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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_88/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_88.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 = 88 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 88 8800
main_MD> Size of nv and nvoiz: 88 8800
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 = 88
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> 0.14222285067547347 6.6568981037143260E-002 -5.7274394215563712E-002 initial drift of cluster / NP1 for coalescence
init> 0.32345947813560161 0.33715959613613028 0.30247883930010483 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6186933222082545E-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) 3.69172 -4.96060 0.53995
force_rgl> df(natom) 1.64234 2.98031 1.11612
preparo> THERMALIZATION PROCESS AT 1137.0714664164127
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -196.26024401902873 15.314214763400381 -211.57445878242910 6.7121623392000325E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1111.0000000000000
main_MD> interactions number 1 at Temperature= 1111.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.86127 2.18010 4.39945
force_rgl> df(natom) -1.50936 -2.61149 -1.40324
5.0000 -205.24815 -193.39081 11.85734 3.30179 -194.27614 1195.86565
10.0000 -209.85364 -196.30979 13.54385 3.18399 -196.60676 1147.84251
15.0000 -211.31805 -198.56775 12.75030 3.13412 -197.59338 1121.51946
20.0000 -215.26042 -203.39002 11.87040 2.93630 -201.50726 999.59911
25.0000 -212.62992 -199.53474 13.09518 2.95974 -201.04344 1004.12587
30.0000 -210.09385 -196.80138 13.29247 3.15877 -197.10574 1128.73973
35.0000 -209.25295 -195.60489 13.64806 3.20675 -196.15652 1183.93381
40.0000 -208.64205 -194.80401 13.83804 3.25860 -195.13076 1188.46790
45.0000 -208.04899 -194.17730 13.87169 3.23072 -195.68236 1197.25590
50.0000 -207.48205 -194.39834 13.08371 3.32694 -193.77858 1215.12442
55.0000 -210.00300 -194.59902 15.40398 3.29261 -194.45776 1193.98993
60.0000 -209.95195 -198.21189 11.74006 3.16165 -197.04873 1138.34149
65.0000 -210.50480 -196.90486 13.59993 3.11046 -198.06152 1107.72319
70.0000 -209.61317 -197.23315 12.38002 3.11561 -197.95976 1090.90572
75.0000 -209.83398 -197.59630 12.23768 3.15205 -197.23870 1104.81557
80.0000 -210.37480 -197.36232 13.01248 3.11704 -197.93141 1090.04006
85.0000 -210.93213 -197.51566 13.41648 3.14370 -197.40393 1136.72903
90.0000 -210.22164 -197.59750 12.62414 3.10031 -198.26242 1088.72605
95.0000 -209.33847 -198.30607 11.03240 3.17069 -196.86997 1133.50534
100.0000 -210.69395 -198.37878 12.31517 3.12698 -197.73472 1120.99321
105.0000 -210.37265 -197.45775 12.91490 3.14169 -197.44380 1074.18443
110.0000 -208.75472 -196.89247 11.86224 3.16172 -197.04751 1147.35443
115.0000 -211.63776 -197.52056 14.11721 3.15581 -197.16433 1129.89658
120.0000 -209.24169 -198.30003 10.94166 3.13125 -197.65027 1138.27316
125.0000 -208.90148 -196.37792 12.52356 3.09604 -198.34692 1084.27167
130.0000 -209.24456 -197.20842 12.03614 3.17274 -196.82932 1127.45000
135.0000 -209.42056 -197.86974 11.55082 3.13760 -197.52455 1090.27910
140.0000 -208.93264 -196.01181 12.92083 3.13822 -197.51233 1071.10284
145.0000 -210.93777 -199.87202 11.06575 3.08529 -198.55945 1069.68575
150.0000 -211.26914 -199.65520 11.61394 3.01761 -199.89848 1062.31812
155.0000 -212.61118 -198.42575 14.18543 3.06363 -198.98802 1058.00606
160.0000 -207.14193 -193.64567 13.49626 3.20156 -196.25929 1148.42802
165.0000 -210.32869 -197.52619 12.80250 3.22812 -195.73377 1161.37879
170.0000 -211.49538 -199.18075 12.31463 3.08058 -198.65265 1099.04816
175.0000 -211.36898 -199.26038 12.10861 3.04953 -199.26701 1067.66255
180.0000 -211.63722 -199.01227 12.62496 3.04263 -199.40356 1076.86913
185.0000 -211.22499 -198.00817 13.21682 3.12625 -197.74919 1097.74181
190.0000 -210.73922 -198.75469 11.98453 3.04293 -199.39752 1035.01701
195.0000 -210.18347 -198.93207 11.25140 3.09971 -198.27427 1100.65385
200.0000 -210.04047 -198.06095 11.97952 3.12758 -197.72280 1089.28204
205.0000 -211.99892 -200.46568 11.53325 3.08171 -198.63031 1068.94192
210.0000 -212.30477 -199.70632 12.59845 2.96708 -200.89819 992.44110
215.0000 -211.32457 -197.90096 13.42360 3.11103 -198.05029 1088.82584
220.0000 -210.84714 -199.09856 11.74858 3.10122 -198.24447 1044.29407
225.0000 -210.02856 -196.29477 13.73379 3.08071 -198.65022 1087.04188
230.0000 -211.61316 -197.50222 14.11094 3.16115 -197.05873 1124.54280
235.0000 -207.70628 -196.55021 11.15607 3.19009 -196.48616 1173.24565
240.0000 -209.60806 -197.74353 11.86453 3.16486 -196.98532 1134.14719
245.0000 -206.97213 -194.46691 12.50521 3.23959 -195.50676 1188.12737
250.0000 -209.77558 -196.70352 13.07206 3.19840 -196.32174 1124.81555
FREEZING PROCESS: loop number 2 T-loop= 1086.0000000000000
main_MD> interactions number 2 at Temperature= 1086.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56470 -0.03744 -1.03398
force_rgl> df(natom) 2.46746 0.40174 -2.59500
255.0000 -206.80414 -194.44596 12.35818 3.21480 -195.99731 1157.67936
260.0000 -211.32589 -197.05526 14.27064 3.23332 -195.63087 1160.01220
265.0000 -209.68181 -196.43535 13.24646 3.20285 -196.23375 1155.88534
270.0000 -207.55591 -193.54484 14.01107 3.29494 -194.41171 1164.85624
275.0000 -209.37834 -197.49906 11.87928 3.25750 -195.15244 1172.29100
280.0000 -209.03729 -197.67235 11.36493 3.11505 -197.97073 1076.40367
285.0000 -211.09274 -199.15849 11.93426 3.12816 -197.71136 1102.86728
290.0000 -211.96946 -199.78737 12.18208 3.00585 -200.13129 1057.96882
295.0000 -210.61301 -197.97056 12.64245 3.02124 -199.82671 1057.38610
300.0000 -207.92922 -196.53163 11.39759 3.10359 -198.19747 1070.58954
305.0000 -210.77743 -197.47886 13.29858 3.13241 -197.62724 1110.61392
310.0000 -209.36855 -195.95725 13.41130 3.20090 -196.27223 1142.58070
315.0000 -211.62953 -197.18509 14.44445 3.08859 -198.49429 1077.52405
320.0000 -214.22575 -203.17585 11.04989 3.05124 -199.23329 1063.49758
325.0000 -212.06334 -199.40032 12.66303 2.98128 -200.61731 1011.18280
330.0000 -210.63812 -198.18379 12.45433 3.10221 -198.22482 1076.80433
335.0000 -211.11584 -199.49353 11.62232 3.09699 -198.32812 1109.25048
340.0000 -210.97289 -199.10868 11.86421 3.07682 -198.72708 1065.12243
345.0000 -210.09439 -197.58614 12.50825 3.06420 -198.97689 1039.70481
350.0000 -208.94518 -197.93132 11.01386 3.11691 -197.93396 1110.67908
355.0000 -211.12358 -199.32817 11.79541 3.11156 -198.03971 1101.08411
360.0000 -207.68511 -195.85727 11.82784 3.12226 -197.82812 1117.12782
365.0000 -212.66125 -200.13763 12.52362 3.09147 -198.43719 1103.60906
370.0000 -213.01125 -201.17278 11.83846 2.96305 -200.97796 1006.35409
375.0000 -211.78246 -199.20462 12.57784 3.03864 -199.48248 1069.18257
380.0000 -211.43967 -198.13128 13.30839 3.09243 -198.41828 1050.42245
385.0000 -208.67886 -194.31694 14.36192 3.15767 -197.12757 1147.93776
390.0000 -209.22677 -197.00882 12.21795 3.23828 -195.53269 1198.82002
395.0000 -209.05946 -196.57078 12.48868 3.19955 -196.29894 1138.75604
400.0000 -209.61036 -195.97884 13.63152 3.21326 -196.02771 1175.48720
405.0000 -210.03512 -197.54645 12.48867 3.14343 -197.40928 1114.51398
410.0000 -211.66659 -199.09848 12.56811 3.11658 -197.94042 1090.13201
415.0000 -211.58239 -199.48919 12.09320 3.07315 -198.79977 1060.48369
420.0000 -211.05270 -199.67843 11.37427 3.06011 -199.05777 1063.38155
425.0000 -211.63350 -199.90664 11.72687 3.01253 -199.99901 1047.39281
430.0000 -212.08122 -198.13353 13.94770 3.03570 -199.54062 1050.50546
435.0000 -211.91881 -198.87306 13.04575 3.12948 -197.68536 1121.11199
440.0000 -209.12655 -196.76506 12.36149 3.08591 -198.54732 1076.39474
445.0000 -210.96951 -197.82772 13.14178 3.11570 -197.95789 1111.59771
450.0000 -210.94786 -196.25505 14.69281 3.16187 -197.04456 1118.14539
455.0000 -209.48469 -197.47730 12.00739 3.15077 -197.26413 1143.16018
460.0000 -209.64153 -197.39786 12.24368 3.08725 -198.52077 1093.57853
465.0000 -208.44857 -194.18004 14.26853 3.17461 -196.79235 1100.73058
470.0000 -209.10789 -197.18327 11.92462 3.22316 -195.83190 1153.16445
475.0000 -209.92034 -197.72717 12.19318 3.11287 -198.01396 1095.85917
480.0000 -210.05433 -197.59402 12.46032 3.17740 -196.73728 1151.85003
485.0000 -212.36684 -199.85745 12.50939 3.12209 -197.83149 1107.60739
490.0000 -210.25560 -198.31025 11.94535 3.04524 -199.35198 1044.42501
495.0000 -209.84617 -196.53272 13.31344 3.15133 -197.25306 1117.21293
500.0000 -208.53704 -196.19004 12.34700 3.21611 -195.97135 1157.10961
