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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_23/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_23.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 = 23 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 23 2300
main_MD> Size of nv and nvoiz: 23 2300
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 = 23
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> -1.0520309104928656E-002 -0.16158487546380199 -0.20044943780694463 initial drift of cluster / NP1 for coalescence
init> 0.39015631904294656 0.38045796866434495 0.27020230253766819 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7562399052942803E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21351 0.18226 -2.57586
force_rgl> df(natom) -1.27244 -0.59083 1.78043
preparo> THERMALIZATION PROCESS AT 1223.7254443827303
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -43.614093334046032 3.8339351067225982 -47.448028440768631 6.7810828160657776E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
FREEZING PROCESS: loop number 1 T-loop= 1199.0000000000000
main_MD> interactions number 1 at Temperature= 1199.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31487 -2.34427 -1.34587
force_rgl> df(natom) -0.89800 2.39591 -0.78133
5.0000 -50.42508 -46.58640 3.83868 2.88431 -44.52290 1430.58386
10.0000 -51.89796 -48.39660 3.50136 2.54184 -47.29271 1229.46410
15.0000 -51.44582 -47.26383 4.18199 2.42653 -48.22527 1107.23528
20.0000 -51.47261 -48.23320 3.23942 2.41779 -48.29591 1131.25978
25.0000 -51.84739 -49.19753 2.64986 2.42729 -48.21907 1056.42374
30.0000 -51.61314 -48.36687 3.24628 2.34915 -48.85109 957.66236
35.0000 -50.46800 -47.58596 2.88204 2.44073 -48.11037 1169.58301
40.0000 -50.29373 -47.66186 2.63187 2.51071 -47.54447 1169.35239
45.0000 -50.74732 -47.43878 3.30853 2.52981 -47.38993 1155.22000
50.0000 -51.02473 -47.95090 3.07383 2.52020 -47.46769 1162.75408
55.0000 -51.78966 -48.16732 3.62234 2.42608 -48.22891 1044.03714
60.0000 -52.01271 -47.43524 4.57747 2.53746 -47.32806 1153.85012
65.0000 -52.24676 -48.21063 4.03612 2.46230 -47.93597 1072.55005
70.0000 -52.03046 -49.09925 2.93121 2.47498 -47.83338 1145.79417
75.0000 -52.21293 -49.20202 3.01091 2.29884 -49.25796 993.82053
80.0000 -51.40651 -47.92459 3.48192 2.38414 -48.56810 1089.24029
85.0000 -52.29136 -48.24006 4.05130 2.32111 -49.07782 992.86842
90.0000 -51.05817 -47.37246 3.68572 2.40596 -48.39161 1088.71628
95.0000 -50.35153 -47.26413 3.08740 2.52836 -47.40169 1170.64244
100.0000 -52.33202 -48.76367 3.56835 2.53906 -47.31513 1238.13676
105.0000 -50.02457 -46.96553 3.05904 2.45043 -48.03197 1057.26259
110.0000 -50.68138 -46.09593 4.58545 2.59419 -46.86928 1221.74623
115.0000 -50.78181 -46.79114 3.99067 2.71218 -45.91499 1400.87592
120.0000 -49.86270 -46.52249 3.34021 2.57913 -46.99105 1187.16086
125.0000 -51.85730 -48.07386 3.78344 2.52814 -47.40348 1093.94695
130.0000 -51.28632 -47.48592 3.80041 2.44230 -48.09772 1099.16396
135.0000 -51.97177 -47.26137 4.71039 2.53262 -47.36722 1210.45092
140.0000 -51.41732 -48.69608 2.72123 2.46467 -47.91675 1148.61681
145.0000 -50.34967 -47.78933 2.56034 2.39762 -48.45902 1051.81292
150.0000 -52.52406 -48.30254 4.22152 2.46204 -47.93805 1148.72275
155.0000 -50.69490 -46.49036 4.20454 2.52900 -47.39648 1161.00471
160.0000 -50.21822 -45.42705 4.79116 2.74325 -45.66379 1404.50417
165.0000 -51.98426 -49.27923 2.70503 2.52308 -47.44438 1164.06010
170.0000 -51.28339 -49.04630 2.23708 2.30872 -49.17808 936.40535
175.0000 -50.53420 -47.33021 3.20399 2.46233 -47.93573 1095.38183
180.0000 -50.65524 -47.47786 3.17738 2.52990 -47.38926 1180.88480
185.0000 -50.85663 -46.09601 4.76062 2.54579 -47.26071 1202.26033
190.0000 -50.78465 -46.64332 4.14132 2.65232 -46.39914 1309.67612
195.0000 -51.29743 -45.73246 5.56497 2.68284 -46.15231 1389.93075
200.0000 -51.13374 -48.46049 2.67325 2.52464 -47.43176 1250.85822
205.0000 -51.58027 -47.60261 3.97766 2.46690 -47.89874 1083.40423
210.0000 -51.66141 -48.72482 2.93658 2.45357 -48.00657 1017.12820
215.0000 -50.87714 -47.83351 3.04362 2.43225 -48.17898 1003.03921
220.0000 -50.17472 -46.52550 3.64922 2.56972 -47.06720 1212.71386
225.0000 -52.30583 -48.34916 3.95667 2.52959 -47.39170 1236.35468
230.0000 -51.58679 -47.71235 3.87444 2.50253 -47.61062 1216.71614
235.0000 -50.80848 -46.77473 4.03375 2.49131 -47.70133 1170.89581
240.0000 -51.09175 -48.72163 2.37013 2.49891 -47.63987 1212.97515
245.0000 -50.29609 -47.10404 3.19205 2.48622 -47.74250 1131.77001
250.0000 -50.66408 -47.85278 2.81130 2.56455 -47.10897 1164.03531
FREEZING PROCESS: loop number 2 T-loop= 1174.0000000000000
main_MD> interactions number 2 at Temperature= 1174.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.98714 -3.36527 -2.95165
force_rgl> df(natom) -3.48623 -5.38288 -1.27770
255.0000 -51.27517 -48.07182 3.20336 2.49979 -47.63278 1123.23396
260.0000 -52.13137 -48.82621 3.30515 2.47731 -47.81460 1106.83261
265.0000 -51.73779 -48.61893 3.11886 2.34738 -48.86536 1013.93077
270.0000 -49.96106 -46.72080 3.24026 2.53888 -47.31663 1253.84768
275.0000 -51.15430 -47.35619 3.79812 2.58711 -46.92657 1273.90078
280.0000 -50.94004 -46.95196 3.98808 2.51250 -47.52996 1190.26386
285.0000 -50.36915 -47.56356 2.80559 2.52804 -47.40425 1196.60281
290.0000 -52.52001 -49.86384 2.65616 2.34346 -48.89712 1011.94914
295.0000 -51.07595 -47.37277 3.70318 2.43539 -48.15360 1152.21525
300.0000 -50.22987 -46.77352 3.45635 2.51586 -47.50282 1131.73601
305.0000 -50.44677 -47.51496 2.93181 2.53713 -47.33073 1241.08159
310.0000 -51.32676 -48.18204 3.14472 2.47929 -47.79857 1042.37168
315.0000 -50.51045 -47.55044 2.96002 2.54472 -47.26941 1214.58798
320.0000 -50.28298 -46.85510 3.42788 2.47393 -47.84187 1117.06092
325.0000 -51.35476 -47.77509 3.57967 2.44715 -48.05847 1106.97358
330.0000 -51.66032 -48.71280 2.94751 2.41047 -48.35513 1112.26663
335.0000 -50.98962 -47.87310 3.11652 2.36983 -48.68383 1052.60768
340.0000 -50.93999 -47.51006 3.42993 2.45163 -48.02227 1089.53193
345.0000 -51.73346 -47.55904 4.17442 2.50438 -47.59565 1122.41011
350.0000 -52.42788 -49.26815 3.15973 2.48733 -47.73355 1189.57840
355.0000 -51.42531 -47.30130 4.12401 2.40025 -48.43780 1079.69930
360.0000 -50.40236 -47.53051 2.87185 2.52821 -47.40288 1167.48356
365.0000 -51.58616 -47.50058 4.08558 2.48266 -47.77129 1123.53202
370.0000 -51.96986 -48.55466 3.41520 2.54246 -47.28766 1213.74666
375.0000 -52.43886 -49.92181 2.51704 2.30461 -49.21129 905.82292
380.0000 -51.22770 -48.13998 3.08772 2.25936 -49.57726 916.05264
385.0000 -50.57549 -46.87113 3.70436 2.51946 -47.47370 1219.47304
390.0000 -50.55458 -47.52106 3.03352 2.47830 -47.80659 1163.59555
395.0000 -51.37407 -48.26928 3.10479 2.52264 -47.44796 1190.26423
400.0000 -50.83021 -46.85127 3.97893 2.52656 -47.41628 1170.03542
405.0000 -51.29313 -47.98891 3.30422 2.50368 -47.60129 1214.67492
410.0000 -52.01903 -48.77170 3.24733 2.33101 -48.99780 968.03832
415.0000 -51.97060 -48.01928 3.95132 2.36777 -48.70046 1131.89500
420.0000 -50.01145 -46.88846 3.12299 2.49733 -47.65267 1203.62033
425.0000 -50.51950 -46.86115 3.65835 2.52364 -47.43982 1156.36403
430.0000 -51.20950 -48.22367 2.98583 2.45862 -47.96568 1111.76948
435.0000 -50.12654 -46.17367 3.95287 2.57208 -47.04809 1183.47188
440.0000 -49.39436 -45.53924 3.85512 2.64971 -46.42026 1263.32727
445.0000 -51.48621 -48.63011 2.85610 2.64851 -46.42997 1309.80626
450.0000 -50.50254 -47.31681 3.18573 2.44895 -48.04392 1064.00640
455.0000 -51.84938 -48.80105 3.04833 2.47739 -47.81393 1097.11615
460.0000 -52.14964 -49.16321 2.98643 2.33420 -48.97201 961.43720
465.0000 -51.71692 -49.30235 2.41457 2.29398 -49.29724 1010.71282
470.0000 -50.66892 -48.23884 2.43008 2.36214 -48.74602 1027.75567
475.0000 -51.32890 -47.82101 3.50789 2.51878 -47.47913 1175.69239
480.0000 -48.62616 -45.25491 3.37126 2.59872 -46.83266 1217.19261
485.0000 -51.13647 -47.33909 3.79738 2.64439 -46.46332 1284.51317
490.0000 -51.00137 -47.44867 3.55269 2.58713 -46.92639 1239.54304
495.0000 -51.05882 -47.58401 3.47481 2.49206 -47.69530 1162.75364
500.0000 -51.68069 -48.03327 3.64742 2.44779 -48.05332 1167.35942
FREEZING PROCESS: loop number 3 T-loop= 1149.0000000000000
main_MD> interactions number 3 at Temperature= 1149.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71414 -3.32248 2.17173
force_rgl> df(natom) 1.44856 -0.66639 5.28576
505.0000 -51.24227 -48.12381 3.11847 2.48593 -47.74486 1187.32577
510.0000 -50.77649 -46.77701 3.99948 2.47280 -47.85105 1193.13659
515.0000 -51.70387 -46.98946 4.71441 2.61892 -46.66931 1312.86874
520.0000 -51.17670 -46.90816 4.26854 2.58807 -46.91876 1261.71930
525.0000 -49.68293 -46.52921 3.15371 2.61807 -46.67612 1324.88903
530.0000 -52.01117 -47.64168 4.36949 2.53678 -47.33358 1181.93030
535.0000 -50.73395 -47.28709 3.44686 2.59688 -46.84755 1250.08980
540.0000 -52.08223 -48.57115 3.51108 2.48098 -47.78488 1111.75620
545.0000 -52.18498 -49.62134 2.56364 2.33103 -48.99760 1064.67583
550.0000 -52.13739 -49.83044 2.30695 2.30170 -49.23481 906.57338
555.0000 -51.42171 -48.34726 3.07445 2.35089 -48.83699 973.29279
560.0000 -51.53180 -48.92107 2.61074 2.39179 -48.50621 1055.35842
565.0000 -51.28485 -48.73691 2.54794 2.38536 -48.55820 985.50067
570.0000 -51.24796 -47.29264 3.95532 2.40138 -48.42867 1045.65476
575.0000 -51.58630 -48.21415 3.37215 2.52390 -47.43776 1159.32168
580.0000 -52.33649 -49.54104 2.79545 2.39636 -48.46924 1016.59800
585.0000 -52.01424 -47.50893 4.50531 2.40297 -48.41581 1032.68910
590.0000 -50.35841 -47.20123 3.15717 2.55289 -47.20332 1238.76487
595.0000 -50.23252 -46.98160 3.25092 2.52451 -47.43282 1212.46125
600.0000 -50.80811 -47.67742 3.13069 2.63432 -46.54473 1344.57105
605.0000 -51.01278 -46.80232 4.21046 2.54114 -47.29835 1262.62377
610.0000 -49.79824 -46.48054 3.31770 2.61003 -46.74121 1241.31268
615.0000 -50.79389 -47.63801 3.15588 2.56576 -47.09923 1207.04506
620.0000 -50.99640 -47.48058 3.51582 2.45909 -47.96193 1040.47659
625.0000 -50.91284 -46.76971 4.14313 2.55657 -47.17353 1242.58011
630.0000 -51.50122 -48.84284 2.65838 2.39216 -48.50325 1108.18122
635.0000 -50.55363 -47.25167 3.30196 2.43946 -48.12068 1084.84342
640.0000 -49.24831 -45.47300 3.77531 2.57129 -47.05447 1220.83193
645.0000 -50.61244 -47.10364 3.50880 2.66083 -46.33030 1268.10264
650.0000 -49.86058 -46.57942 3.28116 2.62324 -46.63435 1365.30190
655.0000 -50.28273 -46.47171 3.81103 2.60312 -46.79709 1367.83059
660.0000 -50.98883 -47.79890 3.18994 2.49871 -47.64148 1146.32526
665.0000 -50.01036 -46.31000 3.70035 2.58565 -46.93836 1289.55644
670.0000 -50.18550 -47.06152 3.12398 2.61950 -46.66458 1264.79571
675.0000 -49.26261 -45.69840 3.56421 2.59254 -46.88261 1234.23997
680.0000 -50.21951 -46.57241 3.64710 2.68716 -46.11737 1345.34188
685.0000 -52.20198 -48.74891 3.45307 2.48482 -47.75381 1086.22909
690.0000 -52.94926 -48.71562 4.23364 2.39579 -48.47383 1095.72121
695.0000 -51.51044 -47.80466 3.70578 2.38384 -48.57051 1077.30573
700.0000 -51.40572 -48.19352 3.21220 2.49908 -47.63851 1159.64131
705.0000 -51.01502 -47.48728 3.52774 2.43619 -48.14711 1150.04082
710.0000 -50.65404 -47.42296 3.23108 2.54109 -47.29876 1245.68073
715.0000 -51.83825 -47.40938 4.42887 2.50604 -47.58223 1199.89717
720.0000 -51.58315 -47.23437 4.34878 2.53883 -47.31705 1258.18864
725.0000 -51.31461 -47.26581 4.04880 2.53989 -47.30847 1277.91709
730.0000 -52.34149 -48.00432 4.33718 2.50293 -47.60738 1170.97283
735.0000 -51.45185 -49.03932 2.41253 2.45124 -48.02543 1124.40963
740.0000 -51.28797 -47.50100 3.78698 2.36960 -48.68571 1117.54623
745.0000 -50.47172 -46.92459 3.54713 2.60658 -46.76907 1336.30834
750.0000 -51.47004 -48.48864 2.98140 2.43944 -48.12087 1102.04941
FREEZING PROCESS: loop number 4 T-loop= 1124.0000000000000
main_MD> interactions number 4 at Temperature= 1124.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.34624 4.16558 -2.31155
force_rgl> df(natom) 3.12097 6.08634 -0.20767
755.0000 -52.01564 -47.94912 4.06653 2.46427 -47.92001 1113.92193
760.0000 -51.25964 -47.82848 3.43116 2.47265 -47.85227 1155.26257
765.0000 -51.27795 -48.38806 2.88989 2.40360 -48.41069 1060.19755
770.0000 -50.58408 -46.69319 3.89089 2.48438 -47.75736 1200.44537
775.0000 -49.56762 -46.11617 3.45146 2.69781 -46.03126 1403.11147
780.0000 -48.95606 -45.47869 3.47738 2.66975 -46.25820 1213.59713
785.0000 -50.88407 -47.24448 3.63959 2.72998 -45.77109 1436.94357
790.0000 -49.40033 -46.46338 2.93695 2.59623 -46.85279 1216.12415
795.0000 -51.01734 -47.37890 3.63844 2.57518 -47.02301 1215.23183
800.0000 -50.61851 -45.92473 4.69378 2.52753 -47.40843 1158.95380
805.0000 -50.43892 -47.13420 3.30472 2.68176 -46.16107 1393.80724
810.0000 -51.81270 -48.40206 3.41064 2.53775 -47.32572 1185.97514
815.0000 -51.62005 -48.61569 3.00435 2.40008 -48.43919 1064.48543
820.0000 -52.07238 -48.72720 3.34518 2.41120 -48.34920 1088.94437
825.0000 -49.94432 -46.88481 3.05951 2.42693 -48.22201 1085.36245
830.0000 -50.10417 -46.08165 4.02252 2.67665 -46.20235 1320.99338
835.0000 -52.03372 -48.40089 3.63282 2.52787 -47.40566 1262.94000
840.0000 -51.63633 -48.93157 2.70476 2.34801 -48.86027 983.07306
845.0000 -50.95216 -47.67079 3.28138 2.39171 -48.50682 1014.53532
850.0000 -51.26750 -47.73926 3.52824 2.53339 -47.36104 1281.95526
855.0000 -52.14880 -49.17971 2.96909 2.39571 -48.47454 1030.32817
860.0000 -51.81815 -48.60989 3.20826 2.34175 -48.91094 1051.80408
865.0000 -52.04733 -49.54081 2.50652 2.32451 -49.05031 999.05584
870.0000 -51.15859 -48.72231 2.43628 2.37215 -48.66503 1074.54912
875.0000 -50.76635 -46.15368 4.61267 2.53740 -47.32860 1205.06808
880.0000 -51.04358 -46.44122 4.60236 2.64202 -46.48242 1296.45996
885.0000 -52.31030 -48.90892 3.40138 2.53921 -47.31393 1308.66461
890.0000 -51.98721 -48.64525 3.34197 2.32911 -49.01312 952.36518
895.0000 -50.96075 -48.29452 2.66624 2.42075 -48.27196 1066.22473
900.0000 -52.71558 -48.48245 4.23313 2.43267 -48.17560 1108.92292
905.0000 -51.34023 -47.80247 3.53777 2.47014 -47.87256 1149.25864
910.0000 -52.04032 -48.39082 3.64950 2.48685 -47.73742 1192.93970
915.0000 -52.63000 -49.10221 3.52779 2.34562 -48.87957 1070.40588
920.0000 -51.48791 -48.59768 2.89023 2.36820 -48.69703 1087.43904
925.0000 -52.09103 -48.80221 3.28882 2.40555 -48.39490 1090.64310
930.0000 -52.40759 -49.06377 3.34381 2.32321 -49.06085 1001.06218
935.0000 -51.74420 -48.52403 3.22018 2.36889 -48.69145 1056.37176
940.0000 -50.67879 -47.55814 3.12065 2.42849 -48.20938 1165.06301
945.0000 -50.43578 -46.75305 3.68274 2.51351 -47.52182 1230.66845
950.0000 -50.96350 -47.84682 3.11668 2.50868 -47.56089 1192.90732
955.0000 -52.04637 -49.06575 2.98062 2.38908 -48.52812 1103.19144
960.0000 -51.64182 -49.10059 2.54123 2.27981 -49.41183 961.19825
965.0000 -51.02163 -47.90170 3.11993 2.39513 -48.47916 1085.22253
970.0000 -50.95490 -48.00699 2.94791 2.45655 -47.98249 1031.20689
975.0000 -51.73995 -49.10069 2.63925 2.39390 -48.48918 1061.58331
980.0000 -51.40231 -48.84721 2.55510 2.34331 -48.89833 1029.60473
985.0000 -51.05179 -48.10562 2.94617 2.33378 -48.97534 998.73053
990.0000 -52.33132 -47.18725 5.14407 2.44759 -48.05491 1103.83778
995.0000 -52.04377 -49.07583 2.96794 2.44326 -48.08991 1108.27033
1000.0000 -52.80534 -49.89042 2.91492 2.27651 -49.43852 973.90113
FREEZING PROCESS: loop number 5 T-loop= 1099.0000000000000
main_MD> interactions number 5 at Temperature= 1099.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25817 -0.87635 -0.62326
force_rgl> df(natom) 2.43491 -2.59960 -0.19769
1005.0000 -53.11901 -49.36503 3.75398 2.23077 -49.80846 944.26035
1010.0000 -51.61479 -49.02644 2.58835 2.27868 -49.42096 957.93822
1015.0000 -51.62112 -48.04924 3.57188 2.47340 -47.84619 1123.59429
1020.0000 -50.66613 -47.97957 2.68656 2.44063 -48.11122 1087.49480
1025.0000 -51.33078 -48.45838 2.87240 2.38315 -48.57611 1047.39458
1030.0000 -51.89718 -49.43765 2.45954 2.36020 -48.76170 1027.26812
1035.0000 -51.90102 -48.54522 3.35580 2.29909 -49.25593 944.59477
1040.0000 -50.51451 -47.06766 3.44685 2.49022 -47.71013 1099.80540
1045.0000 -51.06893 -46.98101 4.08792 2.58881 -46.91276 1219.93357
1050.0000 -51.32890 -49.48894 1.83996 2.48494 -47.75283 1126.57879
