.64144
1520.0000 -101.40510 -95.51901 5.88609 2.52985 -95.79911 1015.79426
1525.0000 -101.62813 -95.31927 6.30886 2.55522 -95.48776 993.82573
1530.0000 -100.65932 -94.89170 5.76762 2.58822 -95.08274 1050.36610
1535.0000 -100.68355 -94.40784 6.27571 2.60458 -94.88189 1026.32434
1540.0000 -100.75466 -95.88793 4.86672 2.56251 -95.39831 1000.30967
1545.0000 -100.68313 -94.60851 6.07462 2.57445 -95.25167 956.70162
1550.0000 -99.91514 -93.71846 6.19668 2.64595 -94.37415 1063.54962
1555.0000 -98.94412 -92.84581 6.09830 2.75991 -92.97537 1104.62533
1560.0000 -100.85697 -95.01543 5.84154 2.67656 -93.99850 1070.05245
1565.0000 -100.59630 -95.65176 4.94454 2.56766 -95.33510 970.78934
1570.0000 -101.54082 -96.28210 5.25872 2.52619 -95.84403 984.77385
1575.0000 -99.84778 -94.98205 4.86573 2.53252 -95.76636 970.02723
1580.0000 -99.37514 -93.56522 5.80991 2.64274 -94.41352 1047.86896
1585.0000 -101.26148 -95.24652 6.01495 2.59804 -94.96221 1030.54398
1590.0000 -99.98444 -95.25326 4.73117 2.55126 -95.53631 944.34406
1595.0000 -101.51752 -95.66196 5.85556 2.54916 -95.56209 961.94212
1600.0000 -101.27389 -96.29735 4.97654 2.57392 -95.25828 972.75766
1605.0000 -100.91057 -94.36966 6.54091 2.57172 -95.28524 1000.90548
1610.0000 -99.98393 -94.32506 5.65887 2.64576 -94.37649 1067.91159
1615.0000 -100.57639 -93.92073 6.65566 2.71395 -93.53949 1101.24857
1620.0000 -100.76356 -94.44057 6.32300 2.64873 -94.33997 1028.61145
1625.0000 -98.31044 -93.79970 4.51074 2.71000 -93.58795 1110.65631
1630.0000 -100.44705 -94.08799 6.35906 2.64458 -94.39100 1030.60240
1635.0000 -100.61749 -95.65234 4.96515 2.61476 -94.75700 1049.73168
1640.0000 -100.42232 -95.41772 5.00460 2.56437 -95.37545 1006.84343
1645.0000 -100.60049 -94.86336 5.73714 2.57976 -95.18654 963.76328
1650.0000 -100.49063 -95.28494 5.20569 2.60632 -94.86062 972.02836
1655.0000 -99.33421 -94.69887 4.63534 2.60042 -94.93297 1031.18244
1660.0000 -99.94805 -93.69308 6.25497 2.60535 -94.87244 982.96665
1665.0000 -100.40337 -94.61183 5.79153 2.67241 -94.04941 1044.40765
1670.0000 -101.11419 -95.35452 5.75966 2.59656 -94.98032 1049.13507
1675.0000 -100.44981 -94.63275 5.81706 2.54141 -95.65725 983.67632
1680.0000 -101.91030 -96.09574 5.81457 2.58430 -95.13082 985.59112
1685.0000 -99.11947 -93.65869 5.46078 2.60616 -94.86249 1029.10666
1690.0000 -100.86302 -96.00123 4.86179 2.58909 -95.07209 1027.28304
1695.0000 -100.79878 -96.27076 4.52803 2.52842 -95.81671 933.87280
1700.0000 -101.62026 -95.03409 6.58617 2.58731 -95.09393 1025.68364
1705.0000 -99.67911 -93.66880 6.01031 2.65721 -94.23591 1071.87512
1710.0000 -100.61037 -95.23945 5.37092 2.55830 -95.44998 989.00419
1715.0000 -100.54358 -94.89525 5.64833 2.58058 -95.17645 1038.12722
1720.0000 -99.98637 -94.37438 5.61199 2.61283 -94.78068 1028.43231
1725.0000 -99.97177 -95.01149 4.96027 2.62018 -94.69048 1037.57444
1730.0000 -99.99380 -94.63653 5.35728 2.60285 -94.90320 980.19269
1735.0000 -98.61723 -93.58723 5.03000 2.62456 -94.63670 989.58232
1740.0000 -99.02262 -94.22042 4.80221 2.65360 -94.28028 1066.15062
1745.0000 -101.71210 -96.12359 5.58851 2.52146 -95.90216 957.91761
1750.0000 -102.61782 -97.51344 5.10438 2.42905 -97.03635 897.87461
FREEZING PROCESS: loop number 8 T-loop= 996.00000000000000
main_MD> interactions number 8 at Temperature= 996.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22085 -0.51079 -1.39022
force_rgl> df(natom) -1.29722 1.48682 0.08308
1755.0000 -102.49077 -97.53726 4.95350 2.39131 -97.49953 855.72178
1760.0000 -101.75890 -97.09111 4.66778 2.43115 -97.01055 894.24713
1765.0000 -101.58329 -97.33890 4.24439 2.41290 -97.23452 862.31509
1770.0000 -100.86371 -95.01872 5.84500 2.53930 -95.68315 958.38257
1775.0000 -102.63067 -96.41537 6.21530 2.57085 -95.29588 975.58011
1780.0000 -101.29099 -96.33343 4.95756 2.52901 -95.80940 995.55857
1785.0000 -102.45864 -95.97956 6.47908 2.54673 -95.59189 1028.34218
1790.0000 -99.63404 -94.06535 5.56868 2.63187 -94.54701 1042.70353
1795.0000 -101.24596 -96.26651 4.97945 2.56977 -95.30912 993.70695
1800.0000 -102.10195 -96.62440 5.47754 2.45705 -96.69261 900.77813
1805.0000 -102.07199 -96.41822 5.65377 2.49894 -96.17857 918.21744
1810.0000 -101.45262 -95.53624 5.91638 2.56706 -95.34248 1018.85457
1815.0000 -101.45456 -96.16597 5.28859 2.48076 -96.40162 931.32989
1820.0000 -100.61107 -95.67813 4.93294 2.48550 -96.34344 941.99749
1825.0000 -100.80062 -95.88775 4.91287 2.55383 -95.50487 991.82636
1830.0000 -101.08074 -94.89665 6.18409 2.55311 -95.51359 984.35156
1835.0000 -101.66204 -94.58296 7.07908 2.60197 -94.91392 1021.23574
1840.0000 -100.96359 -96.79730 4.16629 2.58326 -95.14356 1006.45202
1845.0000 -98.97802 -93.49968 5.47834 2.59901 -94.95028 1014.22917
1850.0000 -99.98722 -95.23998 4.74724 2.63021 -94.56736 1052.72375
1855.0000 -102.50580 -94.86545 7.64035 2.61705 -94.72882 986.57619
1860.0000 -100.55687 -95.97394 4.58293 2.57496 -95.24540 1026.48867
1865.0000 -100.44833 -94.07225 6.37608 2.56259 -95.39731 978.89846
1870.0000 -101.38353 -96.00905 5.37448 2.55191 -95.52834 941.61592
1875.0000 -101.42336 -95.90501 5.51835 2.55745 -95.46037 960.43713
1880.0000 -101.67978 -95.46164 6.21814 2.48237 -96.38193 919.49198
1885.0000 -98.41801 -92.85575 5.56226 2.65130 -94.30849 1035.65783
1890.0000 -99.71652 -94.85899 4.85753 2.69445 -93.77890 1062.89047
1895.0000 -100.33972 -94.93335 5.40637 2.59124 -95.04561 969.33473
1900.0000 -100.45550 -94.51216 5.94334 2.62521 -94.62874 1037.35096
1905.0000 -100.89410 -95.07263 5.82147 2.59958 -94.94333 973.20207
1910.0000 -99.87365 -94.35642 5.51723 2.59511 -94.99809 1017.82397
1915.0000 -99.84750 -93.40354 6.44396 2.67981 -93.95858 1075.31893
1920.0000 -98.92262 -93.02583 5.89679 2.70989 -93.58931 1085.32305
1925.0000 -101.16046 -94.94055 6.21991 2.72223 -93.43785 1071.43365
1930.0000 -102.69347 -96.91358 5.77989 2.48049 -96.40494 930.34482
1935.0000 -101.78797 -95.87450 5.91347 2.47088 -96.52288 894.47878
1940.0000 -100.62878 -95.00789 5.62090 2.55103 -95.53918 930.51276
1945.0000 -101.08187 -96.23444 4.84744 2.59191 -95.03745 1030.98572
1950.0000 -99.57093 -94.11064 5.46029 2.57616 -95.23072 1035.45922
1955.0000 -101.05076 -94.99630 6.05446 2.63265 -94.53744 1068.85775
1960.0000 -100.78333 -95.03095 5.75238 2.62832 -94.59048 1016.49463
1965.0000 -100.81627 -97.14481 3.67146 2.50853 -96.06080 919.51286
1970.0000 -100.78860 -96.15490 4.63370 2.46003 -96.65607 924.78807
1975.0000 -100.70008 -94.98089 5.71919 2.56449 -95.37392 992.70178
1980.0000 -100.88002 -94.44025 6.43977 2.62213 -94.66656 1046.40345
1985.0000 -98.68635 -93.17380 5.51255 2.62703 -94.60642 1024.07170
1990.0000 -101.38725 -95.47156 5.91569 2.71660 -93.50696 1084.97337
1995.0000 -102.29547 -96.24005 6.05542 2.47988 -96.41242 948.22276
2000.0000 -100.72181 -95.27238 5.44942 2.49210 -96.26244 931.63208
FREEZING PROCESS: loop number 9 T-loop= 971.00000000000000
main_MD> interactions number 9 at Temperature= 971.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12109 2.34075 0.46223
force_rgl> df(natom) -4.97368 1.17950 -7.01722
2005.0000 -102.15988 -96.80517 5.35472 2.47374 -96.48786 896.91501
2010.0000 -100.93034 -97.08780 3.84253 2.46615 -96.58102 911.91710
2015.0000 -101.40116 -96.18604 5.21512 2.44886 -96.79316 930.59588
2020.0000 -99.04131 -94.83988 4.20143 2.56601 -95.35535 969.92698
2025.0000 -101.30262 -95.34837 5.95425 2.61877 -94.70775 1044.09803
2030.0000 -102.18251 -96.56259 5.61992 2.52021 -95.91745 953.39976
2035.0000 -99.32954 -95.09137 4.23817 2.56463 -95.37228 1000.33156
2040.0000 -101.72563 -95.67507 6.05056 2.51246 -96.01260 929.39453
2045.0000 -100.96755 -95.94798 5.01957 2.55375 -95.50584 996.62415
2050.0000 -101.75801 -95.97293 5.78508 2.48473 -96.35291 949.38467
2055.0000 -101.00881 -96.36141 4.64740 2.49901 -96.17771 941.24978
2060.0000 -101.38640 -95.69760 5.68881 2.54747 -95.58291 952.47574
2065.0000 -101.73923 -96.99074 4.74849 2.52777 -95.82470 952.28377
2070.0000 -101.47966 -95.51136 5.96830 2.47074 -96.52461 879.08848
2075.0000 -100.35529 -95.75871 4.59658 2.54789 -95.57775 997.16086
2080.0000 -102.25820 -96.97181 5.28638 2.43585 -96.95292 892.95516
2085.0000 -101.29218 -95.54453 5.74766 2.45843 -96.67578 905.08639
2090.0000 -101.34967 -96.00647 5.34321 2.52000 -95.91997 966.58448
2095.0000 -101.42404 -95.70872 5.71532 2.47165 -96.51345 883.38947
2100.0000 -100.34503 -95.91196 4.43307 2.48679 -96.32760 903.58031
2105.0000 -99.39536 -92.29509 7.10027 2.66282 -94.16713 1046.26207
2110.0000 -100.79814 -95.14227 5.65587 2.63852 -94.46534 1016.06460
2115.0000 -100.47054 -95.41423 5.05631 2.53969 -95.67832 981.17973
2120.0000 -100.68399 -95.95440 4.72959 2.56468 -95.37166 1001.44825
2125.0000 -101.35587 -96.16333 5.19254 2.50194 -96.14175 982.29576
2130.0000 -102.62303 -96.55246 6.07057 2.51156 -96.02360 947.09072
2135.0000 -100.01672 -95.79000 4.22672 2.53880 -95.68928 955.12971
2140.0000 -100.24936 -95.17595 5.07342 2.56071 -95.42033 960.57479
2145.0000 -101.16189 -95.81081 5.35108 2.57080 -95.29653 1010.54630
2150.0000 -101.14916 -96.06720 5.08196 2.57141 -95.28904 1016.47038
2155.0000 -100.36820 -94.78472 5.58348 2.53313 -95.75887 965.44715
2160.0000 -101.91866 -95.95591 5.96275 2.60281 -94.90362 1052.85644
2165.0000 -100.90357 -94.33026 6.57331 2.56025 -95.42596 1013.12369
2170.0000 -100.09810 -94.74792 5.35019 2.62388 -94.64506 992.05912
2175.0000 -100.42443 -94.95925 5.46518 2.63113 -94.55601 1048.06331
2180.0000 -101.05284 -95.35659 5.69625 2.59195 -95.03688 1027.87532
2185.0000 -100.35399 -94.29259 6.06140 2.60685 -94.85411 998.62558
2190.0000 -100.58697 -95.00930 5.57768 2.60500 -94.87680 1042.68165
2195.0000 -100.21292 -94.93159 5.28133 2.58375 -95.13753 974.63969
2200.0000 -101.48365 -96.35641 5.12724 2.54000 -95.67454 970.21572
2205.0000 -101.63008 -95.92100 5.70908 2.52683 -95.83615 943.48645
2210.0000 -101.46707 -95.77038 5.69669 2.50534 -96.09994 896.37595
2215.0000 -99.86057 -94.64295 5.21762 2.63118 -94.55539 1036.06143
2220.0000 -101.09656 -95.95197 5.14460 2.58779 -95.08799 968.75438
2225.0000 -100.26012 -94.17890 6.08122 2.58331 -95.14302 984.30742
2230.0000 -99.73780 -94.05107 5.68673 2.64252 -94.41630 1027.33958
2235.0000 -99.48669 -94.62844 4.85825 2.73368 -93.29740 1105.78098
2240.0000 -100.95921 -96.78157 4.17764 2.54745 -95.58311 989.65298
2245.0000 -100.75692 -95.51974 5.23718 2.48369 -96.36575 923.44982
2250.0000 -102.78352 -96.81487 5.96865 2.52197 -95.89590 1003.98494
FREEZING PROCESS: loop number 10 T-loop= 946.00000000000000
main_MD> interactions number 10 at Temperature= 946.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.41016 2.39435 -5.61095
force_rgl> df(natom) -3.68012 0.68518 -0.39442
2255.0000 -101.12620 -96.19058 4.93563 2.51895 -95.93291 972.16424
2260.0000 -100.93722 -96.71750 4.21972 2.51219 -96.01594 926.89946
2265.0000 -100.13705 -94.85383 5.28323 2.56987 -95.30797 947.19076
2270.0000 -101.08312 -95.11605 5.96707 2.66313 -94.16323 1066.06073
2275.0000 -99.70340 -93.81220 5.89120 2.65002 -94.32418 1038.36175
2280.0000 -98.79810 -93.14854 5.64956 2.71233 -93.55942 1110.22573
2285.0000 -99.13141 -94.67210 4.45931 2.67774 -93.98400 1101.47097
2290.0000 -101.06099 -94.93935 6.12164 2.55980 -95.43151 988.73585
2295.0000 -100.91566 -95.97818 4.93748 2.50552 -96.09780 913.78775
2300.0000 -101.17261 -95.62735 5.54526 2.49592 -96.21561 903.11200
2305.0000 -101.94425 -95.77520 6.16905 2.46410 -96.60615 893.13412
2310.0000 -101.43076 -95.74563 5.68513 2.50913 -96.05349 932.25180
2315.0000 -100.57970 -94.43492 6.14479 2.64628 -94.37005 1025.14895
2320.0000 -99.97810 -94.93652 5.04158 2.61661 -94.73425 993.48702
2325.0000 -100.89441 -95.11344 5.78097 2.55010 -95.55064 997.24677
2330.0000 -101.17183 -96.25188 4.91994 2.55206 -95.52657 981.26835
2335.0000 -101.72131 -97.50225 4.21906 2.43283 -96.98998 908.20818
2340.0000 -102.24938 -95.89236 6.35702 2.42107 -97.13425 914.72996
2345.0000 -101.87308 -95.67210 6.20098 2.53223 -95.76998 977.35989
2350.0000 -100.73666 -95.54772 5.18894 2.43116 -97.01037 891.67555
2355.0000 -100.81403 -96.29017 4.52386 2.52256 -95.88858 954.23803
2360.0000 -102.67640 -97.90762 4.76878 2.39304 -97.47835 844.56401
2365.0000 -101.44066 -97.48065 3.96001 2.40031 -97.38906 862.91821
2370.0000 -101.73873 -96.92455 4.81417 2.45139 -96.76217 899.95065
2375.0000 -101.26174 -95.81502 5.44671 2.46689 -96.57186 919.66396
2380.0000 -100.75332 -95.64978 5.10354 2.57657 -95.22575 995.87544
2385.0000 -101.30474 -95.53946 5.76529 2.58699 -95.09781 1009.75089
2390.0000 -101.11651 -95.43987 5.67664 2.56997 -95.30671 1019.74536
2395.0000 -99.90722 -95.02380 4.88342 2.57097 -95.29444 999.65173
2400.0000 -101.02398 -95.38265 5.64134 2.56277 -95.39503 931.98770
2405.0000 -101.41364 -95.82107 5.59257 2.53623 -95.72088 980.40549
2410.0000 -101.04668 -96.05225 4.99442 2.49631 -96.21077 933.02741
2415.0000 -102.15313 -96.10722 6.04591 2.44855 -96.79699 898.57596
2420.0000 -101.15817 -94.40796 6.75021 2.62263 -94.66034 1052.08717
2425.0000 -101.44343 -95.84305 5.60038 2.53592 -95.72457 937.42779
2430.0000 -101.57602 -95.90031 5.67571 2.45784 -96.68302 928.73607
2435.0000 -102.43403 -97.42341 5.01062 2.44579 -96.83088 880.28761
2440.0000 -101.24980 -96.01590 5.23390 2.47553 -96.46580 931.15873