FREEZING PROCESS: loop number 3 T-loop= 1061.0000000000000
main_MD> interactions number 3 at Temperature= 1061.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.50297 0.87656 0.99451
force_rgl> df(natom) 0.68422 -0.25640 -2.85287
505.0000 -211.22713 -197.83718 13.38994 3.17304 -196.82339 1130.86370
510.0000 -209.47047 -198.06149 11.40898 3.07845 -198.69479 1089.80623
515.0000 -212.16848 -199.66382 12.50466 3.06252 -199.00996 1067.14348
520.0000 -209.94121 -198.31747 11.62374 3.03417 -199.57088 1063.71564
525.0000 -210.28259 -198.93052 11.35207 3.09631 -198.34156 1093.02580
530.0000 -211.04717 -197.67826 13.36891 3.10976 -198.07545 1107.07183
535.0000 -211.98327 -200.24680 11.73647 3.15659 -197.14897 1112.18053
540.0000 -213.75269 -201.67152 12.08116 3.00711 -200.10624 1011.10272
545.0000 -212.04117 -200.54558 11.49559 3.03189 -199.61608 1050.71639
550.0000 -212.87025 -199.67303 13.19722 2.99821 -200.28246 1013.66949
555.0000 -209.90423 -198.13833 11.76590 3.05604 -199.13823 1076.93387
560.0000 -210.84234 -197.06621 13.77614 3.15926 -197.09605 1099.37322
565.0000 -212.30710 -201.47197 10.83513 3.05230 -199.21213 1079.05091
570.0000 -212.50475 -199.72554 12.77920 2.95685 -201.10070 988.97742
575.0000 -210.88803 -198.73112 12.15691 3.09371 -198.39287 1089.39756
580.0000 -210.85309 -199.59703 11.25606 3.07431 -198.77668 1058.79602
585.0000 -213.96945 -202.77802 11.19143 2.97086 -200.82351 994.86291
590.0000 -211.52634 -197.75822 13.76812 2.98970 -200.45077 1040.73235
595.0000 -212.19538 -200.28114 11.91424 3.05864 -199.08673 1064.54453
600.0000 -211.22998 -198.16084 13.06914 3.03200 -199.61376 1041.01121
605.0000 -210.47923 -197.00778 13.47145 3.14470 -197.38422 1082.08760
610.0000 -210.13824 -197.20273 12.93551 3.24154 -195.46814 1203.05568
615.0000 -210.51589 -198.59080 11.92509 3.11377 -197.99613 1116.17808
620.0000 -210.89921 -198.14018 12.75903 3.14970 -197.28526 1127.83112
625.0000 -210.63060 -198.64855 11.98206 3.06067 -199.04660 1079.30892
630.0000 -209.57524 -196.82563 12.74960 3.13144 -197.64659 1091.74082
635.0000 -210.85377 -198.96950 11.88427 3.12900 -197.69487 1146.27950
640.0000 -211.17628 -198.99902 12.17726 3.05742 -199.11100 1060.34108
645.0000 -208.37487 -197.16158 11.21329 3.10589 -198.15196 1106.76475
650.0000 -210.70942 -199.56924 11.14019 3.10939 -198.08274 1117.76124
655.0000 -209.08335 -195.85188 13.23148 3.14126 -197.45215 1115.49885
660.0000 -209.20421 -196.48625 12.71796 3.13599 -197.55657 1120.62233
665.0000 -209.95581 -196.27049 13.68532 3.16230 -197.03589 1118.26273
670.0000 -208.73381 -195.86207 12.87174 3.19299 -196.42882 1144.55382
675.0000 -211.89416 -198.26833 13.62584 3.18776 -196.53226 1142.35987
680.0000 -212.96096 -200.65411 12.30685 2.99670 -200.31216 1045.91230
685.0000 -212.06881 -199.46461 12.60420 3.05787 -199.10206 1083.00916
690.0000 -213.53418 -203.35585 10.17833 2.89363 -202.35136 979.67504
695.0000 -209.66873 -199.83176 9.83697 2.98414 -200.56076 1043.17683
700.0000 -211.47661 -198.79255 12.68406 3.03604 -199.53395 1042.18640
705.0000 -209.73746 -196.23446 13.50300 3.15024 -197.27446 1125.88552
710.0000 -212.57750 -199.01070 13.56679 3.17549 -196.77499 1156.40167
715.0000 -212.38742 -199.70007 12.68735 3.08071 -198.65023 1097.61424
720.0000 -209.66495 -196.95917 12.70578 3.14090 -197.45926 1099.80180
725.0000 -210.07252 -197.16832 12.90420 3.10663 -198.13734 1103.14152
730.0000 -211.12945 -198.83069 12.29877 3.14795 -197.31993 1134.25030
735.0000 -209.21138 -195.81565 13.39573 3.12465 -197.78090 1094.91906
740.0000 -210.05943 -197.75550 12.30393 3.17059 -196.87193 1116.68344
745.0000 -211.00284 -198.73470 12.26815 3.15030 -197.27343 1099.08695
750.0000 -210.83252 -199.00362 11.82891 3.04735 -199.31021 1047.24382
FREEZING PROCESS: loop number 4 T-loop= 1036.0000000000000
main_MD> interactions number 4 at Temperature= 1036.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.20507 1.57908 1.56597
force_rgl> df(natom) 0.84691 -1.39490 -3.78843
755.0000 -213.87270 -202.07799 11.79471 2.95353 -201.16638 1015.17080
760.0000 -211.92850 -198.60150 13.32700 2.97497 -200.74205 1024.60201
765.0000 -211.43304 -199.55523 11.87781 3.02914 -199.67045 1079.55320
770.0000 -213.37529 -201.39330 11.98200 2.98728 -200.49866 1018.16453
775.0000 -211.87584 -198.99827 12.87757 3.01180 -200.01353 1039.89268
780.0000 -211.74314 -200.90850 10.83464 3.03412 -199.57196 1058.33064
785.0000 -212.38502 -201.56057 10.82445 3.00845 -200.07979 1027.15153
790.0000 -214.05733 -202.24708 11.81024 2.95050 -201.22625 981.17892
795.0000 -211.81655 -199.39665 12.41990 2.90474 -202.13165 972.79379
800.0000 -209.41548 -197.92833 11.48715 3.04750 -199.30717 1070.63252
805.0000 -209.83203 -197.53584 12.29619 3.07189 -198.82470 1112.58469
810.0000 -209.36471 -197.80481 11.55989 3.09315 -198.40401 1078.71782
815.0000 -212.23604 -199.79670 12.43935 3.03090 -199.63559 1046.68547
820.0000 -210.26993 -198.65625 11.61368 3.07309 -198.80091 1077.20064
825.0000 -213.25273 -200.77831 12.47443 2.96622 -200.91518 1016.56817
830.0000 -214.10278 -203.01211 11.09067 2.94055 -201.42315 982.02574
835.0000 -214.75650 -205.12058 9.63592 2.83032 -203.60395 907.67285
840.0000 -213.02627 -201.68925 11.33702 2.85231 -203.16890 964.20676
845.0000 -210.86392 -198.02511 12.83881 3.04816 -199.29404 1070.48593
850.0000 -214.09743 -201.70471 12.39272 3.01256 -199.99845 1038.33320
855.0000 -210.97203 -200.57197 10.40006 2.93093 -201.61351 981.82100
860.0000 -213.35458 -201.75806 11.59652 2.98597 -200.52448 1007.99444
865.0000 -212.89223 -200.85794 12.03429 2.97120 -200.81673 999.91803
870.0000 -209.00204 -196.47001 12.53203 3.07693 -198.72498 1111.33793
875.0000 -211.02743 -198.30791 12.71952 3.15400 -197.20009 1109.83042
880.0000 -210.43153 -199.03771 11.39382 3.07193 -198.82379 1065.43025
885.0000 -212.10169 -201.73480 10.36689 2.98333 -200.57681 1046.29333
890.0000 -212.12452 -199.29065 12.83386 2.99606 -200.32492 1021.78525
895.0000 -211.17948 -200.30362 10.87586 2.98960 -200.45276 1002.22566
900.0000 -211.56540 -200.50711 11.05829 3.00673 -200.11386 1023.64826
905.0000 -209.62011 -198.37966 11.24045 3.07949 -198.67437 1065.30517
910.0000 -210.54042 -199.28014 11.26028 3.12166 -197.84002 1091.94998
915.0000 -211.08577 -197.76027 13.32551 3.10862 -198.09805 1084.64935
920.0000 -211.03792 -198.91798 12.11994 3.11975 -197.87782 1120.15556
925.0000 -210.70000 -197.43646 13.26354 3.08380 -198.58893 1072.49473
930.0000 -212.64802 -198.46299 14.18503 3.10207 -198.22763 1111.11831
935.0000 -213.78772 -202.52461 11.26311 2.91914 -201.84678 995.37411
940.0000 -213.04346 -201.61194 11.43152 2.91786 -201.87196 999.75751
945.0000 -211.35396 -197.55156 13.80240 3.04704 -199.31621 1064.99321
950.0000 -212.27097 -200.03437 12.23659 3.05446 -199.16946 1042.22897
955.0000 -212.76786 -199.96006 12.80781 2.99347 -200.37608 1017.96757
960.0000 -210.28648 -198.11006 12.17643 3.06958 -198.87044 1075.20144
965.0000 -212.03227 -199.72600 12.30626 3.06349 -198.99081 1076.36294
970.0000 -211.40712 -198.97108 12.43604 3.06817 -198.89834 1065.73171
975.0000 -212.92106 -200.63739 12.28366 3.04827 -199.29189 1065.79313
980.0000 -212.08555 -199.60991 12.47563 2.99633 -200.31959 1033.39189
985.0000 -213.10054 -200.74549 12.35505 2.99338 -200.37796 1011.26326
990.0000 -212.36864 -199.61855 12.75009 3.04412 -199.37397 1079.03988
995.0000 -209.44106 -197.85253 11.58853 3.06550 -198.95108 1070.74047
1000.0000 -211.75960 -198.66793 13.09167 3.06136 -199.03303 1102.58736
FREEZING PROCESS: loop number 5 T-loop= 1011.0000000000000
main_MD> interactions number 5 at Temperature= 1011.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68770 2.62310 0.05122
force_rgl> df(natom) 3.27846 2.06632 -2.11140
1005.0000 -212.36209 -199.92026 12.44183 3.00533 -200.14154 1046.01908
1010.0000 -211.55449 -199.53785 12.01664 2.99432 -200.35938 1029.62392
1015.0000 -212.26382 -201.55027 10.71356 3.00494 -200.14914 1042.49394
1020.0000 -214.20701 -202.00380 12.20321 2.86559 -202.90623 953.57861
1025.0000 -213.67896 -202.86554 10.81342 2.90785 -202.07011 959.44405
1030.0000 -210.71551 -199.46891 11.24660 3.01844 -199.88205 1035.34156
1035.0000 -213.63005 -202.23570 11.39435 2.95090 -201.21844 997.29306
1040.0000 -212.31375 -201.65350 10.66025 2.95645 -201.10857 983.92453
1045.0000 -213.72756 -203.19099 10.53657 2.89041 -202.41519 967.40497
1050.0000 -212.36415 -201.56255 10.80160 2.89688 -202.28718 958.85182
1055.0000 -212.80017 -201.88397 10.91620 2.95602 -201.11708 1001.41874