1055.0000 -50.67019 -47.53514 3.13505 2.39494 -48.48074 1024.02254
1060.0000 -49.53160 -45.41672 4.11487 2.65728 -46.35901 1304.62564
1065.0000 -50.50126 -47.12935 3.37190 2.60736 -46.76277 1306.70677
1070.0000 -50.00742 -46.57928 3.42814 2.59770 -46.84089 1174.86858
1075.0000 -51.09937 -47.65718 3.44219 2.50614 -47.58137 1178.89007
1080.0000 -50.70949 -47.66539 3.04410 2.56476 -47.10729 1242.97730
1085.0000 -52.11833 -48.88296 3.23536 2.43037 -48.19421 1119.22061
1090.0000 -51.46631 -49.03688 2.42943 2.30856 -49.17935 964.12780
1095.0000 -51.40070 -47.94428 3.45643 2.42285 -48.25504 1112.80422
1100.0000 -51.06560 -47.11022 3.95538 2.55236 -47.20755 1208.45839
1105.0000 -50.43518 -46.55007 3.88511 2.51228 -47.53173 1130.97856
1110.0000 -51.09820 -48.12697 2.97124 2.52346 -47.44132 1128.67421
1115.0000 -51.33785 -48.12365 3.21420 2.44555 -48.07142 1016.29857
1120.0000 -50.23998 -46.91249 3.32749 2.56634 -47.09454 1203.79910
1125.0000 -50.78396 -47.58073 3.20323 2.51122 -47.54028 1172.39523
1130.0000 -51.13667 -47.34969 3.78698 2.58336 -46.95690 1359.14165
1135.0000 -51.54086 -47.88659 3.65427 2.47791 -47.80971 1128.60477
1140.0000 -50.59771 -46.36788 4.22984 2.54892 -47.23541 1200.22655
1145.0000 -51.10616 -47.55062 3.55555 2.56957 -47.06841 1294.48897
1150.0000 -50.40803 -46.73849 3.66954 2.55341 -47.19908 1203.98240
1155.0000 -51.93079 -47.18629 4.74450 2.59290 -46.87969 1275.71243
1160.0000 -51.28860 -48.79409 2.49451 2.46640 -47.90276 1122.68195
1165.0000 -51.11088 -48.11730 2.99358 2.34808 -48.85970 1025.99387
1170.0000 -50.60372 -47.62274 2.98097 2.44091 -48.10895 1079.13227
1175.0000 -51.52102 -48.45901 3.06201 2.42270 -48.25621 1128.24675
1180.0000 -51.80075 -48.66209 3.13866 2.35833 -48.77681 1096.36606
1185.0000 -51.30632 -48.02133 3.28498 2.42599 -48.22962 1085.65075
1190.0000 -51.61899 -47.94042 3.67857 2.45951 -47.95854 1115.42415
1195.0000 -50.07443 -46.53781 3.53662 2.61243 -46.72175 1231.78377
1200.0000 -51.37980 -48.76996 2.60984 2.51556 -47.50518 1118.01317
1205.0000 -51.57946 -48.55416 3.02530 2.39603 -48.47190 1025.16730
1210.0000 -51.78190 -48.50331 3.27859 2.39221 -48.50279 1073.27932
1215.0000 -51.28014 -48.07634 3.20380 2.40013 -48.43873 1030.66251
1220.0000 -51.62137 -48.39582 3.22555 2.44118 -48.10676 1094.16077
1225.0000 -51.29028 -47.21759 4.07269 2.48249 -47.77265 1244.31363
1230.0000 -52.03377 -48.50996 3.52380 2.45188 -48.02019 1090.89960
1235.0000 -51.11982 -48.12627 2.99356 2.40309 -48.41485 983.19941
1240.0000 -51.11639 -47.69310 3.42329 2.42607 -48.22900 1068.35279
1245.0000 -50.68753 -47.33988 3.34765 2.60233 -46.80343 1314.51918
1250.0000 -52.12823 -47.04261 5.08561 2.53656 -47.33536 1257.65674
FREEZING PROCESS: loop number 6 T-loop= 1074.0000000000000
main_MD> interactions number 6 at Temperature= 1074.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70308 -0.73498 3.04584
force_rgl> df(natom) -0.67853 -0.31075 2.12509
1255.0000 -50.60768 -46.39836 4.20932 2.52608 -47.42013 1289.00852
1260.0000 -49.92418 -47.08933 2.83485 2.55042 -47.22330 1221.24678
1265.0000 -51.41246 -47.68101 3.73145 2.56333 -47.11886 1172.21982
1270.0000 -52.10072 -49.28038 2.82034 2.37298 -48.65836 1075.02340
1275.0000 -52.00880 -48.76918 3.23962 2.35310 -48.81912 979.29721
1280.0000 -52.22303 -49.29209 2.93095 2.30326 -49.22220 1004.91454
1285.0000 -52.45530 -48.22788 4.22742 2.39296 -48.49674 1123.59400
1290.0000 -50.50019 -48.47411 2.02608 2.41703 -48.30209 1058.79406
1295.0000 -51.46705 -48.06888 3.39817 2.43708 -48.13996 1105.70880
1300.0000 -50.88514 -47.27058 3.61455 2.49345 -47.68404 1235.33128
1305.0000 -51.99162 -48.94486 3.04676 2.45620 -47.98526 1142.67758
1310.0000 -50.97900 -48.01851 2.96049 2.36515 -48.72164 1011.86251
1315.0000 -51.82543 -49.07738 2.74804 2.50924 -47.55632 1113.73164
1320.0000 -52.80122 -48.28006 4.52116 2.38734 -48.54220 1056.52971
1325.0000 -51.33360 -48.18187 3.15173 2.40562 -48.39435 1058.45294
1330.0000 -50.46983 -47.00760 3.46223 2.55271 -47.20472 1227.74738
1335.0000 -50.17024 -46.78978 3.38046 2.56052 -47.14162 1246.53865
1340.0000 -51.00635 -46.74689 4.25946 2.63101 -46.57146 1303.83722
1345.0000 -50.56297 -47.25448 3.30848 2.54275 -47.28527 1207.05944
1350.0000 -52.39749 -49.16223 3.23526 2.37600 -48.63394 1093.89049
1355.0000 -52.32678 -49.00008 3.32671 2.39875 -48.44989 1068.85068
1360.0000 -52.64055 -49.10947 3.53108 2.31060 -49.16281 1018.67753
1365.0000 -51.27309 -48.23393 3.03916 2.41830 -48.29180 1066.83128
1370.0000 -51.88603 -47.96943 3.91660 2.39253 -48.50022 1124.86631
1375.0000 -50.25345 -45.80865 4.44480 2.53090 -47.38112 1219.56290
1380.0000 -51.87940 -46.83251 5.04689 2.69096 -46.08667 1341.30683
1385.0000 -51.69774 -49.16440 2.53334 2.41470 -48.32093 1146.51085
1390.0000 -51.95847 -49.55443 2.40404 2.29303 -49.30494 918.40668
1395.0000 -51.83984 -49.43407 2.40577 2.30045 -49.24494 915.44645
1400.0000 -52.97291 -50.08019 2.89272 2.16116 -50.37146 818.63962
1405.0000 -51.78989 -47.69315 4.09673 2.33118 -48.99637 1025.12293
1410.0000 -50.51851 -46.26074 4.25777 2.57330 -47.03822 1245.56437
1415.0000 -51.06616 -47.02243 4.04373 2.65350 -46.38958 1263.40333
1420.0000 -51.15672 -47.25085 3.90587 2.55334 -47.19967 1185.79015
1425.0000 -50.92928 -48.19827 2.73101 2.43992 -48.11692 1161.00613
1430.0000 -51.55731 -49.11872 2.43859 2.40321 -48.41388 1091.70277
1435.0000 -51.55375 -48.48585 3.06790 2.41854 -48.28987 1130.26818
1440.0000 -52.07896 -49.06353 3.01543 2.38791 -48.53760 1061.72481
1445.0000 -51.53646 -49.35059 2.18588 2.35375 -48.81390 1003.27355
1450.0000 -51.90168 -48.44921 3.45247 2.38757 -48.54036 1055.28766
1455.0000 -51.04478 -47.82701 3.21777 2.46688 -47.89891 1095.87533
1460.0000 -51.13291 -47.62338 3.50953 2.61520 -46.69937 1292.16862
1465.0000 -51.77320 -48.91215 2.86105 2.41810 -48.29344 1091.15326
1470.0000 -52.04540 -49.52633 2.51907 2.32300 -49.06256 961.39763
1475.0000 -52.36758 -49.12465 3.24294 2.24840 -49.66589 924.26910
1480.0000 -51.60845 -48.09682 3.51162 2.39363 -48.49136 1068.77149
1485.0000 -50.73902 -47.09433 3.64469 2.51783 -47.48683 1185.56004
1490.0000 -51.54650 -48.57478 2.97172 2.44894 -48.04400 1116.32076
1495.0000 -51.92682 -48.40214 3.52467 2.38850 -48.53284 1046.74742
1500.0000 -51.53470 -48.59058 2.94412 2.36875 -48.69252 1032.70940
FREEZING PROCESS: loop number 7 T-loop= 1049.0000000000000
main_MD> interactions number 7 at Temperature= 1049.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.76211 3.03379 2.79967
force_rgl> df(natom) 2.41962 0.36118 -1.42829
1505.0000 -51.83818 -48.97732 2.86085 2.32229 -49.06827 963.38678
1510.0000 -51.94734 -49.20829 2.73905 2.33907 -48.93262 981.85468
1515.0000 -52.25408 -48.92031 3.33377 2.39365 -48.49113 1066.16365
1520.0000 -52.60329 -49.64413 2.95916 2.30820 -49.18229 960.90353
1525.0000 -52.35893 -49.85915 2.49978 2.30289 -49.22523 962.40492
1530.0000 -51.04346 -47.71433 3.32914 2.33965 -48.92787 961.28497
1535.0000 -50.95395 -47.47411 3.47984 2.54283 -47.28467 1242.97253
1540.0000 -51.56532 -46.64650 4.91882 2.56512 -47.10439 1279.00625
1545.0000 -49.34632 -46.24869 3.09762 2.62780 -46.59750 1242.97709
1550.0000 -49.72526 -45.96076 3.76450 2.72587 -45.80431 1290.92545
1555.0000 -50.63540 -47.98035 2.65505 2.65200 -46.40174 1273.46955
1560.0000 -50.52114 -46.29171 4.22943 2.54208 -47.29074 1254.29896
1565.0000 -50.13925 -47.03009 3.10916 2.59580 -46.85627 1267.06613
1570.0000 -51.43178 -47.59352 3.83826 2.51878 -47.47917 1188.81977
1575.0000 -51.10865 -48.52500 2.58365 2.37115 -48.67313 1033.70943
1580.0000 -51.95644 -48.87687 3.07956 2.34059 -48.92029 1022.46413
1585.0000 -53.11243 -49.70039 3.41204 2.22305 -49.87090 866.39547
1590.0000 -52.53663 -49.55119 2.98545 2.25451 -49.61649 910.18975
1595.0000 -53.35927 -48.90858 4.45069 2.31853 -49.09873 996.90881
1600.0000 -51.14334 -48.59743 2.54591 2.30611 -49.19914 1011.95043
1605.0000 -52.31239 -48.18333 4.12906 2.38818 -48.53543 1062.62431
1610.0000 -51.76655 -48.41304 3.35351 2.41921 -48.28444 1066.53617
1615.0000 -53.28751 -49.36385 3.92367 2.30405 -49.21578 1020.26779
1620.0000 -51.66120 -48.35507 3.30613 2.30856 -49.17931 1013.01675
1625.0000 -51.19077 -47.33429 3.85647 2.55118 -47.21714 1214.97319
1630.0000 -49.89479 -47.19704 2.69775 2.56554 -47.10098 1195.00478
1635.0000 -50.60996 -48.44005 2.16990 2.45532 -47.99243 1027.21966
1640.0000 -51.96609 -49.17340 2.79268 2.39617 -48.47079 1062.07308
1645.0000 -51.01827 -47.68067 3.33760 2.41275 -48.33670 1082.30534
1650.0000 -51.60717 -48.53819 3.06898 2.34682 -48.86993 1051.95016
1655.0000 -50.37611 -46.35496 4.02115 2.59660 -46.84977 1268.91070
1660.0000 -51.62340 -47.49133 4.13207 2.61775 -46.67872 1267.00712
1665.0000 -50.42371 -47.96793 2.45578 2.46287 -47.93136 1172.72336
1670.0000 -51.58523 -48.38913 3.19611 2.41597 -48.31065 1062.31198
1675.0000 -52.66205 -49.36523 3.29682 2.40989 -48.35985 1111.26873
1680.0000 -52.71283 -49.65650 3.05633 2.27859 -49.42169 969.68333
1685.0000 -53.02486 -50.47974 2.54512 2.17501 -50.25942 860.97794
1690.0000 -52.60354 -49.36287 3.24067 2.24121 -49.72400 927.85380
1695.0000 -50.88898 -47.77264 3.11633 2.39340 -48.49317 1029.72332
1700.0000 -51.92287 -48.41364 3.50924 2.45842 -47.96732 1083.76075
1705.0000 -51.61409 -46.97544 4.63865 2.48198 -47.77679 1175.69179
1710.0000 -51.25018 -47.27093 3.97925 2.52997 -47.38864 1153.65092
1715.0000 -50.88606 -46.68931 4.19675 2.53963 -47.31052 1222.38121
1720.0000 -51.23127 -47.96827 3.26300 2.66019 -46.33550 1277.27687
1725.0000 -51.77044 -49.35081 2.41963 2.34763 -48.86334 1006.27199
1730.0000 -51.83310 -49.28434 2.54876 2.24792 -49.66973 908.26977
1735.0000 -52.17982 -49.25771 2.92211 2.27579 -49.44437 1002.99552
1740.0000 -51.12044 -48.43378 2.68665 2.32410 -49.05369 992.29953
1745.0000 -52.47639 -49.21934 3.25706 2.36880 -48.69211 1051.14273
1750.0000 -52.54212 -49.81610 2.72602 2.29721 -49.27110 1008.94768
FREEZING PROCESS: loop number 8 T-loop= 1024.0000000000000
main_MD> interactions number 8 at Temperature= 1024.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33965 3.59121 -1.04829
force_rgl> df(natom) -2.83095 -2.45276 0.46677
1755.0000 -52.42494 -48.90873 3.51621 2.27364 -49.46175 926.28747
1760.0000 -52.63771 -49.51816 3.11955 2.37130 -48.67191 1031.86181
1765.0000 -51.76009 -49.13313 2.62697 2.27814 -49.42533 906.49423
1770.0000 -52.77828 -49.63654 3.14174 2.32883 -49.01541 1024.11356
1775.0000 -52.24093 -50.11501 2.12592 2.26941 -49.49593 920.44496
1780.0000 -51.64433 -49.28190 2.36243 2.26279 -49.54949 889.67109
1785.0000 -51.58100 -49.28981 2.29119 2.31507 -49.12666 969.76352
1790.0000 -51.70002 -48.33448 3.36554 2.44144 -48.10468 1051.11320
1795.0000 -51.96135 -48.55368 3.40767 2.42865 -48.20807 1134.85575
1800.0000 -52.51708 -49.87047 2.64662 2.33401 -48.97355 1059.12182
1805.0000 -52.27006 -49.53614 2.73392 2.22581 -49.84861 922.38979
1810.0000 -51.80636 -48.59102 3.21534 2.27392 -49.45951 946.83374
1815.0000 -52.79853 -49.76290 3.03563 2.33969 -48.92757 1010.12513
1820.0000 -51.79140 -49.06907 2.72233 2.29683 -49.27417 919.08603
1825.0000 -51.84564 -48.94453 2.90111 2.31502 -49.12709 949.58971
1830.0000 -52.51903 -48.75303 3.76601 2.32839 -49.01900 992.43217
1835.0000 -51.91600 -49.41817 2.49783 2.31277 -49.14531 943.21798
1840.0000 -52.68532 -50.45999 2.22533 2.23097 -49.80689 896.11577
1845.0000 -53.33133 -50.32158 3.00975 2.21105 -49.96792 899.27610
1850.0000 -51.54590 -48.91126 2.63464 2.29589 -49.28183 956.22720
1855.0000 -51.28571 -48.82530 2.46041 2.38752 -48.54074 1042.38451
1860.0000 -52.85373 -50.27214 2.58159 2.22797 -49.83115 874.84360
1865.0000 -53.11201 -49.87202 3.23999 2.24488 -49.69438 922.12968
1870.0000 -52.64234 -49.28920 3.35313 2.28800 -49.34562 1006.34796
1875.0000 -51.53667 -48.32388 3.21280 2.39877 -48.44974 1067.50867
1880.0000 -51.57928 -49.51893 2.06034 2.33268 -48.98426 1006.99991
1885.0000 -51.99230 -47.93686 4.05544 2.33790 -48.94203 1025.69741
1890.0000 -52.42613 -48.68008 3.74605 2.41980 -48.27965 1074.02436
1895.0000 -53.01709 -49.47733 3.53976 2.32885 -49.01526 1009.51849
1900.0000 -52.15737 -49.43589 2.72148 2.27207 -49.47444 977.63344
1905.0000 -52.37285 -49.75969 2.61316 2.31725 -49.10905 982.79509
1910.0000 -52.25120 -49.23802 3.01317 2.28893 -49.33809 939.05894
1915.0000 -52.25132 -49.60238 2.64894 2.24110 -49.72490 869.47099
1920.0000 -52.39732 -49.21654 3.18078 2.32573 -49.04049 995.38096
1925.0000 -51.84252 -49.58684 2.25568 2.24431 -49.69899 985.59655
1930.0000 -51.48428 -48.61433 2.86995 2.26858 -49.50267 928.25846
1935.0000 -53.19237 -49.95420 3.23816 2.35470 -48.80615 1059.03330
1940.0000 -51.24534 -47.65620 3.58914 2.39739 -48.46093 1107.16973
1945.0000 -51.28081 -48.23185 3.04897 2.41283 -48.33608 1052.73715
1950.0000 -51.48030 -48.98704 2.49326 2.44652 -48.06356 1085.99751
1955.0000 -53.00356 -50.12452 2.87904 2.32649 -49.03432 979.99508
1960.0000 -52.89359 -50.35993 2.53366 2.24661 -49.68034 893.91551
1965.0000 -52.47227 -48.77068 3.70159 2.30695 -49.19233 978.56984
1970.0000 -52.33496 -49.12346 3.21149 2.41316 -48.33334 1128.68769
1975.0000 -50.61729 -47.24627 3.37103 2.41295 -48.33507 1069.89340
1980.0000 -51.76683 -49.02953 2.73731 2.33362 -48.97666 1053.57962
1985.0000 -51.40949 -48.79421 2.61529 2.34849 -48.85643 1151.78240
1990.0000 -52.48998 -48.87868 3.61130 2.45171 -48.02163 1116.91996
1995.0000 -52.33130 -49.15803 3.17327 2.36398 -48.73113 1063.36567
2000.0000 -51.52051 -47.79204 3.72847 2.42063 -48.27293 1090.90996
FREEZING PROCESS: loop number 9 T-loop= 999.00000000000000
main_MD> interactions number 9 at Temperature= 999.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.29517 1.03433 -5.74256
force_rgl> df(natom) -0.25737 -2.33802 0.83847
2005.0000 -51.61729 -49.46144 2.15585 2.36215 -48.74594 1071.63476
2010.0000 -50.71143 -48.28720 2.42423 2.32673 -49.03235 931.57138
2015.0000 -50.47364 -47.86188 2.61176 2.45760 -47.97396 1085.99805
2020.0000 -51.60883 -49.16514 2.44369 2.39116 -48.51127 1075.51433
2025.0000 -52.63523 -49.94017 2.69506 2.25002 -49.65281 908.89901
2030.0000 -51.86685 -49.26122 2.60563 2.19229 -50.11970 836.47239
2035.0000 -51.38981 -48.92784 2.46196 2.27890 -49.41924 948.29030
2040.0000 -51.14810 -48.57593 2.57217 2.38267 -48.57995 1040.94108
2045.0000 -52.13586 -49.75113 2.38473 2.38446 -48.56547 1065.88939
2050.0000 -51.91524 -49.52795 2.38728 2.19979 -50.05902 852.41647
2055.0000 -52.14633 -49.41777 2.72856 2.31126 -49.15748 1003.16379
2060.0000 -51.62147 -49.33756 2.28391 2.28721 -49.35199 937.60664
2065.0000 -51.89824 -49.14903 2.74921 2.33783 -48.94261 976.48985
2070.0000 -52.20878 -49.64728 2.56151 2.23149 -49.80266 927.72889
2075.0000 -52.10818 -49.65871 2.44947 2.26719 -49.51393 912.18052
2080.0000 -51.69873 -48.86004 2.83869 2.31348 -49.13953 1003.22560
2085.0000 -51.82550 -48.53171 3.29379 2.36723 -48.70484 988.01266
2090.0000 -51.91916 -48.78003 3.13913 2.38442 -48.56585 1021.97607
2095.0000 -52.17594 -49.37778 2.79816 2.34781 -48.86193 998.48573
2100.0000 -52.26267 -48.99802 3.26465 2.32785 -49.02330 1039.50465
2105.0000 -51.21903 -47.84834 3.37069 2.40345 -48.41189 1086.00915
2110.0000 -51.51671 -48.42829 3.08841 2.39739 -48.46094 1030.83657
2115.0000 -51.19784 -48.58245 2.61539 2.47904 -47.80055 1118.70601
2120.0000 -51.44663 -48.97819 2.46844 2.34821 -48.85870 1016.24810
2125.0000 -51.71285 -48.25181 3.46105 2.36946 -48.68683 1017.11923
2130.0000 -51.69710 -48.38680 3.31031 2.39949 -48.44395 1081.25123
2135.0000 -51.95730 -49.47513 2.48217 2.33049 -49.00202 1032.71198
2140.0000 -52.88265 -49.53633 3.34632 2.25293 -49.62922 985.99558
2145.0000 -52.18739 -48.01785 4.16955 2.28746 -49.35001 1012.08979
2150.0000 -52.01287 -49.00092 3.01195 2.44720 -48.05809 995.75466
2155.0000 -51.67035 -48.87931 2.79104 2.36848 -48.69473 1003.14019
2160.0000 -50.49409 -47.98460 2.50949 2.39611 -48.47123 1027.73315
2165.0000 -51.84005 -48.94265 2.89740 2.42605 -48.22912 1083.33588
2170.0000 -51.47197 -48.61003 2.86194 2.33744 -48.94579 939.37150
2175.0000 -52.11216 -48.55844 3.55371 2.35024 -48.84224 992.11962
2180.0000 -52.79742 -50.02174 2.77568 2.30737 -49.18895 959.98986
2185.0000 -53.18888 -51.06436 2.12452 2.12212 -50.68722 817.25207