2445.0000 -101.02916 -95.31076 5.71840 2.60842 -94.83484 986.54389
2450.0000 -100.36464 -95.50054 4.86411 2.56554 -95.36104 974.78152
2455.0000 -100.56178 -95.59285 4.96893 2.50725 -96.07649 920.43264
2460.0000 -101.44005 -95.66807 5.77198 2.52520 -95.85617 932.46875
2465.0000 -101.33157 -96.62688 4.70469 2.51868 -95.93621 964.26940
2470.0000 -101.73554 -96.12340 5.61214 2.44022 -96.89923 903.76826
2475.0000 -101.76475 -96.43947 5.32527 2.50525 -96.10111 936.99504
2480.0000 -101.15144 -96.66192 4.48952 2.44573 -96.83155 845.97482
2485.0000 -101.43317 -96.66919 4.76398 2.50426 -96.11321 918.63321
2490.0000 -101.62531 -96.67015 4.95516 2.46873 -96.54932 887.22767
2495.0000 -101.05731 -96.31207 4.74525 2.45266 -96.74649 851.80614
2500.0000 -101.96504 -96.24847 5.71656 2.49766 -96.19417 942.89433
FREEZING PROCESS: loop number 11 T-loop= 921.00000000000000
main_MD> interactions number 11 at Temperature= 921.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.54098 -1.11563 -2.37004
force_rgl> df(natom) 5.89777 -1.95239 0.50615
2505.0000 -100.85751 -94.81704 6.04047 2.53738 -95.70673 994.11056
2510.0000 -101.35877 -95.59983 5.75894 2.54381 -95.62783 977.45963
2515.0000 -100.41024 -95.27515 5.13509 2.54578 -95.60360 945.67649
2520.0000 -101.77160 -96.55830 5.21330 2.51550 -95.97526 923.02752
2525.0000 -102.04088 -96.33520 5.70568 2.47151 -96.51514 924.89567
2530.0000 -102.02939 -96.08230 5.94709 2.47752 -96.44144 924.01833
2535.0000 -102.01009 -97.28297 4.72712 2.38504 -97.57653 841.77403
2540.0000 -101.10361 -95.37280 5.73081 2.43348 -96.98201 891.31677
2545.0000 -101.16151 -96.82792 4.33359 2.52148 -95.90183 992.45500
2550.0000 -101.85052 -96.96693 4.88358 2.42032 -97.14345 882.44065
2555.0000 -102.72541 -97.01460 5.71081 2.45280 -96.74480 909.93042
2560.0000 -100.95818 -96.42534 4.53284 2.45463 -96.72239 909.16377
2565.0000 -102.78385 -97.08083 5.70302 2.43084 -97.01437 832.78526
2570.0000 -102.42832 -97.77107 4.65726 2.39436 -97.46210 879.70015
2575.0000 -102.60471 -97.93619 4.66853 2.36132 -97.86767 843.80999
2580.0000 -101.23270 -96.81598 4.41673 2.39105 -97.50279 833.05558
2585.0000 -102.25045 -96.53695 5.71350 2.50474 -96.10729 922.74540
2590.0000 -102.97096 -98.18546 4.78550 2.38978 -97.51827 869.86331
2595.0000 -102.38166 -96.98838 5.39329 2.32925 -98.26124 825.31049
2600.0000 -101.47046 -96.60190 4.86856 2.42904 -97.03640 898.61364
2605.0000 -101.74895 -97.34678 4.40217 2.43357 -96.98082 903.14099
2610.0000 -101.62584 -97.03934 4.58651 2.41118 -97.25562 851.76231
2615.0000 -100.90404 -95.74917 5.15487 2.51882 -95.93449 960.90942
2620.0000 -100.80354 -96.89077 3.91278 2.50394 -96.11709 918.45627
2625.0000 -101.22963 -96.55148 4.67815 2.50500 -96.10412 924.58775
2630.0000 -102.10304 -96.03203 6.07101 2.45328 -96.73893 894.22521
2635.0000 -100.61671 -95.78357 4.83314 2.49119 -96.27358 935.61207
2640.0000 -100.74765 -94.88599 5.86167 2.55011 -95.55045 977.93975
2645.0000 -101.16014 -95.00404 6.15610 2.66958 -94.08409 1071.73773
2650.0000 -101.47878 -95.40693 6.07185 2.55818 -95.45143 965.46569
2655.0000 -100.72678 -95.96680 4.75998 2.49504 -96.22638 915.58771
2660.0000 -102.15817 -96.80281 5.35536 2.45292 -96.74338 863.71228
2665.0000 -102.51142 -97.11943 5.39199 2.41969 -97.15120 872.97036
2670.0000 -101.06246 -95.85525 5.20720 2.47774 -96.43866 891.64974
2675.0000 -101.48082 -96.52544 4.95537 2.57905 -95.19531 955.77869
2680.0000 -101.62054 -95.69476 5.92578 2.46865 -96.55027 931.07345
2685.0000 -99.95892 -94.64748 5.31144 2.59350 -95.01786 971.38772
2690.0000 -100.71636 -95.79961 4.91675 2.57878 -95.19853 1016.15310
2695.0000 -100.64534 -95.83330 4.81204 2.48619 -96.33498 905.75699
2700.0000 -101.23326 -95.82438 5.40888 2.53436 -95.74379 957.49755
2705.0000 -99.45531 -95.62653 3.82878 2.52048 -95.91410 932.57857
2710.0000 -101.32470 -95.92851 5.39619 2.48610 -96.33613 914.40012
2715.0000 -101.47422 -96.49910 4.97512 2.52605 -95.84582 942.97919
2720.0000 -102.37171 -96.05114 6.32056 2.49307 -96.25052 900.44628
2725.0000 -100.10564 -94.45735 5.64829 2.55690 -95.46718 954.18211
2730.0000 -100.78616 -95.99102 4.79513 2.57328 -95.26612 955.17164
2735.0000 -101.81945 -97.00153 4.81792 2.46601 -96.58266 922.15627
2740.0000 -101.61044 -96.64475 4.96569 2.44446 -96.84719 888.96503
2745.0000 -102.08181 -97.26837 4.81344 2.38222 -97.61107 858.67463
2750.0000 -100.50878 -95.80277 4.70601 2.47354 -96.49026 956.95252
FREEZING PROCESS: loop number 12 T-loop= 896.00000000000000
main_MD> interactions number 12 at Temperature= 896.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.96794 0.64286 -1.72970
force_rgl> df(natom) -5.56236 1.87453 -0.23983
2755.0000 -100.80515 -94.67575 6.12940 2.55967 -95.43312 993.14148
2760.0000 -102.14804 -96.14247 6.00557 2.53548 -95.73007 902.65886
2765.0000 -103.48851 -96.94496 6.54355 2.48703 -96.32468 935.34985
2770.0000 -101.61948 -96.80617 4.81332 2.43900 -96.91420 919.36890
2775.0000 -102.01075 -96.64027 5.37048 2.44863 -96.79604 916.27540
2780.0000 -101.33577 -96.67965 4.65612 2.51887 -95.93394 957.22583
2785.0000 -102.40840 -97.22454 5.18386 2.46376 -96.61035 921.05440
2790.0000 -102.52027 -96.71808 5.80219 2.39476 -97.45718 826.13557
2795.0000 -101.36192 -96.09321 5.26871 2.48523 -96.34681 938.47816
2800.0000 -102.89539 -97.06449 5.83091 2.47454 -96.47796 924.65175
2805.0000 -100.45944 -95.22557 5.23387 2.50836 -96.06296 950.78383
2810.0000 -101.06805 -96.12645 4.94160 2.56986 -95.30809 965.93401
2815.0000 -100.23967 -95.35129 4.88839 2.50560 -96.09673 928.74980
2820.0000 -101.26775 -95.90031 5.36744 2.56287 -95.39383 981.15345
2825.0000 -101.76355 -97.37007 4.39348 2.49295 -96.25207 923.56861
2830.0000 -102.89579 -98.77736 4.11843 2.36161 -97.86412 840.19944
2835.0000 -102.18173 -97.52858 4.65315 2.37190 -97.73779 860.25610
2840.0000 -101.52679 -96.44881 5.07798 2.44028 -96.89847 906.87545
2845.0000 -102.96798 -97.90719 5.06079 2.41899 -97.15982 909.76993
2850.0000 -101.92088 -97.05733 4.86355 2.38017 -97.63624 824.08406
2855.0000 -101.36373 -96.18513 5.17860 2.50623 -96.08908 930.54590
2860.0000 -99.55276 -95.36013 4.19262 2.53786 -95.70085 924.73773
2865.0000 -102.16858 -97.20682 4.96176 2.47093 -96.52235 903.25531
2870.0000 -102.28312 -97.78839 4.49472 2.38639 -97.55997 864.78829
2875.0000 -102.98188 -98.55889 4.42299 2.30124 -98.60503 775.58188
2880.0000 -101.12801 -96.05054 5.07746 2.35757 -97.91365 810.70135
2885.0000 -100.44534 -94.98695 5.45839 2.52900 -95.80951 953.65455
2890.0000 -102.77595 -97.00843 5.76752 2.47787 -96.43715 940.82518
2895.0000 -101.47521 -96.25705 5.21816 2.47986 -96.41264 911.45039
2900.0000 -100.48555 -95.60785 4.87769 2.49076 -96.27894 883.71724
2905.0000 -100.13598 -95.11149 5.02449 2.57195 -95.28245 976.51168
2910.0000 -102.30507 -97.35699 4.94808 2.52018 -95.91779 945.07129
2915.0000 -101.26214 -96.11449 5.14766 2.44892 -96.79240 894.01127
2920.0000 -102.36895 -96.88625 5.48270 2.47491 -96.47344 925.35694
2925.0000 -101.90464 -96.68317 5.22147 2.40457 -97.33677 862.12879
2930.0000 -100.80594 -94.80933 5.99660 2.50190 -96.14224 944.37553
2935.0000 -100.15983 -95.33574 4.82409 2.58096 -95.17180 1009.02749
2940.0000 -100.80112 -95.35027 5.45085 2.53445 -95.74265 953.69189
2945.0000 -101.52742 -96.40035 5.12707 2.52889 -95.81085 908.84239
2950.0000 -102.78444 -97.99504 4.78940 2.42022 -97.14468 888.76924
2955.0000 -103.29463 -98.74891 4.54571 2.34072 -98.12052 810.80355
2960.0000 -103.56772 -98.78112 4.78661 2.32908 -98.26339 801.77532
2965.0000 -101.74304 -97.59991 4.14312 2.33365 -98.20727 794.06673
2970.0000 -101.66769 -97.33771 4.32997 2.40660 -97.31184 851.48050
2975.0000 -102.63835 -98.04458 4.59377 2.37126 -97.74567 819.17779
2980.0000 -102.27860 -97.16081 5.11779 2.41035 -97.26589 875.03670
2985.0000 -101.26927 -96.38916 4.88011 2.49705 -96.20177 941.08476
2990.0000 -102.06449 -98.21436 3.85013 2.46081 -96.64656 888.97559
2995.0000 -102.77123 -97.97461 4.79661 2.31216 -98.47101 762.68388
3000.0000 -102.56137 -97.97465 4.58672 2.29070 -98.73443 805.86049
FREEZING PROCESS: loop number 13 T-loop= 871.00000000000000
main_MD> interactions number 13 at Temperature= 871.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.88379 -0.63087 2.37285
force_rgl> df(natom) -2.41288 -1.79435 -0.34772
3005.0000 -102.16630 -98.12872 4.03758 2.35424 -97.95458 795.20899
3010.0000 -101.61067 -97.53122 4.07944 2.33331 -98.21140 795.72234
3015.0000 -102.41458 -96.85188 5.56269 2.38577 -97.56753 829.15744
3020.0000 -103.85536 -99.52378 4.33158 2.31889 -98.38847 756.30713
3025.0000 -103.18443 -99.17238 4.01205 2.25270 -99.20080 691.99187
3030.0000 -101.90151 -96.84333 5.05818 2.34054 -98.12270 810.84911
3035.0000 -102.74674 -98.26215 4.48459 2.35512 -97.94379 828.89476
3040.0000 -102.47321 -98.59063 3.88258 2.33319 -98.21292 795.39831
3045.0000 -102.30194 -97.96821 4.33373 2.37517 -97.69759 836.03676
3050.0000 -102.65498 -97.72398 4.93100 2.33095 -98.24040 801.94678
3055.0000 -101.74545 -97.52489 4.22056 2.44393 -96.85370 903.21587
3060.0000 -101.58746 -97.09922 4.48824 2.42898 -97.03717 903.58857
3065.0000 -101.30734 -95.78972 5.51762 2.48756 -96.31818 934.54425
3070.0000 -102.47027 -97.19725 5.27302 2.44985 -96.78101 872.40557
3075.0000 -102.80778 -98.02763 4.78016 2.37092 -97.74987 848.46033
3080.0000 -102.34514 -97.92174 4.42339 2.36987 -97.76267 850.79228
3085.0000 -102.32314 -97.71806 4.60508 2.40601 -97.31916 852.58508
3090.0000 -101.92312 -97.49751 4.42560 2.32470 -98.31707 798.26799
3095.0000 -102.02644 -96.77719 5.24925 2.42042 -97.14223 876.34268
3100.0000 -101.07633 -95.27469 5.80164 2.49385 -96.24097 908.97063
3105.0000 -100.71153 -96.05530 4.65623 2.51843 -95.93924 911.01141
3110.0000 -101.39365 -94.82928 6.56437 2.56043 -95.42381 982.03337
3115.0000 -101.78882 -96.39329 5.39554 2.55828 -95.45019 946.27974
3120.0000 -100.19949 -95.91722 4.28228 2.49440 -96.23418 892.62381
3125.0000 -101.11281 -94.65969 6.45312 2.55247 -95.52152 949.82296
3130.0000 -101.44624 -96.95489 4.49135 2.50806 -96.06661 929.20258
3135.0000 -101.50240 -96.86890 4.63350 2.43974 -96.90512 917.70055
3140.0000 -102.22859 -97.38094 4.84766 2.36155 -97.86481 836.23884
3145.0000 -101.76641 -97.15538 4.61103 2.40050 -97.38680 864.26529
3150.0000 -102.26556 -96.52519 5.74037 2.49301 -96.25128 945.99012
3155.0000 -101.01875 -96.11009 4.90867 2.46391 -96.60848 883.85467
3160.0000 -100.80265 -96.01033 4.79232 2.49009 -96.28711 922.66769
3165.0000 -102.06814 -95.32215 6.74599 2.50213 -96.13942 953.83876
3170.0000 -101.40882 -96.58543 4.82339 2.50556 -96.09731 942.23682
3175.0000 -102.80919 -98.13105 4.67813 2.43205 -96.99947 896.68347
3180.0000 -102.25415 -97.64093 4.61322 2.38206 -97.61311 827.39768
3185.0000 -102.32127 -98.52556 3.79570 2.40522 -97.32880 854.51474
3190.0000 -101.59496 -97.75128 3.84368 2.35389 -97.95878 798.29836
3195.0000 -101.07156 -96.45770 4.61386 2.44151 -96.88334 887.94951
3200.0000 -101.42049 -96.38996 5.03053 2.49698 -96.20254 916.48392
3205.0000 -101.51816 -96.27448 5.24368 2.48010 -96.40980 914.77046
3210.0000 -102.27022 -97.73037 4.53985 2.36678 -97.80057 812.18596
3215.0000 -101.79674 -97.69849 4.09825 2.42583 -97.07590 860.78225
3220.0000 -101.47325 -97.07146 4.40179 2.44864 -96.79592 916.56311
3225.0000 -102.57452 -97.54198 5.03255 2.41169 -97.24940 866.69405
3230.0000 -102.05589 -96.37110 5.68479 2.44939 -96.78672 904.36957
3235.0000 -102.19341 -96.80260 5.39081 2.46037 -96.65192 878.28908
3240.0000 -101.27797 -95.67788 5.60009 2.48422 -96.35918 937.86114
3245.0000 -102.05381 -96.52466 5.52915 2.46272 -96.62304 902.33313
3250.0000 -101.78435 -96.76904 5.01531 2.45705 -96.69271 905.22490
FREEZING PROCESS: loop number 14 T-loop= 846.00000000000000
main_MD> interactions number 14 at Temperature= 846.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38342 2.12449 -0.87810
force_rgl> df(natom) 1.12181 -2.26720 -0.54999
3255.0000 -102.41602 -97.00409 5.41193 2.40349 -97.35002 850.34964
3260.0000 -100.77164 -95.64876 5.12288 2.48314 -96.37250 919.33443
3265.0000 -101.47023 -95.40341 6.06682 2.51651 -95.96290 957.19848
3270.0000 -100.80610 -96.40371 4.40239 2.52030 -95.91639 939.08320
3275.0000 -101.09504 -95.75064 5.34440 2.49697 -96.20273 911.43037
3280.0000 -102.28403 -97.19625 5.08778 2.45191 -96.75580 855.43549
3285.0000 -101.62380 -97.80821 3.81559 2.37936 -97.64620 831.97912
3290.0000 -103.35324 -98.78675 4.56649 2.32469 -98.31726 794.00035
3295.0000 -101.77579 -97.70222 4.07357 2.36348 -97.84113 794.68557
3300.0000 -102.86067 -98.39880 4.46186 2.38630 -97.56108 877.39607
3305.0000 -103.63213 -99.35738 4.27475 2.26655 -99.03086 794.13322
3310.0000 -103.09798 -98.93460 4.16338 2.29150 -98.72461 783.38036
3315.0000 -102.14529 -97.71821 4.42708 2.30489 -98.56023 782.82947
3320.0000 -102.10768 -97.86618 4.24150 2.31808 -98.39832 790.67400
3325.0000 -103.80383 -99.89284 3.91099 2.30267 -98.58750 763.73185
3330.0000 -102.12422 -98.78792 3.33630 2.27621 -98.91221 768.19745
3335.0000 -102.84706 -98.83111 4.01595 2.26278 -99.07704 745.99973
3340.0000 -101.96552 -98.46643 3.49909 2.29363 -98.69851 767.39191
3345.0000 -101.31798 -96.39317 4.92481 2.33939 -98.13685 813.75568
3350.0000 -101.43613 -95.93442 5.50171 2.56313 -95.39070 976.78808