1060.0000 -212.15115 -200.00977 12.14138 2.94569 -201.32152 982.92306
1065.0000 -213.98223 -201.61327 12.36896 2.96723 -200.89519 1032.63660
1070.0000 -211.62320 -201.36712 10.25608 2.92046 -201.82065 969.74015
1075.0000 -212.12042 -201.98613 10.13430 2.88286 -202.56455 940.71679
1080.0000 -211.15365 -199.84551 11.30814 2.98922 -200.46019 1016.30881
1085.0000 -211.44925 -199.51517 11.93408 3.01074 -200.03447 1013.82085
1090.0000 -212.32842 -199.07602 13.25240 3.06431 -198.97465 1083.08507
1095.0000 -209.16906 -198.34594 10.82311 3.12524 -197.76921 1079.67718
1100.0000 -212.04974 -201.41304 10.63671 3.02908 -199.67152 1026.22730
1105.0000 -211.94927 -199.03454 12.91473 2.94889 -201.25805 1034.65065
1110.0000 -212.99237 -202.35877 10.63360 2.98976 -200.44960 1022.74618
1115.0000 -213.21303 -202.49532 10.71771 2.88393 -202.54325 962.03332
1120.0000 -212.72882 -201.92176 10.80707 2.90040 -202.21741 980.66781
1125.0000 -211.50299 -200.78080 10.72220 2.96680 -200.90387 983.62779
1130.0000 -210.49436 -199.66236 10.83200 3.01101 -200.02906 998.51976
1135.0000 -208.97757 -196.74666 12.23091 3.06168 -199.02674 1076.45938
1140.0000 -212.07590 -198.61816 13.45773 3.14462 -197.38583 1123.06637
1145.0000 -212.74332 -199.79137 12.95195 3.02657 -199.72134 1035.80192
1150.0000 -213.37511 -201.84923 11.52588 2.96781 -200.88386 1014.64024
1155.0000 -212.94401 -202.35616 10.58785 2.92349 -201.76061 993.76131
1160.0000 -212.78035 -201.87008 10.91027 2.85346 -203.14613 932.04398
1165.0000 -212.42395 -202.39165 10.03230 2.93052 -201.62154 970.31302
1170.0000 -212.22293 -200.18221 12.04071 2.95411 -201.15480 999.86440
1175.0000 -213.16587 -200.81511 12.35077 3.00406 -200.16671 1019.58382
1180.0000 -210.61087 -199.31870 11.29217 2.99249 -200.39547 1027.26244
1185.0000 -210.54018 -198.50719 12.03298 3.07108 -198.84060 1071.35296
1190.0000 -211.26933 -197.39821 13.87112 3.11577 -197.95646 1109.31797
1195.0000 -210.92933 -199.01165 11.91768 3.11603 -197.95142 1104.07868
1200.0000 -213.46716 -200.56843 12.89873 2.98681 -200.50794 1025.27416
1205.0000 -211.29382 -200.10214 11.19168 3.01557 -199.93895 1048.54700
1210.0000 -210.58597 -195.77180 14.81417 3.20274 -196.23582 1137.82027
1215.0000 -211.47606 -199.31727 12.15879 3.08714 -198.52298 1091.80888
1220.0000 -212.26727 -201.62998 10.63729 2.94545 -201.32610 1015.24233
1225.0000 -212.29571 -199.20228 13.09342 2.92293 -201.77179 983.53949
1230.0000 -211.70682 -200.44716 11.25966 3.05816 -199.09631 1063.88504
1235.0000 -211.33029 -200.28223 11.04806 3.00067 -200.23367 1029.47165
1240.0000 -210.47253 -199.01550 11.45703 3.06716 -198.91823 1051.72952
1245.0000 -212.63332 -201.93618 10.69714 2.98560 -200.53187 1033.59648
1250.0000 -213.05738 -200.97885 12.07853 2.92033 -201.82324 983.99491
FREEZING PROCESS: loop number 6 T-loop= 986.00000000000000
main_MD> interactions number 6 at Temperature= 986.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.95342 0.15324 2.64913
force_rgl> df(natom) -5.84100 8.85833 8.06472
1255.0000 -214.74973 -203.02346 11.72626 2.88159 -202.58968 982.31262
1260.0000 -213.26735 -201.25957 12.00778 2.91383 -201.95183 992.64491
1265.0000 -214.15420 -202.56789 11.58631 2.89427 -202.33867 991.46023
1270.0000 -215.11354 -204.22890 10.88465 2.83486 -203.51407 917.98932
1275.0000 -214.24895 -204.97494 9.27401 2.83899 -203.43249 923.40012
1280.0000 -213.92320 -203.20439 10.71881 2.80835 -204.03862 916.64022
1285.0000 -214.70220 -204.25214 10.45005 2.82733 -203.66309 920.24231
1290.0000 -216.68453 -205.56066 11.12386 2.77252 -204.74745 897.41623
1295.0000 -213.69709 -203.37526 10.32184 2.84067 -203.39921 947.40652
1300.0000 -213.58941 -201.87706 11.71235 2.84991 -203.21637 936.98947
1305.0000 -215.42249 -204.76667 10.65582 2.86705 -202.87722 947.30119
1310.0000 -213.37059 -202.57932 10.79127 2.78462 -204.50812 895.29157
1315.0000 -214.31266 -204.23274 10.07992 2.78938 -204.41387 914.35046
1320.0000 -215.46555 -204.61102 10.85452 2.78336 -204.53297 892.55915
1325.0000 -215.03353 -203.29226 11.74128 2.85238 -203.16754 915.43122
1330.0000 -211.49962 -200.41078 11.08885 2.90096 -202.20646 967.96356
1335.0000 -213.50656 -201.43852 12.06805 2.96339 -200.97130 1010.31354
1340.0000 -214.60303 -202.90920 11.69383 2.93230 -201.58637 1020.11709
1345.0000 -213.29622 -202.11600 11.18022 2.91306 -201.96696 984.12128
1350.0000 -213.25759 -203.10018 10.15741 2.85119 -203.19103 939.88644
1355.0000 -212.51101 -201.74755 10.76347 2.88240 -202.57364 969.91863
1360.0000 -212.26788 -201.20996 11.05792 2.95906 -201.05697 988.85857
1365.0000 -213.92005 -203.43095 10.48910 2.94451 -201.34476 984.25692
1370.0000 -213.50264 -203.47524 10.02740 2.91278 -201.97246 986.45206
1375.0000 -212.90399 -202.90413 9.99986 2.90669 -202.09298 976.27818
1380.0000 -213.72715 -201.35510 12.37204 2.90100 -202.20566 948.35130
1385.0000 -210.61819 -199.50667 11.11152 2.97380 -200.76524 1005.07823
1390.0000 -214.15821 -202.07832 12.07990 2.96576 -200.92438 986.41303
1395.0000 -212.73465 -201.52332 11.21132 2.94524 -201.33026 997.16324
1400.0000 -213.45797 -201.94738 11.51059 2.89058 -202.41179 955.70265
1405.0000 -212.50154 -201.19580 11.30575 2.96500 -200.93939 1002.33079
1410.0000 -213.70165 -203.39868 10.30297 2.85174 -203.18014 946.18109
1415.0000 -214.06203 -202.20924 11.85280 2.88565 -202.50931 964.03286
1420.0000 -213.09373 -202.05743 11.03630 2.91466 -201.93533 951.62891
1425.0000 -213.22942 -200.11069 13.11873 2.99285 -200.38839 1020.78085
1430.0000 -213.39480 -201.66289 11.73191 2.96272 -200.98456 1026.13469
1435.0000 -212.83733 -202.11129 10.72605 2.92718 -201.68763 976.92561
1440.0000 -214.63628 -202.46408 12.17220 2.90946 -202.03815 1013.38506
1445.0000 -214.38161 -203.80559 10.57602 2.87738 -202.67281 956.95475
1450.0000 -214.55392 -204.10568 10.44824 2.80133 -204.17742 895.12129
1455.0000 -214.13650 -202.94410 11.19241 2.85478 -203.12013 943.98943
1460.0000 -210.96810 -200.42948 10.53861 2.91439 -201.94060 974.12247
1465.0000 -213.67233 -202.61943 11.05290 2.96410 -200.95716 1022.66485
1470.0000 -212.23829 -202.64139 9.59690 2.89206 -202.38244 969.78512
1475.0000 -215.44537 -204.66518 10.78018 2.87587 -202.70274 944.31562
1480.0000 -213.34076 -203.79773 9.54303 2.76933 -204.81065 918.82113
1485.0000 -214.75152 -203.40203 11.34949 2.86740 -202.87042 945.57352
1490.0000 -213.10317 -203.16785 9.93532 2.83227 -203.56536 945.49122
1495.0000 -214.47113 -204.23216 10.23897 2.80544 -204.09622 906.48377
1500.0000 -213.71304 -201.51531 12.19773 2.87554 -202.70938 926.96743
FREEZING PROCESS: loop number 7 T-loop= 961.00000000000000
main_MD> interactions number 7 at Temperature= 961.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04008 2.25895 1.71958
force_rgl> df(natom) -0.76441 0.48425 -0.41517
1505.0000 -212.97855 -203.12843 9.85012 2.86479 -202.92200 962.25398
1510.0000 -212.34613 -201.54986 10.79627 2.89491 -202.32607 962.35296
1515.0000 -210.73480 -198.88442 11.85037 3.05818 -199.09593 1080.55765
1520.0000 -212.82577 -200.72288 12.10289 3.01289 -199.99199 1018.24561
1525.0000 -211.85726 -199.52953 12.32773 3.03099 -199.63389 1037.86028
1530.0000 -211.46414 -200.38195 11.08219 3.01316 -199.98668 1021.63307
1535.0000 -213.18940 -202.04370 11.14570 2.95149 -201.20669 990.00970
1540.0000 -211.17219 -199.95137 11.22082 2.96509 -200.93754 1015.33985
1545.0000 -212.27391 -200.84267 11.43124 3.01736 -199.90342 985.21239
1550.0000 -213.18046 -204.15220 9.02827 2.82383 -203.73234 919.08426
1555.0000 -213.80215 -204.72109 9.08105 2.82016 -203.80503 909.97870
1560.0000 -214.69745 -204.47559 10.22186 2.73504 -205.48905 864.25645
1565.0000 -216.02098 -205.67061 10.35037 2.76729 -204.85105 891.93139
1570.0000 -214.78107 -204.28070 10.50038 2.78463 -204.50795 918.43063
1575.0000 -213.82956 -205.00592 8.82364 2.73423 -205.50494 845.67639
1580.0000 -213.95074 -203.22297 10.72777 2.84145 -203.38379 919.24920
1585.0000 -215.03870 -203.47604 11.56265 2.86586 -202.90073 916.88141
1590.0000 -215.06685 -205.47276 9.59408 2.80519 -204.10107 906.55187
1595.0000 -213.79473 -203.75469 10.04004 2.72723 -205.64359 857.92935
1600.0000 -212.70987 -202.43815 10.27172 2.87722 -202.67608 968.46499
1605.0000 -213.08053 -203.41622 9.66432 2.85846 -203.04728 926.79866
1610.0000 -213.57713 -201.69791 11.87923 2.88975 -202.42824 980.30549
1615.0000 -212.93386 -202.41150 10.52235 2.91083 -202.01108 986.37228
1620.0000 -212.42043 -200.11885 12.30158 2.88599 -202.50250 952.04838
1625.0000 -212.35334 -199.73923 12.61410 3.02910 -199.67127 1041.29670