2190.0000 -52.64971 -49.53185 3.11785 2.16965 -50.30281 905.11887
2195.0000 -52.94983 -50.31740 2.63243 2.16294 -50.35705 864.59696
2200.0000 -52.19001 -49.19632 2.99369 2.21380 -49.94571 905.92282
2205.0000 -52.17605 -48.85237 3.32367 2.28365 -49.38082 944.23771
2210.0000 -51.32336 -48.41305 2.91031 2.32177 -49.07253 940.38931
2215.0000 -52.47285 -49.87168 2.60117 2.36735 -48.70388 942.17128
2220.0000 -52.46484 -49.72298 2.74186 2.24774 -49.67119 864.89854
2225.0000 -52.89708 -49.93986 2.95722 2.26596 -49.52387 909.02463
2230.0000 -51.82526 -48.71940 3.10585 2.31573 -49.12137 987.02389
2235.0000 -51.68116 -48.93429 2.74687 2.39140 -48.50934 1001.61575
2240.0000 -52.12908 -48.87467 3.25441 2.32354 -49.05819 949.46269
2245.0000 -52.12337 -49.76459 2.35878 2.31240 -49.14827 975.85106
2250.0000 -52.46368 -49.75404 2.70964 2.27611 -49.44176 967.37145
FREEZING PROCESS: loop number 10 T-loop= 974.00000000000000
main_MD> interactions number 10 at Temperature= 974.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.77427 0.69123 -5.11215
force_rgl> df(natom) 1.34615 3.26914 0.29910
2255.0000 -51.40315 -47.73792 3.66523 2.36356 -48.73455 1021.09456
2260.0000 -52.03660 -49.17024 2.86636 2.38567 -48.55570 971.32593
2265.0000 -52.06783 -49.70522 2.36261 2.29432 -49.29448 910.36908
2270.0000 -52.18127 -49.22759 2.95368 2.30017 -49.24720 966.42843
2275.0000 -51.29145 -49.67181 1.61964 2.20929 -49.98217 860.47048
2280.0000 -52.88075 -50.37601 2.50474 2.24746 -49.67349 854.00243
2285.0000 -52.54844 -50.60894 1.93949 2.20120 -50.04761 902.53363
2290.0000 -52.38675 -49.76124 2.62551 2.22675 -49.84101 861.43660
2295.0000 -52.36126 -49.85683 2.50442 2.21276 -49.95412 919.73980
2300.0000 -52.23790 -49.81485 2.42305 2.22143 -49.88401 905.43506
2305.0000 -52.78795 -49.64722 3.14074 2.23847 -49.74617 904.64749
2310.0000 -52.24248 -48.92844 3.31403 2.27311 -49.46600 958.17000
2315.0000 -51.09136 -47.59710 3.49426 2.41388 -48.32757 1111.04817
2320.0000 -51.95091 -48.40905 3.54186 2.54134 -47.29672 1097.03503
2325.0000 -50.99119 -47.97405 3.01714 2.46251 -47.93422 1170.63819
2330.0000 -50.72865 -48.48745 2.24120 2.35180 -48.82965 979.71289
2335.0000 -52.65292 -49.86092 2.79200 2.38052 -48.59738 1046.79496
2340.0000 -52.02980 -49.87253 2.15727 2.17373 -50.26977 859.70818
2345.0000 -52.52926 -49.60712 2.92213 2.23727 -49.75591 881.57100
2350.0000 -51.45135 -49.10279 2.34857 2.27201 -49.47495 983.56948
2355.0000 -51.33628 -48.59646 2.73983 2.33478 -48.96727 937.44275
2360.0000 -52.15606 -49.05832 3.09774 2.36048 -48.75941 1008.77378
2365.0000 -51.57430 -48.86538 2.70892 2.36404 -48.73067 1032.83300
2370.0000 -51.88010 -48.06220 3.81790 2.37380 -48.65174 1036.52102
2375.0000 -52.50036 -50.42430 2.07605 2.29053 -49.32516 992.39150
2380.0000 -53.33571 -50.41234 2.92337 2.19039 -50.13505 856.10378
2385.0000 -53.19474 -50.36481 2.82993 2.13689 -50.56775 814.71669
2390.0000 -52.56555 -49.82147 2.74407 2.20858 -49.98795 899.63962
2395.0000 -52.47223 -49.82936 2.64287 2.26778 -49.50912 923.59628
2400.0000 -52.56129 -49.80634 2.75496 2.21104 -49.96804 909.18650
2405.0000 -51.70165 -49.04412 2.65752 2.26723 -49.51359 912.95221
2410.0000 -52.48502 -49.22108 3.26394 2.33940 -48.92990 1011.02846
2415.0000 -52.25409 -49.33589 2.91820 2.32108 -49.07808 970.70974
2420.0000 -52.47415 -49.85078 2.62337 2.24163 -49.72061 881.84652
2425.0000 -52.33058 -49.62756 2.70302 2.17191 -50.28454 852.00441
2430.0000 -52.71359 -48.97212 3.74147 2.28736 -49.35083 1005.62067
2435.0000 -52.75644 -50.07148 2.68496 2.24420 -49.69983 904.31963
2440.0000 -52.00299 -48.69875 3.30424 2.31101 -49.15951 1009.63516
2445.0000 -51.49378 -49.23353 2.26025 2.26337 -49.54484 925.91277
2450.0000 -53.07781 -49.98142 3.09639 2.29400 -49.29711 931.63196
2455.0000 -52.77507 -49.04291 3.73216 2.26286 -49.54896 901.16932
2460.0000 -51.90329 -49.42676 2.47653 2.32783 -49.02346 1015.68501
2465.0000 -51.14041 -48.16835 2.97205 2.36472 -48.72512 1033.30424
2470.0000 -51.33358 -47.25557 4.07801 2.51676 -47.49549 1199.76240
2475.0000 -51.93692 -49.12098 2.81594 2.45283 -48.01253 1200.37934
2480.0000 -52.01729 -49.20352 2.81376 2.33023 -49.00408 941.00878
2485.0000 -51.19232 -47.91340 3.27892 2.36382 -48.73239 1043.22842
2490.0000 -52.44602 -49.29928 3.14673 2.38407 -48.56867 1106.13109
2495.0000 -52.00668 -49.55771 2.44897 2.26155 -49.55952 954.01977
2500.0000 -52.21718 -49.28738 2.92980 2.29427 -49.29495 930.00548
FREEZING PROCESS: loop number 11 T-loop= 949.00000000000000
main_MD> interactions number 11 at Temperature= 949.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.17796 3.37823 0.52374
force_rgl> df(natom) -0.71845 -2.01267 2.40830
2505.0000 -51.61973 -49.28066 2.33907 2.32561 -49.04143 963.93475
2510.0000 -52.82413 -49.78624 3.03789 2.21226 -49.95819 889.29671
2515.0000 -51.61966 -47.37295 4.24671 2.39603 -48.47195 1066.81279
2520.0000 -49.96048 -46.91990 3.04057 2.53557 -47.34340 1195.76323
2525.0000 -52.30540 -50.10948 2.19592 2.36494 -48.72333 892.85280
2530.0000 -51.70519 -49.22985 2.47533 2.29545 -49.28535 935.28244
2535.0000 -53.30462 -50.64194 2.66268 2.17883 -50.22856 901.85100
2540.0000 -52.29664 -49.57240 2.72424 2.22866 -49.82557 985.48221
2545.0000 -52.14229 -49.41911 2.72318 2.27232 -49.47245 947.50776
2550.0000 -53.01726 -50.35858 2.65869 2.15118 -50.45215 848.50281
2555.0000 -52.65083 -49.94450 2.70633 2.19509 -50.09703 866.48749
2560.0000 -52.15035 -49.06812 3.08223 2.28664 -49.35663 980.10011
2565.0000 -52.09438 -49.55478 2.53960 2.33539 -48.96233 1040.05914
2570.0000 -53.56580 -50.49052 3.07528 2.22096 -49.88784 929.58246
2575.0000 -52.97068 -50.16852 2.80216 2.16673 -50.32636 902.02660
2580.0000 -52.51542 -49.87662 2.63880 2.21481 -49.93752 913.07469
2585.0000 -51.54138 -48.16821 3.37317 2.31555 -49.12277 1006.84845
2590.0000 -51.53845 -47.68699 3.85147 2.39770 -48.45845 1076.89516
2595.0000 -52.13582 -49.00193 3.13389 2.40072 -48.43399 1093.77566
2600.0000 -52.74669 -50.34845 2.39824 2.26097 -49.56420 909.31166
2605.0000 -52.00633 -49.34663 2.65971 2.18582 -50.17197 863.86683
2610.0000 -51.47966 -49.67670 1.80296 2.23826 -49.74792 935.86512
2615.0000 -52.77113 -49.37774 3.39339 2.26338 -49.54474 932.98894
2620.0000 -52.37110 -49.88385 2.48725 2.23365 -49.78516 922.59329
2625.0000 -52.74734 -50.16675 2.58059 2.21813 -49.91074 890.59067
2630.0000 -51.80134 -49.29474 2.50659 2.23739 -49.75490 911.29316
2635.0000 -51.31762 -48.18818 3.12944 2.32414 -49.05330 944.15356
2640.0000 -49.95429 -47.15372 2.80057 2.49128 -47.70158 1113.64614
2645.0000 -52.05031 -48.21687 3.83344 2.52359 -47.44027 1127.31500
2650.0000 -52.52179 -49.71992 2.80187 2.32011 -49.08596 971.57084
2655.0000 -52.81982 -49.83330 2.98652 2.27341 -49.46364 944.90076
2660.0000 -51.85106 -49.40870 2.44236 2.21125 -49.96636 890.38071
2665.0000 -52.80469 -49.32081 3.48388 2.31985 -49.08803 957.03607
2670.0000 -51.75798 -49.47889 2.27909 2.30343 -49.22079 996.62398
2675.0000 -52.40347 -49.94207 2.46140 2.22644 -49.84350 867.75194
2680.0000 -53.07940 -49.76404 3.31536 2.20520 -50.01527 882.63404
2685.0000 -51.90646 -49.19600 2.71046 2.20025 -50.05530 891.82055
2690.0000 -53.40394 -50.26688 3.13706 2.25840 -49.58503 892.37195
2695.0000 -51.76739 -48.82620 2.94120 2.19824 -50.07159 824.88849
2700.0000 -52.50333 -49.36061 3.14272 2.29253 -49.30902 977.45882
2705.0000 -52.81821 -49.87576 2.94244 2.23111 -49.80571 942.56193
2710.0000 -52.86663 -50.27513 2.59150 2.18257 -50.19830 844.25234
2715.0000 -52.25740 -49.53988 2.71751 2.26297 -49.54801 917.30992
2720.0000 -51.80648 -48.24253 3.56395 2.36322 -48.73727 1036.49794
2725.0000 -52.26010 -49.43132 2.82878 2.30601 -49.19995 1005.70269
2730.0000 -51.81848 -49.74274 2.07573 2.19926 -50.06331 880.75620
2735.0000 -51.94223 -48.59683 3.34540 2.31700 -49.11109 954.59442
2740.0000 -51.15839 -49.19869 1.95970 2.33608 -48.95673 999.72517
2745.0000 -52.09534 -49.25986 2.83548 2.29932 -49.25409 996.31894
2750.0000 -53.33064 -50.94363 2.38701 2.18229 -50.20053 862.91406
FREEZING PROCESS: loop number 12 T-loop= 924.00000000000000
main_MD> interactions number 12 at Temperature= 924.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.96942 1.51239 1.77956
force_rgl> df(natom) 0.87140 0.34559 1.59399
2755.0000 -53.72101 -51.28780 2.43321 2.11784 -50.72179 835.23237
2760.0000 -51.44786 -48.56790 2.87996 2.23830 -49.74754 892.59796
2765.0000 -51.80717 -49.40811 2.39906 2.31334 -49.14067 901.23461
2770.0000 -52.15110 -48.34992 3.80118 2.34677 -48.87032 1006.96273
2775.0000 -52.13539 -48.66378 3.47161 2.40620 -48.38969 1091.51355
2780.0000 -52.36874 -48.99443 3.37432 2.35590 -48.79646 1005.29610
2785.0000 -51.42618 -49.02913 2.39705 2.31589 -49.12007 910.79766
2790.0000 -52.17811 -49.73817 2.43994 2.26838 -49.50428 979.86262
2795.0000 -52.27853 -50.18527 2.09326 2.16271 -50.35890 823.51015
2800.0000 -51.83317 -48.76462 3.06855 2.23297 -49.79071 936.88158
2805.0000 -52.59485 -49.51658 3.07827 2.34197 -48.90911 1065.77672
2810.0000 -52.61211 -49.74734 2.86477 2.26143 -49.56048 933.14984
2815.0000 -51.62161 -49.08600 2.53561 2.28728 -49.35146 942.79960
2820.0000 -51.51989 -49.03470 2.48519 2.32826 -49.02001 932.96073
2825.0000 -52.75958 -49.90320 2.85639 2.30515 -49.20691 920.73911
2830.0000 -52.78756 -50.49247 2.29509 2.21164 -49.96320 864.23157
2835.0000 -52.28553 -50.15397 2.13156 2.17774 -50.23734 883.38644
2840.0000 -52.51051 -49.91540 2.59511 2.21736 -49.91695 867.76469
2845.0000 -53.30100 -51.04094 2.26007 2.09146 -50.93517 792.33724
2850.0000 -53.43995 -50.68277 2.75717 2.09800 -50.88228 755.95521
2855.0000 -52.91603 -50.77741 2.13862 2.12746 -50.64400 814.38062
2860.0000 -52.94616 -50.50627 2.43989 2.08181 -51.01321 770.54285
2865.0000 -52.62958 -50.12286 2.50672 2.19842 -50.07011 891.75105
2870.0000 -52.51755 -50.04923 2.46832 2.15901 -50.38882 822.02711
2875.0000 -53.28691 -50.57062 2.71630 2.21829 -49.90941 822.55116
2880.0000 -52.46881 -49.99178 2.47703 2.14780 -50.47949 850.89527
2885.0000 -53.60200 -51.49773 2.10428 2.12249 -50.68422 823.69566
2890.0000 -53.93610 -51.22773 2.70838 2.06480 -51.15080 791.56764
2895.0000 -53.59176 -50.76660 2.82516 2.08687 -50.97230 832.87887
2900.0000 -52.58268 -50.01846 2.56422 2.16052 -50.37666 887.93226
2905.0000 -52.36050 -49.18627 3.17423 2.26929 -49.49698 1027.15757
2910.0000 -52.84935 -49.74986 3.09948 2.26953 -49.49502 948.01768
2915.0000 -52.59345 -49.65016 2.94329 2.24277 -49.71145 954.60211
2920.0000 -52.31997 -49.85582 2.46415 2.20392 -50.02566 958.78289
2925.0000 -52.35093 -49.67117 2.67976 2.21901 -49.90356 915.46648
2930.0000 -52.64371 -50.73530 1.90841 2.18678 -50.16427 919.20059
2935.0000 -53.23288 -49.98289 3.24999 2.17142 -50.28844 816.35474
2940.0000 -51.82328 -49.87178 1.95150 2.18505 -50.17827 865.40399
2945.0000 -52.76904 -49.63328 3.13576 2.24764 -49.67202 897.43732
2950.0000 -52.73608 -50.08747 2.64861 2.17757 -50.23869 828.58499
2955.0000 -52.75869 -50.17354 2.58515 2.11692 -50.72925 814.62089
2960.0000 -52.41608 -50.08118 2.33490 2.18090 -50.21182 814.22178
2965.0000 -51.17841 -49.12844 2.04998 2.25958 -49.57547 952.88956
2970.0000 -51.61127 -48.92153 2.68974 2.34961 -48.84736 1011.39566
2975.0000 -51.99094 -48.42788 3.56306 2.32787 -49.02315 1015.62571
2980.0000 -51.22172 -48.64749 2.57423 2.39882 -48.44934 1004.02445
2985.0000 -52.37671 -49.29701 3.07970 2.39154 -48.50820 1035.06231
2990.0000 -51.89628 -48.96880 2.92748 2.36078 -48.75702 1043.15484
2995.0000 -52.00894 -49.21912 2.78982 2.30955 -49.17130 963.80372
3000.0000 -52.54723 -49.08542 3.46181 2.32076 -49.08065 965.32090
FREEZING PROCESS: loop number 13 T-loop= 899.00000000000000
main_MD> interactions number 13 at Temperature= 899.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43436 0.06930 -1.33676
force_rgl> df(natom) -0.10458 -0.63374 1.90801
3005.0000 -52.56018 -49.99006 2.57012 2.24409 -49.70077 873.53543
3010.0000 -52.89193 -50.09681 2.79512 2.26657 -49.51891 910.27489
3015.0000 -52.38927 -49.53787 2.85141 2.26856 -49.50285 962.20673
3020.0000 -52.45627 -50.02374 2.43253 2.22963 -49.81766 927.37171
3025.0000 -52.41071 -49.93863 2.47209 2.18092 -50.21162 857.11113
3030.0000 -52.72664 -49.03749 3.68915 2.24494 -49.69385 962.34862
3035.0000 -51.90900 -49.71058 2.19842 2.29364 -49.30001 972.72395
3040.0000 -52.44292 -49.11223 3.33069 2.29012 -49.32845 963.47160
3045.0000 -52.17739 -49.93112 2.24627 2.26966 -49.49392 991.67770
3050.0000 -52.74075 -50.53376 2.20699 2.18451 -50.18260 906.09389
3055.0000 -53.34425 -50.33627 3.00798 2.11555 -50.74029 815.28294
3060.0000 -52.23925 -49.61840 2.62085 2.17795 -50.23567 919.43080
3065.0000 -52.69068 -49.84601 2.84468 2.25752 -49.59213 1004.87058
3070.0000 -52.56648 -49.92439 2.64209 2.23875 -49.74392 923.82238
3075.0000 -53.48689 -50.82690 2.65999 2.17820 -50.23367 831.83004
3080.0000 -52.48341 -50.04789 2.43553 2.13021 -50.62179 849.75825
3085.0000 -52.57193 -49.77399 2.79793 2.21560 -49.93117 843.70599
3090.0000 -52.83654 -50.23349 2.60305 2.22129 -49.88512 865.95038
3095.0000 -52.83017 -50.43318 2.39700 2.17077 -50.29370 879.64509
3100.0000 -52.72965 -50.14117 2.58848 2.16975 -50.30196 936.44256
3105.0000 -52.28911 -49.78947 2.49963 2.24700 -49.67721 876.01724
3110.0000 -52.03486 -49.28437 2.75049 2.23618 -49.76468 915.87921
3115.0000 -51.65830 -48.48605 3.17226 2.34454 -48.88836 1020.44167
3120.0000 -51.84987 -49.89204 1.95783 2.24981 -49.65448 951.70197
3125.0000 -52.15554 -49.43093 2.72460 2.29166 -49.31600 934.37100
3130.0000 -51.78065 -49.03198 2.74868 2.28988 -49.33045 930.61567
3135.0000 -53.22268 -50.94808 2.27460 2.18076 -50.21292 876.96133
3140.0000 -53.59000 -50.29562 3.29438 2.14966 -50.46448 837.23550
3145.0000 -52.63585 -48.59204 4.04382 2.27189 -49.47589 921.47542
3150.0000 -52.20151 -49.71839 2.48312 2.27286 -49.46808 955.32778
3155.0000 -53.01003 -50.08465 2.92538 2.25862 -49.58324 888.40522
3160.0000 -52.83252 -50.91402 1.91850 2.15402 -50.42916 798.18856
3165.0000 -52.95998 -50.29668 2.66330 2.14562 -50.49713 776.34937
3170.0000 -53.25996 -50.74502 2.51493 2.13776 -50.56066 806.47790
3175.0000 -52.97752 -50.80664 2.17088 2.09367 -50.91726 780.50266
3180.0000 -53.05135 -50.22361 2.82774 2.08855 -50.95870 800.57929
3185.0000 -52.45338 -50.00292 2.45046 2.17840 -50.23199 825.83506
3190.0000 -52.56588 -49.99178 2.57410 2.22969 -49.81724 961.45207
3195.0000 -52.83422 -50.39430 2.43993 2.17071 -50.29423 871.37768
3200.0000 -53.00172 -50.25954 2.74218 2.12319 -50.67857 786.02290
3205.0000 -52.68826 -49.82983 2.85843 2.23370 -49.78479 893.30925
3210.0000 -53.08619 -50.84305 2.24314 2.18969 -50.14071 893.29584
3215.0000 -52.57216 -49.53757 3.03459 2.21172 -49.96250 888.61626
3220.0000 -52.57531 -50.05325 2.52206 2.22206 -49.87890 862.67450
3225.0000 -52.50498 -50.21289 2.29210 2.19612 -50.08869 814.72166
3230.0000 -53.07672 -50.85671 2.22001 2.11721 -50.72692 820.51518
3235.0000 -52.38742 -49.36841 3.01901 2.16056 -50.37627 819.99011
3240.0000 -53.31292 -50.36033 2.95259 2.16751 -50.32011 872.13782
3245.0000 -52.86234 -50.53241 2.32994 2.12839 -50.63646 849.73667
3250.0000 -53.46720 -50.65788 2.80933 2.15712 -50.40414 875.62794
FREEZING PROCESS: loop number 14 T-loop= 874.00000000000000
main_MD> interactions number 14 at Temperature= 874.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48547 0.73620 1.94137
force_rgl> df(natom) 1.17557 -0.93194 -3.55107
3255.0000 -51.77750 -49.76692 2.01058 2.20815 -49.99139 885.64804
3260.0000 -52.77875 -49.91997 2.85878 2.21371 -49.94647 918.50895
3265.0000 -53.15201 -50.82978 2.32223 2.16620 -50.33072 849.60944
3270.0000 -52.27642 -49.57909 2.69734 2.17463 -50.26247 860.17498
3275.0000 -52.34064 -49.06720 3.27345 2.29957 -49.25203 1014.43418
3280.0000 -52.42468 -49.57541 2.84927 2.25090 -49.64569 953.16783
3285.0000 -52.61426 -48.94858 3.66568 2.31215 -49.15029 952.45769
3290.0000 -52.55678 -49.90184 2.65494 2.26229 -49.55357 993.12804
3295.0000 -52.76081 -50.87398 1.88683 2.16525 -50.33834 861.60433
3300.0000 -53.79780 -52.05871 1.73908 2.04143 -51.33981 741.52269
3305.0000 -53.80012 -51.68466 2.11545 1.96399 -51.96611 655.13513
3310.0000 -52.67789 -51.04689 1.63100 2.05922 -51.19592 759.18330
3315.0000 -52.90502 -50.51809 2.38694 2.12988 -50.62447 809.17419