3355.0000 -103.09728 -97.25526 5.84203 2.45811 -96.67962 891.34316
3360.0000 -103.06248 -96.45075 6.61173 2.38821 -97.53764 893.37640
3365.0000 -102.70237 -96.39990 6.30246 2.43224 -96.99717 910.09062
3370.0000 -102.04464 -95.86037 6.18427 2.49648 -96.20871 930.78421
3375.0000 -102.07675 -96.08906 5.98769 2.51288 -96.00740 933.19369
3380.0000 -101.31648 -97.06073 4.25576 2.45697 -96.69369 895.44938
3385.0000 -102.20979 -97.15242 5.05736 2.40707 -97.30608 840.52051
3390.0000 -102.85630 -97.74294 5.11336 2.38694 -97.55324 837.81978
3395.0000 -103.40350 -98.14192 5.26157 2.33391 -98.20401 820.29750
3400.0000 -102.14642 -97.27893 4.86749 2.38109 -97.62494 849.56058
3405.0000 -102.37529 -97.38233 4.99296 2.40860 -97.28728 851.75572
3410.0000 -102.95973 -97.85474 5.10499 2.37272 -97.72772 828.27153
3415.0000 -101.51515 -97.12075 4.39440 2.36728 -97.79454 834.79056
3420.0000 -101.76864 -97.52464 4.24400 2.42070 -97.13882 871.67706
3425.0000 -101.68980 -98.26994 3.41986 2.35393 -97.95830 804.35575
3430.0000 -102.64851 -98.10316 4.54535 2.33663 -98.17066 820.00346
3435.0000 -102.32510 -97.44941 4.87569 2.39830 -97.41381 868.68247
3440.0000 -102.16156 -96.91619 5.24537 2.41778 -97.17471 891.52667
3445.0000 -102.44206 -97.99903 4.44304 2.46333 -96.61556 911.55281
3450.0000 -101.11195 -97.55333 3.55862 2.36234 -97.85509 827.83456
3455.0000 -102.38076 -98.42041 3.96035 2.34872 -98.02226 796.76079
3460.0000 -101.73023 -97.69118 4.03905 2.37658 -97.68028 829.15920
3465.0000 -103.19689 -99.28518 3.91171 2.36010 -97.88264 845.24070
3470.0000 -102.12445 -98.18597 3.93848 2.30308 -98.58246 754.09323
3475.0000 -102.48588 -97.90853 4.57735 2.37364 -97.71645 821.01856
3480.0000 -103.03324 -98.46889 4.56435 2.35152 -97.98788 855.14533
3485.0000 -103.68331 -99.27182 4.41148 2.29799 -98.64496 790.64287
3490.0000 -100.97496 -96.32181 4.65315 2.33688 -98.16756 823.11516
3495.0000 -101.46988 -96.85300 4.61688 2.47052 -96.52733 923.42428
3500.0000 -102.26742 -97.14334 5.12408 2.45313 -96.74081 886.33315
FREEZING PROCESS: loop number 15 T-loop= 821.00000000000000
main_MD> interactions number 15 at Temperature= 821.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09484 1.11300 -0.46692
force_rgl> df(natom) -0.34894 2.91016 4.73109
3505.0000 -102.78232 -97.82647 4.95585 2.36144 -97.86618 826.39339
3510.0000 -102.78433 -98.00270 4.78164 2.36834 -97.78148 846.98078
3515.0000 -102.56354 -98.35832 4.20522 2.29401 -98.69376 763.68768
3520.0000 -102.99020 -98.15562 4.83457 2.35387 -97.95909 824.13884
3525.0000 -102.17568 -97.19327 4.98241 2.36627 -97.80692 808.72844
3530.0000 -101.56635 -96.61311 4.95324 2.42063 -97.13969 874.15438
3535.0000 -101.54434 -96.71267 4.83167 2.47070 -96.52515 878.90838
3540.0000 -102.14289 -98.09404 4.04884 2.36454 -97.82806 821.72361
3545.0000 -102.37350 -97.83684 4.53666 2.37253 -97.73001 850.17406
3550.0000 -102.11058 -97.66260 4.44798 2.36686 -97.79962 818.47680
3555.0000 -103.13172 -98.57274 4.55898 2.31612 -98.42238 766.64144
3560.0000 -102.92800 -98.28784 4.64017 2.31208 -98.47195 771.13833
3565.0000 -103.02548 -98.01459 5.01089 2.31659 -98.41663 800.25167
3570.0000 -102.93429 -97.78621 5.14809 2.39051 -97.50930 839.60333
3575.0000 -102.78116 -98.23625 4.54491 2.34250 -98.09864 818.07137
3580.0000 -102.45882 -97.18065 5.27817 2.38703 -97.55212 886.52741
3585.0000 -101.76332 -96.44128 5.32204 2.43460 -96.96823 916.29530
3590.0000 -102.77422 -97.81888 4.95534 2.47197 -96.50950 888.54097
3595.0000 -103.51610 -98.43305 5.08304 2.33405 -98.20233 781.64718
3600.0000 -102.00814 -97.73552 4.27262 2.32340 -98.33305 822.46714
3605.0000 -102.30168 -96.89823 5.40345 2.39228 -97.48766 841.03074
3610.0000 -102.14326 -96.68872 5.45454 2.37970 -97.64206 802.09713
3615.0000 -103.08600 -98.23935 4.84664 2.37836 -97.65843 850.60571
3620.0000 -101.55700 -96.37590 5.18110 2.35718 -97.91844 882.90333
3625.0000 -100.77288 -96.29094 4.48194 2.47100 -96.52139 933.35360
3630.0000 -102.39020 -97.11305 5.27714 2.49895 -96.17845 917.27299
3635.0000 -104.05571 -99.46812 4.58759 2.39120 -97.50089 878.02412
3640.0000 -102.69003 -98.64327 4.04676 2.31614 -98.42220 810.88189
3645.0000 -103.14348 -99.04216 4.10132 2.28404 -98.81615 792.08870
3650.0000 -103.43875 -99.24251 4.19624 2.25073 -99.22497 769.67848
3655.0000 -102.33199 -98.08744 4.24455 2.27459 -98.93212 761.96797
3660.0000 -102.00287 -97.16812 4.83475 2.40924 -97.27943 881.66671
3665.0000 -102.20718 -97.37742 4.82976 2.43145 -97.00693 895.14420
3670.0000 -102.34124 -98.01068 4.33056 2.35080 -97.99676 814.28365
3675.0000 -102.08979 -98.24433 3.84545 2.35719 -97.91836 784.42760
3680.0000 -101.59499 -97.57947 4.01552 2.33814 -98.15215 733.98538
3685.0000 -100.94748 -95.82506 5.12242 2.46391 -96.60853 890.32731
3690.0000 -100.94705 -95.85623 5.09082 2.54448 -95.61957 934.93228
3695.0000 -102.74390 -97.93883 4.80508 2.40715 -97.30518 868.10298
3700.0000 -103.24987 -98.91934 4.33053 2.27064 -98.98061 740.53769
3705.0000 -102.39081 -98.94710 3.44371 2.23594 -99.40650 728.89500
3710.0000 -102.93634 -98.78532 4.15101 2.29975 -98.62334 770.20418
3715.0000 -102.23046 -97.64632 4.58414 2.35890 -97.89728 831.72533
3720.0000 -102.56904 -97.51897 5.05007 2.40047 -97.38713 848.85396
3725.0000 -103.29943 -98.59900 4.70043 2.32916 -98.26236 818.68060
3730.0000 -102.34187 -97.77729 4.56458 2.33450 -98.19677 784.42311
3735.0000 -103.30993 -98.71329 4.59664 2.36685 -97.79975 875.41896
3740.0000 -102.76295 -98.45212 4.31083 2.32077 -98.36539 801.86157
3745.0000 -103.27740 -98.46349 4.81390 2.33300 -98.21526 781.80667
3750.0000 -102.37953 -97.84199 4.53755 2.36588 -97.81167 839.78877
FREEZING PROCESS: loop number 16 T-loop= 796.00000000000000
main_MD> interactions number 16 at Temperature= 796.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.53049 1.35574 2.64581
force_rgl> df(natom) -1.26756 -2.44933 2.59891
3755.0000 -103.34362 -99.93988 3.40374 2.28338 -98.82427 783.70258
3760.0000 -103.07030 -99.51655 3.55375 2.24034 -99.35248 734.89512
3765.0000 -101.78797 -97.10690 4.68107 2.31615 -98.42199 766.57635
3770.0000 -102.48586 -96.77394 5.71192 2.43765 -96.93083 873.98169
3775.0000 -103.01906 -98.15982 4.85924 2.42560 -97.07866 893.71082
3780.0000 -103.59777 -99.21269 4.38508 2.33655 -98.17170 811.45957
3785.0000 -102.96429 -98.30193 4.66236 2.31689 -98.41293 770.99930
3790.0000 -101.81293 -97.34145 4.47148 2.35590 -97.93416 802.26458
3795.0000 -102.42581 -98.21191 4.21390 2.41546 -97.20315 870.92348
3800.0000 -102.63730 -98.52381 4.11348 2.32296 -98.33850 782.64113
3805.0000 -102.98386 -97.79177 5.19209 2.33073 -98.24309 756.76390
3810.0000 -102.90561 -98.57158 4.33403 2.34438 -98.07554 773.30186
3815.0000 -102.13073 -96.76236 5.36838 2.30733 -98.53032 799.95483
3820.0000 -102.77088 -98.14405 4.62684 2.38427 -97.58590 852.48895
3825.0000 -102.71246 -98.41671 4.29575 2.31766 -98.40354 804.84110
3830.0000 -103.39584 -99.42009 3.97575 2.24783 -99.26057 734.68860
3835.0000 -102.33671 -98.59116 3.74555 2.27412 -98.93786 754.07758
3840.0000 -103.58291 -99.24875 4.33416 2.30499 -98.55904 785.21478
3845.0000 -103.94365 -100.46273 3.48092 2.20964 -99.72935 691.78431
3850.0000 -104.00536 -99.88791 4.11745 2.17830 -100.11403 695.23492
3855.0000 -103.82126 -100.03422 3.78704 2.16318 -100.29958 679.75219
3860.0000 -103.08923 -98.88472 4.20450 2.24386 -99.30930 727.46805
3865.0000 -102.21089 -97.66227 4.54861 2.30892 -98.51077 758.24246
3870.0000 -102.37218 -98.94093 3.43126 2.33375 -98.20606 794.12628
3875.0000 -101.90596 -98.13814 3.76782 2.26099 -99.09901 735.15490
3880.0000 -103.03460 -99.41963 3.61497 2.26485 -99.05170 759.74694
3885.0000 -103.53387 -99.09468 4.43919 2.23680 -99.39595 742.57018
3890.0000 -102.45391 -98.72700 3.72691 2.31178 -98.47568 781.76540
3895.0000 -102.45753 -97.24442 5.21311 2.37175 -97.73968 820.51836
3900.0000 -102.20661 -97.91490 4.29172 2.41159 -97.25060 872.03989
3905.0000 -101.88452 -97.89785 3.98667 2.34896 -98.01936 827.44683
3910.0000 -101.65684 -97.92895 3.72790 2.35444 -97.95211 831.66270
3915.0000 -103.66615 -98.49791 5.16824 2.34510 -98.06669 798.19624
3920.0000 -102.50567 -97.69233 4.81334 2.38073 -97.62941 850.00694
3925.0000 -102.74841 -98.13313 4.61527 2.38657 -97.55773 830.22066
3930.0000 -102.84510 -98.03566 4.80943 2.34281 -98.09480 835.22709
3935.0000 -104.02461 -100.24798 3.77663 2.27448 -98.93353 750.69474
3940.0000 -103.62010 -99.79769 3.82241 2.19601 -99.89657 699.86091
3945.0000 -104.15658 -100.42065 3.73593 2.15428 -100.40876 662.63326
3950.0000 -103.10290 -97.95287 5.15003 2.29853 -98.63835 763.62797
3955.0000 -103.01880 -98.62913 4.38967 2.31387 -98.45008 790.88182
3960.0000 -102.92625 -97.81888 5.10738 2.33808 -98.15290 829.07210
3965.0000 -102.33968 -98.62668 3.71299 2.36939 -97.76859 821.38293
3970.0000 -101.94331 -97.57668 4.36663 2.36157 -97.86457 792.67919
3975.0000 -102.33054 -97.88359 4.44695 2.35641 -97.92795 778.36141
3980.0000 -101.80155 -97.34192 4.45962 2.39153 -97.49690 835.50428
3985.0000 -102.00844 -97.25246 4.75597 2.38435 -97.58499 871.13204
3990.0000 -102.53018 -96.90493 5.62525 2.43398 -96.97582 886.61397
3995.0000 -103.11477 -98.35957 4.75519 2.39879 -97.40776 874.56826
4000.0000 -102.25612 -97.08818 5.16794 2.42334 -97.10643 848.86813
FREEZING PROCESS: loop number 17 T-loop= 771.00000000000000
main_MD> interactions number 17 at Temperature= 771.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.11332 0.00801 -2.84135
force_rgl> df(natom) -0.43291 -0.33400 -0.97135
4005.0000 -102.93486 -98.73783 4.19703 2.34101 -98.11689 794.82635
4010.0000 -100.88350 -97.08206 3.80144 2.40038 -97.38828 873.35266
4015.0000 -102.06138 -98.21290 3.84848 2.35228 -97.97855 793.55625
4020.0000 -102.38549 -97.70519 4.68030 2.36172 -97.86270 823.24435
4025.0000 -102.11741 -97.85695 4.26046 2.38449 -97.58325 854.25991
4030.0000 -102.38698 -98.27246 4.11452 2.32587 -98.30268 785.16750
4035.0000 -103.18348 -99.75655 3.42692 2.26425 -99.05911 755.48890
4040.0000 -102.39676 -98.60201 3.79475 2.28284 -98.83088 821.66073
4045.0000 -102.59366 -98.49614 4.09751 2.28626 -98.78887 717.67280
4050.0000 -103.90268 -99.52936 4.37332 2.25223 -99.20660 792.84445
4055.0000 -103.91014 -99.89143 4.01871 2.25043 -99.22863 774.55353
4060.0000 -103.30482 -99.03868 4.26613 2.24240 -99.32728 744.07420
4065.0000 -102.19764 -96.93953 5.25811 2.38510 -97.57579 858.06820
4070.0000 -102.01955 -98.32340 3.69615 2.37445 -97.70644 809.41975
4075.0000 -103.54938 -98.42433 5.12505 2.32255 -98.34346 810.56831
4080.0000 -103.49506 -99.72584 3.76922 2.26694 -99.02601 730.46815
4085.0000 -102.44088 -98.51951 3.92137 2.27330 -98.94797 729.18272
4090.0000 -103.21172 -98.19362 5.01810 2.30134 -98.60381 769.52130
4095.0000 -102.35427 -98.87372 3.48055 2.29341 -98.70114 769.58210
4100.0000 -102.82816 -99.08210 3.74606 2.25086 -99.22340 689.86442
4105.0000 -103.13911 -98.87084 4.26827 2.31273 -98.46397 781.10580
4110.0000 -103.54184 -98.45660 5.08524 2.37003 -97.76077 822.03214
4115.0000 -101.79662 -97.92637 3.87025 2.32404 -98.32523 806.24912
4120.0000 -101.14736 -96.91878 4.22858 2.35699 -97.92074 792.84351
4125.0000 -103.88632 -98.33582 5.55050 2.38525 -97.57395 852.51282
4130.0000 -103.71989 -98.95975 4.76014 2.31737 -98.40707 821.91767
4135.0000 -104.22691 -99.62481 4.60211 2.23355 -99.43590 711.43621
4140.0000 -102.89995 -98.53665 4.36330 2.26473 -99.05314 771.41709
4145.0000 -102.63093 -97.94264 4.68829 2.33662 -98.17085 794.24648
4150.0000 -103.16764 -97.90772 5.25992 2.33153 -98.23327 801.52421
4155.0000 -102.49190 -97.71837 4.77353 2.34309 -98.09141 806.08813
4160.0000 -103.64266 -99.34180 4.30086 2.28874 -98.75842 796.05125
4165.0000 -102.93504 -99.81221 3.12283 2.19576 -99.89974 678.72954
4170.0000 -103.09442 -98.48667 4.60775 2.23999 -99.35681 702.04825
4175.0000 -104.48705 -99.59799 4.88907 2.28231 -98.83736 754.27707
4180.0000 -103.95239 -100.53897 3.41341 2.20321 -99.80827 686.53789
4185.0000 -103.06536 -98.67560 4.38976 2.24464 -99.29968 717.62201
4190.0000 -102.73568 -98.18735 4.54834 2.33365 -98.20725 766.83908
4195.0000 -103.30476 -98.29981 5.00495 2.31086 -98.48701 797.90072
4200.0000 -103.70002 -99.17267 4.52735 2.25081 -99.22399 759.83641
4205.0000 -102.73828 -98.48062 4.25766 2.28357 -98.82197 777.37303
4210.0000 -103.14719 -99.16672 3.98047 2.31104 -98.48477 814.86307
4215.0000 -102.83232 -99.55317 3.27914 2.24181 -99.33443 730.59398
4220.0000 -103.13471 -99.21475 3.91996 2.27576 -98.91780 760.07919
4225.0000 -103.06169 -99.11829 3.94340 2.25298 -99.19737 747.55997
4230.0000 -103.19809 -99.10650 4.09160 2.26589 -99.03892 711.08027
4235.0000 -103.77693 -99.61534 4.16158 2.24834 -99.25436 730.92576
4240.0000 -102.65942 -99.01866 3.64076 2.25959 -99.11626 737.04919
4245.0000 -102.94536 -99.40941 3.53595 2.25857 -99.12876 689.76419
4250.0000 -102.41123 -98.38956 4.02167 2.26719 -99.02300 734.82031
FREEZING PROCESS: loop number 18 T-loop= 746.00000000000000
main_MD> interactions number 18 at Temperature= 746.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.36656 -1.04357 3.41071
force_rgl> df(natom) 0.43825 -3.55951 -0.33547
4255.0000 -102.34726 -97.34732 4.99994 2.31514 -98.43441 802.77584
4260.0000 -103.57532 -97.82336 5.75196 2.41768 -97.17594 901.23481
4265.0000 -102.86179 -99.27564 3.58614 2.29791 -98.64595 755.08086