1630.0000 -214.56461 -203.29633 11.26827 2.91935 -201.84265 971.61178
1635.0000 -217.19155 -205.40851 11.78304 2.76103 -204.97484 898.85378
1640.0000 -214.82104 -204.26647 10.55456 2.76911 -204.81491 897.72422
1645.0000 -212.83234 -202.44155 10.39079 2.77841 -204.63097 886.61195
1650.0000 -210.64287 -200.61997 10.02290 2.92283 -201.77372 945.40915
1655.0000 -211.19842 -200.69011 10.50831 2.96112 -201.01626 1002.61186
1660.0000 -211.55611 -199.66027 11.89584 2.99704 -200.30551 1018.70369
1665.0000 -213.76057 -202.36483 11.39573 3.02117 -199.82803 1043.12459
1670.0000 -213.83576 -202.16007 11.67569 2.88299 -202.56188 948.41433
1675.0000 -213.72917 -203.13320 10.59596 2.85757 -203.06478 916.23803
1680.0000 -214.97029 -203.94332 11.02698 2.85889 -203.03869 925.73303
1685.0000 -213.48391 -202.79150 10.69241 2.85795 -203.05738 946.29881
1690.0000 -213.86717 -203.69535 10.17182 2.93023 -201.62731 992.82296
1695.0000 -214.28134 -203.23548 11.04586 2.77264 -204.74509 883.73911
1700.0000 -214.05506 -201.97364 12.08142 2.87837 -202.65331 982.43163
1705.0000 -214.51583 -203.99453 10.52130 2.81616 -203.88420 910.93705
1710.0000 -214.58517 -202.82358 11.76159 2.86369 -202.94381 942.11922
1715.0000 -214.37534 -202.92164 11.45370 2.88309 -202.55991 972.28039
1720.0000 -213.02829 -202.55340 10.47490 2.87218 -202.77577 952.50114
1725.0000 -214.99141 -203.55921 11.43219 2.86965 -202.82589 913.50767
1730.0000 -214.04213 -203.98682 10.05531 2.80901 -204.02557 914.83536
1735.0000 -214.72447 -204.92082 9.80365 2.79303 -204.34177 891.88975
1740.0000 -213.25019 -202.20941 11.04078 2.84150 -203.38276 904.01804
1745.0000 -212.47528 -202.21951 10.25577 2.90425 -202.14129 952.59261
1750.0000 -211.75837 -200.30410 11.45427 2.93741 -201.48516 979.53071
FREEZING PROCESS: loop number 8 T-loop= 936.00000000000000
main_MD> interactions number 8 at Temperature= 936.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60558 -1.71388 -1.51939
force_rgl> df(natom) 2.73534 -0.44870 -0.46804
1755.0000 -213.61419 -202.73413 10.88006 2.92436 -201.74339 982.76945
1760.0000 -215.95161 -205.53019 10.42141 2.84223 -203.36842 931.44841
1765.0000 -216.26090 -205.03122 11.22968 2.77539 -204.69065 893.30313
1770.0000 -214.20759 -204.18807 10.01952 2.81540 -203.89909 902.81480
1775.0000 -212.69367 -203.80694 8.88673 2.77123 -204.77305 875.06694
1780.0000 -213.79957 -203.25104 10.54854 2.83248 -203.56128 940.34681
1785.0000 -211.63085 -201.17459 10.45625 2.85756 -203.06510 945.00503
1790.0000 -213.75564 -202.90575 10.84988 2.90581 -202.11042 993.21450
1795.0000 -214.11488 -202.30154 11.81334 2.90536 -202.11941 981.49023
1800.0000 -213.68617 -204.58624 9.09994 2.85387 -203.13799 961.09799
1805.0000 -214.47019 -203.92611 10.54408 2.82089 -203.79053 924.70734
1810.0000 -214.89469 -204.23047 10.66422 2.82401 -203.72887 910.99628
1815.0000 -214.38612 -203.82014 10.56599 2.77932 -204.61288 890.50804
1820.0000 -214.93498 -203.33947 11.59551 2.84805 -203.25323 912.01302
1825.0000 -213.35637 -203.60903 9.74734 2.82153 -203.77781 908.14554
1830.0000 -214.32686 -203.22333 11.10352 2.83854 -203.44124 931.50497
1835.0000 -213.40924 -202.62497 10.78428 2.83832 -203.44564 932.15701
1840.0000 -213.89379 -204.11797 9.77582 2.80269 -204.15056 939.19472
1845.0000 -215.78728 -206.40923 9.37805 2.73283 -205.53275 878.97129
1850.0000 -216.90651 -208.66194 8.24457 2.60932 -207.97633 784.98700
1855.0000 -214.63672 -202.93893 11.69779 2.69842 -206.21351 851.50680
1860.0000 -213.04209 -203.65724 9.38485 2.88591 -202.50409 965.99805
1865.0000 -215.77382 -204.82354 10.95027 2.77901 -204.61906 879.16639
1870.0000 -214.56093 -203.97674 10.58419 2.78812 -204.43893 890.39505
1875.0000 -215.86570 -204.54769 11.31801 2.76911 -204.81494 884.08794
1880.0000 -212.44981 -200.92692 11.52288 2.90008 -202.22378 976.00768
1885.0000 -213.39958 -203.06409 10.33550 2.89390 -202.34614 963.57547
1890.0000 -212.74062 -201.43292 11.30770 2.89600 -202.30461 991.20068
1895.0000 -213.65915 -201.75707 11.90208 2.95602 -201.11697 1007.50095
1900.0000 -213.97766 -201.65589 12.32178 2.87870 -202.64686 959.68104
1905.0000 -214.14254 -203.05451 11.08803 2.89473 -202.32965 980.97013
1910.0000 -214.46880 -204.12905 10.33975 2.85484 -203.11876 958.45748
1915.0000 -214.41856 -204.16615 10.25240 2.83784 -203.45521 915.98925
1920.0000 -211.29377 -200.86123 10.43254 2.85393 -203.13695 923.72344
1925.0000 -212.95315 -202.38671 10.56644 2.95051 -201.22615 972.57196
1930.0000 -215.31741 -203.41854 11.89887 2.88136 -202.59423 942.08318
1935.0000 -214.05470 -204.31113 9.74357 2.82306 -203.74761 923.07254
1940.0000 -214.05188 -202.66940 11.38247 2.85553 -203.10519 940.03669
1945.0000 -213.23352 -201.96980 11.26372 2.87242 -202.77106 946.90674
1950.0000 -212.48615 -203.02894 9.45721 2.92478 -201.73521 998.78205
1955.0000 -214.99557 -204.75497 10.24060 2.78825 -204.43627 893.27687
1960.0000 -216.34258 -205.44441 10.89817 2.75955 -205.00406 886.46422
1965.0000 -215.76491 -204.49359 11.27132 2.75818 -205.03112 891.54986
1970.0000 -215.13199 -205.56282 9.56918 2.77694 -204.66005 889.61356
1975.0000 -216.75198 -206.17548 10.57649 2.70441 -206.09492 850.26547
1980.0000 -213.19720 -202.90441 10.29279 2.77309 -204.73615 909.75849
1985.0000 -212.97428 -201.93403 11.04025 2.89891 -202.24696 969.86292
1990.0000 -212.45385 -201.58348 10.87038 2.93821 -201.46939 971.03127
1995.0000 -214.18248 -204.59553 9.58695 2.84500 -203.31353 925.66690
2000.0000 -213.69267 -203.41035 10.28232 2.81390 -203.92882 902.03991
FREEZING PROCESS: loop number 9 T-loop= 911.00000000000000
main_MD> interactions number 9 at Temperature= 911.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58375 0.90874 -0.58602
force_rgl> df(natom) -2.55848 8.87738 -2.09838
2005.0000 -214.33898 -205.48390 8.85508 2.78360 -204.52829 896.80880
2010.0000 -212.81833 -202.06888 10.74946 2.82007 -203.80684 894.80142
2015.0000 -215.35065 -204.95837 10.39228 2.80155 -204.17309 917.19784
2020.0000 -215.38761 -205.79718 9.59043 2.76544 -204.88748 897.55934
2025.0000 -213.71450 -204.45571 9.25879 2.77951 -204.60924 895.49641
2030.0000 -214.89658 -204.33989 10.55669 2.80164 -204.17139 906.78523
2035.0000 -215.15185 -205.12318 10.02867 2.70854 -206.01337 854.04874
2040.0000 -213.85392 -205.17035 8.68357 2.72548 -205.67806 852.44478
2045.0000 -216.46782 -207.80909 8.65872 2.68072 -206.56376 816.17204
2050.0000 -216.15761 -205.09238 11.06523 2.66020 -206.96968 802.31957
2055.0000 -214.07090 -201.96644 12.10446 2.83005 -203.60926 944.08922
2060.0000 -213.01007 -202.86703 10.14305 2.86958 -202.82714 939.40954
2065.0000 -214.15925 -202.86244 11.29681 2.86973 -202.82434 950.79950
2070.0000 -213.00341 -204.47742 8.52600 2.83402 -203.53083 920.18678
2075.0000 -215.87328 -205.45016 10.42311 2.73296 -205.53016 853.34406
2080.0000 -214.34237 -203.09496 11.24741 2.85924 -203.03179 946.05139
2085.0000 -216.49396 -205.29416 11.19980 2.78022 -204.59513 902.20046
2090.0000 -214.62407 -204.58373 10.04034 2.74256 -205.34030 883.49235
2095.0000 -212.87945 -202.99847 9.88098 2.85420 -203.13158 928.99596
2100.0000 -213.32351 -202.52034 10.80317 2.85886 -203.03926 940.23778
2105.0000 -214.08629 -203.67302 10.41328 2.88055 -202.61015 968.34442
2110.0000 -214.69926 -204.24484 10.45442 2.74374 -205.31683 854.16328
2115.0000 -216.34756 -206.18329 10.16427 2.70621 -206.05935 842.82046
2120.0000 -212.80110 -201.75874 11.04236 2.84931 -203.22819 939.69825
2125.0000 -212.29534 -202.46388 9.83146 2.88773 -202.46817 961.92833
2130.0000 -214.75350 -204.03031 10.72320 2.77821 -204.63501 892.87537
2135.0000 -213.72257 -203.90046 9.82211 2.81505 -203.90602 909.53276
2140.0000 -214.71759 -205.25472 9.46287 2.74546 -205.28292 869.04714
2145.0000 -213.55384 -204.17375 9.38009 2.76758 -204.84514 875.24713
2150.0000 -213.26329 -202.50228 10.76101 2.86522 -202.91355 931.21800
2155.0000 -216.46244 -205.46009 11.00234 2.84397 -203.33381 909.77953
2160.0000 -215.59692 -206.16676 9.43016 2.75162 -205.16101 883.64713
2165.0000 -215.70709 -205.15181 10.55529 2.73197 -205.54981 860.71179
2170.0000 -215.74650 -206.51391 9.23259 2.72998 -205.58905 842.10171
2175.0000 -215.59481 -204.55900 11.03581 2.72270 -205.73306 863.74389
2180.0000 -212.61452 -201.83524 10.77927 2.86503 -202.91721 962.60894
2185.0000 -214.08556 -203.21750 10.86806 2.86385 -202.94068 923.27581
2190.0000 -214.83577 -203.44423 11.39154 2.85646 -203.08675 932.45885
2195.0000 -212.70025 -202.96716 9.73308 2.86346 -202.94837 948.14300