3320.0000 -52.44424 -50.36741 2.07683 2.16370 -50.35088 817.42601
3325.0000 -52.89763 -49.85169 3.04594 2.19799 -50.07355 827.08450
3330.0000 -52.13169 -49.12649 3.00520 2.28979 -49.33112 963.29081
3335.0000 -53.04677 -50.19868 2.84809 2.24068 -49.72836 971.27745
3340.0000 -51.49248 -49.40065 2.09183 2.21216 -49.95898 860.12029
3345.0000 -52.60049 -50.41219 2.18830 2.25237 -49.63376 918.85691
3350.0000 -53.56734 -51.06606 2.50128 2.12874 -50.63363 822.04024
3355.0000 -53.04462 -50.95918 2.08544 2.11190 -50.76983 791.17092
3360.0000 -52.02384 -50.52474 1.49911 2.14853 -50.47360 738.83745
3365.0000 -51.92816 -49.51767 2.41049 2.21685 -49.92108 836.22541
3370.0000 -52.77397 -50.06711 2.70686 2.20916 -49.98325 871.81587
3375.0000 -52.53176 -50.09856 2.43320 2.21473 -49.93817 886.03200
3380.0000 -53.31115 -51.35710 1.95405 2.08580 -50.98096 770.07095
3385.0000 -52.84707 -50.93353 1.91354 2.03815 -51.36633 741.58011
3390.0000 -53.41610 -50.98763 2.42846 2.09695 -50.89074 750.61585
3395.0000 -54.00388 -51.84478 2.15910 2.04007 -51.35078 702.49160
3400.0000 -53.39266 -51.43708 1.95557 2.06152 -51.17730 766.64558
3405.0000 -53.39959 -51.35953 2.04006 2.01237 -51.57482 750.68870
3410.0000 -52.46266 -50.31186 2.15079 2.04030 -51.34895 762.49302
3415.0000 -53.19320 -50.73093 2.46227 2.08473 -50.98955 764.45119
3420.0000 -53.32602 -51.03887 2.28715 2.07894 -51.03644 745.99634
3425.0000 -52.64750 -50.38308 2.26442 2.16805 -50.31571 851.17894
3430.0000 -53.15756 -50.47182 2.68574 2.14328 -50.51607 769.02748
3435.0000 -52.92058 -49.99848 2.92209 2.16952 -50.30383 790.83582
3440.0000 -52.87833 -50.09157 2.78675 2.23479 -49.77594 875.92664
3445.0000 -53.05011 -49.74346 3.30664 2.17815 -50.23406 860.77781
3450.0000 -52.91687 -50.25899 2.65788 2.13591 -50.57567 878.16970
3455.0000 -52.57103 -49.82219 2.74884 2.16954 -50.30365 868.64922
3460.0000 -53.65223 -51.50791 2.14432 2.13757 -50.56226 787.81794
3465.0000 -53.00006 -50.90427 2.09578 2.06469 -51.15163 743.09274
3470.0000 -53.06350 -51.76419 1.29930 2.08923 -50.95322 774.92938
3475.0000 -51.54572 -49.59425 1.95148 2.12807 -50.63908 768.00418
3480.0000 -52.95511 -50.34760 2.60751 2.23705 -49.75767 957.09629
3485.0000 -53.27660 -50.55296 2.72364 2.06701 -51.13289 740.93925
3490.0000 -53.15310 -51.19844 1.95466 2.14816 -50.47661 869.94003
3495.0000 -53.25540 -50.76983 2.48557 2.09154 -50.93447 808.03946
3500.0000 -52.64254 -49.93071 2.71183 2.14957 -50.46519 874.24043
FREEZING PROCESS: loop number 15 T-loop= 849.00000000000000
main_MD> interactions number 15 at Temperature= 849.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.97115 -0.17161 0.46669
force_rgl> df(natom) 3.22618 1.49732 1.09108
3505.0000 -52.31387 -50.55906 1.75481 2.19325 -50.11193 843.96813
3510.0000 -52.54321 -50.46931 2.07391 2.16413 -50.34739 833.35176
3515.0000 -53.31665 -50.87205 2.44460 2.13835 -50.55593 777.28954
3520.0000 -53.14562 -50.28065 2.86498 2.15940 -50.38570 855.56345
3525.0000 -52.54907 -49.33685 3.21223 2.20507 -50.01628 903.86067
3530.0000 -51.28956 -48.42248 2.86707 2.35957 -48.76678 1005.28846
3535.0000 -52.20764 -49.49036 2.71728 2.36302 -48.73888 991.07104
3540.0000 -52.55349 -49.72423 2.82926 2.20848 -49.98872 914.71263
3545.0000 -52.24936 -49.72812 2.52124 2.31070 -49.16207 1003.00870
3550.0000 -53.25560 -50.72900 2.52660 2.19093 -50.13069 835.61829
3555.0000 -51.86034 -49.77610 2.08423 2.18179 -50.20460 872.78357
3560.0000 -53.10168 -49.36672 3.73496 2.32168 -49.07320 1020.52352
3565.0000 -53.03260 -50.36629 2.66631 2.22695 -49.83935 875.80195
3570.0000 -52.39373 -50.13030 2.26343 2.16958 -50.30333 857.17712
3575.0000 -52.80461 -50.64533 2.15928 2.13596 -50.57523 793.81829
3580.0000 -52.23436 -50.66267 1.57170 2.11401 -50.75280 811.19519
3585.0000 -52.86221 -50.70411 2.15810 2.15247 -50.44175 831.55192
3590.0000 -53.77208 -51.11769 2.65439 2.18779 -50.15605 841.48582
3595.0000 -53.29521 -50.80572 2.48949 2.09803 -50.88199 770.97930
3600.0000 -53.45654 -50.80762 2.64892 2.14793 -50.47846 819.68779
3605.0000 -53.87853 -51.08623 2.79230 2.08007 -51.02723 746.52645
3610.0000 -53.05127 -50.40902 2.64225 2.09513 -50.90545 785.00338
3615.0000 -53.05865 -50.89598 2.16267 2.16316 -50.35526 786.21579
3620.0000 -52.75661 -50.69670 2.05991 2.10374 -50.83584 777.85708
3625.0000 -52.55231 -50.57652 1.97580 2.15608 -50.41249 820.63035
3630.0000 -52.11682 -50.02057 2.09625 2.18236 -50.19996 826.82750
3635.0000 -52.21839 -49.41301 2.80538 2.30339 -49.22116 948.51168
3640.0000 -52.68887 -50.17573 2.51314 2.18029 -50.21674 835.96601
3645.0000 -52.54057 -49.74024 2.80033 2.19310 -50.11315 808.27851
3650.0000 -53.25822 -50.08081 3.17741 2.20782 -49.99405 863.88834
3655.0000 -53.30025 -50.35543 2.94481 2.14717 -50.48456 825.11171
3660.0000 -52.91467 -49.95326 2.96141 2.13398 -50.59128 844.79237
3665.0000 -53.45797 -50.94940 2.50858 2.16260 -50.35979 833.92116
3670.0000 -52.86658 -50.51827 2.34831 2.11923 -50.71054 817.39045
3675.0000 -52.84998 -50.65163 2.19835 2.11349 -50.75697 765.20134
3680.0000 -52.15930 -48.99219 3.16711 2.15128 -50.45137 812.72873
3685.0000 -52.26963 -49.27786 2.99177 2.28194 -49.39460 968.39454
3690.0000 -52.23289 -49.83086 2.40203 2.27073 -49.48530 939.32044
3695.0000 -52.46237 -49.47910 2.98327 2.27193 -49.47559 918.51608
3700.0000 -52.07375 -49.43895 2.63480 2.28943 -49.33401 1010.76544
3705.0000 -52.78658 -50.48624 2.30033 2.23486 -49.77543 866.43894
3710.0000 -52.98508 -50.63347 2.35161 2.11858 -50.71579 741.45869
3715.0000 -53.66134 -51.57871 2.08263 2.04957 -51.27393 720.20051
3720.0000 -51.81632 -50.14751 1.66882 2.15732 -50.40252 777.66300
3725.0000 -53.14300 -51.24894 1.89406 2.13919 -50.54916 773.25227
3730.0000 -53.45593 -50.89014 2.56579 2.06867 -51.11947 759.72805
3735.0000 -52.48053 -50.20638 2.27415 2.15231 -50.44303 842.23591
3740.0000 -53.10777 -49.82760 3.28016 2.27018 -49.48974 947.26434
3745.0000 -52.85866 -50.20744 2.65122 2.19587 -50.09075 854.80072
3750.0000 -52.21016 -50.21303 1.99713 2.14259 -50.52162 829.62374
FREEZING PROCESS: loop number 16 T-loop= 824.00000000000000
main_MD> interactions number 16 at Temperature= 824.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05595 3.56044 -2.17511
force_rgl> df(natom) 2.41863 1.54501 -0.40206
3755.0000 -53.40723 -50.39385 3.01338 2.14316 -50.51704 805.10864
3760.0000 -52.61077 -49.59273 3.01804 2.26308 -49.54713 956.40556
3765.0000 -53.06910 -50.67252 2.39658 2.16593 -50.33284 859.52769
3770.0000 -53.79858 -51.07238 2.72620 2.14061 -50.53761 820.44525
3775.0000 -53.80263 -51.94152 1.86111 2.03924 -51.35748 738.89348
3780.0000 -54.14450 -52.20128 1.94322 1.94630 -52.10911 630.87901
3785.0000 -53.46974 -51.24433 2.22541 2.03961 -51.35451 683.97945
3790.0000 -53.06816 -50.09793 2.97023 2.08889 -50.95597 758.60766
3795.0000 -53.20106 -50.92951 2.27155 2.15229 -50.44316 827.68930
3800.0000 -53.56574 -50.87296 2.69279 2.06354 -51.16094 763.25340
3805.0000 -52.94848 -50.24634 2.70214 2.14837 -50.47485 826.14559
3810.0000 -53.37063 -50.47521 2.89542 2.19587 -50.09073 867.40454
3815.0000 -52.82944 -50.75655 2.07288 2.16507 -50.33983 863.59463
3820.0000 -52.48428 -49.75266 2.73162 2.20495 -50.01733 882.81508
3825.0000 -51.61380 -48.71944 2.89436 2.29693 -49.27340 932.93624
3830.0000 -52.24662 -49.69223 2.55439 2.24989 -49.65382 947.37201
3835.0000 -53.01705 -50.33974 2.67731 2.18554 -50.17430 891.20030
3840.0000 -53.15751 -50.53467 2.62284 2.10287 -50.84284 789.96906
3845.0000 -53.86700 -51.69121 2.17579 2.05120 -51.26075 753.74332
3850.0000 -53.90013 -51.37251 2.52761 2.03222 -51.41425 731.40522
3855.0000 -53.72145 -52.23464 1.48681 1.97447 -51.88134 660.29188
3860.0000 -53.51670 -50.60975 2.90695 2.00983 -51.59537 700.95871
3865.0000 -53.36266 -51.34428 2.01837 2.07768 -51.04661 786.76358
3870.0000 -52.96558 -51.05324 1.91233 2.06830 -51.12246 738.78140
3875.0000 -52.74368 -50.15476 2.58892 2.17133 -50.28918 871.49157
3880.0000 -52.69653 -49.62881 3.06772 2.17932 -50.22459 869.31461
3885.0000 -53.18897 -51.09471 2.09426 2.15244 -50.44199 850.49491
3890.0000 -52.92734 -50.58110 2.34624 2.16307 -50.35597 851.14241
3895.0000 -53.19193 -50.81652 2.37541 2.14553 -50.49782 774.22518
3900.0000 -52.55234 -50.17398 2.37836 2.12206 -50.68764 761.76789
3905.0000 -52.95264 -50.64395 2.30868 2.16508 -50.33976 808.31708
3910.0000 -52.40341 -50.26677 2.13664 2.15600 -50.41316 828.08790
3915.0000 -52.90721 -50.41161 2.49561 2.17095 -50.29228 811.50755
3920.0000 -52.78432 -51.02059 1.76373 2.11558 -50.74010 723.78602
3925.0000 -52.57035 -50.03433 2.53602 2.15328 -50.43515 759.87464
3930.0000 -52.56119 -50.50236 2.05883 2.22925 -49.82073 957.73786
3935.0000 -52.87530 -50.39815 2.47715 2.13716 -50.56558 798.41934
3940.0000 -52.73614 -49.87439 2.86174 2.21198 -49.96041 900.53076
3945.0000 -51.97133 -49.68521 2.28611 2.28407 -49.37744 981.07099
3950.0000 -52.60458 -50.46985 2.13473 2.20422 -50.02323 923.43328
3955.0000 -53.18854 -51.47554 1.71299 2.05921 -51.19595 732.51657
3960.0000 -52.99317 -50.32912 2.66405 2.14245 -50.52274 773.84094
3965.0000 -52.88932 -50.83197 2.05735 2.19301 -50.11384 871.50909
3970.0000 -53.48247 -51.74077 1.74170 2.02423 -51.47887 723.88316
3975.0000 -54.29422 -52.57424 1.71998 1.93182 -52.22629 646.10778
3980.0000 -53.93324 -51.66954 2.26370 1.99449 -51.71936 723.26998
3985.0000 -53.58524 -51.17498 2.41026 1.97047 -51.91365 679.77843
3990.0000 -52.39149 -50.25960 2.13189 2.15653 -50.40888 789.31325
3995.0000 -53.67056 -51.03000 2.64056 2.15098 -50.45374 773.65192
4000.0000 -52.87322 -50.54675 2.32646 2.12570 -50.65827 834.43860
FREEZING PROCESS: loop number 17 T-loop= 799.00000000000000
main_MD> interactions number 17 at Temperature= 799.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41172 -2.61126 0.83835
force_rgl> df(natom) -5.51322 -3.17203 -1.02250
4005.0000 -52.90113 -50.56678 2.33434 2.10008 -50.86546 776.35481
4010.0000 -52.47671 -50.11319 2.36352 2.21860 -49.90692 914.91923
4015.0000 -53.15054 -50.63187 2.51867 2.15846 -50.39331 869.21505
4020.0000 -51.81866 -50.26779 1.55087 2.14788 -50.47883 795.84889
4025.0000 -53.48476 -50.65967 2.82510 2.12053 -50.70002 808.96711
4030.0000 -52.65862 -49.96637 2.69225 2.12116 -50.69498 815.10762
4035.0000 -52.53120 -49.12809 3.40312 2.26514 -49.53053 962.46531
4040.0000 -51.98166 -49.65561 2.32605 2.25181 -49.63834 918.04052
4045.0000 -52.38330 -49.22563 3.15767 2.27170 -49.47747 985.84858
4050.0000 -51.65223 -49.20244 2.44979 2.36142 -48.75182 1076.70568
4055.0000 -52.88285 -50.50132 2.38153 2.26629 -49.52123 955.69931
4060.0000 -53.77947 -51.29093 2.48854 2.11961 -50.70749 863.11395
4065.0000 -53.16117 -50.61135 2.54982 2.09904 -50.87384 764.59060
4070.0000 -52.71468 -50.05619 2.65850 2.16135 -50.36993 770.21123
4075.0000 -51.22504 -49.04982 2.17522 2.18223 -50.20103 840.90689
4080.0000 -53.05885 -50.30719 2.75166 2.18049 -50.21509 824.30357
4085.0000 -52.85288 -50.34603 2.50685 2.16712 -50.32326 878.69599
4090.0000 -52.80400 -50.31167 2.49233 2.15686 -50.40622 852.76889
4095.0000 -52.50930 -49.99579 2.51352 2.18888 -50.14727 910.21747
4100.0000 -52.36049 -49.76509 2.59540 2.21667 -49.92247 847.86879
4105.0000 -53.01206 -50.49058 2.52148 2.18684 -50.16374 811.10914
4110.0000 -53.08817 -50.31604 2.77214 2.18458 -50.18207 848.76852
4115.0000 -52.22702 -49.99609 2.23093 2.18739 -50.15933 884.49028
4120.0000 -52.64467 -50.06486 2.57981 2.24489 -49.69425 867.40510
4125.0000 -52.48352 -49.78944 2.69408 2.20806 -49.99214 860.97576
4130.0000 -53.03213 -51.12294 1.90918 2.09754 -50.88600 776.25289
4135.0000 -52.88103 -50.18828 2.69274 2.14049 -50.53861 835.62076
4140.0000 -53.22606 -50.62055 2.60551 2.17897 -50.22738 840.12626
4145.0000 -53.12542 -50.22405 2.90137 2.17098 -50.29203 856.26167
4150.0000 -53.58680 -51.22454 2.36226 2.13819 -50.55725 723.03653
4155.0000 -54.02552 -51.46500 2.56052 2.05855 -51.20133 746.11572
4160.0000 -52.29431 -50.14411 2.15020 2.11326 -50.75883 792.76806
4165.0000 -52.30249 -49.63400 2.66849 2.23761 -49.75319 889.05148
4170.0000 -52.91999 -50.19050 2.72948 2.24881 -49.66256 864.55286
4175.0000 -53.16973 -50.87160 2.29813 2.13921 -50.54897 811.98438
4180.0000 -53.56676 -51.02314 2.54362 2.10726 -50.80736 840.82990
4185.0000 -53.70066 -51.17987 2.52079 2.10013 -50.86503 764.00732
4190.0000 -53.19520 -50.87524 2.31996 2.09459 -50.90987 786.46527
4195.0000 -53.31893 -51.01175 2.30718 2.04236 -51.33224 771.94074
4200.0000 -53.53792 -50.91318 2.62474 2.08037 -51.02485 803.43350
4205.0000 -53.85895 -51.16008 2.69886 2.11384 -50.75413 858.49231
4210.0000 -54.21195 -51.63783 2.57413 2.03103 -51.42386 750.44294
4215.0000 -53.40002 -51.38213 2.01790 2.08534 -50.98462 813.69338
4220.0000 -53.56355 -51.33167 2.23188 2.01846 -51.52553 689.95856
4225.0000 -53.54479 -51.29159 2.25320 2.03852 -51.36328 742.15592
4230.0000 -53.41340 -50.91857 2.49483 2.06403 -51.15696 797.08698
4235.0000 -52.89040 -50.99232 1.89807 2.13108 -50.61472 802.91203
4240.0000 -53.45861 -51.39890 2.05971 2.10175 -50.85195 746.25789
4245.0000 -52.61378 -50.31814 2.29564 2.10504 -50.82529 810.55103
4250.0000 -52.77955 -50.13252 2.64702 2.17452 -50.26339 860.91680
FREEZING PROCESS: loop number 18 T-loop= 774.00000000000000
main_MD> interactions number 18 at Temperature= 774.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43519 2.39820 2.26154
force_rgl> df(natom) 6.58849 -1.54922 1.77787
4255.0000 -52.83984 -51.11287 1.72697 2.14997 -50.46195 805.67053
4260.0000 -53.86910 -52.37192 1.49718 2.03470 -51.39418 724.92580
4265.0000 -53.82317 -51.75193 2.07124 1.93733 -52.18165 603.52248
4270.0000 -53.07513 -50.65844 2.41670 2.09181 -50.93236 751.84160
4275.0000 -52.63904 -50.24050 2.39854 2.15622 -50.41137 781.58883
4280.0000 -53.47891 -50.46871 3.01021 2.12383 -50.67338 808.76681
4285.0000 -54.13705 -51.82649 2.31056 1.98915 -51.76260 678.28239
4290.0000 -53.79586 -51.67159 2.12427 1.96062 -51.99336 670.41120
4295.0000 -53.97889 -52.19301 1.78588 1.98575 -51.79008 698.25460
4300.0000 -53.95659 -51.72208 2.23451 1.95564 -52.03363 619.73147
4305.0000 -53.56518 -50.90602 2.65916 2.05123 -51.26053 755.66133
4310.0000 -53.46976 -51.75667 1.71308 2.05946 -51.19396 737.74451
4315.0000 -53.37522 -51.53110 1.84411 2.01321 -51.56803 671.97932
4320.0000 -53.34834 -51.41921 1.92914 2.08197 -51.01191 791.10217
4325.0000 -53.91130 -52.22996 1.68134 1.97177 -51.90315 660.52628
4330.0000 -53.38650 -51.56491 1.82159 1.95625 -52.02864 646.98539
4335.0000 -53.42164 -51.69259 1.72905 2.00398 -51.64268 698.64545
4340.0000 -53.59750 -52.33295 1.26455 2.00173 -51.66089 691.11218
4345.0000 -53.03589 -50.90345 2.13244 2.05526 -51.22794 762.12063
4350.0000 -53.79304 -51.72121 2.07184 2.01143 -51.58241 686.68793
4355.0000 -53.27862 -51.16784 2.11078 1.98836 -51.76901 690.45896
4360.0000 -53.16154 -50.56555 2.59600 2.08134 -51.01697 749.45965
4365.0000 -53.03138 -50.56950 2.46188 2.15783 -50.39834 833.06588
4370.0000 -52.89796 -50.55192 2.34604 2.13597 -50.57514 818.06204
4375.0000 -53.15631 -51.41233 1.74397 2.06302 -51.16517 710.44134
4380.0000 -53.17943 -49.78720 3.39223 2.11989 -50.70524 766.87774
4385.0000 -52.95752 -51.26870 1.68882 2.14358 -50.51363 792.81333
4390.0000 -52.85894 -49.89956 2.95938 2.15633 -50.41053 852.39669
4395.0000 -53.18855 -50.45098 2.73757 2.17712 -50.24241 842.50643
4400.0000 -53.64721 -51.04168 2.60553 2.17866 -50.22990 853.74063
4405.0000 -53.51454 -50.75414 2.76040 2.10520 -50.82406 758.32204
4410.0000 -53.93309 -51.75154 2.18155 2.06826 -51.12274 804.72007
4415.0000 -54.16215 -51.89871 2.26344 1.91336 -52.37558 632.54410
4420.0000 -53.40763 -50.96495 2.44268 2.03862 -51.36248 693.60817
4425.0000 -53.02330 -49.86213 3.16117 2.14479 -50.50384 822.56416
4430.0000 -53.15479 -50.53265 2.62214 2.17376 -50.26956 865.38418
4435.0000 -51.90362 -49.17305 2.73057 2.24982 -49.65439 921.81863
4440.0000 -52.03625 -48.97209 3.06416 2.29666 -49.27555 984.63404
4445.0000 -52.58464 -49.95511 2.62953 2.28120 -49.40058 942.55426
4450.0000 -52.37288 -50.19991 2.17297 2.22892 -49.82345 857.56094
4455.0000 -52.87463 -50.31028 2.56436 2.19158 -50.12543 908.38956
4460.0000 -53.08128 -50.79317 2.28811 2.13456 -50.58657 842.92242