4270.0000 -103.49242 -99.45463 4.03778 2.25356 -99.19029 716.73787
4275.0000 -103.16930 -98.32277 4.84652 2.29872 -98.63595 788.26856
4280.0000 -103.48922 -99.00042 4.48880 2.24948 -99.24036 751.21104
4285.0000 -103.77268 -100.30530 3.46738 2.19301 -99.93340 679.82930
4290.0000 -103.85759 -99.45854 4.39904 2.22437 -99.54851 732.55452
4295.0000 -103.65208 -99.84950 3.80258 2.24668 -99.27466 764.36452
4300.0000 -102.13974 -98.11150 4.02824 2.26670 -99.02904 709.01601
4305.0000 -103.24892 -98.48690 4.76202 2.34639 -98.05089 807.23453
4310.0000 -103.63887 -99.38006 4.25882 2.28580 -98.79458 763.02868
4315.0000 -103.11695 -98.70269 4.41426 2.22626 -99.52531 733.55192
4320.0000 -102.63247 -99.76960 2.86287 2.26139 -99.09417 724.27074
4325.0000 -104.08188 -99.24411 4.83777 2.26443 -99.05684 736.47725
4330.0000 -103.66820 -100.57628 3.09192 2.18848 -99.98905 706.76993
4335.0000 -103.76360 -99.60102 4.16258 2.16134 -100.32213 676.56040
4340.0000 -102.61973 -98.35159 4.26814 2.24859 -99.25130 762.07159
4345.0000 -103.37398 -99.42796 3.94603 2.32740 -98.28399 814.07234
4350.0000 -104.06855 -100.53796 3.53059 2.21624 -99.64830 708.47711
4355.0000 -103.49239 -100.34999 3.14240 2.19681 -99.88680 691.75722
4360.0000 -103.23018 -99.89215 3.33803 2.16752 -100.24633 681.55126
4365.0000 -102.63056 -98.45245 4.17811 2.21137 -99.70810 692.68138
4370.0000 -102.20317 -97.37006 4.83311 2.32205 -98.34961 790.51790
4375.0000 -101.91280 -97.91062 4.00218 2.46212 -96.63042 864.14531
4380.0000 -102.30282 -97.99435 4.30848 2.35461 -97.94997 828.23195
4385.0000 -102.54740 -98.29237 4.25503 2.35638 -97.92823 803.33295
4390.0000 -103.11840 -99.23075 3.88765 2.30499 -98.55907 761.87157
4395.0000 -102.25789 -99.02752 3.23037 2.29228 -98.71498 760.41904
4400.0000 -103.25754 -99.49366 3.76388 2.28008 -98.86478 757.93493
4405.0000 -102.98420 -98.62869 4.35552 2.29790 -98.64603 781.68578
4410.0000 -102.55154 -97.77522 4.77633 2.31580 -98.42630 768.74174
4415.0000 -103.15792 -98.58908 4.56884 2.35746 -97.91496 844.57338
4420.0000 -103.13638 -98.83087 4.30551 2.27952 -98.87168 765.71186
4425.0000 -103.51343 -98.26944 5.24398 2.32911 -98.26298 811.84398
4430.0000 -103.67977 -99.16830 4.51147 2.27614 -98.91307 748.74317
4435.0000 -103.37160 -98.77641 4.59519 2.28395 -98.81724 760.57989
4440.0000 -103.38317 -99.16813 4.21504 2.22697 -99.51663 691.12758
4445.0000 -103.67325 -98.20886 5.46439 2.28720 -98.77736 792.21718
4450.0000 -104.19274 -98.68287 5.50987 2.27076 -98.97910 812.05084
4455.0000 -103.42707 -98.68308 4.74399 2.28630 -98.78840 776.80360
4460.0000 -103.34845 -98.34115 5.00730 2.30179 -98.59835 780.67697
4465.0000 -103.14622 -98.74016 4.40606 2.32171 -98.35374 793.78166
4470.0000 -104.43780 -100.35342 4.08438 2.20653 -99.76745 712.53704
4475.0000 -103.65770 -99.59891 4.05879 2.14680 -100.50065 675.22387
4480.0000 -103.18787 -99.65540 3.53247 2.21391 -99.67692 709.97119
4485.0000 -103.07494 -99.17919 3.89575 2.25748 -99.14218 706.51770
4490.0000 -102.59340 -97.79608 4.79732 2.28497 -98.80473 756.89321
4495.0000 -102.53264 -98.48134 4.05131 2.34129 -98.11348 789.81904
4500.0000 -102.86244 -98.75411 4.10833 2.32342 -98.33283 763.22571
FREEZING PROCESS: loop number 19 T-loop= 721.00000000000000
main_MD> interactions number 19 at Temperature= 721.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.94602 -1.17350 -0.61093
force_rgl> df(natom) 0.43965 -1.66125 1.77018
4505.0000 -103.24331 -98.70469 4.53863 2.27681 -98.90486 756.31132
4510.0000 -103.91678 -99.91034 4.00644 2.23789 -99.38256 745.53593
4515.0000 -104.33050 -100.37675 3.95375 2.19599 -99.89682 721.75240
4520.0000 -103.71534 -99.23358 4.48176 2.20064 -99.83976 693.59290
4525.0000 -103.97238 -100.79326 3.17912 2.16363 -100.29404 682.96499
4530.0000 -104.70814 -101.26725 3.44089 2.12142 -100.81212 646.45293
4535.0000 -103.30643 -99.98978 3.31665 2.11457 -100.89621 655.61025
4540.0000 -102.92886 -99.10060 3.82825 2.20693 -99.76256 713.35425
4545.0000 -103.12496 -99.19335 3.93160 2.24589 -99.28444 739.21656
4550.0000 -101.95592 -98.29517 3.66075 2.31336 -98.45623 767.44259
4555.0000 -103.16876 -99.46657 3.70219 2.32869 -98.26818 830.48701
4560.0000 -102.80088 -97.28588 5.51500 2.30779 -98.52462 807.13094
4565.0000 -102.97159 -99.03309 3.93850 2.33511 -98.18934 826.14723
4570.0000 -103.11684 -99.47026 3.64657 2.27414 -98.93772 715.31261
4575.0000 -103.09562 -99.37846 3.71717 2.27235 -98.95966 745.99557
4580.0000 -103.85854 -99.82669 4.03185 2.25527 -99.16928 750.13672
4585.0000 -104.82301 -100.41979 4.40322 2.18756 -100.00031 683.62666
4590.0000 -103.82742 -99.49402 4.33340 2.20652 -99.76759 692.69492
4595.0000 -103.53425 -98.59739 4.93686 2.24200 -99.33214 733.45173
4600.0000 -102.99533 -99.20920 3.78613 2.29736 -98.65261 781.01240
4605.0000 -102.09859 -98.38497 3.71362 2.31254 -98.46636 781.84328
4610.0000 -103.72660 -99.35264 4.37396 2.24795 -99.25907 748.95606
4615.0000 -103.74025 -99.97281 3.76744 2.20086 -99.83710 673.47608
4620.0000 -103.77075 -100.05812 3.71263 2.10949 -100.95849 627.85448
4625.0000 -102.33633 -98.40019 3.93615 2.20080 -99.83783 693.01030
4630.0000 -102.46877 -99.02834 3.44043 2.30186 -98.59748 786.69171
4635.0000 -103.86938 -99.22613 4.64325 2.25100 -99.22170 745.40486
4640.0000 -102.90474 -99.02951 3.87523 2.24394 -99.30835 747.60291
4645.0000 -103.98674 -99.88028 4.10646 2.22592 -99.52948 694.10302
4650.0000 -104.38965 -99.84776 4.54189 2.20949 -99.73116 713.53021
4655.0000 -103.11092 -98.03084 5.08008 2.27952 -98.87166 762.52940
4660.0000 -102.96079 -97.86441 5.09637 2.34197 -98.10512 823.18473
4665.0000 -102.26937 -96.46223 5.80714 2.43049 -97.01865 900.84074
4670.0000 -102.29284 -98.16756 4.12528 2.34982 -98.00882 818.02994
4675.0000 -102.80469 -98.05695 4.74774 2.34419 -98.07785 795.99864
4680.0000 -102.91146 -98.59912 4.31234 2.30803 -98.52165 814.09859
4685.0000 -102.37965 -97.59538 4.78427 2.31718 -98.40938 784.59817
4690.0000 -101.21914 -96.96939 4.24975 2.43933 -96.91012 869.54612
4695.0000 -102.92729 -98.81112 4.11617 2.36658 -97.80305 820.07162
4700.0000 -103.71459 -99.45550 4.25909 2.27580 -98.91725 754.04020
4705.0000 -102.78374 -98.62007 4.16367 2.26262 -99.07907 728.25106
4710.0000 -103.56461 -100.36656 3.19805 2.23772 -99.38464 714.00964
4715.0000 -104.72919 -100.14496 4.58423 2.19559 -99.90174 687.46805
4720.0000 -102.41122 -98.18627 4.22494 2.20412 -99.79714 722.10311
4725.0000 -103.12675 -98.55418 4.57256 2.32934 -98.26014 777.79652
4730.0000 -102.32047 -98.95346 3.36701 2.27261 -98.95645 742.69153
4735.0000 -103.08857 -97.78227 5.30630 2.34564 -98.06004 816.66030
4740.0000 -102.39692 -98.13206 4.26486 2.33000 -98.25202 757.61558
4745.0000 -103.58708 -98.64407 4.94301 2.30572 -98.55002 751.17609
4750.0000 -103.44613 -99.11543 4.33070 2.26741 -99.02025 765.00952
FREEZING PROCESS: loop number 20 T-loop= 696.00000000000000
main_MD> interactions number 20 at Temperature= 696.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.78927 -1.15220 -4.05819
force_rgl> df(natom) 0.26317 2.42088 -0.02275
4755.0000 -103.19139 -99.90656 3.28483 2.24802 -99.25825 727.51373
4760.0000 -104.29643 -99.96905 4.32738 2.19447 -99.91550 698.02854
4765.0000 -104.50774 -101.10271 3.40503 2.13832 -100.60474 651.47847
4770.0000 -104.57680 -101.04962 3.52718 2.11606 -100.87790 606.17954
4775.0000 -103.85321 -99.70803 4.14518 2.19633 -99.89271 727.79432
4780.0000 -104.34526 -100.47668 3.86858 2.17676 -100.13291 660.60781
4785.0000 -103.04593 -99.55224 3.49369 2.21702 -99.63878 708.01974
4790.0000 -102.67395 -99.12753 3.54642 2.25239 -99.20466 731.36778
4795.0000 -103.57918 -98.37688 5.20230 2.27915 -98.87622 763.47859
4800.0000 -104.64771 -100.79642 3.85130 2.18775 -99.99803 699.65481
4805.0000 -104.32843 -100.67682 3.65161 2.10949 -100.95853 617.08453
4810.0000 -104.69068 -100.66754 4.02314 2.16019 -100.33622 693.41401
4815.0000 -103.17915 -100.07983 3.09932 2.17686 -100.13166 694.44815
4820.0000 -103.29910 -99.83645 3.46265 2.21785 -99.62852 689.31288
4825.0000 -104.26415 -100.86292 3.40123 2.12128 -100.81387 618.91112
4830.0000 -103.99636 -100.68921 3.30715 2.11154 -100.93343 644.53121
4835.0000 -104.20629 -100.79137 3.41491 2.11462 -100.89553 613.04517
4840.0000 -104.21763 -100.61417 3.60346 2.14691 -100.49920 648.09944
4845.0000 -103.72979 -100.18864 3.54115 2.13969 -100.58789 651.77187
4850.0000 -104.16699 -100.72876 3.43823 2.12934 -100.71488 620.52562
4855.0000 -103.66883 -99.35983 4.30900 2.16673 -100.25601 619.97986
4860.0000 -102.88994 -98.37298 4.51696 2.27158 -98.96908 717.36843
4865.0000 -103.25393 -98.83026 4.42367 2.27647 -98.90911 714.12285
4870.0000 -103.91366 -100.57141 3.34225 2.18743 -100.00197 675.94282
4875.0000 -103.73079 -99.07925 4.65154 2.18245 -100.06306 680.40489
4880.0000 -104.49482 -100.48663 4.00818 2.18316 -100.05436 705.17275
4885.0000 -104.51171 -100.67962 3.83209 2.13490 -100.64673 664.40269
4890.0000 -104.20203 -101.20516 2.99688 2.09545 -101.13086 624.12522
4895.0000 -103.42937 -98.99883 4.43054 2.14752 -100.49174 662.25294
4900.0000 -104.15151 -100.73007 3.42145 2.18350 -100.05020 700.06637
4905.0000 -103.50188 -98.81164 4.69024 2.20747 -99.75600 717.22585
4910.0000 -101.18469 -97.26934 3.91534 2.34420 -98.07782 775.21798
4915.0000 -103.90580 -99.82072 4.08508 2.30054 -98.61363 804.55171
4920.0000 -103.68793 -99.73372 3.95421 2.19576 -99.89964 699.72535
4925.0000 -103.93955 -99.80919 4.13036 2.17963 -100.09770 681.91588
4930.0000 -102.68126 -99.12790 3.55336 2.22012 -99.60074 682.71723
4935.0000 -102.91846 -98.19472 4.72374 2.23383 -99.43240 712.85224
4940.0000 -101.96579 -97.65653 4.30927 2.32643 -98.29593 797.97004
4945.0000 -104.01019 -99.48550 4.52469 2.27079 -98.97874 779.81099
4950.0000 -103.37592 -99.38872 3.98720 2.22912 -99.49023 731.73069
4955.0000 -104.32146 -100.24988 4.07158 2.21464 -99.66799 710.60507
4960.0000 -104.61966 -99.78288 4.83679 2.18704 -100.00670 722.30235
4965.0000 -104.32996 -100.34154 3.98842 2.15681 -100.37775 681.18413
4970.0000 -104.48814 -100.59998 3.88816 2.17369 -100.17059 674.33594
4975.0000 -104.31245 -101.11149 3.20096 2.14683 -100.50028 675.31657
4980.0000 -104.01453 -100.59949 3.41504 2.12312 -100.79130 611.89593
4985.0000 -102.67529 -99.46939 3.20591 2.18934 -99.97842 688.36122
4990.0000 -103.52516 -99.88158 3.64358 2.20712 -99.76029 690.44127
4995.0000 -102.77156 -99.28455 3.48702 2.22966 -99.48366 686.08136
5000.0000 -103.80400 -100.50154 3.30246 2.18362 -100.04871 664.64870
FREEZING PROCESS: loop number 21 T-loop= 671.00000000000000
main_MD> interactions number 21 at Temperature= 671.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64061 1.08872 0.13302
force_rgl> df(natom) -0.54966 -1.17634 -1.54839
5005.0000 -103.60511 -99.94868 3.65643 2.18313 -100.05476 701.81502
5010.0000 -104.40147 -100.46076 3.94071 2.18564 -100.02393 693.08919
5015.0000 -103.36207 -99.00845 4.35362 2.18482 -100.03397 655.43661
5020.0000 -103.69910 -99.28907 4.41002 2.28042 -98.86058 732.06659
5025.0000 -103.91008 -100.74873 3.16135 2.18554 -100.02517 683.19927
5030.0000 -103.21581 -99.98061 3.23520 2.14961 -100.46615 646.99841
5035.0000 -103.34698 -99.58657 3.76041 2.20068 -99.83934 706.77542
5040.0000 -104.28845 -100.59476 3.69370 2.23288 -99.44402 727.18842
5045.0000 -103.38005 -100.12716 3.25289 2.16240 -100.30913 679.13422
5050.0000 -104.21557 -100.51221 3.70335 2.16614 -100.26325 675.38290
5055.0000 -104.58958 -101.41137 3.17821 2.15032 -100.45736 635.64863
5060.0000 -104.31240 -101.05434 3.25806 2.11313 -100.91381 610.60111
5065.0000 -104.34788 -100.92819 3.41969 2.08455 -101.26467 599.66374
5070.0000 -102.93492 -99.36500 3.56993 2.17837 -100.11318 673.23614
5075.0000 -103.74248 -99.94252 3.79997 2.20797 -99.74987 684.42083
5080.0000 -102.37125 -98.74183 3.62941 2.21550 -99.65740 665.98661
5085.0000 -103.25004 -98.67653 4.57351 2.24238 -99.32744 716.62199
5090.0000 -104.18088 -100.47472 3.70616 2.25676 -99.15099 745.77765
5095.0000 -103.85132 -99.83255 4.01877 2.20468 -99.79020 715.64135
5100.0000 -103.32871 -99.62885 3.69987 2.22795 -99.50464 732.05890
5105.0000 -103.74972 -99.14822 4.60151 2.19806 -99.87144 693.45912
5110.0000 -104.10647 -100.69541 3.41106 2.19285 -99.93536 712.66092
5115.0000 -104.03296 -100.16560 3.86735 2.16993 -100.21670 671.59658
5120.0000 -104.52556 -100.81786 3.70770 2.15374 -100.41547 640.84576
5125.0000 -104.40555 -100.80535 3.60020 2.11447 -100.89748 654.71059
5130.0000 -104.30036 -100.49811 3.80224 2.15306 -100.42375 656.30047
5135.0000 -103.46686 -99.51441 3.95245 2.23583 -99.40783 749.50431
5140.0000 -102.57452 -99.10087 3.47365 2.25025 -99.23094 730.65274
5145.0000 -103.69818 -100.40681 3.29137 2.24845 -99.25301 729.70683
5150.0000 -104.03598 -99.80760 4.22838 2.19848 -99.86630 695.63720
5155.0000 -104.27350 -101.49848 2.77502 2.13618 -100.63100 629.28599
5160.0000 -104.40374 -101.65563 2.74811 2.05435 -101.63532 566.24913
5165.0000 -104.87849 -101.20570 3.67279 2.05514 -101.62563 560.90602
5170.0000 -104.81097 -101.70001 3.11096 2.06103 -101.55339 564.08901
5175.0000 -103.93346 -100.26086 3.67261 2.12011 -100.82818 613.50513
5180.0000 -103.65411 -100.15212 3.50198 2.15266 -100.42868 657.73648
5185.0000 -105.24603 -100.91727 4.32876 2.11845 -100.84857 647.21380