2200.0000 -212.56897 -202.75995 9.80902 2.89759 -202.27314 981.55438
2205.0000 -213.93648 -203.28513 10.65135 2.87890 -202.64284 938.00677
2210.0000 -210.91163 -200.87212 10.03952 2.91284 -201.97126 954.46601
2215.0000 -213.80846 -201.69789 12.11057 2.97224 -200.79621 997.52884
2220.0000 -212.73098 -201.30231 11.42866 2.97466 -200.74838 1015.97931
2225.0000 -213.45261 -202.76652 10.68609 2.86525 -202.91282 924.38312
2230.0000 -215.61187 -204.89415 10.71772 2.77946 -204.61028 902.05827
2235.0000 -213.26918 -202.19290 11.07627 2.82860 -203.63798 909.80177
2240.0000 -212.71485 -203.36741 9.34744 2.82348 -203.73919 936.77693
2245.0000 -214.31093 -203.58743 10.72351 2.86301 -202.95718 946.90542
2250.0000 -213.11654 -203.96604 9.15050 2.79175 -204.36704 884.15130
FREEZING PROCESS: loop number 10 T-loop= 886.00000000000000
main_MD> interactions number 10 at Temperature= 886.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09157 -1.54578 2.17930
force_rgl> df(natom) 0.80415 -3.15127 -0.95901
2255.0000 -213.88007 -204.34128 9.53879 2.80822 -204.04128 873.04284
2260.0000 -215.78544 -206.64588 9.13957 2.70110 -206.16046 844.67948
2265.0000 -215.73765 -205.36869 10.36895 2.75448 -205.10436 859.92577
2270.0000 -216.42031 -206.16616 10.25415 2.73506 -205.48856 855.66543
2275.0000 -215.78791 -205.34190 10.44601 2.73204 -205.54827 855.03509
2280.0000 -216.05783 -207.16873 8.88910 2.67910 -206.59576 849.11039
2285.0000 -214.61442 -205.08702 9.52740 2.71966 -205.79322 855.42572
2290.0000 -215.52305 -205.42432 10.09874 2.75455 -205.10300 876.91274
2295.0000 -215.78471 -205.97834 9.80638 2.72248 -205.73757 871.52404
2300.0000 -216.95369 -205.69453 11.25916 2.67497 -206.67752 828.26458
2305.0000 -213.89693 -204.47521 9.42172 2.77621 -204.67451 889.10716
2310.0000 -213.38593 -202.95517 10.43076 2.81886 -203.83079 935.28331
2315.0000 -214.15407 -204.16805 9.98603 2.83125 -203.58556 936.93343
2320.0000 -214.17851 -204.69518 9.48334 2.78296 -204.54085 892.59292
2325.0000 -213.56815 -204.09334 9.47482 2.82129 -203.78254 934.11147
2330.0000 -214.20586 -203.86017 10.34569 2.78664 -204.46820 886.84146
2335.0000 -213.42943 -202.06326 11.36617 2.88894 -202.44430 969.16487
2340.0000 -212.81408 -204.03473 8.77935 2.86108 -202.99534 966.05590
2345.0000 -213.90139 -204.07918 9.82221 2.82695 -203.67070 929.97167
2350.0000 -215.20130 -205.09739 10.10391 2.78046 -204.59043 884.96868
2355.0000 -212.54312 -201.58737 10.95575 2.78993 -204.40301 873.54055
2360.0000 -213.57239 -203.49384 10.07855 2.91800 -201.86933 953.92779
2365.0000 -214.47519 -204.65291 9.82228 2.84247 -203.36367 942.92377
2370.0000 -215.45368 -206.15967 9.29401 2.71581 -205.86939 850.87825
2375.0000 -214.39656 -205.29454 9.10202 2.71392 -205.90682 855.59691
2380.0000 -217.80778 -209.16692 8.64086 2.66632 -206.84850 844.87896
2385.0000 -215.58216 -207.22456 8.35759 2.58578 -208.44198 777.51777
2390.0000 -217.20138 -206.39030 10.81108 2.66893 -206.79699 809.76208
2395.0000 -215.65403 -205.33460 10.31943 2.66953 -206.78512 846.80306
2400.0000 -215.26588 -206.40188 8.86401 2.76682 -204.86027 889.86209
2405.0000 -215.28320 -204.99860 10.28460 2.69122 -206.35606 841.32335
2410.0000 -214.62849 -203.96312 10.66537 2.77948 -204.60979 881.61369
2415.0000 -214.63058 -203.28376 11.34682 2.85906 -203.03531 938.57019
2420.0000 -214.48213 -205.73181 8.75033 2.80116 -204.18088 888.29284
2425.0000 -214.20885 -203.56251 10.64633 2.76052 -204.98489 878.26748
2430.0000 -216.24285 -206.00069 10.24215 2.79289 -204.34447 897.33674
2435.0000 -215.16835 -205.44683 9.72152 2.70324 -206.11816 849.62443
2440.0000 -216.07490 -205.79244 10.28246 2.72094 -205.76790 865.76982
2445.0000 -216.76439 -206.34959 10.41479 2.68918 -206.39630 835.65043
2450.0000 -215.22453 -205.60449 9.62004 2.67546 -206.66767 816.66890
2455.0000 -216.71134 -205.98031 10.73102 2.73300 -205.52943 867.99946
2460.0000 -216.35132 -207.65866 8.69266 2.67805 -206.61651 840.68525
2465.0000 -216.31366 -206.43433 9.87933 2.64834 -207.20432 828.64602
2470.0000 -215.58075 -205.49709 10.08365 2.73177 -205.55376 877.17234
2475.0000 -214.69653 -204.28980 10.40673 2.79040 -204.39379 912.13577
2480.0000 -214.89306 -205.11490 9.77815 2.78333 -204.53367 905.80079
2485.0000 -217.09172 -207.99756 9.09416 2.71675 -205.85095 848.58759
2490.0000 -215.74864 -204.99901 10.74962 2.67812 -206.61521 857.19643
2495.0000 -213.50280 -202.76517 10.73763 2.80711 -204.06308 900.50774
2500.0000 -212.99478 -201.52761 11.46717 2.91412 -201.94612 953.93718
FREEZING PROCESS: loop number 11 T-loop= 861.00000000000000
main_MD> interactions number 11 at Temperature= 861.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15783 2.34382 -2.36369
force_rgl> df(natom) -0.05711 -0.06519 -3.28525
2505.0000 -212.62631 -202.37646 10.24985 2.95106 -201.21519 996.30224
2510.0000 -215.74052 -208.14928 7.59123 2.71254 -205.93425 839.28410
2515.0000 -216.05019 -207.40570 8.64448 2.61438 -207.87619 778.75550
2520.0000 -217.69112 -208.93436 8.75676 2.63046 -207.55809 795.62914
2525.0000 -215.91825 -205.71230 10.20595 2.64359 -207.29826 818.57037
2530.0000 -214.49657 -204.88769 9.60888 2.73084 -205.57218 844.92623
2535.0000 -214.84584 -204.44652 10.39932 2.74187 -205.35379 884.31039
2540.0000 -217.58255 -208.38400 9.19855 2.68055 -206.56707 843.71299
2545.0000 -215.39006 -207.06729 8.32277 2.57673 -208.62100 767.43409
2550.0000 -215.79836 -206.87124 8.92713 2.68413 -206.49618 850.78450
2555.0000 -215.19300 -205.22835 9.96465 2.69707 -206.24025 843.35625
2560.0000 -216.18179 -206.90720 9.27459 2.69651 -206.25135 843.45549
2565.0000 -217.08093 -205.78232 11.29861 2.70453 -206.09269 844.11142
2570.0000 -215.50361 -204.86646 10.63715 2.72406 -205.70626 872.17469
2575.0000 -212.68364 -202.75509 9.92854 2.84004 -203.41175 944.33186
2580.0000 -215.38782 -206.83303 8.55479 2.74798 -205.23306 874.87770
2585.0000 -216.85708 -207.55168 9.30540 2.63948 -207.37960 811.35672
2590.0000 -214.31863 -205.26376 9.05486 2.72701 -205.64787 856.97952
2595.0000 -214.90415 -204.90658 9.99757 2.73191 -205.55087 841.86878
2600.0000 -214.18109 -204.16582 10.01527 2.82250 -203.75870 911.81720
2605.0000 -216.19402 -205.69319 10.50084 2.77648 -204.66910 886.79694
2610.0000 -217.47539 -206.90610 10.56929 2.68551 -206.46893 855.57733
2615.0000 -216.23698 -206.54883 9.68815 2.68949 -206.39027 847.21843
2620.0000 -215.43158 -207.03497 8.39661 2.70784 -206.02720 856.23734
2625.0000 -214.71233 -206.61486 8.09747 2.64645 -207.24164 804.84007
2630.0000 -215.32500 -207.85969 7.46530 2.65283 -207.11544 798.07042
2635.0000 -214.52237 -206.16918 8.35319 2.68848 -206.41022 825.70300
2640.0000 -214.54069 -206.04934 8.49134 2.72502 -205.68734 854.05708
2645.0000 -216.47571 -207.50133 8.97438 2.67544 -206.66809 858.47566
2650.0000 -215.80398 -205.19837 10.60561 2.70467 -206.08985 853.89503
2655.0000 -215.31945 -205.55425 9.76521 2.70387 -206.10575 854.38004
2660.0000 -215.34908 -204.31934 11.02974 2.77568 -204.68506 906.23482
2665.0000 -215.29253 -204.97585 10.31669 2.75392 -205.11542 869.72232
2670.0000 -215.30812 -205.94017 9.36795 2.79730 -204.25719 894.98463
2675.0000 -216.09311 -205.40442 10.68869 2.76523 -204.89179 884.19362
2680.0000 -214.01119 -203.11365 10.89755 2.80843 -204.03708 924.24578
2685.0000 -215.11681 -205.84527 9.27153 2.74760 -205.24061 877.51535
2690.0000 -213.96373 -203.07525 10.88849 2.77110 -204.77562 882.36476
2695.0000 -214.78751 -205.85713 8.93038 2.78707 -204.45956 898.44654
2700.0000 -214.44758 -206.24425 8.20333 2.76679 -204.86092 854.74266
2705.0000 -216.36321 -207.37405 8.98916 2.68240 -206.53044 810.17877
2710.0000 -216.24923 -207.58253 8.66670 2.65400 -207.09234 807.19128
2715.0000 -215.96682 -207.14508 8.82174 2.67013 -206.77320 817.25706
2720.0000 -216.13815 -205.39673 10.74141 2.70622 -206.05919 828.71043
2725.0000 -215.91566 -206.94630 8.96935 2.70716 -206.04069 847.83473
2730.0000 -217.33455 -208.30773 9.02682 2.65244 -207.12319 817.48176
2735.0000 -216.07957 -206.92970 9.14986 2.62452 -207.67556 787.93052
2740.0000 -216.16786 -207.56981 8.59804 2.64718 -207.22733 799.71952
2745.0000 -215.33444 -205.10029 10.23415 2.66754 -206.82442 817.45769
2750.0000 -217.03486 -206.64238 10.39248 2.70066 -206.16920 857.54582
FREEZING PROCESS: loop number 12 T-loop= 836.00000000000000
main_MD> interactions number 12 at Temperature= 836.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47969 0.22562 3.03339
force_rgl> df(natom) 0.76589 2.48474 -0.05686
2755.0000 -215.86892 -204.84767 11.02126 2.70644 -206.05490 840.64219