4465.0000 -53.38593 -51.14440 2.24153 2.10637 -50.81453 773.03206
4470.0000 -53.36480 -51.58673 1.77807 2.01951 -51.51702 691.16385
4475.0000 -53.74352 -51.22410 2.51942 2.00386 -51.64363 678.25768
4480.0000 -53.71551 -50.97723 2.73828 2.07384 -51.07765 806.47539
4485.0000 -52.79511 -50.59957 2.19555 2.14051 -50.53848 864.64149
4490.0000 -54.02127 -50.88028 3.14099 2.13464 -50.58593 858.99284
4495.0000 -53.67320 -51.00868 2.66452 2.08087 -51.02081 792.02590
4500.0000 -53.51336 -50.82980 2.68356 2.07551 -51.06411 798.82616
FREEZING PROCESS: loop number 19 T-loop= 749.00000000000000
main_MD> interactions number 19 at Temperature= 749.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33691 1.41204 -0.77145
force_rgl> df(natom) -0.24101 -1.06452 -1.11614
4505.0000 -52.60300 -50.27114 2.33187 2.14336 -50.51538 814.88287
4510.0000 -53.74508 -51.47280 2.27227 2.10151 -50.85384 726.58017
4515.0000 -53.85933 -51.84972 2.00962 2.02961 -51.43534 687.48581
4520.0000 -53.82359 -51.88848 1.93511 1.97477 -51.87892 644.42960
4525.0000 -52.83103 -50.37451 2.45652 2.05225 -51.25229 741.25128
4530.0000 -53.13044 -50.72742 2.40302 2.17905 -50.22673 865.91076
4535.0000 -53.27028 -51.12652 2.14377 2.05620 -51.22032 745.93932
4540.0000 -53.61429 -51.56010 2.05419 2.07200 -51.09250 751.47882
4545.0000 -52.77467 -50.33694 2.43773 2.08147 -51.01597 767.55317
4550.0000 -52.94410 -50.25814 2.68597 2.11950 -50.70840 808.59301
4555.0000 -53.15598 -51.58706 1.56892 2.11983 -50.70573 800.26849
4560.0000 -52.87467 -50.66121 2.21346 2.03916 -51.35811 697.18792
4565.0000 -52.69587 -49.68312 3.01275 2.13822 -50.55698 755.91497
4570.0000 -53.09394 -51.21360 1.88034 2.19024 -50.13625 921.27414
4575.0000 -52.83694 -50.57543 2.26152 2.08300 -51.00353 738.19070
4580.0000 -53.38184 -50.89661 2.48522 2.14024 -50.54066 843.38142
4585.0000 -53.53081 -51.09937 2.43144 2.10131 -50.85545 779.57279
4590.0000 -53.58240 -51.95496 1.62744 2.07792 -51.04466 766.04031
4595.0000 -53.56632 -51.81132 1.75499 1.95854 -52.01017 665.59738
4600.0000 -52.81783 -50.60808 2.20976 2.07843 -51.04056 749.39579
4605.0000 -53.35822 -51.09915 2.25908 2.08555 -50.98296 780.32830
4610.0000 -53.28115 -51.25711 2.02404 2.07332 -51.08188 753.44352
4615.0000 -54.39729 -52.34787 2.04941 1.98590 -51.78888 702.98682
4620.0000 -53.97829 -52.06734 1.91094 1.90914 -52.40964 588.79096
4625.0000 -53.02793 -50.46358 2.56435 2.00254 -51.65431 680.44895
4630.0000 -52.44698 -50.43562 2.01136 2.13700 -50.56684 814.53851
4635.0000 -53.60152 -51.63740 1.96412 2.07637 -51.05723 737.23028
4640.0000 -54.24331 -51.82462 2.41870 2.02441 -51.47741 676.27301
4645.0000 -53.66594 -51.72331 1.94263 1.99805 -51.69059 724.82031
4650.0000 -53.50183 -51.88948 1.61235 1.95900 -52.00647 647.33221
4655.0000 -53.70584 -51.89718 1.80866 1.96912 -51.92455 657.89398
4660.0000 -53.41072 -50.81940 2.59132 2.00513 -51.63332 684.91463
4665.0000 -53.02466 -51.05666 1.96800 2.05902 -51.19754 758.96583
4670.0000 -53.79167 -51.33064 2.46103 2.04840 -51.28342 753.62460
4675.0000 -53.39420 -51.14507 2.24913 2.06220 -51.17183 762.24173
4680.0000 -53.10652 -50.78276 2.32376 2.10833 -50.79874 794.37316
4685.0000 -53.19834 -51.03987 2.15847 2.11797 -50.72077 803.15967
4690.0000 -53.16175 -50.82938 2.33238 2.10686 -50.81061 800.31508
4695.0000 -53.38750 -51.17602 2.21148 2.10381 -50.83525 784.56257
4700.0000 -53.74702 -51.39333 2.35368 2.05398 -51.23831 739.46183
4705.0000 -53.75461 -51.90317 1.85143 1.96616 -51.94853 645.38078
4710.0000 -54.21083 -51.31755 2.89327 2.00332 -51.64796 673.66387
4715.0000 -53.83841 -52.14745 1.69095 2.02015 -51.51188 691.34010
4720.0000 -54.56812 -52.42622 2.14190 1.95108 -52.07047 644.52361
4725.0000 -53.48063 -51.60334 1.87730 1.91503 -52.36208 610.82667
4730.0000 -53.60881 -51.84104 1.76777 2.05729 -51.21154 743.10417
4735.0000 -53.24757 -50.98779 2.25978 2.05777 -51.20763 752.75334
4740.0000 -53.97736 -51.73841 2.23895 2.01953 -51.51688 754.35348
4745.0000 -53.01187 -50.90295 2.10892 2.03356 -51.40341 719.41127
4750.0000 -53.11870 -51.47411 1.64459 2.03965 -51.35418 771.14154
FREEZING PROCESS: loop number 20 T-loop= 724.00000000000000
main_MD> interactions number 20 at Temperature= 724.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.14045 -1.43867 3.62065
force_rgl> df(natom) 3.26477 -2.79076 -0.69722
4755.0000 -53.71666 -51.73662 1.98004 2.01570 -51.54787 716.76996
4760.0000 -54.18806 -52.33533 1.85273 1.96625 -51.94776 610.86315
4765.0000 -54.21273 -52.08615 2.12659 1.97652 -51.86476 688.78000
4770.0000 -53.59819 -52.00496 1.59324 1.97509 -51.87633 654.87958
4775.0000 -53.32923 -51.05052 2.27871 1.95620 -52.02905 628.19365
4780.0000 -53.01015 -51.37296 1.63720 2.04842 -51.28325 725.87381
4785.0000 -53.91567 -51.32264 2.59303 2.03123 -51.42230 749.70739
4790.0000 -52.96912 -50.51723 2.45188 2.10571 -50.81994 806.69651
4795.0000 -53.56322 -50.91490 2.64832 2.15344 -50.43388 832.45181
4800.0000 -54.24287 -52.44063 1.80224 1.99720 -51.69745 664.81394
4805.0000 -53.55098 -51.67158 1.87940 1.97931 -51.84216 645.51268
4810.0000 -54.15992 -51.42661 2.73331 1.93208 -52.22419 612.34436
4815.0000 -52.75137 -50.33461 2.41676 2.08796 -50.96346 774.90871
4820.0000 -53.78320 -51.19837 2.58483 2.10229 -50.84753 749.61342
4825.0000 -53.98769 -51.06239 2.92530 2.04142 -51.33982 714.93614
4830.0000 -53.40788 -51.29181 2.11607 2.02741 -51.45318 760.76611
4835.0000 -53.08575 -50.58138 2.50437 2.07452 -51.07219 771.56026
4840.0000 -53.49702 -50.71561 2.78141 2.12025 -50.70233 816.52100
4845.0000 -53.74335 -51.55482 2.18853 2.02209 -51.49615 650.31200
4850.0000 -53.76522 -50.97611 2.78911 2.04260 -51.33031 768.82786
4855.0000 -53.61588 -51.73962 1.87625 2.02014 -51.51194 712.18233
4860.0000 -52.84792 -50.43258 2.41534 2.13246 -50.60360 854.41605
4865.0000 -53.74445 -50.56809 3.17635 2.14344 -50.51478 849.42166
4870.0000 -53.49254 -51.62014 1.87240 2.07496 -51.06862 779.47621
4875.0000 -53.24162 -51.60851 1.63311 1.99872 -51.68518 700.14806
4880.0000 -53.41123 -51.51977 1.89146 2.03174 -51.41812 697.08676
4885.0000 -53.96274 -51.74458 2.21816 1.96315 -51.97288 674.85762
4890.0000 -54.14133 -52.21031 1.93102 1.90715 -52.42573 588.28870
4895.0000 -52.98839 -51.26963 1.71876 2.00019 -51.67334 682.27682
4900.0000 -53.70471 -51.72109 1.98361 2.01304 -51.56936 706.13867
4905.0000 -53.34290 -51.47297 1.86993 1.97709 -51.86017 633.37614
4910.0000 -53.64036 -51.53938 2.10097 2.06355 -51.16088 732.76749
4915.0000 -53.83541 -51.85499 1.98043 2.03168 -51.41866 735.04623
4920.0000 -54.15640 -52.14365 2.01275 1.95113 -52.07006 622.96585
4925.0000 -53.24897 -51.00259 2.24638 1.98236 -51.81751 677.36384
4930.0000 -53.10793 -51.23777 1.87016 2.06772 -51.12717 774.17448
4935.0000 -53.27881 -50.35327 2.92554 2.09832 -50.87966 782.86586
4940.0000 -53.22032 -51.03632 2.18400 2.20863 -49.98750 868.19520
4945.0000 -53.97225 -51.80027 2.17199 2.03923 -51.35756 765.64883
4950.0000 -53.96203 -51.78766 2.17437 1.96961 -51.92065 651.56431
4955.0000 -53.48679 -51.51983 1.96696 1.96077 -51.99212 617.43997
4960.0000 -53.67694 -51.21154 2.46539 2.02943 -51.43685 722.56830
4965.0000 -53.45807 -51.28498 2.17309 2.08662 -50.97430 795.32153
4970.0000 -53.30937 -51.12908 2.18029 2.06177 -51.17525 768.44204
4975.0000 -53.54629 -51.57382 1.97247 2.07147 -51.09682 774.64147
4980.0000 -54.04181 -52.03527 2.00653 1.99704 -51.69877 673.59319
4985.0000 -53.77806 -51.92919 1.84887 2.00222 -51.65689 718.81743
4990.0000 -52.91821 -50.70574 2.21247 1.99844 -51.68747 678.66337
4995.0000 -53.00202 -51.09910 1.90291 2.16294 -50.35706 887.84024
5000.0000 -54.06754 -52.18593 1.88160 2.02907 -51.43974 730.60657
FREEZING PROCESS: loop number 21 T-loop= 699.00000000000000
main_MD> interactions number 21 at Temperature= 699.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04700 -2.38663 -0.99512
force_rgl> df(natom) 2.25698 2.25052 -0.34722
5005.0000 -53.62459 -52.19315 1.43144 1.99235 -51.73671 705.29279
5010.0000 -52.75417 -50.85252 1.90164 2.00641 -51.62298 666.13817
5015.0000 -53.27363 -50.65431 2.61932 2.05333 -51.24351 722.61752
5020.0000 -52.74981 -51.01471 1.73510 2.10150 -50.85398 734.79578
5025.0000 -53.98752 -51.56316 2.42436 2.06494 -51.14960 765.47200
5030.0000 -54.03226 -51.81823 2.21403 1.99176 -51.74149 691.13457
5035.0000 -53.34530 -50.76598 2.57932 2.01839 -51.52611 732.12603
5040.0000 -52.69899 -50.23027 2.46872 2.11928 -50.71016 801.99847
5045.0000 -53.83868 -51.94887 1.88982 2.08318 -51.00215 781.90598
5050.0000 -53.37421 -51.32180 2.05242 2.02132 -51.50244 747.76531
5055.0000 -53.74023 -51.64999 2.09024 2.02454 -51.47638 727.64262
5060.0000 -53.77908 -51.77919 1.99989 2.03843 -51.36402 760.15691
5065.0000 -53.56335 -51.51779 2.04555 2.03185 -51.41721 691.25085
5070.0000 -53.53195 -51.40758 2.12437 2.07814 -51.04289 782.97914
5075.0000 -54.58852 -52.06769 2.52083 1.98548 -51.79228 698.67342
5080.0000 -53.96068 -51.22969 2.73099 1.96517 -51.95656 659.91126
5085.0000 -53.42331 -51.33329 2.09002 2.07448 -51.07245 754.63108
5090.0000 -54.06117 -52.28996 1.77120 2.04073 -51.34546 697.98509
5095.0000 -53.72834 -52.12351 1.60484 1.93923 -52.16630 624.57612
5100.0000 -53.68492 -51.45492 2.23000 1.98642 -51.78469 690.08838
5105.0000 -53.16934 -50.94437 2.22497 2.05146 -51.25869 739.77158
5110.0000 -53.95570 -51.19557 2.76012 2.06341 -51.16200 742.08840
5115.0000 -53.03846 -51.37456 1.66390 2.03948 -51.35552 729.21706
5120.0000 -53.25470 -50.60979 2.64490 2.12362 -50.67509 808.36208
5125.0000 -53.30897 -50.55777 2.75120 2.11176 -50.77096 810.48124
5130.0000 -52.86101 -50.45422 2.40679 2.16746 -50.32052 845.92182
5135.0000 -53.58868 -51.06368 2.52501 2.11407 -50.75228 769.75635
5140.0000 -53.58859 -51.75202 1.83657 2.03382 -51.40131 726.04849
5145.0000 -53.38737 -52.28688 1.10049 1.95612 -52.02969 639.95206
5150.0000 -53.94783 -51.30117 2.64666 2.00558 -51.62972 706.00455
5155.0000 -54.21665 -52.16785 2.04880 1.98976 -51.75763 716.67591
5160.0000 -53.41700 -51.15315 2.26385 1.96880 -51.92719 648.43510
5165.0000 -53.31172 -51.21411 2.09761 2.09098 -50.93903 770.56027
5170.0000 -53.85028 -51.71211 2.13817 2.04768 -51.28921 774.39830
5175.0000 -53.00918 -51.22008 1.78910 2.02149 -51.50105 730.69347
5180.0000 -54.20746 -52.12601 2.08144 2.01068 -51.58843 715.75728
5185.0000 -54.37503 -52.28653 2.08850 1.98053 -51.83233 677.83345
5190.0000 -53.99428 -52.24907 1.74521 1.99140 -51.74440 711.67440
5195.0000 -53.70422 -51.82891 1.87531 1.98643 -51.78460 723.55360
5200.0000 -53.59439 -50.94651 2.64789 2.02646 -51.46084 696.34090
5205.0000 -53.50139 -50.85488 2.64651 2.10077 -50.85989 775.24084
5210.0000 -53.48601 -51.23613 2.24988 2.10106 -50.85754 807.52041
5215.0000 -53.63853 -51.74801 1.89052 1.98975 -51.75773 646.80731
5220.0000 -53.49255 -51.52420 1.96836 2.04097 -51.34353 733.63816
5225.0000 -54.10721 -51.94994 2.15727 1.97561 -51.87210 663.47241
5230.0000 -53.75240 -51.39943 2.35297 1.99975 -51.67685 712.17142
5235.0000 -53.91348 -51.42983 2.48365 1.99567 -51.70985 692.84663
5240.0000 -53.54680 -51.27041 2.27639 2.04424 -51.31705 745.21553
5245.0000 -52.94429 -51.21162 1.73268 2.10091 -50.85873 732.92771
5250.0000 -53.24847 -51.31534 1.93313 2.04732 -51.29213 648.37812
FREEZING PROCESS: loop number 22 T-loop= 674.00000000000000
main_MD> interactions number 22 at Temperature= 674.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66427 0.84564 -0.71239
force_rgl> df(natom) -1.21157 -0.98164 -1.26898
5255.0000 -53.74680 -51.77389 1.97292 1.99530 -51.71281 662.38484
5260.0000 -53.13865 -50.84952 2.28914 2.04620 -51.30118 748.89972
5265.0000 -53.60777 -51.33848 2.26929 2.02145 -51.50134 679.51606
5270.0000 -54.49838 -52.28205 2.21633 1.97247 -51.89747 648.04404
5275.0000 -54.11624 -52.29847 1.81776 1.94572 -52.11382 618.16668
5280.0000 -53.77560 -51.74777 2.02783 1.93338 -52.21366 644.18117
5285.0000 -54.05750 -52.40910 1.64841 1.95443 -52.04335 682.10604
5290.0000 -53.27092 -51.44099 1.82993 1.95267 -52.05759 623.77170
5295.0000 -53.95033 -51.85232 2.09800 1.96324 -51.97215 668.36806
5300.0000 -53.12912 -51.61308 1.51604 1.96112 -51.98927 673.36222
5305.0000 -53.43550 -52.02175 1.41375 1.98107 -51.82794 674.93792
5310.0000 -53.90118 -52.11135 1.78983 1.93232 -52.22219 632.40799
5315.0000 -53.71748 -51.71062 2.00685 1.99016 -51.75440 673.98986
5320.0000 -53.99306 -52.77186 1.22119 1.97274 -51.89531 622.97638
5325.0000 -54.04095 -52.09504 1.94591 1.87074 -52.72026 513.46040
5330.0000 -53.54172 -51.28143 2.26028 1.96671 -51.94404 651.22016
5335.0000 -54.01781 -51.29770 2.72011 2.01553 -51.54921 685.12910
5340.0000 -53.83715 -51.47945 2.35770 1.97008 -51.91685 678.64883
5345.0000 -53.73534 -51.92564 1.80970 1.98350 -51.80828 708.89677
5350.0000 -53.51349 -51.10673 2.40676 2.03376 -51.40183 714.76010
5355.0000 -53.28139 -50.97410 2.30729 2.09344 -50.91911 737.72719
5360.0000 -53.06552 -51.19150 1.87402 2.08022 -51.02605 683.83754
5365.0000 -53.17120 -50.95526 2.21594 2.07132 -51.09804 687.20818
5370.0000 -53.69897 -51.55751 2.14145 2.02414 -51.47961 724.47767
5375.0000 -53.56944 -51.43392 2.13552 2.02041 -51.50978 709.66012
5380.0000 -53.63902 -51.57265 2.06637 2.02298 -51.48901 710.39213
5385.0000 -53.62593 -51.56847 2.05747 2.01730 -51.53493 694.61951
5390.0000 -54.12819 -51.75200 2.37619 1.99604 -51.70688 692.19578
5395.0000 -54.10377 -52.16873 1.93504 1.96034 -51.99563 633.73378
5400.0000 -54.32512 -52.35696 1.96816 1.95919 -52.00489 646.53005
5405.0000 -53.65950 -52.07868 1.58082 1.94737 -52.10053 633.45280
5410.0000 -53.54638 -51.66262 1.88376 1.95430 -52.04446 592.76407
5415.0000 -53.61387 -51.35405 2.25983 2.02806 -51.44789 721.24148
5420.0000 -53.41840 -50.90485 2.51355 2.09197 -50.93100 799.98376
5425.0000 -53.70388 -51.88509 1.81878 1.97554 -51.87267 657.91263
5430.0000 -53.57170 -51.18720 2.38449 2.00393 -51.64309 662.81965
5435.0000 -53.52493 -51.18989 2.33504 2.05076 -51.26435 719.88094
5440.0000 -52.80073 -50.79270 2.00804 2.09925 -50.87213 786.76903
5445.0000 -53.04394 -51.12668 1.91726 2.06822 -51.12312 757.57207
5450.0000 -54.52656 -51.96714 2.55942 2.04302 -51.32691 719.20401
5455.0000 -53.89165 -51.91757 1.97407 1.95899 -52.00653 667.63647
5460.0000 -53.75033 -51.94492 1.80541 2.00066 -51.66948 698.23257
5465.0000 -53.50674 -51.35866 2.14808 2.01452 -51.55740 699.97672
5470.0000 -53.17822 -51.01142 2.16681 2.07272 -51.08673 766.35868
5475.0000 -53.78543 -52.10540 1.68003 2.06382 -51.15873 773.90250
5480.0000 -53.94997 -51.97707 1.97290 1.93816 -52.17497 585.26492
5485.0000 -53.92423 -52.27040 1.65383 1.93533 -52.19787 550.83858
5490.0000 -54.28610 -51.86625 2.41986 1.96261 -51.97722 582.60377
5495.0000 -52.78432 -50.75910 2.02523 2.05114 -51.26123 721.87503
5500.0000 -53.49531 -50.61280 2.88251 2.14485 -50.50333 851.21522
FREEZING PROCESS: loop number 23 T-loop= 649.00000000000000
main_MD> interactions number 23 at Temperature= 649.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47085 0.97959 -1.42767
force_rgl> df(natom) 0.36566 -2.19675 0.24813
5505.0000 -53.61259 -51.30982 2.30277 2.08699 -50.97128 776.06142
5510.0000 -53.75590 -52.19524 1.56066 1.98712 -51.77900 674.96272
5515.0000 -53.80152 -52.00072 1.80080 1.95892 -52.00711 640.12983
5520.0000 -53.56595 -51.75875 1.80720 1.97919 -51.84312 671.41150
5525.0000 -53.53713 -51.74748 1.78965 1.96327 -51.97188 633.00432
5530.0000 -52.93390 -51.27533 1.65857 1.98015 -51.83538 678.42031
5535.0000 -53.51747 -51.30699 2.21048 2.04185 -51.33638 707.55582
5540.0000 -53.97489 -52.02100 1.95389 1.96992 -51.91812 670.98365
5545.0000 -53.43983 -51.18910 2.25073 2.01335 -51.56687 695.44189
5550.0000 -54.86606 -52.58465 2.28141 1.92992 -52.24159 595.19658
5555.0000 -54.33174 -52.54040 1.79134 1.88705 -52.58832 600.32636
5560.0000 -53.82558 -52.26578 1.55980 1.90606 -52.43458 587.29336
5565.0000 -53.51942 -51.37655 2.14287 2.03851 -51.36342 683.93369
5570.0000 -53.98865 -52.51308 1.47558 1.95113 -52.07008 591.81904
5575.0000 -54.01126 -51.95653 2.05473 1.93975 -52.16214 663.49551
5580.0000 -54.12586 -52.35228 1.77357 1.95200 -52.06303 677.49964
5585.0000 -53.77798 -51.66329 2.11469 1.97817 -51.85137 636.58114
5590.0000 -53.26153 -51.07171 2.18982 2.03202 -51.41590 729.44302