5190.0000 -105.20811 -101.15792 4.05019 2.07711 -101.35599 606.46363
5195.0000 -103.14848 -99.21847 3.93001 2.12664 -100.74800 658.81188
5200.0000 -103.59793 -99.75962 3.83831 2.20408 -99.79758 716.40664
5205.0000 -103.49135 -99.72391 3.76744 2.19108 -99.95713 714.69770
5210.0000 -103.96981 -99.59938 4.37043 2.20913 -99.73553 732.91339
5215.0000 -103.68101 -100.14542 3.53559 2.21458 -99.66867 677.68269
5220.0000 -104.08232 -100.77539 3.30693 2.13388 -100.65923 623.91876
5225.0000 -104.04615 -100.84662 3.19952 2.12249 -100.79904 628.91908
5230.0000 -103.90649 -100.76920 3.13730 2.09397 -101.14898 615.40226
5235.0000 -103.82103 -99.96497 3.85606 2.17826 -100.11453 661.61054
5240.0000 -103.22384 -99.64416 3.57968 2.19012 -99.96893 678.03460
5245.0000 -103.48078 -99.88674 3.59404 2.16855 -100.23370 692.98635
5250.0000 -103.79461 -99.82850 3.96611 2.19862 -99.86454 677.83818
FREEZING PROCESS: loop number 22 T-loop= 646.00000000000000
main_MD> interactions number 22 at Temperature= 646.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85813 -1.06430 1.45739
force_rgl> df(natom) 0.03127 2.30123 0.08035
5255.0000 -102.86097 -99.03493 3.82604 2.23258 -99.44779 714.03280
5260.0000 -104.12538 -99.95467 4.17071 2.19896 -99.86045 666.66455
5265.0000 -103.92873 -99.39315 4.53559 2.22251 -99.57130 733.08331
5270.0000 -103.71945 -99.77897 3.94049 2.15353 -100.41797 663.68140
5275.0000 -103.85340 -100.45335 3.40005 2.14991 -100.46243 667.10573
5280.0000 -105.61316 -102.59854 3.01462 2.09650 -101.11795 626.68127
5285.0000 -104.54128 -102.06643 2.47485 2.03329 -101.89385 558.40113
5290.0000 -105.06545 -100.84120 4.22425 2.06141 -101.54865 576.71720
5295.0000 -104.19566 -100.00075 4.19491 2.16053 -100.33204 707.28619
5300.0000 -103.44467 -99.97706 3.46761 2.19386 -99.92295 691.00144
5305.0000 -104.45644 -101.29822 3.15822 2.14340 -100.54230 641.37813
5310.0000 -104.01653 -101.47889 2.53764 2.08083 -101.31030 613.20563
5315.0000 -104.29515 -100.53544 3.75970 2.10623 -100.99853 633.73524
5320.0000 -105.29444 -101.71533 3.57912 2.10623 -100.99854 621.06327
5325.0000 -104.91794 -101.71363 3.20432 2.02352 -102.01373 582.56788
5330.0000 -104.23031 -100.29028 3.94003 2.12788 -100.73283 663.61459
5335.0000 -105.72404 -102.50302 3.22103 2.06996 -101.44373 595.33656
5340.0000 -104.29423 -100.63490 3.65932 2.06896 -101.45603 608.37907
5345.0000 -104.81539 -100.65332 4.16207 2.16497 -100.27762 690.10837
5350.0000 -103.88697 -99.69895 4.18802 2.17036 -100.21148 669.96199
5355.0000 -103.53166 -99.01047 4.52119 2.23932 -99.36503 740.28089
5360.0000 -104.14702 -100.03552 4.11150 2.21596 -99.65181 694.86928
5365.0000 -102.82076 -98.34006 4.48070 2.20742 -99.75662 692.51914
5370.0000 -103.09958 -98.56620 4.53338 2.31313 -98.45906 798.75351
5375.0000 -102.99803 -98.84083 4.15720 2.30582 -98.54881 781.64722
5380.0000 -103.32895 -100.00728 3.32167 2.22196 -99.57816 719.09523
5385.0000 -103.47620 -99.72338 3.75282 2.16948 -100.22222 675.98010
5390.0000 -104.64338 -101.00160 3.64178 2.14047 -100.57828 646.00922
5395.0000 -104.42981 -100.63160 3.79821 2.13937 -100.59179 657.30167
5400.0000 -103.63788 -100.46135 3.17653 2.14192 -100.56049 625.64763
5405.0000 -104.01525 -100.43064 3.58461 2.18883 -99.98472 698.94394
5410.0000 -103.55596 -99.76986 3.78610 2.19306 -99.93288 703.68379
5415.0000 -104.39571 -100.88548 3.51024 2.17904 -100.10495 692.57045
5420.0000 -104.46612 -101.19806 3.26806 2.08353 -101.27718 639.50450
5425.0000 -104.10816 -100.35837 3.74979 2.11740 -100.86151 643.53706
5430.0000 -105.03135 -101.17793 3.85342 2.12478 -100.77092 642.95619
5435.0000 -105.05748 -101.08316 3.97432 2.07914 -101.33111 590.34064
5440.0000 -104.79276 -100.73448 4.05828 2.10806 -100.97604 608.19951
5445.0000 -104.07060 -99.33855 4.73205 2.19752 -99.87810 676.66071
5450.0000 -103.94286 -100.67455 3.26831 2.19337 -99.92903 681.29058
5455.0000 -103.67843 -100.23813 3.44030 2.17147 -100.19787 683.01286
5460.0000 -103.95354 -100.03514 3.91840 2.18911 -99.98136 683.50744
5465.0000 -103.69346 -100.06319 3.63027 2.18429 -100.04049 689.34481
5470.0000 -104.10465 -100.88229 3.22236 2.11918 -100.83967 631.61795
5475.0000 -105.62716 -102.02692 3.60024 2.07408 -101.39316 590.85200
5480.0000 -105.01187 -101.94575 3.06612 2.03177 -101.91246 554.98966
5485.0000 -104.06171 -101.23640 2.82531 2.06067 -101.55775 573.62872
5490.0000 -104.26302 -101.13776 3.12527 2.13701 -100.62075 632.22905
5495.0000 -103.73621 -100.25921 3.47700 2.13954 -100.58972 642.94202
5500.0000 -103.79140 -100.45203 3.33937 2.17986 -100.09481 669.85713
FREEZING PROCESS: loop number 23 T-loop= 621.00000000000000
main_MD> interactions number 23 at Temperature= 621.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89983 -1.97878 0.68387
force_rgl> df(natom) 0.70353 3.43339 -3.38396
5505.0000 -104.04247 -100.79652 3.24595 2.13429 -100.65412 688.75809
5510.0000 -104.32694 -100.68926 3.63768 2.13413 -100.65607 645.52692
5515.0000 -104.55964 -101.21584 3.34379 2.11524 -100.88800 624.48299
5520.0000 -104.14505 -100.85368 3.29137 2.15411 -100.41089 634.54537
5525.0000 -104.03169 -100.06389 3.96780 2.14056 -100.57726 640.21991
5530.0000 -102.98818 -99.77458 3.21360 2.20558 -99.77912 672.20897
5535.0000 -103.55510 -100.43801 3.11708 2.20608 -99.77300 690.13218
5540.0000 -105.01919 -101.70574 3.31345 2.11059 -100.94500 601.13814
5545.0000 -104.98008 -101.22261 3.75747 2.08160 -101.30084 594.44386
5550.0000 -105.12305 -100.60874 4.51430 2.11376 -100.90616 639.49964
5555.0000 -103.59054 -100.08851 3.50203 2.13202 -100.68198 646.10372
5560.0000 -104.08740 -100.52978 3.55762 2.17088 -100.20512 679.88719
5565.0000 -103.95081 -100.53621 3.41460 2.09530 -101.13269 624.71943
5570.0000 -104.23067 -100.33914 3.89154 2.13305 -100.66936 635.76545
5575.0000 -104.22129 -100.42016 3.80114 2.15278 -100.42718 670.20164
5580.0000 -103.92636 -100.32432 3.60204 2.15081 -100.45137 678.40098
5585.0000 -104.97622 -101.52439 3.45183 2.14807 -100.48499 646.51956
5590.0000 -104.63963 -100.78771 3.85192 2.10079 -101.06535 611.98320
5595.0000 -104.63261 -101.01015 3.62246 2.09771 -101.10308 606.09803
5600.0000 -104.92483 -102.09600 2.82883 2.05803 -101.59010 592.35155
5605.0000 -104.92154 -101.59874 3.32281 2.01236 -102.15066 551.20709
5610.0000 -104.94611 -101.75496 3.19116 2.04210 -101.78564 562.41693
5615.0000 -104.59538 -101.11069 3.48469 2.07760 -101.34991 593.25813
5620.0000 -104.30368 -101.12378 3.17990 2.10502 -101.01346 608.60626
5625.0000 -104.73939 -101.79707 2.94232 2.09060 -101.19039 600.00293
5630.0000 -104.78347 -101.37436 3.40911 2.07603 -101.36918 585.04478
5635.0000 -104.89192 -101.74237 3.14955 2.08170 -101.29968 608.94101
5640.0000 -104.26339 -101.17312 3.09028 2.06836 -101.46340 588.11391
5645.0000 -103.51361 -100.72566 2.78795 2.10977 -100.95506 614.99856
5650.0000 -103.63037 -100.16445 3.46593 2.15263 -100.42906 642.95128
5655.0000 -102.97019 -99.29588 3.67431 2.19755 -99.87775 694.40662
5660.0000 -103.98747 -100.39931 3.58816 2.14722 -100.49549 648.67079
5665.0000 -103.74195 -100.37214 3.36981 2.16335 -100.29752 676.88280
5670.0000 -104.46959 -101.47015 2.99944 2.12068 -100.82125 659.47450
5675.0000 -105.30894 -101.84921 3.45973 2.04685 -101.72740 561.30850
5680.0000 -105.08928 -101.97691 3.11236 2.04694 -101.72621 577.39260
5685.0000 -103.52510 -100.10404 3.42107 2.13359 -100.66275 656.06084
5690.0000 -104.25261 -100.21938 4.03323 2.17732 -100.12595 697.85709
5695.0000 -104.43674 -100.96753 3.46920 2.13760 -100.61357 650.33748
5700.0000 -105.08774 -101.40267 3.68507 2.10443 -101.02068 633.28539
5705.0000 -104.50315 -101.54098 2.96217 2.08936 -101.20562 628.04926
5710.0000 -104.59646 -100.77890 3.81756 2.03271 -101.90098 581.33996
5715.0000 -104.26159 -100.76209 3.49949 2.08018 -101.31830 626.47171
5720.0000 -104.92426 -101.39212 3.53214 2.12533 -100.76410 660.08040
5725.0000 -103.43414 -100.07843 3.35571 2.08741 -101.22961 609.04837
5730.0000 -103.64875 -100.12731 3.52144 2.15245 -100.43126 667.94105
5735.0000 -104.58756 -100.88059 3.70697 2.13977 -100.58689 630.92533
5740.0000 -105.24013 -101.86066 3.37947 2.06563 -101.49693 596.12419
5745.0000 -104.99992 -101.65436 3.34556 2.02089 -102.04595 590.15322
5750.0000 -104.16953 -100.79148 3.37805 2.07580 -101.37205 624.90538
FREEZING PROCESS: loop number 24 T-loop= 596.00000000000000
main_MD> interactions number 24 at Temperature= 596.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.91940 1.46694 -4.39911
force_rgl> df(natom) -1.30458 2.15020 1.12652
5755.0000 -104.86204 -101.29041 3.57164 2.13881 -100.59868 663.61754
5760.0000 -104.37522 -100.47883 3.89640 2.11832 -100.85015 650.51305
5765.0000 -103.68867 -99.73027 3.95839 2.15137 -100.44454 655.18601
5770.0000 -104.62534 -101.37235 3.25299 2.17952 -100.09907 643.64386
5775.0000 -104.42582 -101.26490 3.16091 2.07794 -101.34584 578.33274
5780.0000 -104.88366 -101.95683 2.92683 2.03872 -101.82720 559.18454
5785.0000 -105.26846 -101.52250 3.74596 2.06646 -101.48663 592.68313
5790.0000 -104.58620 -100.32426 4.26195 2.10087 -101.06434 627.77938
5795.0000 -104.62131 -101.23120 3.39011 2.11300 -100.91542 609.95501
5800.0000 -103.60478 -100.08850 3.51629 2.14452 -100.52862 658.61323
5805.0000 -104.03273 -100.63635 3.39638 2.16313 -100.30021 681.43300
5810.0000 -104.79875 -101.41378 3.38497 2.07167 -101.42277 593.56978
5815.0000 -104.42798 -100.50595 3.92203 2.11670 -100.87000 623.91736
5820.0000 -104.24809 -99.94593 4.30216 2.12428 -100.77700 651.68996
5825.0000 -103.55715 -99.79528 3.76187 2.20037 -99.84312 715.36130
5830.0000 -104.38455 -101.13330 3.25125 2.14251 -100.55324 645.08648
5835.0000 -104.04347 -99.83367 4.20981 2.16544 -100.27182 675.29727
5840.0000 -104.51008 -100.98407 3.52600 2.16361 -100.29435 612.98463
5845.0000 -104.05575 -100.44165 3.61410 2.11626 -100.87539 614.07630
5850.0000 -104.30856 -101.26166 3.04690 2.13631 -100.62937 633.99416
5855.0000 -104.21542 -101.29568 2.91975 2.09290 -101.16218 601.56264
5860.0000 -104.18237 -100.99366 3.18871 2.08346 -101.27802 592.97827
5865.0000 -104.45369 -100.76502 3.68866 2.10072 -101.06620 622.29877
5870.0000 -105.15303 -102.28816 2.86487 2.05893 -101.57907 607.17159
5875.0000 -104.40593 -101.35623 3.04970 2.04733 -101.72149 561.53088
5880.0000 -105.10639 -102.01467 3.09172 2.03447 -101.87936 539.56699
5885.0000 -104.51986 -101.22320 3.29665 2.05236 -101.65970 572.92388
5890.0000 -104.56788 -101.79515 2.77272 2.06053 -101.55948 586.90541
5895.0000 -104.35934 -100.72112 3.63823 2.11283 -100.91750 617.97581
5900.0000 -105.04634 -101.91185 3.13449 2.09499 -101.13650 633.79843
5905.0000 -105.64456 -102.52869 3.11587 2.00957 -102.18492 545.34044
5910.0000 -105.22773 -102.46823 2.75950 1.96203 -102.76847 498.54811
5915.0000 -104.94346 -102.02687 2.91660 1.99440 -102.37112 521.18070
5920.0000 -104.86831 -102.31830 2.55001 2.02250 -102.02621 526.31823
5925.0000 -104.47332 -101.54816 2.92516 2.06239 -101.53666 557.01170
5930.0000 -105.04523 -101.78777 3.25746 2.05853 -101.58407 593.57819
5935.0000 -104.70658 -101.28859 3.41799 2.05440 -101.63472 551.27459
5940.0000 -105.09895 -100.88897 4.20998 2.11833 -100.85002 649.95994
5945.0000 -104.31911 -100.33392 3.98519 2.09085 -101.18733 645.36934
5950.0000 -103.54599 -100.84856 2.69743 2.11993 -100.83044 607.22791
5955.0000 -104.66360 -100.57008 4.09352 2.13323 -100.66721 638.49036
5960.0000 -105.31017 -101.62559 3.68458 2.07198 -101.41896 612.06851
5965.0000 -105.40326 -102.23861 3.16465 2.03218 -101.90748 599.65063
5970.0000 -105.32764 -102.12432 3.20332 2.03567 -101.86456 597.18553
5975.0000 -105.25646 -101.52655 3.72991 2.06080 -101.55617 621.19291
5980.0000 -105.02322 -102.25597 2.76725 2.03402 -101.88479 576.63388
5985.0000 -105.69165 -102.74513 2.94652 1.97544 -102.60389 518.04789
5990.0000 -104.94690 -101.68635 3.26055 2.03193 -101.91054 577.88977
5995.0000 -104.69230 -101.59089 3.10141 2.06364 -101.52129 596.02419
6000.0000 -104.86415 -101.99045 2.87370 2.03806 -101.83524 565.29552
FREEZING PROCESS: loop number 25 T-loop= 571.00000000000000
main_MD> interactions number 25 at Temperature= 571.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37573 4.36572 3.24266
force_rgl> df(natom) -1.85777 2.43814 0.41492
6005.0000 -105.65555 -102.01365 3.64190 2.01431 -102.12672 569.00081
6010.0000 -105.24784 -102.54533 2.70251 2.00595 -102.22937 554.89748
6015.0000 -105.39841 -102.26339 3.13502 1.99863 -102.31924 520.49639
6020.0000 -104.94761 -101.78815 3.15946 1.98364 -102.50320 500.17381
6025.0000 -104.76821 -101.30761 3.46060 2.06390 -101.51810 597.65207
6030.0000 -105.18724 -101.65333 3.53391 2.04919 -101.69862 591.39943
6035.0000 -104.51085 -101.72480 2.78605 2.03478 -101.87555 547.02049
6040.0000 -104.57142 -101.82907 2.74235 2.05196 -101.66471 551.66171
6045.0000 -104.07898 -101.20096 2.87802 2.06044 -101.56063 573.40735
6050.0000 -104.93089 -101.77015 3.16074 2.07827 -101.34172 582.36907
6055.0000 -105.50166 -102.47592 3.02574 2.00365 -102.25764 546.60953
6060.0000 -104.83578 -101.45488 3.38089 1.98742 -102.45677 546.53855
6065.0000 -105.08567 -101.77206 3.31361 2.03311 -101.89598 574.06887
6070.0000 -104.76428 -101.62344 3.14084 2.05556 -101.62047 591.63549