2760.0000 -216.29205 -204.97403 11.31802 2.74591 -205.27388 869.90819
2765.0000 -216.52849 -207.27101 9.25747 2.66395 -206.89545 817.51881
2770.0000 -216.02564 -207.02787 8.99777 2.62430 -207.67988 805.44575
2775.0000 -215.83010 -207.66800 8.16210 2.64024 -207.36456 826.96957
2780.0000 -216.00881 -206.75341 9.25540 2.64902 -207.19087 813.56422
2785.0000 -216.39194 -206.49229 9.89965 2.66375 -206.89949 800.14590
2790.0000 -217.74832 -209.34854 8.39978 2.60593 -208.04336 785.86697
2795.0000 -217.35915 -208.18587 9.17328 2.60701 -208.02192 791.15113
2800.0000 -216.71688 -208.85006 7.86682 2.55149 -209.12044 754.51370
2805.0000 -217.53112 -208.37706 9.15406 2.58246 -208.50763 771.25831
2810.0000 -216.45040 -207.90198 8.54842 2.60272 -208.10692 810.44197
2815.0000 -215.98830 -206.48257 9.50573 2.63945 -207.38010 799.88083
2820.0000 -215.80727 -205.51371 10.29356 2.74316 -205.32845 880.85430
2825.0000 -217.91255 -207.56148 10.35106 2.65225 -207.12693 803.23227
2830.0000 -215.65122 -206.29616 9.35505 2.65604 -207.05206 836.05914
2835.0000 -216.90301 -208.19126 8.71174 2.65940 -206.98553 823.03284
2840.0000 -216.65875 -207.85274 8.80601 2.60503 -208.06126 763.91020
2845.0000 -218.41624 -208.61960 9.79664 2.60935 -207.97564 788.69739
2850.0000 -218.09700 -209.68785 8.40915 2.51589 -209.82482 731.75192
2855.0000 -217.93200 -209.40419 8.52781 2.51532 -209.83602 737.59620
2860.0000 -216.71204 -209.01275 7.69930 2.54885 -209.17260 759.47880
2865.0000 -218.79348 -208.84054 9.95294 2.60978 -207.96722 793.74593
2870.0000 -218.20542 -208.99886 9.20655 2.56104 -208.93141 772.32334
2875.0000 -217.21482 -208.64941 8.56541 2.56294 -208.89383 764.85645
2880.0000 -218.10197 -208.22159 9.88038 2.61560 -207.85199 808.49483
2885.0000 -215.29978 -205.78480 9.51498 2.67970 -206.58384 837.45164
2890.0000 -216.24864 -206.35881 9.88983 2.75568 -205.08063 877.37245
2895.0000 -216.15982 -205.82440 10.33542 2.68942 -206.39161 846.35174
2900.0000 -214.85221 -204.78398 10.06823 2.72458 -205.69586 863.74876
2905.0000 -215.72504 -206.92982 8.79522 2.75179 -205.15758 856.32899
2910.0000 -216.15007 -206.59997 9.55010 2.71873 -205.81176 861.97072
2915.0000 -215.91350 -205.30981 10.60368 2.71960 -205.79443 861.30715
2920.0000 -216.44368 -206.06234 10.38134 2.70422 -206.09867 852.24854
2925.0000 -214.69724 -204.40919 10.28805 2.75556 -205.08302 882.26216
2930.0000 -214.22709 -206.32206 7.90503 2.78904 -204.42071 890.03063
2935.0000 -215.97901 -207.10579 8.87321 2.72786 -205.63098 853.19499
2940.0000 -216.86737 -206.91099 9.95638 2.69414 -206.29825 844.19664
2945.0000 -216.88849 -208.12725 8.76124 2.65845 -207.00427 817.10989
2950.0000 -214.47101 -205.11167 9.35934 2.62124 -207.74042 806.14139
2955.0000 -214.85599 -204.52421 10.33178 2.77159 -204.76584 860.79950
2960.0000 -215.51509 -207.04551 8.46957 2.69967 -206.18880 819.23747
2965.0000 -216.87452 -206.20476 10.66976 2.67274 -206.72167 833.85128
2970.0000 -215.53800 -205.14682 10.39117 2.72773 -205.63366 877.38926
2975.0000 -214.93686 -204.91514 10.02172 2.76957 -204.80581 872.14095
2980.0000 -215.97342 -203.11125 12.86217 2.83213 -203.56818 912.51418
2985.0000 -214.41991 -204.75899 9.66092 2.83796 -203.45279 937.68039
2990.0000 -216.96757 -207.14712 9.82045 2.65937 -206.98615 830.48251
2995.0000 -215.99435 -206.08371 9.91064 2.63731 -207.42249 826.97302
3000.0000 -215.18596 -206.55311 8.63285 2.72671 -205.65387 862.95060
FREEZING PROCESS: loop number 13 T-loop= 811.00000000000000
main_MD> interactions number 13 at Temperature= 811.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.12821 -1.81329 8.63254
force_rgl> df(natom) -0.84470 3.10151 -1.77338
3005.0000 -216.07198 -206.05052 10.02145 2.68868 -206.40618 836.47957
3010.0000 -216.57399 -207.59778 8.97621 2.65954 -206.98280 813.21281
3015.0000 -218.00351 -209.54270 8.46081 2.52470 -209.65044 752.57899
3020.0000 -217.72534 -208.90096 8.82438 2.54238 -209.30066 760.45897
3025.0000 -218.45797 -209.75809 8.69988 2.54777 -209.19411 716.11015
3030.0000 -218.00562 -210.45209 7.55352 2.51359 -209.87024 736.21429
3035.0000 -218.91177 -210.29584 8.61593 2.48020 -210.53095 713.13832
3040.0000 -217.23920 -209.17239 8.06681 2.53382 -209.47012 769.49563
3045.0000 -216.56655 -206.92139 9.64517 2.60727 -208.01680 804.37225
3050.0000 -215.87809 -206.87732 9.00077 2.67380 -206.70060 834.98159
3055.0000 -216.44030 -208.09958 8.34072 2.64267 -207.31642 801.47815
3060.0000 -216.65845 -207.31162 9.34683 2.62130 -207.73920 804.80980
3065.0000 -216.37834 -206.89741 9.48093 2.67527 -206.67145 841.09483
3070.0000 -215.50153 -206.21515 9.28638 2.69777 -206.22644 827.64739
3075.0000 -217.13043 -207.19563 9.93480 2.62605 -207.64535 772.35034
3080.0000 -215.05975 -205.36247 9.69728 2.74602 -205.27181 859.95468
3085.0000 -217.39874 -208.76493 8.63381 2.67126 -206.75086 845.86614
3090.0000 -217.39746 -208.15072 9.24674 2.59341 -208.29117 781.44789
3095.0000 -216.79146 -208.62460 8.16686 2.57271 -208.70055 764.52871
3100.0000 -216.70084 -207.61895 9.08189 2.54602 -209.22869 754.89156
3105.0000 -217.39146 -207.87964 9.51182 2.62397 -207.68654 808.62930
3110.0000 -215.52988 -206.04738 9.48250 2.65773 -207.01851 830.29297
3115.0000 -217.39542 -207.56568 9.82974 2.69364 -206.30813 846.26262
3120.0000 -217.57900 -209.74249 7.83651 2.56903 -208.77350 756.80262
3125.0000 -216.37300 -206.86369 9.50932 2.60936 -207.97545 776.92139
3130.0000 -215.70010 -206.27842 9.42168 2.67890 -206.59972 815.59826
3135.0000 -215.51110 -206.19421 9.31689 2.71257 -205.93353 848.28326
3140.0000 -215.10834 -207.04557 8.06276 2.66397 -206.89511 800.77105
3145.0000 -215.03592 -206.62508 8.41084 2.66279 -206.91850 833.48400
3150.0000 -216.63984 -207.93769 8.70215 2.59326 -208.29396 778.44101
3155.0000 -217.17299 -206.07237 11.10062 2.65843 -207.00472 810.37863
3160.0000 -217.32061 -207.34128 9.97933 2.72558 -205.67617 869.46007
3165.0000 -215.62808 -206.17524 9.45284 2.63737 -207.42128 824.94132
3170.0000 -216.86981 -207.73175 9.13806 2.65584 -207.05600 813.71366
3175.0000 -217.85657 -207.84487 10.01171 2.63341 -207.49979 811.41895
3180.0000 -216.86236 -207.91497 8.94739 2.59660 -208.22799 767.19601
3185.0000 -216.99936 -208.20397 8.79539 2.59882 -208.18411 795.15555
3190.0000 -217.32605 -208.82900 8.49705 2.58246 -208.50762 762.76839
3195.0000 -217.45648 -208.07798 9.37850 2.56853 -208.78334 762.24866
3200.0000 -216.29244 -207.31098 8.98147 2.65935 -206.98652 822.69043
3205.0000 -214.48779 -206.13568 8.35211 2.65167 -207.13834 812.44585
3210.0000 -216.85994 -208.73919 8.12076 2.63285 -207.51085 811.18982
3215.0000 -216.72530 -207.58491 9.14039 2.63578 -207.45281 816.84713
3220.0000 -218.06718 -207.23996 10.82722 2.64403 -207.28950 803.42394
3225.0000 -216.40317 -207.85712 8.54605 2.62614 -207.64362 804.36969
3230.0000 -216.50133 -207.53980 8.96153 2.62547 -207.65685 781.68332
3235.0000 -215.75680 -206.11610 9.64070 2.67760 -206.62534 825.45964
3240.0000 -216.32776 -207.45297 8.87479 2.66745 -206.82625 828.42043
3245.0000 -214.09067 -204.78795 9.30273 2.70739 -206.03608 861.07296
3250.0000 -216.09611 -205.89598 10.20013 2.74879 -205.21695 885.04057
FREEZING PROCESS: loop number 14 T-loop= 786.00000000000000
main_MD> interactions number 14 at Temperature= 786.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.20969 -1.59259 0.37480
force_rgl> df(natom) -2.29415 -0.26768 -0.84816
3255.0000 -216.05393 -205.94262 10.11131 2.63693 -207.43015 811.96801
3260.0000 -214.32382 -205.54569 8.77813 2.76256 -204.94446 885.07925
3265.0000 -217.65959 -207.60615 10.05345 2.62593 -207.64762 806.43653
3270.0000 -214.81158 -206.31654 8.49504 2.70177 -206.14728 843.55702
3275.0000 -215.72256 -204.34497 11.37759 2.75030 -205.18704 872.81556
3280.0000 -216.98931 -208.66894 8.32037 2.73847 -205.42106 855.31237
3285.0000 -215.82551 -206.47039 9.35512 2.63769 -207.41506 785.31094
3290.0000 -216.42679 -207.59546 8.83133 2.62992 -207.56881 802.93164
3295.0000 -217.01823 -207.76790 9.25034 2.62551 -207.65603 782.58847
3300.0000 -215.20307 -206.86504 8.33803 2.60104 -208.14018 784.64693
3305.0000 -215.91379 -208.31561 7.59818 2.64973 -207.17687 796.40103
3310.0000 -217.38359 -208.59587 8.78771 2.58879 -208.38238 752.35407
3315.0000 -217.87049 -210.42899 7.44150 2.54400 -209.26871 751.26078
3320.0000 -215.60619 -208.08034 7.52585 2.57952 -208.56587 752.32407
3325.0000 -217.69499 -209.56625 8.12875 2.56907 -208.77263 757.51001
3330.0000 -217.97344 -209.97194 8.00149 2.51673 -209.80810 745.06931
3335.0000 -218.04466 -207.82909 10.21557 2.55480 -209.05502 769.32941