5595.0000 -53.55435 -51.27008 2.28427 2.03680 -51.37724 717.17506
5600.0000 -53.23639 -51.20509 2.03129 2.05479 -51.23171 719.56730
5605.0000 -53.31981 -51.41601 1.90380 1.97736 -51.85791 675.93257
5610.0000 -53.97470 -51.94444 2.03026 2.01164 -51.58069 688.63032
5615.0000 -54.09555 -52.97387 1.12168 1.87186 -52.71119 536.32943
5620.0000 -54.30772 -52.22636 2.08136 1.89438 -52.52908 610.53344
5625.0000 -54.12564 -51.99604 2.12960 1.90144 -52.47199 620.88952
5630.0000 -53.83651 -52.08641 1.75010 1.95600 -52.03069 674.62265
5635.0000 -54.13443 -52.05735 2.07708 1.90896 -52.41110 606.45664
5640.0000 -53.87151 -52.32335 1.54816 1.94549 -52.11566 658.20569
5645.0000 -54.05105 -51.45192 2.59913 1.96924 -51.92358 627.10557
5650.0000 -53.78219 -51.91433 1.86787 1.98831 -51.76942 665.83494
5655.0000 -54.11716 -51.99633 2.12083 1.94200 -52.14389 609.75953
5660.0000 -53.82386 -51.96927 1.85459 1.96185 -51.98342 648.84038
5665.0000 -53.70148 -52.34709 1.35439 1.95045 -52.07560 596.64719
5670.0000 -54.04916 -52.09925 1.94991 1.92492 -52.28208 625.84645
5675.0000 -53.06413 -51.14021 1.92392 1.95995 -51.99872 651.80940
5680.0000 -53.61659 -51.51412 2.10248 2.03843 -51.36406 692.05409
5685.0000 -53.79255 -51.20892 2.58363 2.05442 -51.23472 705.81271
5690.0000 -53.94860 -52.02482 1.92379 1.99415 -51.72216 666.63266
5695.0000 -53.32867 -51.57208 1.75659 1.99405 -51.72293 676.09443
5700.0000 -54.05601 -52.37376 1.68226 1.95802 -52.01439 616.66183
5705.0000 -54.67806 -52.49510 2.18297 1.87195 -52.71044 549.34620
5710.0000 -54.23107 -52.65171 1.57936 1.88963 -52.56747 593.22199
5715.0000 -54.61838 -52.51176 2.10662 1.85567 -52.84216 514.08872
5720.0000 -53.96154 -51.79847 2.16307 1.96477 -51.95976 648.52645
5725.0000 -53.55009 -51.89287 1.65721 1.94451 -52.12360 629.20115
5730.0000 -54.13664 -52.34492 1.79171 1.94226 -52.14186 622.09638
5735.0000 -53.88309 -52.06584 1.81725 1.94173 -52.14609 624.95962
5740.0000 -54.27089 -51.79642 2.47446 1.97347 -51.88938 700.67037
5745.0000 -53.62005 -51.65189 1.96815 2.00923 -51.60016 695.58949
5750.0000 -54.25083 -52.08345 2.16738 1.95645 -52.02707 647.49646
FREEZING PROCESS: loop number 24 T-loop= 624.00000000000000
main_MD> interactions number 24 at Temperature= 624.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.21606 -0.74899 -0.26544
force_rgl> df(natom) -1.59145 -2.57825 -0.03403
5755.0000 -54.43320 -52.53448 1.89872 1.92296 -52.29792 607.57285
5760.0000 -54.31473 -52.85681 1.45792 1.85700 -52.83139 516.61680
5765.0000 -54.48441 -53.05284 1.43157 1.83903 -52.97667 515.98209
5770.0000 -53.72682 -51.73469 1.99213 1.88089 -52.63818 569.19553
5775.0000 -53.68647 -51.67109 2.01538 2.01221 -51.57610 728.67428
5780.0000 -53.88501 -51.70878 2.17623 1.99490 -51.71608 694.16745
5785.0000 -53.55683 -51.91759 1.63924 1.97002 -51.91731 663.50009
5790.0000 -54.01090 -51.81745 2.19345 1.95432 -52.04428 636.88579
5795.0000 -53.82430 -51.42232 2.40198 1.99264 -51.73440 694.29355
5800.0000 -54.07056 -52.83549 1.23507 1.94198 -52.14410 598.73007
5805.0000 -54.45217 -53.04771 1.40446 1.85371 -52.85801 494.38130
5810.0000 -54.11432 -52.14693 1.96739 1.85433 -52.85300 541.50422
5815.0000 -53.77156 -51.74530 2.02626 1.95024 -52.07727 647.33610
5820.0000 -54.26569 -52.26756 1.99814 1.97977 -51.83848 680.13905
5825.0000 -54.27014 -51.62548 2.64466 1.94158 -52.14729 652.81755
5830.0000 -54.01534 -52.25248 1.76286 1.95544 -52.03522 655.94310
5835.0000 -53.63094 -51.54860 2.08234 1.98493 -51.79673 690.68951
5840.0000 -53.44397 -51.23110 2.21287 2.02003 -51.51281 707.35797
5845.0000 -54.26890 -52.51645 1.75246 1.94891 -52.08807 606.28876
5850.0000 -54.17464 -52.69755 1.47709 1.87936 -52.65053 559.45988
5855.0000 -54.42608 -52.99193 1.43415 1.83466 -53.01201 500.82925
5860.0000 -54.02799 -52.41152 1.61648 1.88778 -52.58242 556.78547
5865.0000 -53.83297 -51.83578 1.99719 1.91754 -52.34172 597.77254
5870.0000 -53.55380 -51.76042 1.79338 1.97926 -51.84255 654.52821
5875.0000 -54.23116 -52.90569 1.32547 1.92948 -52.24518 600.36224
5880.0000 -53.87163 -52.47966 1.39196 1.87722 -52.66780 546.79637
5885.0000 -54.00177 -52.02914 1.97263 1.91179 -52.38827 568.21386
5890.0000 -54.43284 -52.39926 2.03358 1.94127 -52.14985 635.56766
5895.0000 -54.45594 -53.14830 1.30764 1.84970 -52.89041 563.01406
5900.0000 -53.92928 -52.52830 1.40098 1.85989 -52.80797 526.59584
5905.0000 -53.35758 -51.58737 1.77021 1.98156 -51.82397 633.00612
5910.0000 -53.91880 -51.72390 2.19490 1.99124 -51.74572 683.15409
5915.0000 -53.88996 -51.50703 2.38293 2.02452 -51.47651 666.90274
5920.0000 -53.28598 -51.61602 1.66996 1.99401 -51.72332 667.38688
5925.0000 -53.30249 -51.96289 1.33960 1.99125 -51.74558 663.63664
5930.0000 -54.09393 -52.05361 2.04032 1.96017 -51.99697 586.73629
5935.0000 -54.46412 -52.27489 2.18923 1.89828 -52.49754 577.01953
5940.0000 -53.88272 -52.04509 1.83763 1.93702 -52.18418 628.43758
5945.0000 -53.92185 -52.21965 1.70221 1.91655 -52.34974 611.08582
5950.0000 -53.57937 -51.69546 1.88391 2.00532 -51.63179 691.27282
5955.0000 -53.73659 -51.39860 2.33799 2.04388 -51.31995 725.27198
5960.0000 -54.34859 -52.22739 2.12120 2.01521 -51.55180 719.08226
5965.0000 -54.06196 -52.23174 1.83021 1.92331 -52.29511 614.75721
5970.0000 -53.92355 -52.30129 1.62226 1.93944 -52.16465 645.14900
5975.0000 -54.44637 -52.41302 2.03335 1.92649 -52.26935 618.46847
5980.0000 -53.40678 -51.58781 1.81897 1.92410 -52.28865 596.40073
5985.0000 -53.48629 -51.47862 2.00767 2.01901 -51.52113 737.82311
5990.0000 -53.31962 -51.43850 1.88112 2.03103 -51.42389 719.72525
5995.0000 -53.52184 -51.48480 2.03703 2.01805 -51.52884 686.58772
6000.0000 -53.87462 -51.67839 2.19623 2.04280 -51.32868 684.31091
FREEZING PROCESS: loop number 25 T-loop= 599.00000000000000
main_MD> interactions number 25 at Temperature= 599.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.96340 -2.60306 0.73063
force_rgl> df(natom) -2.17887 0.62803 -1.44009
6005.0000 -54.31896 -52.62497 1.69399 1.87551 -52.68165 576.86188
6010.0000 -54.24794 -52.71698 1.53096 1.89162 -52.55136 594.46424
6015.0000 -54.11398 -52.66596 1.44802 1.86687 -52.75157 535.75201
6020.0000 -54.69983 -52.51889 2.18094 1.89226 -52.54621 582.49000
6025.0000 -53.48111 -52.05092 1.43019 1.94591 -52.11226 616.45687
6030.0000 -53.92425 -52.05328 1.87097 1.94176 -52.14584 584.34379
6035.0000 -53.65909 -51.88947 1.76962 1.94484 -52.12097 636.47354
6040.0000 -54.51787 -52.80131 1.71657 1.89428 -52.52982 593.47787
6045.0000 -54.18770 -52.47911 1.70859 1.90642 -52.43168 608.80062
6050.0000 -53.91972 -52.47055 1.44917 1.88375 -52.61505 536.59869
6055.0000 -54.29816 -52.17255 2.12562 1.93203 -52.22459 629.89093
6060.0000 -53.24923 -50.75507 2.49416 2.01490 -51.55433 684.87385
6065.0000 -53.97776 -52.43249 1.54527 2.03340 -51.40469 712.36258
6070.0000 -54.32806 -52.34306 1.98500 1.93942 -52.16478 622.60987
6075.0000 -54.53795 -52.98402 1.55392 1.82542 -53.08681 507.62115
6080.0000 -53.92386 -52.37060 1.55326 1.87675 -52.67160 555.04817
6085.0000 -53.82526 -51.69445 2.13080 1.91048 -52.39884 592.25346
6090.0000 -53.82957 -52.21854 1.61103 1.95576 -52.03261 662.80897
6095.0000 -54.35980 -52.70872 1.65107 1.88564 -52.59970 553.63636
6100.0000 -54.49017 -52.80479 1.68538 1.85629 -52.83707 528.80123
6105.0000 -53.81685 -52.65891 1.15794 1.83803 -52.98478 494.04505
6110.0000 -54.40390 -52.86290 1.54099 1.87790 -52.66232 549.53117
6115.0000 -54.06782 -52.61704 1.45079 1.92285 -52.29883 578.85302
6120.0000 -54.65684 -52.84542 1.81142 1.83249 -53.02962 510.99623
6125.0000 -54.31847 -52.44125 1.87722 1.82908 -53.05714 507.37835
6130.0000 -54.37755 -52.57165 1.80590 1.90747 -52.42317 607.81608
6135.0000 -54.14814 -52.18737 1.96077 1.89784 -52.50106 563.87006
6140.0000 -54.30179 -52.94353 1.35825 1.91010 -52.40194 597.84938
6145.0000 -54.49070 -52.96807 1.52263 1.90563 -52.43806 619.51148
6150.0000 -54.08335 -52.84454 1.23881 1.88729 -52.58636 586.46433
6155.0000 -54.23963 -52.39160 1.84803 1.88789 -52.58150 599.07028
6160.0000 -53.74881 -52.03963 1.70918 1.91590 -52.35500 598.69118
6165.0000 -53.58860 -51.22625 2.36235 1.99115 -51.74639 680.30072
6170.0000 -53.72234 -51.24506 2.47728 2.05712 -51.21285 767.04861
6175.0000 -53.98457 -51.61993 2.36464 2.01262 -51.57276 688.39752
6180.0000 -53.85151 -51.69675 2.15476 1.97767 -51.85543 640.74758
6185.0000 -54.14711 -52.10787 2.03925 1.94308 -52.13522 629.83085
6190.0000 -53.81922 -51.79844 2.02078 1.96449 -51.96199 633.75680
6195.0000 -53.97821 -52.04217 1.93604 1.91759 -52.34137 582.39629
6200.0000 -52.87738 -50.99220 1.88518 2.01785 -51.53051 642.66721
6205.0000 -53.78160 -51.31266 2.46895 2.11378 -50.75463 759.56257
6210.0000 -53.53246 -51.74960 1.78286 2.04501 -51.31083 701.72049
6215.0000 -53.79263 -52.21168 1.58095 1.95203 -52.06278 621.24321
6220.0000 -53.54406 -51.45573 2.08833 1.95102 -52.07100 623.92445
6225.0000 -54.02344 -52.12284 1.90061 1.99427 -51.72122 723.38459
6230.0000 -54.33334 -52.03957 2.29377 1.93605 -52.19201 630.59703
6235.0000 -54.14406 -52.32918 1.81488 1.97194 -51.90178 636.03147
6240.0000 -53.67253 -51.87518 1.79735 1.98558 -51.79142 659.06029
6245.0000 -54.37963 -52.85456 1.52507 1.88419 -52.61149 558.79585
6250.0000 -54.62221 -52.73624 1.88596 1.83552 -53.00506 518.81694
FREEZING PROCESS: loop number 26 T-loop= 574.00000000000000
main_MD> interactions number 26 at Temperature= 574.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68363 0.51866 0.53813
force_rgl> df(natom) 0.29952 1.63716 -0.01066
6255.0000 -54.11372 -52.64262 1.47110 1.90224 -52.46546 584.23267
6260.0000 -54.20916 -52.84744 1.36172 1.87273 -52.70412 533.36246
6265.0000 -54.15558 -52.38678 1.76881 1.86264 -52.78572 524.12103
6270.0000 -54.25173 -52.37364 1.87808 1.94857 -52.09082 627.80393
6275.0000 -53.95688 -51.84371 2.11317 1.91527 -52.36006 609.94161
6280.0000 -54.04803 -52.31173 1.73630 1.92620 -52.27171 591.61582
6285.0000 -53.88063 -52.29478 1.58585 1.92367 -52.29215 601.56880
6290.0000 -53.52199 -51.61532 1.90668 1.93399 -52.20867 571.44334
6295.0000 -53.76983 -52.34052 1.42931 1.95769 -52.01699 618.62562
6300.0000 -54.26351 -52.32958 1.93393 1.93401 -52.20857 637.31723
6305.0000 -54.52296 -52.72119 1.80177 1.90440 -52.44798 582.57242
6310.0000 -54.63206 -53.02166 1.61041 1.84247 -52.94888 526.79613
6315.0000 -54.53072 -53.22507 1.30565 1.82144 -53.11895 508.85687
6320.0000 -54.19407 -52.43090 1.76317 1.86819 -52.74090 564.73488
6325.0000 -54.60694 -52.93204 1.67490 1.87158 -52.71342 557.05657
6330.0000 -54.29547 -52.27164 2.02383 1.87279 -52.70365 551.22479
6335.0000 -54.18710 -51.97305 2.21404 1.92380 -52.29112 643.72967
6340.0000 -54.14637 -52.68837 1.45800 1.91948 -52.32603 609.10182
6345.0000 -54.37678 -53.09259 1.28419 1.84645 -52.91666 508.97019
6350.0000 -54.61616 -53.14856 1.46760 1.84824 -52.90218 528.16227
6355.0000 -54.01626 -52.19919 1.81707 1.85928 -52.81290 525.80865
6360.0000 -54.35108 -52.84159 1.50949 1.87153 -52.71381 508.03789
6365.0000 -53.90537 -52.71637 1.18901 1.89226 -52.54621 528.53978
6370.0000 -54.22918 -51.91348 2.31570 1.97625 -51.86691 640.16780
6375.0000 -54.01291 -52.31830 1.69461 1.97058 -51.91281 616.97142
6380.0000 -53.78637 -52.35146 1.43490 1.91612 -52.35319 596.69415
6385.0000 -54.65427 -52.58486 2.06941 1.90279 -52.46107 570.14010
6390.0000 -54.36086 -52.78820 1.57267 1.90213 -52.46638 565.66294
6395.0000 -54.13611 -52.46872 1.66739 1.92530 -52.27902 591.82186
6400.0000 -53.84960 -51.98943 1.86017 1.93228 -52.22256 594.41539
6405.0000 -53.72813 -51.85382 1.87432 1.96598 -51.94996 639.45381
6410.0000 -53.98117 -51.99073 1.99044 2.00613 -51.62526 691.61409
6415.0000 -54.27562 -52.59210 1.68352 1.91689 -52.34701 589.86707
6420.0000 -54.60823 -52.74837 1.85986 1.88129 -52.63494 561.58950
6425.0000 -53.97994 -52.35005 1.62989 1.92328 -52.29532 598.48566
6430.0000 -54.34878 -52.52966 1.81912 1.95306 -52.05444 599.89483
6435.0000 -54.33812 -52.80264 1.53548 1.86407 -52.77422 508.80653
6440.0000 -54.71446 -53.14761 1.56686 1.81706 -53.15436 478.93803
6445.0000 -54.38567 -52.90571 1.47996 1.86142 -52.79564 526.58043
6450.0000 -54.15400 -52.13237 2.02163 1.91605 -52.35381 569.43094
6455.0000 -54.35315 -52.96300 1.39015 1.86660 -52.75369 564.23983
6460.0000 -53.66240 -51.66972 1.99268 1.89454 -52.52779 569.35992
6465.0000 -54.29967 -52.79527 1.50440 1.92193 -52.30624 577.93440
6470.0000 -54.46616 -52.37242 2.09374 1.89010 -52.56368 570.20098
6475.0000 -54.62548 -52.74890 1.87658 1.90463 -52.44615 605.87933
6480.0000 -54.88773 -53.25050 1.63723 1.85012 -52.88704 541.97358
6485.0000 -54.68392 -52.91217 1.77174 1.87317 -52.70059 587.43724
6490.0000 -54.41221 -52.34594 2.06627 1.87566 -52.68043 571.21327
6495.0000 -54.31717 -52.60250 1.71467 1.89780 -52.50138 551.71690
6500.0000 -53.84572 -52.20029 1.64543 1.91917 -52.32860 591.21167
FREEZING PROCESS: loop number 27 T-loop= 549.00000000000000
main_MD> interactions number 27 at Temperature= 549.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.09259 -1.68949 6.41495
force_rgl> df(natom) -2.02820 -2.31228 -1.81535
6505.0000 -53.76913 -51.75399 2.01514 1.98694 -51.78049 654.46575
6510.0000 -54.13200 -52.25310 1.87890 1.92782 -52.25858 622.78222
6515.0000 -54.54383 -52.56149 1.98234 1.94215 -52.14268 613.66830
6520.0000 -53.92128 -52.24718 1.67411 1.87556 -52.68124 562.92543
6525.0000 -54.62294 -53.13110 1.49184 1.88930 -52.57011 566.63473
6530.0000 -54.21100 -52.64842 1.56258 1.86615 -52.75732 585.63336
6535.0000 -54.63910 -52.86884 1.77026 1.85299 -52.86377 558.38755
6540.0000 -54.52296 -53.04229 1.48067 1.87062 -52.72122 519.78356
6545.0000 -54.31498 -52.58455 1.73043 1.86932 -52.73172 557.29212
6550.0000 -54.52904 -53.34034 1.18870 1.85127 -52.87774 552.28455
6555.0000 -54.84016 -53.12117 1.71899 1.77848 -53.46644 461.44709
6560.0000 -54.65511 -53.44408 1.21103 1.79195 -53.35750 478.70663
6565.0000 -54.82424 -53.00576 1.81848 1.82064 -53.12545 506.13593
6570.0000 -55.06572 -53.60649 1.45924 1.80374 -53.26212 483.48622
6575.0000 -54.29897 -53.22938 1.06959 1.80860 -53.22281 475.43123
6580.0000 -54.51206 -53.05447 1.45759 1.81718 -53.15344 485.01730
6585.0000 -54.09779 -52.70045 1.39734 1.85172 -52.87405 524.42751
6590.0000 -54.41737 -52.44864 1.96873 1.85825 -52.82128 528.26422
6595.0000 -54.66416 -52.86621 1.79795 1.89497 -52.52426 585.20151
6600.0000 -54.13679 -52.23103 1.90575 1.87791 -52.66226 570.26719
6605.0000 -53.74655 -52.35543 1.39112 1.89507 -52.52348 569.79886
6610.0000 -53.52311 -52.04082 1.48229 1.96215 -51.98093 639.80908
6615.0000 -53.54796 -51.96925 1.57871 1.96048 -51.99450 624.86253
6620.0000 -54.22886 -52.69879 1.53006 1.91479 -52.36402 621.01817
6625.0000 -54.70798 -52.96506 1.74292 1.83523 -53.00745 525.89360
6630.0000 -54.46098 -52.48605 1.97494 1.86355 -52.77839 552.84834
6635.0000 -53.70428 -51.94597 1.75831 1.91326 -52.37637 604.92751
6640.0000 -54.45830 -53.09539 1.36291 1.90458 -52.44656 591.81543
6645.0000 -54.08993 -52.73910 1.35083 1.83264 -53.02840 506.38063
6650.0000 -55.08604 -53.47078 1.61526 1.80533 -53.24925 466.29008
6655.0000 -54.38802 -53.18921 1.19881 1.81811 -53.14589 477.67320
6660.0000 -54.54172 -53.05077 1.49095 1.84865 -52.89890 521.22040
6665.0000 -54.06009 -52.95587 1.10422 1.82720 -53.07236 490.61967
6670.0000 -54.74292 -52.85543 1.88749 1.84610 -52.91954 520.60936
6675.0000 -54.49759 -52.90805 1.58954 1.85399 -52.85570 540.03452
6680.0000 -54.74800 -52.95332 1.79468 1.82869 -53.06030 486.43448
6685.0000 -54.57283 -52.96060 1.61223 1.86191 -52.79167 527.44224
6690.0000 -54.26282 -52.54961 1.71322 1.83742 -52.98972 494.33329
6695.0000 -54.40076 -52.59250 1.80826 1.91052 -52.39851 597.84754
6700.0000 -53.43978 -52.17283 1.26694 1.90468 -52.44572 560.70745
6705.0000 -54.37533 -53.25278 1.12255 1.86697 -52.75071 511.25042
6710.0000 -54.39657 -52.62304 1.77353 1.87123 -52.71625 514.40501
6715.0000 -54.28532 -52.76098 1.52434 1.87759 -52.66485 568.30495
6720.0000 -54.42722 -52.72908 1.69815 1.88701 -52.58868 567.84586
6725.0000 -54.23300 -52.70152 1.53148 1.82382 -53.09970 490.06677
6730.0000 -54.23407 -52.38755 1.84651 1.88759 -52.58397 530.50778
6735.0000 -54.39434 -52.67220 1.72214 1.89756 -52.50333 566.41587