6075.0000 -104.16354 -101.28384 2.87970 2.07864 -101.33720 596.38142
6080.0000 -104.77085 -101.63091 3.13994 2.12659 -100.74864 639.73391
6085.0000 -104.64392 -101.73439 2.90953 2.05589 -101.61642 564.65247
6090.0000 -104.87264 -101.25449 3.61816 2.08942 -101.20493 599.48428
6095.0000 -105.30218 -101.54786 3.75432 2.07716 -101.35533 596.39074
6100.0000 -104.80429 -102.17958 2.62471 2.03984 -101.81340 552.19279
6105.0000 -105.19652 -102.73959 2.45693 2.03786 -101.83775 570.45020
6110.0000 -105.56554 -102.79990 2.76565 1.97074 -102.66148 522.14219
6115.0000 -105.13197 -102.41319 2.71878 1.94660 -102.95778 500.24026
6120.0000 -105.50173 -102.39683 3.10490 2.01524 -102.11536 580.52462
6125.0000 -104.54790 -101.09654 3.45136 2.01778 -102.08414 564.07172
6130.0000 -103.89697 -101.24479 2.65218 2.09414 -101.14694 610.79279
6135.0000 -105.88217 -102.05075 3.83142 2.07406 -101.39338 585.59385
6140.0000 -105.06096 -102.22606 2.83490 2.01206 -102.15441 536.21089
6145.0000 -105.01217 -102.12502 2.88715 2.03700 -101.84833 574.52738
6150.0000 -105.88439 -102.99155 2.89284 1.94734 -102.94880 501.81543
6155.0000 -105.39348 -102.70604 2.68744 1.96641 -102.71467 513.94620
6160.0000 -105.14205 -102.77127 2.37078 1.98949 -102.43141 512.22466
6165.0000 -105.02745 -101.21267 3.81477 2.02527 -101.99227 557.44341
6170.0000 -104.14940 -101.01940 3.13000 2.09320 -101.15848 612.67476
6175.0000 -105.27220 -101.54597 3.72623 2.10078 -101.06550 618.45065
6180.0000 -105.53896 -101.47751 4.06145 2.07564 -101.37398 620.88060
6185.0000 -105.68303 -103.13198 2.55105 2.00021 -102.29983 578.20498
6190.0000 -104.37468 -101.50389 2.87079 2.01137 -102.16283 592.38403
6195.0000 -104.60169 -101.82122 2.78047 2.03211 -101.90828 553.72720
6200.0000 -104.48145 -101.07760 3.40385 2.06630 -101.48867 578.32882
6205.0000 -105.61275 -102.05795 3.55480 2.02482 -101.99779 570.35556
6210.0000 -104.64958 -101.25466 3.39492 2.03910 -101.82252 579.46762
6215.0000 -104.25132 -100.98397 3.26735 2.09578 -101.12687 609.35297
6220.0000 -104.83078 -101.94234 2.88844 2.09028 -101.19434 604.44774
6225.0000 -104.85464 -102.01297 2.84167 1.97606 -102.59621 525.26518
6230.0000 -105.42823 -101.95033 3.47789 2.02243 -102.02705 571.29752
6235.0000 -104.06072 -100.97906 3.08166 2.06912 -101.45399 578.51658
6240.0000 -104.48305 -100.70126 3.78179 2.13429 -100.65418 674.33605
6245.0000 -104.22576 -101.23299 2.99278 2.07348 -101.40052 588.85733
6250.0000 -104.94379 -101.85950 3.08429 2.05744 -101.59734 586.65826
FREEZING PROCESS: loop number 26 T-loop= 546.00000000000000
main_MD> interactions number 26 at Temperature= 546.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05549 1.06651 2.64404
force_rgl> df(natom) -0.55650 1.94320 -1.71242
6255.0000 -105.44571 -102.38304 3.06267 2.01270 -102.14654 526.70946
6260.0000 -105.07260 -102.01714 3.05545 2.01732 -102.08988 544.40876
6265.0000 -106.05084 -103.20934 2.84151 1.97423 -102.61874 496.82451
6270.0000 -105.17007 -102.31677 2.85330 1.99626 -102.34836 539.14024
6275.0000 -105.78478 -103.05067 2.73411 1.99997 -102.30278 536.64973
6280.0000 -105.06410 -101.82306 3.24103 1.96251 -102.76260 526.34535
6285.0000 -104.83613 -101.62854 3.20759 2.05835 -101.58627 586.89526
6290.0000 -105.49774 -102.26577 3.23197 2.01539 -102.11353 525.96651
6295.0000 -104.77000 -101.00652 3.76348 2.04728 -101.72215 571.99707
6300.0000 -105.37446 -101.64687 3.72758 2.07431 -101.39035 565.81403
6305.0000 -105.83074 -102.96362 2.86712 1.99902 -102.31448 538.89287
6310.0000 -105.37883 -101.98475 3.39408 1.96648 -102.71384 499.98470
6315.0000 -105.12923 -101.79848 3.33074 2.01892 -102.07024 541.77706
6320.0000 -105.18484 -102.49818 2.68666 1.99553 -102.35730 543.13335
6325.0000 -105.47441 -102.52507 2.94934 1.98987 -102.42674 531.31496
6330.0000 -105.34590 -101.91836 3.42754 1.99253 -102.39413 519.59089
6335.0000 -105.78574 -102.54372 3.24203 2.00147 -102.28435 584.36701
6340.0000 -104.67588 -101.80595 2.86993 2.01427 -102.12728 574.07120
6345.0000 -104.92126 -101.79835 3.12291 2.02434 -102.00369 568.95110
6350.0000 -104.21123 -101.11487 3.09636 2.07839 -101.34032 593.81936
6355.0000 -105.33292 -102.19107 3.14185 2.05632 -101.61115 591.33117
6360.0000 -104.91391 -101.60339 3.31052 2.02609 -101.98220 565.95230
6365.0000 -105.52782 -102.25455 3.27327 2.04283 -101.77676 575.96140
6370.0000 -104.58984 -101.49891 3.09094 2.03614 -101.85885 568.33169
6375.0000 -104.23316 -100.87507 3.35810 2.08529 -101.25552 610.86635
6380.0000 -104.32299 -101.81662 2.50637 2.04113 -101.79757 563.74744
6385.0000 -105.73062 -103.21092 2.51970 1.99170 -102.40428 520.72237
6390.0000 -105.03731 -102.10576 2.93155 1.98244 -102.51795 531.39953
6395.0000 -105.99415 -102.58589 3.40827 1.99873 -102.31797 548.61587
6400.0000 -105.36576 -102.25755 3.10822 1.96050 -102.78717 515.87733
6405.0000 -105.61311 -102.39194 3.22117 2.00266 -102.26973 562.68248
6410.0000 -105.86653 -103.29617 2.57036 1.92594 -103.21140 488.31860
6415.0000 -106.02290 -102.98564 3.03726 1.90821 -103.42896 469.68255
6420.0000 -105.28155 -102.86798 2.41358 1.96588 -102.72117 505.23768
6425.0000 -105.44821 -102.30286 3.14534 1.98323 -102.50829 505.07692
6430.0000 -105.20584 -101.99622 3.20962 1.99359 -102.38110 493.88069
6435.0000 -105.04603 -101.87920 3.16683 2.01536 -102.11385 559.70199
6440.0000 -105.41555 -101.88352 3.53203 2.02244 -102.02703 547.03941
6445.0000 -104.89711 -101.57027 3.32684 2.06357 -101.52212 583.26686
6450.0000 -105.05792 -102.29017 2.76775 2.06423 -101.51405 581.25556
6455.0000 -105.59868 -101.84253 3.75615 2.02990 -101.93545 529.14216
6460.0000 -104.79135 -101.53275 3.25860 2.03202 -101.90934 577.85325
6465.0000 -105.41675 -102.15977 3.25698 2.05306 -101.65118 588.51743
6470.0000 -105.04499 -102.16286 2.88213 2.01749 -102.08771 545.21022
6475.0000 -105.79806 -103.41274 2.38533 1.96129 -102.77754 512.37530
6480.0000 -105.10827 -102.25998 2.84829 1.96875 -102.68597 512.20305
6485.0000 -105.75096 -102.37130 3.37967 1.96385 -102.74614 517.99445
6490.0000 -105.43387 -102.48265 2.95122 1.98050 -102.54175 546.16014
6495.0000 -105.70310 -102.90691 2.79619 1.97285 -102.63568 545.12910
6500.0000 -105.14495 -102.08254 3.06241 1.95303 -102.87895 509.53921
FREEZING PROCESS: loop number 27 T-loop= 521.00000000000000
main_MD> interactions number 27 at Temperature= 521.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70789 0.52560 4.73804
force_rgl> df(natom) -1.70098 0.45750 1.86038
6505.0000 -105.58220 -102.71578 2.86642 1.98115 -102.53373 499.20561
6510.0000 -105.17250 -101.77866 3.39384 2.00511 -102.23968 532.73011
6515.0000 -105.26298 -102.32809 2.93488 1.99164 -102.40501 556.62505
6520.0000 -105.40485 -102.78263 2.62222 1.96147 -102.77535 517.16556
6525.0000 -104.99548 -102.46025 2.53523 1.95575 -102.84553 500.08034
6530.0000 -105.24700 -102.83610 2.41090 1.97246 -102.64045 517.32044
6535.0000 -105.44115 -102.42488 3.01627 1.96129 -102.77748 506.46081
6540.0000 -106.30034 -103.21410 3.08624 1.95038 -102.91144 484.83615
6545.0000 -105.59024 -102.89972 2.69052 1.92391 -103.23638 480.51613
6550.0000 -106.63706 -103.94554 2.69152 1.93059 -103.15432 487.10583
6555.0000 -105.99611 -102.85850 3.13761 1.88613 -103.70008 452.22098
6560.0000 -105.34221 -102.47712 2.86508 2.00129 -102.28662 542.73281
6565.0000 -105.28165 -102.29900 2.98265 1.98872 -102.44086 531.22825
6570.0000 -105.46862 -103.33088 2.13774 1.97636 -102.59253 518.63751
6575.0000 -105.28602 -102.34824 2.93778 1.93898 -103.05139 491.76756
6580.0000 -105.42721 -103.04824 2.37896 1.97158 -102.65124 516.88601
6585.0000 -105.45559 -102.56622 2.88937 1.96122 -102.77840 511.14435
6590.0000 -105.75560 -102.79422 2.96138 1.95128 -102.90040 516.56622
6595.0000 -105.04583 -102.52885 2.51698 1.94387 -102.99132 489.78124
6600.0000 -105.86741 -103.43557 2.43183 1.97542 -102.60404 518.63346
6605.0000 -106.36289 -104.02897 2.33391 1.90008 -103.52882 436.64266
6610.0000 -106.01355 -103.49675 2.51679 1.90209 -103.50415 457.65477
6615.0000 -105.57503 -102.81184 2.76319 1.93004 -103.16103 485.34223
6620.0000 -105.50267 -102.40196 3.10071 1.94504 -102.97699 485.67440
6625.0000 -105.71029 -102.34230 3.36799 2.00921 -102.18938 557.79696
6630.0000 -105.41631 -102.78844 2.62788 1.97195 -102.64672 510.00174
6635.0000 -105.32667 -102.62345 2.70323 1.95402 -102.86679 499.39341
6640.0000 -104.39101 -101.22491 3.16610 2.03074 -101.92513 552.58366
6645.0000 -105.42561 -102.01576 3.40985 2.05784 -101.59250 574.56804
6650.0000 -105.88884 -102.93876 2.95008 1.97928 -102.55671 516.70150
6655.0000 -105.75289 -102.88600 2.86689 1.97064 -102.66278 517.95375
6660.0000 -105.02442 -102.42714 2.59728 1.98997 -102.42546 555.20321
6665.0000 -105.67551 -103.20201 2.47350 1.96277 -102.75938 509.95864
6670.0000 -105.76589 -103.13410 2.63178 1.93591 -103.08899 468.18220
6675.0000 -105.73789 -102.52773 3.21016 1.94879 -102.93093 496.42002
6680.0000 -105.64330 -103.20256 2.44075 1.94043 -103.03353 510.81093
6685.0000 -105.64070 -102.84159 2.79910 1.92693 -103.19919 486.41061
6690.0000 -105.12488 -102.51035 2.61453 1.95867 -102.80966 497.37455
6695.0000 -105.20099 -102.30974 2.89125 2.00121 -102.28759 535.20628
6700.0000 -105.85746 -102.67809 3.17937 1.97613 -102.59543 516.02890
6705.0000 -105.82876 -102.93605 2.89271 1.94320 -102.99953 500.26797
6710.0000 -105.54841 -102.73700 2.81141 1.92810 -103.18483 469.17120
6715.0000 -105.15032 -102.26961 2.88071 1.98757 -102.45499 509.21212
6720.0000 -105.37768 -102.91091 2.46676 2.00117 -102.28799 543.71852
6725.0000 -105.88085 -102.96706 2.91378 1.93161 -103.14180 480.17595
6730.0000 -105.36847 -102.76490 2.60357 1.95379 -102.86963 494.89088
6735.0000 -105.68225 -102.14605 3.53619 1.95552 -102.84839 495.85090
6740.0000 -105.38982 -102.30085 3.08897 2.02694 -101.97172 591.62754
6745.0000 -105.36472 -102.01715 3.34757 2.00455 -102.24654 554.81375
6750.0000 -104.86313 -102.17660 2.68653 2.02963 -101.93874 570.36199
FREEZING PROCESS: loop number 28 T-loop= 496.00000000000000
main_MD> interactions number 28 at Temperature= 496.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63715 2.03417 3.54829
force_rgl> df(natom) 2.20805 -0.49799 -1.84873
6755.0000 -105.05257 -102.06341 2.98915 2.02445 -102.00236 531.02668
6760.0000 -105.53170 -102.65718 2.87452 2.03134 -101.91776 545.78695
6765.0000 -106.31413 -103.31459 2.99954 1.92517 -103.22082 462.00151
6770.0000 -104.61715 -101.87659 2.74056 1.95385 -102.86887 485.90967
6775.0000 -105.45269 -102.75123 2.70146 1.97278 -102.63648 505.34458
6780.0000 -105.47542 -102.35430 3.12112 1.95193 -102.89244 498.09744
6785.0000 -106.10587 -103.11921 2.98666 1.95797 -102.81823 520.53162
6790.0000 -105.39879 -102.85025 2.54854 1.96855 -102.68845 504.13372
6795.0000 -105.40351 -102.86687 2.53665 1.93803 -103.06307 478.12840
6800.0000 -105.64090 -103.16194 2.47896 1.93635 -103.08365 486.90671
6805.0000 -104.98342 -102.55342 2.43000 1.96199 -102.76897 522.68205
6810.0000 -106.24679 -103.63260 2.61419 1.91774 -103.31199 472.58745
6815.0000 -106.10110 -103.34018 2.76092 1.89157 -103.63322 452.24534
6820.0000 -105.73567 -102.99569 2.73998 1.94198 -103.01451 515.17131
6825.0000 -106.07014 -103.16516 2.90498 1.94781 -102.94302 505.18857
6830.0000 -106.67732 -103.34369 3.33363 1.92117 -103.27001 483.16577
6835.0000 -106.20046 -103.29317 2.90729 1.92263 -103.25200 497.46793
6840.0000 -105.74665 -102.60939 3.13726 1.92788 -103.18757 489.75286
6845.0000 -105.34836 -102.62043 2.72793 1.96685 -102.70933 512.25792
6850.0000 -104.82771 -102.04747 2.78024 1.97626 -102.59376 503.74133
6855.0000 -105.06667 -102.37390 2.69278 1.99904 -102.31416 531.52495
6860.0000 -105.16344 -102.61936 2.54408 1.99870 -102.31831 539.29336
6865.0000 -104.92823 -102.48452 2.44371 1.98607 -102.47338 506.51628
6870.0000 -105.26595 -102.59184 2.67410 1.99641 -102.34652 532.98364
6875.0000 -105.35236 -102.50268 2.84968 1.95438 -102.86228 500.39548
6880.0000 -105.50695 -102.39631 3.11064 1.95319 -102.87692 505.77892
6885.0000 -105.78313 -102.63360 3.14953 1.94961 -102.92094 485.10257
6890.0000 -105.26780 -102.78243 2.48537 1.95372 -102.87046 528.47492
6895.0000 -105.82261 -102.74909 3.07352 1.94967 -102.92014 508.68061
6900.0000 -105.62971 -102.97800 2.65171 1.93685 -103.07743 502.62493
6905.0000 -106.16740 -103.70642 2.46099 1.91047 -103.40123 460.34971
6910.0000 -106.58567 -104.21834 2.36734 1.86787 -103.92411 441.03985
6915.0000 -105.86389 -103.47502 2.38887 1.85455 -104.08765 440.51149
6920.0000 -106.49541 -103.75058 2.74483 1.90199 -103.50538 488.75701
6925.0000 -106.40218 -103.55478 2.84740 1.87907 -103.78665 466.32839
6930.0000 -106.39532 -103.76021 2.63511 1.89359 -103.60848 476.12769
6935.0000 -106.64414 -104.15310 2.49104 1.86150 -104.00227 443.10331
6940.0000 -105.70653 -103.44233 2.26420 1.89333 -103.61165 474.95414
6945.0000 -105.90541 -103.28193 2.62347 1.93270 -103.12848 511.05439
6950.0000 -106.02159 -103.01469 3.00690 1.93270 -103.12839 507.90689
6955.0000 -105.82264 -103.00994 2.81269 1.95067 -102.90786 538.46618
6960.0000 -106.25745 -103.74616 2.51129 1.89831 -103.55058 455.72866
6965.0000 -104.91544 -102.07273 2.84271 1.96790 -102.69638 502.77118
6970.0000 -104.61993 -101.95915 2.66078 2.00257 -102.27087 529.49782
6975.0000 -105.64080 -102.85615 2.78465 2.01105 -102.16675 530.12826