3340.0000 -216.71482 -208.55094 8.16388 2.62338 -207.69804 792.06458
3345.0000 -217.82624 -208.56276 9.26349 2.63194 -207.52886 810.47875
3350.0000 -216.20349 -207.31402 8.88947 2.58014 -208.55354 785.44058
3355.0000 -216.83441 -207.71024 9.12417 2.59915 -208.17746 777.44025
3360.0000 -218.12313 -209.21962 8.90351 2.59542 -208.25128 781.96192
3365.0000 -218.50756 -208.82349 9.68407 2.55836 -208.98450 780.24917
3370.0000 -216.32871 -207.97550 8.35321 2.58226 -208.51171 782.01506
3375.0000 -217.17972 -207.61507 9.56465 2.59768 -208.20658 803.81671
3380.0000 -216.01296 -207.18267 8.83029 2.62013 -207.76235 782.28670
3385.0000 -215.66884 -205.77233 9.89651 2.67854 -206.60674 828.07097
3390.0000 -215.33667 -206.10776 9.22891 2.71043 -205.97582 838.43094
3395.0000 -216.31636 -208.70670 7.60966 2.64068 -207.35584 804.76997
3400.0000 -214.85623 -205.83705 9.01918 2.69654 -206.25076 811.45485
3405.0000 -213.97077 -203.26727 10.70350 2.82129 -203.78259 900.05746
3410.0000 -217.37393 -206.47429 10.89964 2.76646 -204.86740 883.71685
3415.0000 -217.40329 -209.67643 7.72686 2.57260 -208.70288 771.53681
3420.0000 -217.82646 -210.28592 7.54054 2.53334 -209.47953 750.68176
3425.0000 -217.93881 -208.78862 9.15019 2.55760 -208.99951 743.33764
3430.0000 -217.48663 -208.26938 9.21725 2.57237 -208.70732 771.03764
3435.0000 -216.64129 -208.37066 8.27063 2.57218 -208.71109 760.23440
3440.0000 -216.81617 -208.51806 8.29811 2.63991 -207.37102 811.87921
3445.0000 -218.59140 -209.18121 9.41019 2.53168 -209.51228 759.92726
3450.0000 -218.03554 -210.18858 7.84696 2.48711 -210.39412 723.77208
3455.0000 -216.97494 -207.78652 9.18843 2.53837 -209.38000 752.71155
3460.0000 -215.39370 -206.73670 8.65700 2.66915 -206.79264 810.18664
3465.0000 -216.44853 -207.30668 9.14186 2.64977 -207.17598 796.58020
3470.0000 -216.05444 -206.27061 9.78383 2.65761 -207.02082 823.37247
3475.0000 -217.49541 -209.19210 8.30331 2.59260 -208.30711 791.84808
3480.0000 -217.01704 -209.72820 7.28884 2.51374 -209.86727 737.36192
3485.0000 -216.10907 -207.75834 8.35073 2.58861 -208.38595 765.60930
3490.0000 -218.14729 -209.20752 8.93977 2.58613 -208.43502 798.43691
3495.0000 -218.18726 -209.86704 8.32021 2.55290 -209.09252 747.89633
3500.0000 -216.47304 -207.86335 8.60969 2.56139 -208.92457 747.37720
FREEZING PROCESS: loop number 15 T-loop= 761.00000000000000
main_MD> interactions number 15 at Temperature= 761.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.42503 -6.34871 2.50329
force_rgl> df(natom) 0.71420 -0.88251 0.37047
3505.0000 -217.18211 -207.89408 9.28803 2.57849 -208.58622 777.79834
3510.0000 -216.60609 -208.03662 8.56947 2.62071 -207.75087 810.94121
3515.0000 -217.86576 -208.96527 8.90049 2.60955 -207.97170 792.94646
3520.0000 -218.71310 -210.55996 8.15314 2.51305 -209.88099 726.83701
3525.0000 -218.09545 -208.78675 9.30870 2.55476 -209.05567 746.67270
3530.0000 -216.73912 -208.52279 8.21633 2.58018 -208.55289 770.14153
3535.0000 -217.27969 -209.35504 7.92465 2.51174 -209.90678 725.28662
3540.0000 -217.15214 -208.85287 8.29926 2.55417 -209.06734 762.02900
3545.0000 -218.22238 -211.04682 7.17555 2.50255 -210.08869 726.15610
3550.0000 -217.77452 -209.45243 8.32209 2.49605 -210.21734 694.09525
3555.0000 -217.63910 -208.07315 9.56595 2.57222 -208.71037 774.02111
3560.0000 -217.41238 -208.55599 8.85639 2.54636 -209.22201 757.90517
3565.0000 -218.78994 -209.17035 9.61959 2.52747 -209.59575 731.14118
3570.0000 -218.52443 -211.14692 7.37751 2.52997 -209.54626 736.42389
3575.0000 -218.85571 -209.46317 9.39254 2.49583 -210.22154 722.20896
3580.0000 -219.19614 -209.61256 9.58358 2.56775 -208.79870 765.52851
3585.0000 -216.76148 -207.57772 9.18376 2.55241 -209.10227 751.14248
3590.0000 -215.69641 -206.99588 8.70054 2.64013 -207.36682 809.96571
3595.0000 -216.95667 -208.30088 8.65579 2.64058 -207.35778 808.16946
3600.0000 -217.73913 -209.65358 8.08555 2.55132 -209.12389 741.27985
3605.0000 -219.24968 -210.05391 9.19577 2.49201 -210.29720 729.13665
3610.0000 -217.61015 -210.12128 7.48887 2.48654 -210.40542 716.30828
3615.0000 -217.52922 -209.88921 7.64001 2.48565 -210.42309 735.70648
3620.0000 -217.76472 -209.87330 7.89143 2.50875 -209.96597 743.80768
3625.0000 -217.78113 -208.53770 9.24344 2.56429 -208.86722 770.09475
3630.0000 -216.15873 -207.71863 8.44010 2.62681 -207.63019 800.26987
3635.0000 -217.07615 -208.65566 8.42049 2.62127 -207.73983 800.24388
3640.0000 -216.52579 -208.34081 8.18499 2.56807 -208.79242 752.55956
3645.0000 -218.67931 -210.49004 8.18927 2.52944 -209.55673 730.58468
3650.0000 -218.17451 -208.89464 9.27987 2.52312 -209.68171 725.11188
3655.0000 -218.80681 -210.81467 7.99214 2.50841 -209.97270 725.45214
3660.0000 -217.73049 -209.15476 8.57573 2.52094 -209.72479 727.19238
3665.0000 -217.79842 -208.52898 9.26945 2.56268 -208.89908 757.69165
3670.0000 -219.08127 -210.60483 8.47645 2.50204 -210.09882 735.10653
3675.0000 -216.82403 -209.53304 7.29099 2.51722 -209.79852 737.74219
3680.0000 -219.54479 -210.74659 8.79820 2.53715 -209.40414 737.56480
3685.0000 -217.90585 -208.73350 9.17234 2.50812 -209.97852 719.32314
3690.0000 -218.74942 -210.33548 8.41395 2.54178 -209.31246 734.78397
3695.0000 -217.82853 -209.35728 8.47125 2.51681 -209.80657 711.47174
3700.0000 -218.33222 -209.71863 8.61359 2.53717 -209.40382 741.86738
3705.0000 -217.23314 -209.24725 7.98589 2.51423 -209.85760 724.31683
3710.0000 -217.41991 -208.49601 8.92390 2.57957 -208.56492 773.90514
3715.0000 -217.72048 -207.07661 10.64387 2.61966 -207.77174 824.23927
3720.0000 -217.95780 -209.54603 8.41176 2.55022 -209.14560 762.60034
3725.0000 -218.44683 -208.47572 9.97110 2.56364 -208.88006 746.79226
3730.0000 -218.22064 -209.22908 8.99156 2.53846 -209.37815 728.79779
3735.0000 -216.97526 -207.83897 9.13629 2.56611 -208.83109 754.66177
3740.0000 -217.53799 -208.71255 8.82544 2.59327 -208.29385 773.46603
3745.0000 -216.52880 -209.55731 6.97149 2.59449 -208.26972 752.80259
3750.0000 -217.91493 -209.47216 8.44277 2.57419 -208.67125 744.16920
FREEZING PROCESS: loop number 16 T-loop= 736.00000000000000
main_MD> interactions number 16 at Temperature= 736.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.93845 -0.69492 1.27325
force_rgl> df(natom) 0.39286 -1.79327 -0.78708
3755.0000 -216.76753 -209.55554 7.21199 2.54271 -209.29413 744.29494
3760.0000 -218.53972 -210.79762 7.74210 2.54276 -209.29312 751.23037
3765.0000 -218.36184 -211.25218 7.10966 2.45976 -210.93524 679.68218
3770.0000 -217.30616 -208.81623 8.48993 2.57050 -208.74424 771.00305
3775.0000 -218.28489 -208.75225 9.53265 2.55826 -208.98650 763.18995
3780.0000 -216.42282 -207.71386 8.70896 2.59975 -208.16564 767.29661
3785.0000 -218.65490 -209.37404 9.28086 2.57484 -208.65844 748.92849
3790.0000 -218.27674 -211.50212 6.77463 2.51796 -209.78374 740.16736
3795.0000 -219.33929 -211.25765 8.08165 2.44982 -211.13185 705.61457
3800.0000 -217.87706 -211.02539 6.85167 2.43966 -211.33285 686.17540
3805.0000 -219.44459 -211.82515 7.61944 2.41901 -211.74153 653.08324
3810.0000 -218.90399 -210.76921 8.13478 2.47761 -210.58208 720.64575
3815.0000 -218.87401 -209.29141 9.58259 2.47778 -210.57867 714.00666
3820.0000 -216.28488 -207.71613 8.56875 2.60398 -208.08194 794.32044
3825.0000 -217.32162 -208.32530 8.99632 2.57541 -208.64727 752.60073
3830.0000 -217.61601 -209.82976 7.78625 2.57983 -208.55970 774.16959
3835.0000 -220.18891 -212.12963 8.05928 2.43172 -211.48998 668.71880
3840.0000 -218.88160 -210.35204 8.52956 2.42218 -211.67883 676.50655
3845.0000 -217.55796 -209.66310 7.89486 2.48836 -210.36950 712.90326
3850.0000 -217.29232 -208.48650 8.80582 2.58749 -208.40812 780.56718
3855.0000 -216.37834 -207.75002 8.62831 2.60856 -207.99137 764.66221
3860.0000 -218.45583 -208.74118 9.71466 2.58072 -208.54222 772.26421
3865.0000 -217.92605 -210.17044 7.75561 2.51243 -209.89316 742.28523
3870.0000 -219.43822 -209.92855 9.50967 2.49586 -210.22098 712.50920
3875.0000 -216.69297 -208.30599 8.38698 2.51622 -209.81818 696.61900
3880.0000 -216.78174 -208.84475 7.93699 2.56714 -208.81078 755.05631
3885.0000 -216.54594 -207.07933 9.46662 2.61213 -207.92075 799.64365
3890.0000 -216.86586 -207.37772 9.48813 2.62459 -207.67417 788.15443
3895.0000 -217.52197 -209.15748 8.36449 2.59861 -208.18824 796.57187
3900.0000 -218.56370 -210.10452 8.45918 2.49922 -210.15457 719.32971
3905.0000 -218.32571 -210.57521 7.75050 2.47569 -210.62001 700.56678
3910.0000 -218.02129 -210.20540 7.81590 2.48521 -210.43180 706.48875