6740.0000 -54.60065 -53.07207 1.52858 1.85556 -52.84300 520.47296
6745.0000 -54.36647 -52.97701 1.38946 1.85468 -52.85014 551.62393
6750.0000 -54.19894 -52.59894 1.60000 1.83863 -52.97996 509.86043
FREEZING PROCESS: loop number 28 T-loop= 524.00000000000000
main_MD> interactions number 28 at Temperature= 524.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.61437 2.63141 2.16847
force_rgl> df(natom) -1.67943 -1.13548 -0.38799
6755.0000 -54.10031 -52.50571 1.59459 1.90411 -52.45033 585.36400
6760.0000 -54.25846 -52.47420 1.78426 1.91817 -52.33666 598.52694
6765.0000 -54.76457 -52.66146 2.10311 1.90131 -52.47298 595.12974
6770.0000 -54.49959 -52.91246 1.58713 1.86657 -52.75398 565.11337
6775.0000 -54.34909 -52.54206 1.80703 1.86864 -52.73719 549.92536
6780.0000 -54.22523 -52.72131 1.50392 1.87515 -52.68461 541.27771
6785.0000 -54.53835 -52.73899 1.79935 1.89482 -52.52553 548.01259
6790.0000 -54.33073 -52.43576 1.89497 1.83308 -53.02481 492.78654
6795.0000 -54.18398 -52.91200 1.27198 1.87665 -52.67246 572.31631
6800.0000 -54.28532 -52.39358 1.89174 1.90755 -52.42256 570.70853
6805.0000 -53.93539 -52.15585 1.77955 1.89698 -52.50801 601.40118
6810.0000 -54.35784 -52.52540 1.83244 1.89789 -52.50062 573.98426
6815.0000 -54.20050 -52.67434 1.52617 1.90978 -52.40448 585.13208
6820.0000 -54.59211 -52.76100 1.83111 1.82596 -53.08239 507.77947
6825.0000 -54.57001 -53.03179 1.53822 1.83354 -53.02109 502.64689
6830.0000 -54.65879 -53.40598 1.25281 1.82497 -53.09041 478.15800
6835.0000 -54.62290 -53.37057 1.25233 1.79259 -53.35225 442.75584
6840.0000 -54.51536 -52.97342 1.54194 1.85179 -52.87353 534.95912
6845.0000 -54.27280 -52.57037 1.70243 1.86892 -52.73492 553.44654
6850.0000 -54.30958 -53.11861 1.19096 1.84440 -52.93331 509.29080
6855.0000 -54.67863 -53.05651 1.62212 1.82969 -53.05221 500.72515
6860.0000 -54.21019 -52.41075 1.79944 1.83984 -52.97015 530.32719
6865.0000 -54.06611 -52.86859 1.19753 1.88704 -52.58839 533.20333
6870.0000 -54.10885 -52.71296 1.39588 1.83105 -53.04127 494.86583
6875.0000 -54.12681 -52.25779 1.86901 1.89929 -52.48933 612.64671
6880.0000 -54.16470 -52.02911 2.13559 1.95274 -52.05709 627.19230
6885.0000 -54.31531 -52.65336 1.66195 1.94661 -52.10664 614.04880
6890.0000 -53.85757 -52.12212 1.73545 1.96480 -51.95956 658.95628
6895.0000 -54.55240 -52.72661 1.82578 1.93919 -52.16666 594.13097
6900.0000 -54.56885 -52.61531 1.95355 1.87438 -52.69082 591.53668
6905.0000 -53.90682 -52.28429 1.62253 1.90390 -52.45206 568.29090
6910.0000 -54.20264 -52.48135 1.72129 1.90068 -52.47809 572.90986
6915.0000 -54.75122 -52.90975 1.84147 1.86945 -52.73067 561.63442
6920.0000 -54.55698 -53.07039 1.48659 1.83701 -52.99300 523.01006
6925.0000 -54.35661 -52.77545 1.58116 1.81804 -53.14647 489.19394
6930.0000 -54.66912 -52.94547 1.72365 1.84048 -52.96500 508.05547
6935.0000 -54.18054 -52.52708 1.65346 1.86794 -52.74285 551.44277
6940.0000 -54.55671 -52.99769 1.55903 1.86751 -52.74635 566.02769
6945.0000 -54.11710 -52.25437 1.86274 1.87614 -52.67655 562.67395
6950.0000 -54.23968 -51.82545 2.41423 1.93654 -52.18807 645.47087
6955.0000 -54.64699 -53.11973 1.52726 1.90285 -52.46054 573.21370
6960.0000 -54.19667 -53.15482 1.04185 1.84162 -52.95574 527.99900
6965.0000 -54.59907 -52.97963 1.61943 1.78771 -53.39176 469.44204
6970.0000 -54.68716 -52.63638 2.05078 1.87264 -52.70486 541.65579
6975.0000 -54.77840 -53.17166 1.60674 1.83934 -52.97416 538.56841
6980.0000 -54.69653 -53.30942 1.38711 1.78907 -53.38077 433.64972
6985.0000 -54.64160 -53.07602 1.56559 1.80747 -53.23197 476.81242
6990.0000 -54.65453 -53.12811 1.52642 1.83691 -52.99385 499.05303
6995.0000 -54.37402 -52.73150 1.64252 1.87703 -52.66936 571.68111
7000.0000 -54.51561 -52.66230 1.85331 1.90406 -52.45075 580.89192
FREEZING PROCESS: loop number 29 T-loop= 499.00000000000000
main_MD> interactions number 29 at Temperature= 499.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39293 -0.26692 -0.47499
force_rgl> df(natom) -4.39462 1.13019 -2.32134
7005.0000 -54.19882 -52.60746 1.59136 1.84892 -52.89670 541.63729
7010.0000 -54.32099 -52.86416 1.45683 1.84935 -52.89324 509.19076
7015.0000 -54.57676 -53.26635 1.31040 1.83517 -53.00794 478.19967
7020.0000 -54.78866 -53.01170 1.77696 1.82734 -53.07120 534.70499
7025.0000 -55.24353 -53.98497 1.25857 1.80948 -53.21572 473.67251
7030.0000 -54.83180 -53.60072 1.23109 1.75777 -53.63387 435.67032
7035.0000 -54.71741 -53.68609 1.03131 1.77720 -53.47678 451.21428
7040.0000 -54.81943 -53.40916 1.41027 1.78945 -53.37771 454.75182
7045.0000 -54.78075 -53.28819 1.49256 1.79548 -53.32893 449.19961
7050.0000 -54.80561 -53.71223 1.09337 1.78809 -53.38868 443.85000
7055.0000 -54.64961 -52.90296 1.74665 1.78343 -53.42634 453.72396
7060.0000 -54.41854 -53.20215 1.21639 1.83019 -53.04822 513.02434
7065.0000 -54.70617 -53.01572 1.69044 1.80138 -53.28121 469.41673
7070.0000 -54.67290 -53.33502 1.33789 1.80298 -53.26823 489.65089
7075.0000 -54.52780 -53.07767 1.45013 1.78232 -53.43536 453.97770
7080.0000 -54.76238 -53.24658 1.51580 1.85385 -52.85681 541.31489
7085.0000 -54.45596 -53.12731 1.32865 1.78166 -53.44069 425.23411
7090.0000 -54.34852 -53.06626 1.28226 1.83132 -53.03905 504.76861
7095.0000 -54.91404 -53.16478 1.74927 1.80586 -53.24494 479.74216
7100.0000 -54.44427 -52.91518 1.52909 1.79710 -53.31579 441.30628
7105.0000 -54.07050 -52.81043 1.26007 1.84267 -52.94729 510.18033
7110.0000 -54.59829 -53.19762 1.40067 1.83599 -53.00131 525.58177
7115.0000 -54.58126 -53.23069 1.35057 1.81275 -53.18924 504.42530
7120.0000 -53.77237 -51.91920 1.85317 1.89555 -52.51961 571.37393
7125.0000 -54.44231 -52.92281 1.51949 1.88276 -52.62304 543.47420
7130.0000 -54.41525 -53.12751 1.28774 1.82726 -53.07187 507.26773
7135.0000 -54.69582 -53.31778 1.37804 1.84238 -52.94961 530.20857
7140.0000 -54.95864 -53.84984 1.10880 1.74146 -53.76583 402.95882
7145.0000 -54.80419 -53.00037 1.80382 1.78306 -53.42933 468.71731
7150.0000 -54.62275 -52.92293 1.69982 1.80838 -53.22459 488.70050
7155.0000 -54.32538 -52.93396 1.39142 1.83755 -52.98866 508.34150
7160.0000 -54.07978 -52.52445 1.55533 1.84102 -52.96060 500.54972
7165.0000 -54.57995 -53.25056 1.32939 1.86395 -52.77516 555.53353
7170.0000 -54.16251 -52.78560 1.37691 1.85342 -52.86035 545.96378
7175.0000 -54.52976 -53.13031 1.39945 1.82867 -53.06049 509.82778
7180.0000 -54.43133 -52.86560 1.56573 1.80174 -53.27832 464.99099
7185.0000 -54.83621 -53.24969 1.58652 1.82308 -53.10571 487.90402
7190.0000 -54.98023 -53.67271 1.30752 1.76938 -53.53997 444.83533
7195.0000 -54.98562 -53.39367 1.59195 1.77903 -53.46193 461.60585
7200.0000 -54.51245 -53.49142 1.02103 1.77009 -53.53426 450.46416
7205.0000 -54.55463 -53.21868 1.33595 1.78232 -53.43534 449.74079
7210.0000 -54.56784 -53.45228 1.11556 1.78974 -53.37538 465.12017
7215.0000 -54.55892 -53.04304 1.51589 1.83622 -52.99946 518.37770
7220.0000 -54.69458 -53.36660 1.32798 1.79466 -53.33553 473.59667
7225.0000 -54.29489 -52.59840 1.69649 1.84798 -52.90435 514.13208
7230.0000 -54.26521 -53.07700 1.18822 1.85018 -52.88650 518.19815
7235.0000 -54.96917 -53.41024 1.55893 1.79237 -53.35407 465.59394
7240.0000 -54.54126 -52.74475 1.79651 1.84498 -52.92859 527.54111
7245.0000 -54.63307 -52.97885 1.65422 1.86868 -52.73688 541.42119
7250.0000 -54.49231 -53.22291 1.26940 1.80908 -53.21894 474.29935
FREEZING PROCESS: loop number 30 T-loop= 474.00000000000000
main_MD> interactions number 30 at Temperature= 474.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70596 -1.82223 0.87894
force_rgl> df(natom) 0.82405 2.01358 1.83780
7255.0000 -54.38727 -52.96307 1.42420 1.80805 -53.22726 478.75522
7260.0000 -54.48682 -53.03015 1.45667 1.86354 -52.77846 508.66493
7265.0000 -54.83334 -53.68414 1.14920 1.76863 -53.54604 412.03156
7270.0000 -54.92985 -53.33087 1.59898 1.77123 -53.52502 411.43362
7275.0000 -54.60287 -53.20163 1.40123 1.78670 -53.39992 421.06223
7280.0000 -54.48027 -53.30592 1.17435 1.82693 -53.07456 472.93577
7285.0000 -54.62807 -53.36627 1.26180 1.81171 -53.19769 461.19856
7290.0000 -55.14720 -53.63014 1.51706 1.78248 -53.43404 438.05944
7295.0000 -54.89224 -54.01969 0.87255 1.75548 -53.65241 399.44800
7300.0000 -54.89933 -53.75943 1.13989 1.71477 -53.98167 351.70981
7305.0000 -55.06849 -53.91118 1.15731 1.76982 -53.53646 424.65657
7310.0000 -54.77398 -53.88043 0.89355 1.74947 -53.70101 412.78149
7315.0000 -54.64114 -53.57207 1.06907 1.75748 -53.63624 392.76470
7320.0000 -54.68838 -53.25622 1.43217 1.80894 -53.22004 472.88654
7325.0000 -54.58431 -52.93423 1.65008 1.84755 -52.90780 518.59986
7330.0000 -54.63801 -53.29557 1.34243 1.82378 -53.09999 499.09763
7335.0000 -54.84152 -53.45876 1.38277 1.75346 -53.66879 424.83389
7340.0000 -54.68952 -53.19059 1.49893 1.79972 -53.29463 484.54103
7345.0000 -54.96276 -53.84187 1.12089 1.80431 -53.25746 480.80273
7350.0000 -55.24362 -54.07292 1.17070 1.72283 -53.91645 385.58645
7355.0000 -54.52993 -53.29799 1.23193 1.76952 -53.53888 431.54962
7360.0000 -54.70861 -53.31046 1.39815 1.81405 -53.17875 502.83772
7365.0000 -54.99803 -53.55648 1.44156 1.77939 -53.45905 464.44132
7370.0000 -55.13766 -53.57868 1.55898 1.73912 -53.78477 403.31507
7375.0000 -54.41991 -53.42983 0.99008 1.78000 -53.45414 462.88553
7380.0000 -54.52909 -53.25241 1.27668 1.81828 -53.14455 480.95341
7385.0000 -54.87452 -53.32889 1.54563 1.80452 -53.25577 464.84066
7390.0000 -55.10935 -53.64895 1.46040 1.81061 -53.20653 481.20826
7395.0000 -55.02903 -53.47580 1.55323 1.78957 -53.37675 471.17231
7400.0000 -54.77164 -53.21287 1.55877 1.79309 -53.34821 447.50091
7405.0000 -54.29140 -53.33061 0.96080 1.82945 -53.05417 492.69252
7410.0000 -54.78933 -53.56550 1.22383 1.77237 -53.51586 413.45048
7415.0000 -54.92778 -53.47158 1.45620 1.78062 -53.44911 457.55252
7420.0000 -54.49302 -53.30499 1.18803 1.81541 -53.16776 474.07474
7425.0000 -54.83420 -53.62140 1.21280 1.76126 -53.60569 413.96643
7430.0000 -54.35728 -53.09338 1.26390 1.79859 -53.30379 451.36442
7435.0000 -54.24386 -52.87748 1.36638 1.81816 -53.14545 494.92717
7440.0000 -54.62225 -53.20366 1.41859 1.79418 -53.33943 459.37669
7445.0000 -54.83365 -53.24539 1.58826 1.80608 -53.24322 493.10546
7450.0000 -54.46453 -53.64088 0.82364 1.78387 -53.42278 476.75646
7455.0000 -54.43121 -53.33497 1.09624 1.76242 -53.59628 399.08267
7460.0000 -54.81483 -53.30877 1.50606 1.80828 -53.22542 462.79620
7465.0000 -54.74298 -53.73693 1.00606 1.76184 -53.60096 425.23590
7470.0000 -55.09165 -53.89067 1.20098 1.73670 -53.80433 398.30655
7475.0000 -55.09203 -53.68702 1.40502 1.73579 -53.81167 408.50755
7480.0000 -54.71496 -53.59368 1.12128 1.71907 -53.94685 387.56927
7485.0000 -54.95738 -53.41269 1.54469 1.78434 -53.41902 477.32170
7490.0000 -54.96037 -53.35092 1.60945 1.80753 -53.23149 493.18391
7495.0000 -54.51350 -52.89771 1.61580 1.82367 -53.10090 496.83018
7500.0000 -54.53092 -53.08048 1.45044 1.83351 -53.02134 463.51884
FREEZING PROCESS: loop number 31 T-loop= 449.00000000000000
main_MD> interactions number 31 at Temperature= 449.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38904 2.68704 -0.45506
force_rgl> df(natom) -4.43119 -2.36515 2.99483
7505.0000 -54.48712 -53.00929 1.47783 1.82799 -53.06601 469.87789
7510.0000 -54.45325 -53.04436 1.40889 1.86548 -52.76281 509.02220
7515.0000 -54.37767 -53.30579 1.07189 1.81884 -53.13998 484.23875
7520.0000 -54.67118 -53.23631 1.43487 1.80575 -53.24585 516.62788
7525.0000 -54.50002 -53.30709 1.19293 1.79589 -53.32558 470.85179
7530.0000 -54.40339 -52.90429 1.49910 1.81586 -53.16406 518.55488
7535.0000 -54.56978 -53.08742 1.48236 1.83775 -52.98708 516.61113
7540.0000 -54.64099 -53.46485 1.17615 1.78457 -53.41718 434.79253
7545.0000 -54.91958 -53.53861 1.38097 1.77558 -53.48985 452.80757
7550.0000 -54.78593 -53.53826 1.24767 1.76322 -53.58985 431.50054
7555.0000 -54.82295 -53.25402 1.56894 1.78249 -53.43400 434.68382
7560.0000 -55.05402 -53.81392 1.24010 1.78846 -53.38567 462.02450
7565.0000 -54.70337 -53.25006 1.45331 1.78149 -53.44209 467.62246
7570.0000 -55.15205 -53.61150 1.54055 1.78146 -53.44228 447.44665
7575.0000 -54.94802 -53.54829 1.39973 1.78936 -53.37842 466.09292
7580.0000 -54.19255 -52.72032 1.47223 1.79418 -53.33942 459.96352
7585.0000 -54.61368 -52.75380 1.85988 1.84933 -52.89339 484.09588
7590.0000 -54.75676 -53.35216 1.40461 1.82783 -53.06730 525.16090
7595.0000 -54.95592 -53.86961 1.08631 1.78086 -53.44718 479.02158
7600.0000 -54.87011 -53.45057 1.41954 1.74660 -53.72426 408.74929
7605.0000 -54.29721 -52.42332 1.87389 1.83203 -53.03329 501.75688
7610.0000 -55.02518 -53.61529 1.40989 1.81551 -53.16695 464.79318
7615.0000 -54.40607 -53.42257 0.98350 1.78819 -53.38790 449.84505
7620.0000 -54.33643 -53.33173 1.00469 1.77347 -53.50694 429.48399
7625.0000 -54.60587 -53.21390 1.39197 1.79333 -53.34628 457.16969
7630.0000 -54.65075 -52.59469 2.05607 1.85771 -52.82558 530.55598
7635.0000 -54.70571 -53.55883 1.14688 1.83088 -53.04264 497.68057
7640.0000 -54.95601 -53.41025 1.54576 1.78301 -53.42975 464.06768
7645.0000 -54.97639 -53.26287 1.71353 1.80575 -53.24585 475.85487
7650.0000 -54.75906 -53.82590 0.93317 1.77330 -53.50831 428.81707
7655.0000 -54.82886 -53.59579 1.23307 1.73359 -53.82942 381.68388
7660.0000 -54.69497 -53.20688 1.48810 1.77995 -53.45452 450.37917
7665.0000 -55.11859 -53.77897 1.33962 1.77352 -53.50651 434.36449
7670.0000 -54.67222 -53.33624 1.33598 1.76392 -53.58417 442.94441
7675.0000 -54.69613 -53.29776 1.39837 1.78436 -53.41882 463.56420
7680.0000 -55.08072 -54.06644 1.01427 1.75995 -53.61630 422.67229
7685.0000 -54.82615 -53.51876 1.30739 1.75331 -53.66994 411.22511
7690.0000 -54.96496 -53.60121 1.36375 1.75706 -53.63968 406.97477
7695.0000 -54.55423 -52.92886 1.62537 1.80530 -53.24951 482.33357
7700.0000 -54.44040 -53.22837 1.21203 1.79911 -53.29954 449.02640
7705.0000 -54.57455 -52.96706 1.60750 1.80890 -53.22035 486.79000
7710.0000 -54.74177 -52.83690 1.90487 1.82011 -53.12970 485.95181
7715.0000 -54.88381 -53.76066 1.12315 1.77625 -53.48444 444.60219
7720.0000 -54.77720 -53.42031 1.35689 1.74205 -53.76106 392.45422
7725.0000 -54.42772 -53.05142 1.37630 1.82196 -53.11472 494.09273
7730.0000 -54.44395 -52.95179 1.49216 1.86111 -52.79811 548.50178
7735.0000 -54.60233 -53.34841 1.25391 1.82763 -53.06892 493.42339
7740.0000 -54.64090 -53.61433 1.02656 1.74798 -53.71306 391.11343
7745.0000 -54.98625 -53.67358 1.31266 1.75404 -53.66404 420.45334
7750.0000 -54.76649 -53.70848 1.05801 1.76990 -53.53583 418.67988
FREEZING PROCESS: loop number 32 T-loop= 424.00000000000000
main_MD> interactions number 32 at Temperature= 424.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63581 -0.48326 -0.27163
force_rgl> df(natom) -0.37398 2.02742 0.87814
7755.0000 -54.78411 -53.39515 1.38896 1.79088 -53.36611 450.82942
7760.0000 -55.20297 -54.28153 0.92145 1.73747 -53.79804 383.22207
7765.0000 -54.96000 -53.93118 1.02882 1.69204 -54.16552 350.06699
7770.0000 -55.08787 -54.18760 0.90027 1.69903 -54.10893 329.89382
7775.0000 -54.89212 -53.41032 1.48180 1.72831 -53.87214 368.12331
7780.0000 -54.76705 -53.72137 1.04568 1.77515 -53.49334 449.64824
7785.0000 -54.93944 -53.68722 1.25222 1.72491 -53.89961 371.02769
7790.0000 -54.71239 -53.45079 1.26159 1.76779 -53.55284 423.56800
7795.0000 -55.10676 -54.05688 1.04989 1.74551 -53.73304 396.09930
7800.0000 -54.74027 -53.28902 1.45125 1.76209 -53.59898 412.25025
7805.0000 -55.11059 -53.86448 1.24610 1.78470 -53.41612 446.73610
7810.0000 -54.49353 -53.36022 1.13331 1.78205 -53.43752 452.87110
7815.0000 -54.69945 -53.39918 1.30027 1.79993 -53.29295 463.68651
7820.0000 -54.96551 -53.67061 1.29490 1.79268 -53.35156 449.00379
7825.0000 -54.62041 -53.56536 1.05505 1.76823 -53.54930 371.07458
7830.0000 -54.71641 -53.26664 1.44977 1.78764 -53.39235 400.72434
7835.0000 -54.44266 -53.18899 1.25367 1.78386 -53.42292 410.71537
7840.0000 -54.80382 -53.48717 1.31665 1.78482 -53.41510 418.93889
7845.0000 -54.69143 -53.16202 1.52940 1.81307 -53.18663 468.32641
7850.0000 -54.68795 -53.42572 1.26223 1.81666 -53.15760 469.03994
7855.0000 -54.58874 -53.52324 1.06550 1.76161 -53.60286 408.68728
7860.0000 -54.66320 -53.58726 1.07594 1.77381 -53.50414 436.13898
7865.0000 -54.61906 -53.57670 1.04237 1.73837 -53.79077 390.20166