6980.0000 -105.42441 -102.60461 2.81979 1.95417 -102.86493 465.68182
6985.0000 -105.56285 -102.42995 3.13290 1.99351 -102.38212 509.57569
6990.0000 -105.67471 -102.42845 3.24626 1.96611 -102.71839 464.10375
6995.0000 -105.61639 -103.19736 2.41903 1.97399 -102.62170 504.40942
7000.0000 -105.59370 -102.55602 3.03767 1.95095 -102.90438 497.48359
FREEZING PROCESS: loop number 29 T-loop= 471.00000000000000
main_MD> interactions number 29 at Temperature= 471.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.61020 -1.38316 -0.86398
force_rgl> df(natom) 3.13131 1.25913 3.88268
7005.0000 -106.24777 -104.05249 2.19528 1.92198 -103.26003 484.30459
7010.0000 -106.45790 -104.43237 2.02553 1.85979 -104.02325 428.09549
7015.0000 -106.69873 -103.81888 2.87985 1.86357 -103.97698 437.57317
7020.0000 -106.34058 -103.73458 2.60600 1.87677 -103.81495 454.54704
7025.0000 -106.30059 -103.71814 2.58245 1.89491 -103.59220 465.15956
7030.0000 -106.78959 -104.27410 2.51550 1.88893 -103.66571 462.07786
7035.0000 -106.33479 -103.96830 2.36649 1.84915 -104.15393 421.97871
7040.0000 -105.87407 -103.48095 2.39312 1.86307 -103.98306 424.92157
7045.0000 -105.34696 -102.89571 2.45125 1.90800 -103.43164 444.02915
7050.0000 -105.73305 -102.89324 2.83981 1.94416 -102.98783 491.96133
7055.0000 -105.76603 -102.63816 3.12787 1.93782 -103.06562 510.55850
7060.0000 -105.56069 -102.84973 2.71095 1.98106 -102.53483 534.23770
7065.0000 -105.92690 -103.31132 2.61558 1.96575 -102.72280 523.31482
7070.0000 -105.42385 -102.96931 2.45455 1.93925 -103.04809 476.38969
7075.0000 -105.38074 -102.59517 2.78556 2.00347 -102.25987 564.01205
7080.0000 -106.30123 -103.39454 2.90669 1.93469 -103.10396 517.72105
7085.0000 -105.66902 -103.41240 2.25662 1.90690 -103.44504 486.61570
7090.0000 -105.96276 -103.00665 2.95611 1.88523 -103.71112 442.37071
7095.0000 -105.82524 -103.17986 2.64538 1.93058 -103.15447 479.90948
7100.0000 -105.29311 -102.57178 2.72133 1.95275 -102.88232 480.40871
7105.0000 -105.72432 -103.26717 2.45715 1.95860 -102.81059 502.02522
7110.0000 -105.33334 -102.38298 2.95036 1.95649 -102.83642 495.92729
7115.0000 -105.48477 -102.77508 2.70970 1.97469 -102.61310 527.74330
7120.0000 -105.43184 -102.85452 2.57732 1.94850 -102.93455 500.60791
7125.0000 -105.74571 -103.24032 2.50539 1.95361 -102.87173 509.32646
7130.0000 -106.04074 -103.57858 2.46217 1.90753 -103.43731 467.96186
7135.0000 -105.89682 -102.64492 3.25190 1.91033 -103.40300 480.95349
7140.0000 -106.19785 -104.07984 2.11802 1.93440 -103.10756 523.44514
7145.0000 -106.98205 -104.10150 2.88056 1.86607 -103.94618 460.10931
7150.0000 -107.14992 -104.07803 3.07190 1.86548 -103.95342 459.59730
7155.0000 -106.83370 -104.41557 2.41813 1.83235 -104.36017 431.85660
7160.0000 -106.08534 -103.72150 2.36385 1.84921 -104.15317 438.70300
7165.0000 -106.86371 -104.88027 1.98344 1.81521 -104.57053 407.03270
7170.0000 -106.68838 -104.00353 2.68485 1.83105 -104.37602 426.94047
7175.0000 -106.29307 -103.70963 2.58344 1.86600 -103.94705 461.74379
7180.0000 -106.58154 -104.50414 2.07740 1.84198 -104.24187 430.43716
7185.0000 -106.46207 -103.94193 2.52015 1.83922 -104.27581 437.02079
7190.0000 -105.80887 -103.16328 2.64559 1.91507 -103.34476 489.62141
7195.0000 -106.67775 -103.98155 2.69620 1.87668 -103.81606 452.43966
7200.0000 -106.37769 -103.62109 2.75660 1.83455 -104.33316 429.41803
7205.0000 -105.82626 -103.61228 2.21398 1.88788 -103.67850 467.59824
7210.0000 -105.47476 -102.92687 2.54789 1.95778 -102.82063 534.68422
7215.0000 -106.07471 -103.76139 2.31332 1.89904 -103.54155 466.77234
7220.0000 -106.10314 -103.53042 2.57272 1.89446 -103.59779 468.30065
7225.0000 -106.41589 -103.56463 2.85125 1.89309 -103.61454 459.69978
7230.0000 -105.80977 -102.92600 2.88378 1.89976 -103.53269 480.27708
7235.0000 -106.38417 -103.46107 2.92310 1.93937 -103.04653 509.81817
7240.0000 -106.38694 -103.10821 3.27873 1.90015 -103.52796 472.01696
7245.0000 -106.26717 -103.58141 2.68576 1.90231 -103.50146 470.55310
7250.0000 -105.97886 -103.86972 2.10914 1.86564 -103.95154 447.61028
FREEZING PROCESS: loop number 30 T-loop= 446.00000000000000
main_MD> interactions number 30 at Temperature= 446.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.75068 -0.86788 0.44394
force_rgl> df(natom) -0.11970 1.99669 3.18843
7255.0000 -106.14889 -104.03440 2.11449 1.86759 -103.92759 444.11252
7260.0000 -106.62421 -104.11005 2.51416 1.87861 -103.79226 444.71697
7265.0000 -106.51000 -104.28586 2.22414 1.84869 -104.15951 421.93850
7270.0000 -106.79367 -104.45958 2.33409 1.84497 -104.20524 397.19479
7275.0000 -105.83593 -103.45007 2.38586 1.84817 -104.16599 389.68518
7280.0000 -106.11122 -103.52777 2.58345 1.89731 -103.56278 441.84220
7285.0000 -105.99535 -103.86880 2.12655 1.91405 -103.35731 434.22199
7290.0000 -105.68215 -103.34311 2.33904 1.92679 -103.20095 438.52505
7295.0000 -106.23482 -103.59970 2.63512 1.88889 -103.66609 413.28523
7300.0000 -106.31145 -104.28754 2.02391 1.86476 -103.96227 389.75813
7305.0000 -106.01808 -103.84460 2.17348 1.88169 -103.75450 426.83313
7310.0000 -106.58073 -103.37775 3.20298 1.89451 -103.59714 465.35538
7315.0000 -105.47434 -103.01293 2.46141 1.93614 -103.08622 499.23824
7320.0000 -106.60405 -104.19122 2.41283 1.89842 -103.54915 435.60910
7325.0000 -106.33356 -103.99328 2.34028 1.84843 -104.16273 397.65218
7330.0000 -106.59677 -103.97512 2.62165 1.86187 -103.99773 426.62679
7335.0000 -106.12088 -103.88404 2.23685 1.87674 -103.81528 461.91125
7340.0000 -106.69843 -103.80388 2.89454 1.89366 -103.60765 462.00081
7345.0000 -105.98712 -103.60008 2.38704 1.89575 -103.58200 461.58373
7350.0000 -106.45103 -103.89787 2.55316 1.86905 -103.90970 429.54191
7355.0000 -106.27484 -103.93427 2.34056 1.86702 -103.93452 452.93580
7360.0000 -106.41005 -104.28261 2.12743 1.86445 -103.96607 452.44174
7365.0000 -106.30119 -103.88251 2.41869 1.84783 -104.17008 399.18438
7370.0000 -105.95841 -103.60101 2.35740 1.90676 -103.44684 456.11546
7375.0000 -106.26324 -104.01739 2.24585 1.86463 -103.96391 416.53096
7380.0000 -106.11836 -103.72460 2.39376 1.88281 -103.74082 444.54669
7385.0000 -106.26781 -104.09617 2.17164 1.86691 -103.93597 428.41911
7390.0000 -105.64736 -103.05866 2.58870 1.89661 -103.57136 452.93222
7395.0000 -105.93595 -103.64856 2.28739 1.90120 -103.51500 447.44665
7400.0000 -105.86189 -103.57948 2.28241 1.91768 -103.31274 477.99022
7405.0000 -106.18372 -103.60947 2.57424 1.91810 -103.30765 477.24795
7410.0000 -106.48068 -103.57181 2.90888 1.89859 -103.54706 467.16392
7415.0000 -106.74925 -104.28072 2.46853 1.87440 -103.84403 435.01617
7420.0000 -106.51218 -104.24391 2.26827 1.85909 -104.03192 423.68140
7425.0000 -106.11898 -103.53356 2.58542 1.89362 -103.60813 440.45783
7430.0000 -105.99482 -102.26056 3.73426 1.94513 -102.97592 494.21043
7435.0000 -105.37100 -102.97447 2.39652 1.98827 -102.44643 527.09066
7440.0000 -106.16755 -103.97683 2.19073 1.89426 -103.60029 442.26090
7445.0000 -106.13367 -103.36573 2.76794 1.88134 -103.75881 433.06002
7450.0000 -106.48324 -104.05806 2.42518 1.90094 -103.51827 457.99489
7455.0000 -106.19653 -103.83923 2.35730 1.85046 -104.13782 407.26618
7460.0000 -106.21677 -103.86238 2.35439 1.88477 -103.71668 453.24611
7465.0000 -106.29384 -103.97293 2.32091 1.86778 -103.92523 414.61896
7470.0000 -105.68781 -103.69184 1.99597 1.87720 -103.80967 404.90686
7475.0000 -106.22411 -103.58581 2.63830 1.88568 -103.70550 411.07772
7480.0000 -105.55091 -102.76869 2.78222 1.92509 -103.22178 466.89082
7485.0000 -105.95494 -103.47780 2.47714 1.93882 -103.05335 479.33777
7490.0000 -106.26904 -103.58340 2.68563 1.88406 -103.72540 443.60189
7495.0000 -106.41487 -104.23039 2.18447 1.87503 -103.83628 422.93644
7500.0000 -106.68050 -103.95237 2.72814 1.86221 -103.99365 417.23795
FREEZING PROCESS: loop number 31 T-loop= 421.00000000000000
main_MD> interactions number 31 at Temperature= 421.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88551 3.02275 -0.60791
force_rgl> df(natom) -0.96421 -0.76241 -0.43729
7505.0000 -106.66475 -104.76815 1.89661 1.84505 -104.20424 400.91695
7510.0000 -106.31724 -104.01061 2.30663 1.85070 -104.13486 405.11061
7515.0000 -105.77466 -103.35618 2.41848 1.86102 -104.00818 432.32613
7520.0000 -105.94259 -103.89988 2.04271 1.89493 -103.59206 450.59762
7525.0000 -106.83049 -104.15696 2.67353 1.86802 -103.92234 448.68208
7530.0000 -106.99096 -104.58455 2.40641 1.82600 -104.43803 415.29482
7535.0000 -106.41852 -104.82246 1.59605 1.80468 -104.69977 391.98435
7540.0000 -106.03423 -104.19091 1.84332 1.81636 -104.55634 402.76562
7545.0000 -106.20408 -103.98903 2.21505 1.85983 -104.02277 446.97512
7550.0000 -106.71182 -104.72577 1.98605 1.82453 -104.45608 393.20235
7555.0000 -106.73154 -105.03011 1.70143 1.80456 -104.70117 383.53475
7560.0000 -106.74877 -104.79025 1.95853 1.78918 -104.89000 357.48559
7565.0000 -106.72950 -104.64608 2.08342 1.81721 -104.54593 375.98751
7570.0000 -106.64593 -104.13509 2.51084 1.81526 -104.56989 377.38106
7575.0000 -106.55223 -104.44240 2.10983 1.85536 -104.07771 406.70143
7580.0000 -106.44081 -103.70879 2.73202 1.84373 -104.22046 413.20785
7585.0000 -106.30695 -104.23766 2.06929 1.84752 -104.17387 414.08846
7590.0000 -105.91767 -104.11783 1.79983 1.84994 -104.14425 405.71309
7595.0000 -106.63994 -104.78882 1.85112 1.82298 -104.47513 385.18528
7600.0000 -106.58135 -104.06734 2.51401 1.81671 -104.55207 386.32910
7605.0000 -106.51291 -104.30115 2.21176 1.86108 -104.00749 435.08978
7610.0000 -106.70128 -104.41345 2.28783 1.81758 -104.54143 391.38815
7615.0000 -106.36119 -103.88146 2.47973 1.88285 -103.74026 461.39809
7620.0000 -106.15089 -103.44284 2.70805 1.86645 -103.94155 431.59017
7625.0000 -106.46071 -103.90988 2.55083 1.89691 -103.56775 461.10254
7630.0000 -105.69816 -103.64877 2.04940 1.89587 -103.58043 449.34151
7635.0000 -106.80825 -104.06277 2.74548 1.85687 -104.05910 402.68161
7640.0000 -106.59816 -103.85962 2.73854 1.86724 -103.93186 438.29690
7645.0000 -106.00829 -103.41873 2.58957 1.89618 -103.57671 454.72168
7650.0000 -106.27022 -104.13625 2.13397 1.87751 -103.80577 437.01700
7655.0000 -106.76757 -104.38558 2.38199 1.83885 -104.28032 397.63295
7660.0000 -106.11310 -103.94698 2.16612 1.85584 -104.07178 423.35521
7665.0000 -107.03197 -104.79323 2.23874 1.83607 -104.31443 426.24006
7670.0000 -106.90652 -104.66941 2.23710 1.78156 -104.98349 344.44212
7675.0000 -106.32094 -104.51191 1.80904 1.81488 -104.57447 388.64374
7680.0000 -106.36171 -103.55786 2.80385 1.83294 -104.35283 404.27137
7685.0000 -106.70515 -103.93796 2.76718 1.88514 -103.71217 457.20794
7690.0000 -106.58227 -104.60372 1.97855 1.85145 -104.12562 410.00183
7695.0000 -106.83475 -104.03238 2.80237 1.83742 -104.29790 407.86380
7700.0000 -106.38987 -104.72643 1.66344 1.82909 -104.40016 397.52417
7705.0000 -107.00178 -104.99669 2.00508 1.80108 -104.74397 371.11802
7710.0000 -106.29766 -104.26692 2.03074 1.80073 -104.74821 361.83238
7715.0000 -106.24826 -104.06947 2.17878 1.87026 -103.89483 429.29874
7720.0000 -106.94750 -105.28407 1.66343 1.80831 -104.65513 394.88732
7725.0000 -106.84571 -104.55539 2.29032 1.78416 -104.95161 367.13310
7730.0000 -106.79039 -104.80286 1.98753 1.82133 -104.49533 407.19008
7735.0000 -107.11210 -104.80405 2.30805 1.83222 -104.36166 425.31948
7740.0000 -106.93796 -104.96885 1.96911 1.80358 -104.71326 392.63290
7745.0000 -106.78680 -104.51591 2.27089 1.81068 -104.62610 400.54901
7750.0000 -106.75594 -104.79868 1.95727 1.82377 -104.46543 408.89995
FREEZING PROCESS: loop number 32 T-loop= 396.00000000000000
main_MD> interactions number 32 at Temperature= 396.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19874 0.93062 -1.97052
force_rgl> df(natom) -0.09089 -1.25978 0.29457
7755.0000 -107.19135 -104.63477 2.55658 1.80106 -104.74411 389.68066
7760.0000 -106.87373 -104.68973 2.18400 1.80524 -104.69280 398.49680
7765.0000 -106.83106 -104.34740 2.48366 1.80679 -104.67385 398.73498
7770.0000 -106.53051 -104.51089 2.01962 1.82860 -104.40611 418.80412
7775.0000 -106.80806 -104.40119 2.40687 1.82493 -104.45123 411.72574
7780.0000 -106.53789 -104.21223 2.32566 1.85246 -104.11328 433.15888
7785.0000 -106.66987 -104.29940 2.37047 1.82696 -104.42621 397.99620
7790.0000 -106.57082 -104.44165 2.12917 1.83853 -104.28429 404.09550
7795.0000 -106.63623 -104.77185 1.86438 1.83357 -104.34512 399.91040
7800.0000 -107.16503 -104.94848 2.21655 1.79534 -104.81432 369.38166
7805.0000 -106.78212 -104.62570 2.15642 1.82376 -104.46556 390.69366
7810.0000 -106.79870 -104.77775 2.02095 1.80740 -104.66629 365.44577
7815.0000 -106.85492 -104.55762 2.29730 1.79670 -104.79772 373.88387
7820.0000 -106.81600 -104.77012 2.04589 1.80859 -104.65168 393.94538
7825.0000 -107.18153 -105.02235 2.15919 1.78133 -104.98627 367.84388
7830.0000 -107.19710 -104.51640 2.68069 1.80724 -104.66833 399.71987
7835.0000 -107.03195 -104.50429 2.52765 1.81437 -104.58077 403.14635
7840.0000 -106.93335 -104.55315 2.38020 1.80718 -104.66908 393.70150
7845.0000 -106.59868 -103.97862 2.62005 1.84851 -104.16182 439.41022
7850.0000 -106.75254 -104.51883 2.23371 1.83276 -104.35512 417.32204
7855.0000 -106.73151 -104.80156 1.92995 1.82344 -104.46945 388.02926
7860.0000 -106.94283 -104.69152 2.25131 1.80498 -104.69608 384.24901
7865.0000 -107.15326 -104.78886 2.36440 1.81513 -104.57143 409.21573
7870.0000 -107.20599 -105.16919 2.03680 1.78063 -104.99495 363.51723
7875.0000 -106.85187 -104.34637 2.50550 1.80249 -104.72659 388.21041
7880.0000 -106.75034 -104.71537 2.03498 1.82327 -104.47158 400.81813
7885.0000 -106.56102 -105.05590 1.50512 1.78005 -105.00198 340.34427
7890.0000 -106.92028 -104.84088 2.07940 1.76976 -105.12829 319.85262
7895.0000 -106.53303 -104.73330 1.79973 1.80294 -104.72108 356.81469
7900.0000 -106.59069 -104.41077 2.17992 1.81428 -104.58188 379.86158
7905.0000 -106.83670 -104.52460 2.31211 1.82166 -104.49137 402.74633
7910.0000 -106.78332 -104.57137 2.21195 1.81648 -104.55484 408.06878
7915.0000 -106.88464 -104.59374 2.29090 1.81669 -104.55230 413.23382
7920.0000 -106.30225 -104.37544 1.92681 1.83070 -104.38041 391.66082
7925.0000 -106.47432 -104.38986 2.08446 1.83843 -104.28544 410.62512
7930.0000 -106.81986 -104.60650 2.21336 1.82919 -104.39892 387.42692
7935.0000 -106.77911 -104.53035 2.24876 1.81523 -104.57022 375.37631
7940.0000 -106.58835 -104.65984 1.92851 1.83015 -104.38716 385.50657
7945.0000 -106.62997 -104.40550 2.22446 1.81468 -104.57703 367.55548
7950.0000 -106.33495 -104.11601 2.21894 1.83468 -104.33156 377.66793
7955.0000 -105.91795 -103.51833 2.39961 1.87471 -103.84017 417.66764
7960.0000 -106.18327 -103.70857 2.47470 1.89970 -103.53351 435.08753
7965.0000 -106.58836 -104.05794 2.53042 1.87195 -103.87406 427.05747
7970.0000 -107.17329 -104.60877 2.56452 1.81333 -104.59358 401.16224
7975.0000 -106.65453 -104.63842 2.01611 1.81554 -104.56639 385.42745
7980.0000 -106.70296 -104.90886 1.79410 1.81027 -104.63107 380.64918
7985.0000 -107.00077 -104.78214 2.21864 1.80051 -104.75088 382.38164
7990.0000 -106.82464 -104.39095 2.43370 1.83722 -104.30029 424.27909
7995.0000 -106.41779 -103.92024 2.49755 1.86137 -104.00394 449.80330
8000.0000 -107.06858 -104.44655 2.62203 1.82941 -104.39622 422.98061
FREEZING PROCESS: loop number 33 T-loop= 371.00000000000000
main_MD> interactions number 33 at Temperature= 371.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.23570 -3.59769 -1.29607
force_rgl> df(natom) 0.19780 2.67990 -1.30881
8005.0000 -107.40915 -104.63328 2.77587 1.83287 -104.35377 435.79296
8010.0000 -106.94965 -105.01614 1.93351 1.80693 -104.67211 411.18416
8015.0000 -106.65802 -104.43641 2.22161 1.79966 -104.76134 403.04747
8020.0000 -106.90737 -104.72712 2.18024 1.80161 -104.73743 402.98367
8025.0000 -106.50856 -104.53563 1.97294 1.79735 -104.78972 397.90549
8030.0000 -107.14413 -105.25951 1.88462 1.77847 -105.02145 374.88339
8035.0000 -107.33285 -105.00691 2.32593 1.78660 -104.92165 388.43852
8040.0000 -106.83278 -104.62147 2.21131 1.76683 -105.16424 363.70892
8045.0000 -106.97071 -104.63887 2.33184 1.81228 -104.60648 429.64472
8050.0000 -106.74712 -104.85236 1.89477 1.81122 -104.61942 388.06289
8055.0000 -106.40384 -104.65785 1.74599 1.80752 -104.66487 377.13019
8060.0000 -106.75602 -104.66659 2.08943 1.81376 -104.58822 380.38465
8065.0000 -107.28114 -104.85497 2.42617 1.79994 -104.75794 395.70658
8070.0000 -107.19768 -104.80911 2.38857 1.78439 -104.94881 379.60310
8075.0000 -107.42171 -104.91770 2.50401 1.77672 -105.04285 379.88387
8080.0000 -107.10582 -105.02363 2.08219 1.77945 -105.00944 380.60611
8085.0000 -107.16914 -105.16946 1.99967 1.78037 -104.99807 384.00329
8090.0000 -106.85126 -104.45860 2.39266 1.81334 -104.59341 418.27900
8095.0000 -106.81166 -104.61780 2.19386 1.80850 -104.65288 396.25265
8100.0000 -106.74588 -105.23918 1.50670 1.76872 -105.14114 372.86448
8105.0000 -107.33121 -105.09170 2.23951 1.74409 -105.44341 346.85087
8110.0000 -107.28205 -105.43830 1.84375 1.76378 -105.20172 356.42396
8115.0000 -107.38658 -105.23669 2.14989 1.76397 -105.19943 361.16885
8120.0000 -106.61168 -104.71212 1.89956 1.77489 -105.06535 370.52614
8125.0000 -106.99387 -105.11557 1.87829 1.78761 -104.90925 397.47913
8130.0000 -107.56315 -105.77960 1.78354 1.71683 -105.77794 321.95387
8135.0000 -107.39547 -104.90403 2.49144 1.76131 -105.23206 361.22635
8140.0000 -106.73758 -104.67729 2.06029 1.79911 -104.76808 400.41360
8145.0000 -107.48121 -105.37760 2.10361 1.79427 -104.82744 404.00450
8150.0000 -107.43401 -105.23667 2.19735 1.78818 -104.90222 390.99888
8155.0000 -107.36291 -105.49880 1.86411 1.74470 -105.43589 346.66289
8160.0000 -107.44668 -105.44579 2.00089 1.75217 -105.34418 349.26747
8165.0000 -107.21256 -104.89858 2.31398 1.76500 -105.18670 368.56642
8170.0000 -106.81559 -105.03302 1.78257 1.78629 -104.92542 389.21571
8175.0000 -107.27435 -105.59110 1.68325 1.73656 -105.53586 336.61621
8180.0000 -106.92752 -105.31469 1.61283 1.74299 -105.45689 347.67714
8185.0000 -107.27315 -105.63612 1.63702 1.75135 -105.35433 356.23815
8190.0000 -106.97662 -104.97214 2.00448 1.74760 -105.40028 352.08418
8195.0000 -107.13206 -105.21473 1.91733 1.78314 -104.96415 388.34958
8200.0000 -107.39299 -105.31817 2.07482 1.75133 -105.35449 346.91855
8205.0000 -106.97702 -104.92860 2.04841 1.76574 -105.17767 366.81560
8210.0000 -107.32447 -105.31693 2.00754 1.77479 -105.06664 370.63485
8215.0000 -107.44566 -105.69345 1.75221 1.74912 -105.38162 358.85769
8220.0000 -107.34523 -105.31338 2.03185 1.76333 -105.20730 366.07800
8225.0000 -106.23914 -104.14156 2.09758 1.78579 -104.93158 386.53038
8230.0000 -107.15148 -104.46596 2.68552 1.82668 -104.42975 430.87790
8235.0000 -107.17687 -105.30969 1.86718 1.77348 -105.08264 372.46433
8240.0000 -107.42811 -105.00682 2.42129 1.76196 -105.22401 365.75964
8245.0000 -107.44874 -104.92119 2.52755 1.76616 -105.17248 369.17977
8250.0000 -107.21234 -105.23406 1.97828 1.76609 -105.17338 367.08518
FREEZING PROCESS: loop number 34 T-loop= 346.00000000000000
main_MD> interactions number 34 at Temperature= 346.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96710 -0.00155 -0.12843
force_rgl> df(natom) -0.69037 1.47791 -0.64294
8255.0000 -107.18860 -105.18315 2.00546 1.76670 -105.16592 359.14313
8260.0000 -107.10552 -105.66547 1.44005 1.75305 -105.33343 353.98604
8265.0000 -107.18468 -105.07288 2.11180 1.76410 -105.19781 366.97207
8270.0000 -107.38117 -105.29827 2.08291 1.74599 -105.42012 350.55207
8275.0000 -107.30236 -105.71331 1.58905 1.74022 -105.49089 340.92340
8280.0000 -107.70426 -105.39507 2.30919 1.74773 -105.39866 345.87218
8285.0000 -107.62588 -106.04355 1.58233 1.72918 -105.62641 329.67251
8290.0000 -107.31754 -105.17365 2.14389 1.74560 -105.42488 354.23356
8295.0000 -107.54886 -105.50010 2.04876 1.77379 -105.07882 378.72326
8300.0000 -107.57333 -105.59322 1.98011 1.73068 -105.60800 337.88063
8305.0000 -107.52685 -105.58605 1.94081 1.74163 -105.47364 346.63278
8310.0000 -107.41916 -105.48129 1.93787 1.73657 -105.53574 338.26472
8315.0000 -107.28671 -105.28243 2.00428 1.75202 -105.34608 351.92005
8320.0000 -106.70182 -104.59090 2.11092 1.79227 -104.85202 388.50620
8325.0000 -106.85014 -104.98859 1.86155 1.81782 -104.53842 422.27999
8330.0000 -107.08505 -105.09476 1.99030 1.77416 -105.07430 378.59951
8335.0000 -107.14618 -104.72417 2.42201 1.78161 -104.98287 386.19397
8340.0000 -107.57922 -105.97452 1.60471 1.73501 -105.55488 337.13175
8345.0000 -107.26405 -105.79894 1.46511 1.72284 -105.70416 313.02680
8350.0000 -107.13783 -105.26742 1.87040 1.73723 -105.52757 339.60589
8355.0000 -107.42746 -105.57293 1.85453 1.75333 -105.33002 355.93901
8360.0000 -107.30896 -105.63006 1.67890 1.73251 -105.58557 334.37189
8365.0000 -107.37874 -105.50073 1.87801 1.75444 -105.31631 360.06563
8370.0000 -107.34985 -105.48715 1.86270 1.75088 -105.36009 355.59957
8375.0000 -107.20536 -105.08008 2.12528 1.73110 -105.60289 335.84039
8380.0000 -107.36591 -105.55757 1.80834 1.73890 -105.50706 343.09335
8385.0000 -107.41794 -105.13474 2.28319 1.76351 -105.20505 360.24067
8390.0000 -107.30739 -105.26829 2.03909 1.74095 -105.48190 349.93161
8395.0000 -107.59120 -105.44395 2.14725 1.75547 -105.30368 356.15790
8400.0000 -107.22457 -105.59909 1.62548 1.72255 -105.70774 328.65854
8405.0000 -107.47864 -105.60258 1.87605 1.73748 -105.52446 336.97621
8410.0000 -107.42685 -105.80481 1.62204 1.71464 -105.80480 318.04332
8415.0000 -107.91294 -106.02040 1.89255 1.71484 -105.80243 320.22740
8420.0000 -107.30705 -105.76358 1.54346 1.71204 -105.83679 317.74756
8425.0000 -107.41031 -105.65565 1.75466 1.71612 -105.78670 320.62740
8430.0000 -107.42429 -105.30948 2.11481 1.74864 -105.38759 352.00732
8435.0000 -107.17820 -104.79048 2.38773 1.79390 -104.83206 398.58848
8440.0000 -107.42396 -105.97633 1.44763 1.72357 -105.69522 327.89188
8445.0000 -107.56406 -105.44515 2.11891 1.72140 -105.72185 319.15541
8450.0000 -107.05525 -105.20777 1.84748 1.76832 -105.14604 374.49581
8455.0000 -107.33331 -105.27662 2.05668 1.78639 -104.92424 385.07799
8460.0000 -107.26167 -105.09138 2.17029 1.77521 -105.06141 376.76336
8465.0000 -107.33475 -105.19730 2.13745 1.75592 -105.29813 361.37991
8470.0000 -107.15946 -105.03489 2.12457 1.75652 -105.29082 358.39573
8475.0000 -107.96265 -105.99396 1.96869 1.75147 -105.35286 353.51152
8480.0000 -107.47599 -105.78695 1.68904 1.70275 -105.95084 309.82395
8485.0000 -107.46973 -105.83010 1.63963 1.71647 -105.78236 318.14674
8490.0000 -107.47071 -105.76227 1.70844 1.70649 -105.90493 310.21648
8495.0000 -107.42028 -105.33590 2.08437 1.75340 -105.32909 358.34829
8500.0000 -107.23811 -105.10107 2.13704 1.76076 -105.23873 362.98434
FREEZING PROCESS: loop number 35 T-loop= 321.00000000000000
main_MD> interactions number 35 at Temperature= 321.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66735 -1.28776 1.06026
force_rgl> df(natom) -1.15346 -0.11678 2.24543
8505.0000 -107.06478 -104.68481 2.37997 1.78743 -104.91139 387.98091
8510.0000 -107.49806 -105.85509 1.64298 1.76960 -105.13035 375.52485
8515.0000 -107.52313 -106.07542 1.44772 1.69684 -106.02333 300.38569
8520.0000 -107.54457 -105.66826 1.87631 1.70602 -105.91067 305.06405
8525.0000 -107.69399 -106.01463 1.67936 1.72045 -105.73349 326.55120
8530.0000 -107.86357 -105.90761 1.95596 1.72062 -105.73142 326.13896
8535.0000 -107.74512 -105.92569 1.81943 1.70015 -105.98271 302.73822
8540.0000 -107.50192 -105.75427 1.74765 1.70804 -105.88589 308.59723
8545.0000 -107.36867 -105.50990 1.85877 1.73257 -105.58482 334.10035
8550.0000 -106.96210 -105.45771 1.50439 1.74549 -105.42616 329.74961
8555.0000 -107.71074 -106.17298 1.53776 1.70864 -105.87854 306.32363
8560.0000 -107.38547 -105.98740 1.39806 1.69980 -105.98703 298.16899
8565.0000 -107.55683 -105.71318 1.84365 1.71533 -105.79641 314.72177
8570.0000 -107.10617 -105.23975 1.86642 1.73264 -105.58397 335.74166
8575.0000 -107.70148 -106.11376 1.58772 1.72040 -105.73415 318.09151
8580.0000 -107.31906 -105.35730 1.96176 1.71173 -105.84052 313.97681
8585.0000 -107.13563 -105.22048 1.91515 1.76546 -105.18108 363.43642
8590.0000 -107.42983 -105.59946 1.83036 1.75351 -105.32782 363.46477
8595.0000 -107.68562 -105.86624 1.81938 1.71460 -105.80538 314.70767
8600.0000 -107.38608 -105.59415 1.79193 1.71518 -105.79826 313.07573
8605.0000 -107.44689 -105.69593 1.75096 1.73812 -105.51662 336.46680
8610.0000 -107.60224 -105.78509 1.81715 1.72886 -105.63030 327.18058
8615.0000 -107.56650 -105.80952 1.75698 1.69474 -106.04914 298.56548
8620.0000 -107.50589 -105.27909 2.22680 1.73598 -105.54293 340.40911
8625.0000 -107.30766 -105.50023 1.80743 1.75703 -105.28461 359.26777
8630.0000 -107.74044 -105.69201 2.04843 1.72319 -105.69989 329.45169
8635.0000 -107.98795 -106.26160 1.72636 1.69207 -106.08192 298.29546
8640.0000 -107.51038 -105.58518 1.92520 1.72002 -105.73877 317.75682
8645.0000 -107.24082 -105.62913 1.61169 1.73121 -105.60151 323.10348
8650.0000 -107.27512 -105.63655 1.63857 1.73723 -105.52765 341.54725
8655.0000 -107.40580 -105.50409 1.90172 1.73789 -105.51947 335.44496
8660.0000 -107.32672 -105.59154 1.73518 1.72872 -105.63208 327.47715
8665.0000 -107.68971 -106.23470 1.45500 1.71342 -105.81989 313.24621
8670.0000 -107.87776 -105.92519 1.95256 1.68967 -106.11138 290.73357
8675.0000 -107.59266 -105.51788 2.07478 1.72372 -105.69336 323.68729
8680.0000 -107.86150 -105.93037 1.93113 1.72162 -105.71921 318.02739
8685.0000 -107.49001 -106.11376 1.37625 1.70470 -105.92683 308.33641
8690.0000 -107.17447 -105.44822 1.72625 1.71579 -105.79074 313.94700
8695.0000 -107.80482 -105.75016 2.05466 1.72616 -105.66346 327.48076
8700.0000 -107.11746 -105.52851 1.58895 1.72384 -105.69195 321.54036
8705.0000 -107.54528 -105.50783 2.03746 1.72815 -105.63906 329.98306
8710.0000 -107.13960 -105.07025 2.06934 1.77228 -105.09736 376.89573
8715.0000 -107.40307 -105.62917 1.77389 1.73758 -105.52333 338.91153
8720.0000 -107.58149 -105.44525 2.13623 1.72471 -105.68124 325.31059
8725.0000 -107.05416 -105.17640 1.87776 1.75196 -105.34682 350.27393
8730.0000 -107.33890 -105.44805 1.89085 1.74483 -105.43428 344.93122
8735.0000 -107.50724 -105.79038 1.71685 1.73068 -105.60800 333.41507
8740.0000 -107.46984 -105.57966 1.89018 1.70251 -105.95375 303.86865
8745.0000 -107.13349 -105.07333 2.06016 1.74786 -105.39711 348.48576
8750.0000 -107.31766 -105.51185 1.80582 1.74322 -105.45407 341.18778
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 58.4726652 [s].
main_MD> Deallocating global variables
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