7870.0000 -55.13537 -53.99532 1.14006 1.74531 -53.73471 410.74985
7875.0000 -54.99874 -53.91138 1.08736 1.72173 -53.92533 381.83309
7880.0000 -54.59131 -53.23502 1.35629 1.75312 -53.67148 423.34693
7885.0000 -54.30245 -52.79112 1.51133 1.83478 -53.01107 510.16038
7890.0000 -55.27034 -54.12332 1.14702 1.80106 -53.28382 470.22485
7895.0000 -55.04825 -53.96566 1.08259 1.70491 -54.06140 359.87681
7900.0000 -54.95881 -53.69378 1.26503 1.75184 -53.68188 411.57541
7905.0000 -54.95422 -53.87819 1.07604 1.74488 -53.73813 392.06041
7910.0000 -54.68479 -53.36053 1.32427 1.75300 -53.67248 393.07190
7915.0000 -54.67841 -53.74930 0.92911 1.75048 -53.69284 396.99638
7920.0000 -54.99539 -53.72865 1.26675 1.75383 -53.66574 427.92985
7925.0000 -55.18316 -54.11775 1.06541 1.72363 -53.90999 395.39131
7930.0000 -54.51412 -52.84600 1.66812 1.78440 -53.41852 462.28056
7935.0000 -55.08850 -53.62955 1.45896 1.79385 -53.34212 466.76389
7940.0000 -54.45005 -52.76449 1.68556 1.81316 -53.18596 504.62553
7945.0000 -54.53048 -53.32719 1.20329 1.81064 -53.20628 479.93731
7950.0000 -54.73451 -53.36012 1.37439 1.81421 -53.17740 446.87127
7955.0000 -54.90654 -53.77435 1.13219 1.77565 -53.48926 429.17361
7960.0000 -54.79911 -53.44567 1.35344 1.75688 -53.64109 420.71841
7965.0000 -54.63099 -53.24542 1.38557 1.81358 -53.18256 472.20584
7970.0000 -54.68412 -53.23947 1.44466 1.77185 -53.52004 431.83511
7975.0000 -54.63740 -53.37241 1.26498 1.79784 -53.30982 475.89139
7980.0000 -54.69525 -53.70680 0.98844 1.77015 -53.53375 429.19229
7985.0000 -54.87301 -53.62417 1.24884 1.75927 -53.62178 415.40186
7990.0000 -54.60689 -53.33255 1.27434 1.77019 -53.53341 443.08165
7995.0000 -54.57952 -53.32060 1.25892 1.81320 -53.18557 480.00063
8000.0000 -55.16428 -54.06027 1.10401 1.76950 -53.53904 442.03432
FREEZING PROCESS: loop number 33 T-loop= 399.00000000000000
main_MD> interactions number 33 at Temperature= 399.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31985 1.95580 1.20049
force_rgl> df(natom) -0.30505 -1.60422 -3.31598
8005.0000 -55.15320 -53.97824 1.17496 1.71075 -54.01416 367.34684
8010.0000 -55.16861 -53.80934 1.35927 1.71525 -53.97775 363.73159
8015.0000 -55.27099 -54.11817 1.15282 1.71736 -53.96074 391.20707
8020.0000 -55.06424 -53.89490 1.16934 1.69817 -54.11589 356.37592
8025.0000 -55.17212 -53.92914 1.24298 1.72887 -53.86761 379.00916
8030.0000 -55.06496 -53.99255 1.07241 1.71371 -53.99025 367.76040
8035.0000 -54.99419 -53.99755 0.99664 1.73768 -53.79634 396.23940
8040.0000 -55.22770 -53.87137 1.35633 1.71494 -53.98025 369.42032
8045.0000 -55.16809 -53.97810 1.18999 1.72021 -53.93765 374.89831
8050.0000 -55.34590 -54.05055 1.29535 1.70582 -54.05402 371.83876
8055.0000 -54.98335 -54.03622 0.94713 1.71002 -54.02008 355.01892
8060.0000 -55.10374 -54.21009 0.89365 1.68987 -54.18301 338.02107
8065.0000 -54.86631 -53.92684 0.93947 1.72200 -53.92321 389.11724
8070.0000 -54.53055 -52.90475 1.62581 1.80800 -53.22765 497.14329
8075.0000 -54.76305 -53.23659 1.52646 1.84096 -52.96106 517.82476
8080.0000 -54.72297 -53.75760 0.96537 1.75931 -53.62143 409.89795
8085.0000 -54.95577 -53.78044 1.17533 1.73256 -53.83776 390.55967
8090.0000 -55.20039 -54.15790 1.04250 1.72960 -53.86174 379.97212
8095.0000 -55.06486 -53.82425 1.24061 1.69497 -54.14180 346.33091
8100.0000 -54.82355 -53.42711 1.39644 1.78005 -53.45370 449.78652
8105.0000 -55.16282 -53.66305 1.49977 1.77021 -53.53329 438.36196
8110.0000 -54.90058 -53.59514 1.30544 1.73975 -53.77963 399.43270
8115.0000 -55.12452 -54.21823 0.90629 1.71149 -54.00817 378.39955
8120.0000 -55.17448 -54.20957 0.96490 1.67875 -54.27294 337.96212
8125.0000 -54.98081 -53.55609 1.42472 1.70283 -54.07826 370.29421
8130.0000 -54.72826 -53.67488 1.05338 1.76169 -53.60219 430.71956
8135.0000 -54.67072 -53.54910 1.12162 1.74110 -53.76868 410.87219
8140.0000 -54.84202 -53.76506 1.07696 1.73487 -53.81911 403.50857
8145.0000 -54.43936 -53.46258 0.97678 1.76921 -53.54135 437.29550
8150.0000 -54.94021 -53.71308 1.22713 1.75375 -53.66644 416.71783
8155.0000 -54.65621 -53.10288 1.55333 1.78458 -53.41706 450.04113
8160.0000 -54.30031 -53.04592 1.25439 1.80350 -53.26408 483.19152
8165.0000 -54.95230 -53.61843 1.33387 1.79927 -53.29823 447.85410
8170.0000 -55.15264 -54.07768 1.07497 1.71668 -53.96624 366.52768
8175.0000 -54.50570 -53.43383 1.07187 1.72859 -53.86993 382.79651
8180.0000 -55.07674 -53.71146 1.36528 1.79690 -53.31744 486.43743
8185.0000 -55.33440 -53.87004 1.46436 1.71631 -53.96924 386.83225
8190.0000 -55.09534 -53.59038 1.50496 1.72463 -53.90196 397.26125
8195.0000 -55.21665 -54.19739 1.01926 1.71007 -54.01969 370.77442
8200.0000 -55.22182 -54.02376 1.19806 1.72336 -53.91222 368.99535
8205.0000 -55.01412 -53.84930 1.16482 1.70791 -54.03717 370.93124
8210.0000 -54.96835 -53.89041 1.07795 1.72338 -53.91204 388.85444
8215.0000 -54.82243 -53.75018 1.07226 1.75047 -53.69291 458.79293
8220.0000 -55.32690 -53.94582 1.38108 1.74252 -53.75719 426.97461
8225.0000 -55.13272 -53.63391 1.49881 1.72392 -53.90769 380.38655
8230.0000 -55.01685 -53.81063 1.20623 1.73610 -53.80912 400.16736
8235.0000 -55.00728 -53.99219 1.01509 1.71442 -53.98453 373.57261
8240.0000 -54.98680 -54.07479 0.91202 1.71858 -53.95082 386.46254
8245.0000 -55.37666 -54.33226 1.04439 1.66587 -54.37713 290.77691
8250.0000 -55.16776 -54.12728 1.04047 1.70844 -54.03286 366.70464
FREEZING PROCESS: loop number 34 T-loop= 374.00000000000000
main_MD> interactions number 34 at Temperature= 374.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45286 1.01944 0.13884
force_rgl> df(natom) -0.85122 -1.72449 -0.95132
8255.0000 -54.92731 -53.90181 1.02551 1.71305 -53.99558 372.39933
8260.0000 -55.41642 -54.18994 1.22647 1.71958 -53.94275 380.11193
8265.0000 -55.40410 -54.17560 1.22850 1.72361 -53.91017 393.39833
8270.0000 -54.66727 -53.31958 1.34769 1.77106 -53.52641 433.82254
8275.0000 -54.82599 -53.46937 1.35661 1.77313 -53.50964 464.38548
8280.0000 -54.75510 -53.51588 1.23922 1.75585 -53.64946 416.23942
8285.0000 -54.79049 -53.63589 1.15460 1.75979 -53.61757 434.93031
8290.0000 -54.99609 -53.75592 1.24017 1.74127 -53.76732 419.82214
8295.0000 -55.08081 -54.21021 0.87060 1.73423 -53.82424 416.49276
8300.0000 -55.05903 -54.03922 1.01980 1.69486 -54.14268 347.29429
8305.0000 -54.96101 -53.72151 1.23950 1.71662 -53.96667 379.02832
8310.0000 -54.91154 -53.80450 1.10704 1.74194 -53.76192 381.93711
8315.0000 -54.76744 -53.61989 1.14755 1.75214 -53.67945 404.96034
8320.0000 -54.64979 -53.56084 1.08896 1.75004 -53.69642 416.95206
8325.0000 -55.44126 -54.64984 0.79142 1.70566 -54.05531 371.89554
8330.0000 -55.23488 -54.00539 1.22949 1.66687 -54.36906 312.10070
8335.0000 -55.03583 -53.94007 1.09576 1.71878 -53.94920 385.75800
8340.0000 -55.26947 -53.95020 1.31927 1.70769 -54.03894 372.62566
8345.0000 -55.11678 -53.98062 1.13616 1.74101 -53.76942 401.12180
8350.0000 -55.38658 -54.27893 1.10765 1.70700 -54.04454 365.52505
8355.0000 -55.23871 -53.93345 1.30526 1.69566 -54.13618 355.29888
8360.0000 -54.65004 -53.59770 1.05234 1.74951 -53.70070 401.86636
8365.0000 -55.19315 -54.15620 1.03696 1.74101 -53.76943 393.91038
8370.0000 -55.21217 -54.40997 0.80220 1.69530 -54.13909 357.14187
8375.0000 -55.09392 -54.08252 1.01141 1.68498 -54.22262 345.01929
8380.0000 -54.95107 -53.82474 1.12633 1.73944 -53.78218 419.25152
8385.0000 -55.03749 -54.23423 0.80326 1.68678 -54.20801 343.46343
8390.0000 -55.08169 -54.02936 1.05233 1.71108 -54.01150 372.07350
8395.0000 -55.16107 -53.84049 1.32059 1.69428 -54.14734 367.39243
8400.0000 -55.03865 -53.28635 1.75230 1.75828 -53.62974 442.21970
8405.0000 -55.18015 -54.03591 1.14424 1.73260 -53.83747 394.93616
8410.0000 -54.89199 -53.77227 1.11973 1.71231 -54.00153 377.02970
8415.0000 -55.26562 -54.13230 1.13333 1.69841 -54.11401 363.24665
8420.0000 -55.01467 -53.70259 1.31208 1.72514 -53.89781 375.25691
8425.0000 -55.16510 -53.93706 1.22804 1.72861 -53.86972 357.67318
8430.0000 -54.83359 -53.51516 1.31843 1.73770 -53.79623 388.98974
8435.0000 -55.13371 -54.09720 1.03651 1.74017 -53.77627 402.61593
8440.0000 -54.97199 -53.70709 1.26490 1.71942 -53.94404 375.29050
8445.0000 -55.03942 -53.93971 1.09971 1.73184 -53.84362 407.13194
8450.0000 -54.94060 -54.03065 0.90995 1.71895 -53.94783 377.34751
8455.0000 -55.07265 -54.15547 0.91718 1.68223 -54.24485 313.29461
8460.0000 -54.94180 -53.95235 0.98945 1.71013 -54.01920 361.44783
8465.0000 -55.08969 -54.11838 0.97131 1.71106 -54.01166 363.48110
8470.0000 -55.11863 -54.11233 1.00630 1.70089 -54.09390 356.53473
8475.0000 -54.92117 -53.80957 1.11160 1.69253 -54.16156 352.35421
8480.0000 -55.03498 -54.01141 1.02357 1.71040 -54.01702 363.56807
8485.0000 -55.26298 -54.34901 0.91397 1.70547 -54.05684 363.00709
8490.0000 -55.33880 -54.21235 1.12645 1.68612 -54.21338 337.14126
8495.0000 -55.22053 -54.21263 1.00790 1.68062 -54.25786 343.32382
8500.0000 -54.85094 -53.78400 1.06693 1.71614 -53.97061 369.46069
FREEZING PROCESS: loop number 35 T-loop= 349.00000000000000
main_MD> interactions number 35 at Temperature= 349.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40468 2.52651 -1.64144
force_rgl> df(natom) -0.46636 -0.86434 0.28509
8505.0000 -54.95911 -53.99951 0.95960 1.73484 -53.81934 388.11269
8510.0000 -55.11017 -54.05666 1.05351 1.70618 -54.05114 371.46777
8515.0000 -54.81006 -53.66677 1.14329 1.72810 -53.87382 385.48443
8520.0000 -54.93907 -54.12274 0.81633 1.72886 -53.86768 378.86580
8525.0000 -55.17852 -54.37106 0.80746 1.68517 -54.22107 329.28378
8530.0000 -55.34996 -54.18447 1.16549 1.68647 -54.21056 329.18169
8535.0000 -54.94870 -54.02023 0.92847 1.72310 -53.91427 374.85222
8540.0000 -54.95491 -53.78807 1.16683 1.72233 -53.92054 377.58271
8545.0000 -55.05473 -53.73197 1.32276 1.72288 -53.91610 363.11487
8550.0000 -54.82000 -53.99124 0.82877 1.73277 -53.83611 385.10481
8555.0000 -55.07701 -54.12038 0.95664 1.67111 -54.33478 298.70403
8560.0000 -55.12200 -53.74230 1.37970 1.72448 -53.90317 384.15870
8565.0000 -55.34077 -54.23980 1.10096 1.71599 -53.97182 381.27719
8570.0000 -55.16443 -53.95863 1.20580 1.69331 -54.15521 332.92943
8575.0000 -55.39918 -54.48744 0.91175 1.68494 -54.22289 334.57826
8580.0000 -55.42218 -54.51029 0.91189 1.65282 -54.48268 295.66522
8585.0000 -54.99083 -53.79802 1.19281 1.67920 -54.26931 334.58743
8590.0000 -55.03782 -54.13825 0.89957 1.72565 -53.89370 391.65395
8595.0000 -55.13376 -54.01831 1.11544 1.71987 -53.94043 369.71948
8600.0000 -55.39209 -54.30968 1.08241 1.70378 -54.07058 364.18664
8605.0000 -55.01560 -54.07728 0.93832 1.67626 -54.29310 318.63532
8610.0000 -55.14809 -53.92572 1.22237 1.70252 -54.08073 349.45260
8615.0000 -54.73661 -53.66880 1.06782 1.73305 -53.83384 401.85203
8620.0000 -54.83060 -53.77713 1.05347 1.76121 -53.60605 410.53044
8625.0000 -55.12694 -54.24504 0.88190 1.71488 -53.98079 357.23770
8630.0000 -55.39231 -54.01260 1.37971 1.66439 -54.38915 315.26401
8635.0000 -55.11758 -53.83276 1.28482 1.71913 -53.94636 385.33223
8640.0000 -55.25152 -54.18576 1.06577 1.73264 -53.83711 402.27535
8645.0000 -55.16328 -54.20713 0.95615 1.72105 -53.93086 374.45158
8650.0000 -55.41645 -54.24557 1.17087 1.70149 -54.08905 361.60793
8655.0000 -55.43927 -54.12694 1.31233 1.68938 -54.18702 339.89908
8660.0000 -55.17859 -54.31375 0.86484 1.70519 -54.05914 363.53916
8665.0000 -55.04421 -53.93483 1.10938 1.69049 -54.17799 337.49610
8670.0000 -54.87924 -53.74327 1.13596 1.76382 -53.58494 418.08102
8675.0000 -55.15964 -54.12334 1.03630 1.72437 -53.90400 380.19559
8680.0000 -55.11428 -54.43376 0.68052 1.69299 -54.15780 352.51462
8685.0000 -55.22993 -54.22665 1.00328 1.66507 -54.38359 319.88461
8690.0000 -55.11829 -54.17632 0.94197 1.70210 -54.08411 356.84448
8695.0000 -55.02921 -53.74247 1.28674 1.70090 -54.09381 355.64236
8700.0000 -54.94553 -53.84124 1.10430 1.73161 -53.84549 395.51158
8705.0000 -55.15149 -54.00458 1.14691 1.71980 -53.94102 384.61720
8710.0000 -54.91224 -53.94852 0.96371 1.71712 -53.96266 379.97315
8715.0000 -55.42885 -54.47322 0.95563 1.66787 -54.36100 311.96681
8720.0000 -55.40002 -54.48320 0.91682 1.65068 -54.49999 299.79321
8725.0000 -55.29602 -54.39005 0.90597 1.67022 -54.34199 323.74748
8730.0000 -55.27148 -54.14696 1.12452 1.69298 -54.15790 352.96749
8735.0000 -55.36604 -54.12393 1.24211 1.68568 -54.21690 356.10373
8740.0000 -55.21711 -54.28783 0.92929 1.69010 -54.18115 346.87852
8745.0000 -55.42356 -54.29810 1.12546 1.66098 -54.41667 311.47638
8750.0000 -55.36778 -53.92006 1.44771 1.70700 -54.04452 373.97460
FREEZING PROCESS: loop number 36 T-loop= 324.00000000000000
main_MD> interactions number 36 at Temperature= 324.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.00901 -2.14421 0.55440
force_rgl> df(natom) 0.08706 -0.18219 -1.39609
8755.0000 -54.98771 -53.82069 1.16702 1.70677 -54.04638 371.35258
8760.0000 -55.16710 -54.15024 1.01687 1.71421 -53.98623 366.46413
8765.0000 -55.29057 -54.29756 0.99301 1.68051 -54.25874 330.00344
8770.0000 -55.17817 -54.42361 0.75456 1.66958 -54.34714 319.98749
8775.0000 -55.26697 -54.24983 1.01714 1.65156 -54.49289 297.13304
8780.0000 -55.18656 -54.26012 0.92643 1.68672 -54.20854 347.76824
8785.0000 -55.16941 -54.27947 0.88994 1.67392 -54.31200 331.97322
8790.0000 -55.35593 -54.47599 0.87994 1.65537 -54.46210 299.57457
8795.0000 -55.43935 -54.65071 0.78863 1.64941 -54.51027 284.80428
8800.0000 -55.43083 -54.61316 0.81767 1.65521 -54.46333 295.60178
8805.0000 -55.15496 -53.72466 1.43030 1.67987 -54.26390 335.72603
8810.0000 -54.73805 -53.80330 0.93475 1.72159 -53.92651 385.16916
8815.0000 -55.19609 -54.10452 1.09157 1.70480 -54.06228 355.56518
8820.0000 -55.44074 -54.41002 1.03072 1.68026 -54.26080 360.99663
8825.0000 -54.87590 -53.80624 1.06966 1.71577 -53.97358 371.55130
8830.0000 -54.92461 -53.50253 1.42207 1.75346 -53.66879 417.79185
8835.0000 -55.44898 -54.32744 1.12154 1.76251 -53.59557 424.51352
8840.0000 -55.27001 -53.90004 1.36997 1.70997 -54.02049 386.65746
8845.0000 -55.04345 -54.17401 0.86944 1.69559 -54.13677 357.10869
8850.0000 -55.23228 -53.99840 1.23388 1.69751 -54.12125 357.31868
8855.0000 -55.23274 -54.45807 0.77467 1.67871 -54.27328 327.30670
8860.0000 -55.42757 -54.32478 1.10279 1.67927 -54.26878 336.49226
8865.0000 -55.02630 -53.66052 1.36578 1.71525 -53.97778 372.91430
8870.0000 -55.17000 -54.01526 1.15474 1.73753 -53.79755 407.44547
8875.0000 -55.33200 -54.24223 1.08977 1.70679 -54.04624 355.08322
8880.0000 -55.22986 -54.11169 1.11817 1.68622 -54.21259 342.42948
8885.0000 -55.23286 -54.11063 1.12223 1.68858 -54.19351 346.39642
8890.0000 -55.14836 -54.09347 1.05489 1.69643 -54.12996 352.16097
8895.0000 -55.34212 -54.45731 0.88481 1.67187 -54.32865 312.55556
8900.0000 -55.31674 -54.55959 0.75715 1.64335 -54.55928 288.88022
8905.0000 -55.26186 -54.28357 0.97829 1.67677 -54.28898 329.05794
8910.0000 -55.11721 -54.24482 0.87239 1.67413 -54.31035 322.22559
8915.0000 -55.46359 -54.48319 0.98040 1.66819 -54.35840 319.75461
8920.0000 -55.41746 -54.69221 0.72525 1.65407 -54.47257 294.84090
8925.0000 -55.18559 -54.14246 1.04313 1.66202 -54.40832 313.97576
8930.0000 -55.42207 -54.67253 0.74954 1.67124 -54.33370 329.45735
8935.0000 -55.08400 -53.71057 1.37344 1.68986 -54.18315 334.72210
8940.0000 -55.37404 -54.28313 1.09092 1.71333 -53.99334 360.83863
8945.0000 -55.25663 -54.48581 0.77082 1.69219 -54.16429 355.88638
8950.0000 -55.41328 -54.36357 1.04971 1.66419 -54.39074 314.83082
8955.0000 -55.03655 -53.81064 1.22591 1.69366 -54.15235 342.90397
8960.0000 -55.19467 -54.30344 0.89123 1.71316 -53.99468 370.59380
8965.0000 -54.89134 -54.28382 0.60752 1.66614 -54.37497 287.87490
8970.0000 -55.51748 -54.37466 1.14282 1.67647 -54.29138 320.59194
8975.0000 -55.30664 -54.15440 1.15223 1.65503 -54.46483 306.95494
8980.0000 -55.25989 -54.14301 1.11688 1.68347 -54.23483 336.27771
8985.0000 -55.13912 -54.15921 0.97991 1.70196 -54.08527 356.04318
8990.0000 -55.11331 -54.24505 0.86825 1.68790 -54.19900 338.74435
8995.0000 -55.18889 -54.26337 0.92551 1.67346 -54.31578 318.89604
9000.0000 -55.28149 -54.46413 0.81736 1.65053 -54.50124 302.29746
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 12.7044612 [s].
main_MD> Deallocating global variables
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