3915.0000 -215.73783 -208.12245 7.61537 2.56479 -208.85736 757.04872
3920.0000 -217.52667 -208.58118 8.94549 2.55868 -208.97822 742.48471
3925.0000 -217.35771 -208.67018 8.68753 2.58124 -208.53190 783.57214
3930.0000 -218.37355 -209.47568 8.89787 2.60033 -208.15416 788.40382
3935.0000 -217.55303 -210.24498 7.30805 2.50889 -209.96315 708.28404
3940.0000 -218.84413 -210.56221 8.28192 2.48178 -210.49952 709.55631
3945.0000 -217.68704 -210.11148 7.57557 2.53777 -209.39179 746.14838
3950.0000 -218.68403 -211.14865 7.53538 2.50669 -210.00669 721.98333
3955.0000 -217.81145 -209.66165 8.14980 2.49083 -210.32064 700.22269
3960.0000 -218.66417 -210.87218 7.79200 2.52195 -209.70491 737.63568
3965.0000 -218.42715 -209.47832 8.94884 2.46301 -210.87103 711.44180
3970.0000 -219.03327 -210.75408 8.27919 2.51231 -209.89559 726.55558
3975.0000 -215.90713 -208.77480 7.13233 2.55408 -209.06924 767.09356
3980.0000 -217.23892 -208.27590 8.96303 2.58343 -208.48848 730.76337
3985.0000 -218.36325 -209.70841 8.65484 2.56932 -208.76769 760.89115
3990.0000 -218.24775 -210.03524 8.21251 2.49772 -210.18423 694.83845
3995.0000 -219.17978 -212.43410 6.74568 2.47014 -210.72979 701.60219
4000.0000 -219.68549 -209.33856 10.34693 2.46718 -210.78838 715.59729
FREEZING PROCESS: loop number 17 T-loop= 711.00000000000000
main_MD> interactions number 17 at Temperature= 711.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85678 1.26193 -1.11590
force_rgl> df(natom) 3.04591 0.06801 1.48466
4005.0000 -217.35115 -210.06743 7.28372 2.53340 -209.47840 731.43754
4010.0000 -217.22312 -209.94892 7.27420 2.49466 -210.24483 688.87125
4015.0000 -217.83682 -209.66787 8.16895 2.50828 -209.97541 718.49363
4020.0000 -218.88877 -211.42868 7.46010 2.46107 -210.90941 709.80630
4025.0000 -218.64327 -210.52291 8.12037 2.45183 -211.09213 696.36667
4030.0000 -218.81369 -210.81643 7.99726 2.47355 -210.66249 694.79019
4035.0000 -218.38003 -209.49487 8.88517 2.50339 -210.07205 731.52919
4040.0000 -219.71404 -211.25267 8.46136 2.48173 -210.50053 695.99899
4045.0000 -218.57492 -210.72155 7.85337 2.47801 -210.57415 706.54512
4050.0000 -218.14042 -210.65055 7.48987 2.49489 -210.24015 707.19515
4055.0000 -219.15838 -211.40618 7.75219 2.47596 -210.61465 698.16151
4060.0000 -218.34155 -210.03947 8.30208 2.46504 -210.83072 705.68947
4065.0000 -217.48886 -209.56199 7.92687 2.56638 -208.82589 751.79683
4070.0000 -217.21796 -208.44424 8.77372 2.53063 -209.53321 724.49644
4075.0000 -219.04819 -209.73424 9.31395 2.55486 -209.05378 759.66446
4080.0000 -218.05560 -210.17340 7.88220 2.50439 -210.05231 721.13057
4085.0000 -218.23029 -210.99190 7.23839 2.50934 -209.95435 715.00851
4090.0000 -218.79580 -211.17007 7.62573 2.46798 -210.77266 708.79696
4095.0000 -220.55765 -212.48169 8.07596 2.39417 -212.23295 679.46444
4100.0000 -221.42898 -213.31167 8.11732 2.38991 -212.31715 641.44990
4105.0000 -220.03301 -210.91512 9.11789 2.41815 -211.75839 688.91391
4110.0000 -218.26266 -210.27244 7.99022 2.51268 -209.88828 752.63166
4115.0000 -219.01164 -211.00820 8.00344 2.48000 -210.53491 691.45195
4120.0000 -218.91809 -211.05065 7.86744 2.45897 -210.95090 709.11762
4125.0000 -219.21507 -210.29810 8.91697 2.47133 -210.70630 722.60429
4130.0000 -218.19662 -209.89730 8.29931 2.49680 -210.20236 743.62810
4135.0000 -219.68922 -210.65329 9.03593 2.52475 -209.64950 749.74068
4140.0000 -218.72025 -210.46786 8.25239 2.46759 -210.78043 720.61887
4145.0000 -218.35357 -210.44502 7.90855 2.50576 -210.02517 744.62588
4150.0000 -219.51877 -211.92535 7.59343 2.46340 -210.86321 721.81964
4155.0000 -219.08744 -210.19293 8.89451 2.43751 -211.37552 696.05305
4160.0000 -218.44974 -209.69869 8.75105 2.48121 -210.51089 711.81147
4165.0000 -218.42410 -210.32869 8.09541 2.50389 -210.06218 735.02869
4170.0000 -217.94530 -209.70526 8.24004 2.47616 -210.61077 683.60742
4175.0000 -217.82394 -210.40414 7.41980 2.49274 -210.28276 702.81669
4180.0000 -218.25990 -210.47035 7.78955 2.47780 -210.57825 702.42860
4185.0000 -219.43737 -211.37058 8.06680 2.44594 -211.20873 689.47085
4190.0000 -217.97167 -210.32601 7.64565 2.48641 -210.40801 716.40830
4195.0000 -218.51988 -210.89913 7.62074 2.49604 -210.21754 709.35067
4200.0000 -218.53684 -211.64326 6.89358 2.45940 -210.94230 684.12658
4205.0000 -217.04199 -208.57931 8.46268 2.49045 -210.32808 728.57658
4210.0000 -218.35042 -209.98580 8.36462 2.54723 -209.20465 730.60071
4215.0000 -218.17144 -210.31300 7.85844 2.50185 -210.10257 723.70062
4220.0000 -218.58368 -210.52914 8.05455 2.49435 -210.25093 718.08521
4225.0000 -219.42933 -209.59328 9.83605 2.47161 -210.70089 709.74211
4230.0000 -218.37494 -209.74098 8.63395 2.50562 -210.02786 731.52128
4235.0000 -218.12853 -209.99023 8.13831 2.47111 -210.71067 711.06122
4240.0000 -217.91854 -208.91983 8.99870 2.52398 -209.66461 752.40035
4245.0000 -217.87209 -209.17624 8.69585 2.59771 -208.20594 788.53589
4250.0000 -217.74327 -209.86235 7.88092 2.54120 -209.32401 765.90183
FREEZING PROCESS: loop number 18 T-loop= 686.00000000000000
main_MD> interactions number 18 at Temperature= 686.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.80322 2.41443 1.40015
force_rgl> df(natom) -0.13884 0.92953 1.35308
4255.0000 -220.06808 -213.57082 6.49726 2.42563 -211.61054 680.88779
4260.0000 -221.42202 -213.32039 8.10163 2.32328 -213.63539 633.57510
4265.0000 -218.19478 -210.93064 7.26414 2.42336 -211.65533 675.51134
4270.0000 -219.25799 -210.99655 8.26145 2.50561 -210.02823 727.28865
4275.0000 -219.50950 -211.23227 8.27723 2.45005 -211.12741 687.51628
4280.0000 -218.91644 -212.09767 6.81877 2.39701 -212.17676 676.03121
4285.0000 -219.22687 -212.26796 6.95891 2.39466 -212.22315 654.60630
4290.0000 -220.15016 -213.28013 6.87003 2.37252 -212.66124 633.60027
4295.0000 -219.85517 -212.43945 7.41572 2.39760 -212.16497 660.19988
4300.0000 -219.83299 -211.99662 7.83637 2.38374 -212.43919 643.10039
4305.0000 -218.74046 -210.65147 8.08899 2.40470 -212.02455 653.65739
4310.0000 -216.86664 -209.34338 7.52326 2.51096 -209.92223 732.00517
4315.0000 -217.60600 -208.35248 9.25352 2.55856 -208.98062 770.03668
4320.0000 -217.79900 -210.24842 7.55058 2.52406 -209.66303 735.96223
4325.0000 -216.71520 -208.49360 8.22160 2.49063 -210.32455 707.37456
4330.0000 -218.08338 -209.69812 8.38526 2.58690 -208.41985 762.13956
4335.0000 -218.92072 -211.00652 7.91420 2.48725 -210.39144 685.28282
4340.0000 -219.18138 -212.05338 7.12799 2.43412 -211.44256 697.84496
4345.0000 -218.52556 -211.00790 7.51766 2.47965 -210.54172 708.25397
4350.0000 -217.10436 -208.96159 8.14276 2.53541 -209.43856 726.78485
4355.0000 -218.24455 -210.11688 8.12767 2.48884 -210.36000 713.91656
4360.0000 -219.34809 -210.11461 9.23347 2.51114 -209.91876 725.80586
4365.0000 -219.25475 -210.86379 8.39096 2.48661 -210.40395 708.41844
4370.0000 -217.35915 -210.55073 6.80842 2.48256 -210.48415 709.59045
4375.0000 -220.31948 -213.32655 6.99294 2.38558 -212.40282 645.74008
4380.0000 -219.29573 -212.40347 6.89226 2.37578 -212.59682 652.91661
4385.0000 -218.98800 -211.48978 7.49821 2.41261 -211.86806 669.80546
4390.0000 -219.53348 -211.32005 8.21343 2.42617 -211.59984 714.64909
4395.0000 -218.85662 -210.63736 8.21925 2.44758 -211.17624 718.59999
4400.0000 -220.41952 -211.97100 8.44853 2.43660 -211.39353 698.23586
4405.0000 -218.24766 -209.98819 8.25947 2.43455 -211.43391 697.01167
4410.0000 -218.07486 -210.15494 7.91992 2.46423 -210.84684 701.96049
4415.0000 -217.97087 -210.91101 7.05986 2.50234 -210.09288 717.66807
4420.0000 -219.38273 -212.13353 7.24920 2.43207 -211.48315 681.81627
4425.0000 -219.10817 -211.34463 7.76354 2.40177 -212.08252 647.31355
4430.0000 -219.08593 -211.08195 8.00399 2.44973 -211.13376 703.27681
4435.0000 -217.55854 -209.53239 8.02615 2.47370 -210.65942 704.98904
4440.0000 -219.39733 -211.05700 8.34033 2.47465 -210.64066 713.69358
4445.0000 -220.65100 -212.05201 8.59899 2.42543 -211.61451 702.36865
4450.0000 -220.93515 -213.40426 7.53089 2.37610 -212.59032 663.65184
4455.0000 -219.03104 -212.07762 6.95343 2.39401 -212.23613 663.93407
4460.0000 -219.21471 -211.30187 7.91284 2.41642 -211.79265 691.33323
4465.0000 -219.90675 -212.16542 7.74132 2.42057 -211.71063 680.54974
4470.0000 -220.81694 -213.17142 7.64552 2.38680 -212.37877 659.87992
4475.0000 -221.52097 -213.47572 8.04525 2.32979 -213.50662 628.07555
4480.0000 -220.60806 -213.63121 6.97685 2.36071 -212.89480 641.17404
4485.0000 -219.67410 -212.91272 6.76138 2.37959 -212.52128 656.46533
4490.0000 -220.75225 -211.50158 9.25068 2.39161 -212.28354 655.47913
4495.0000 -219.06730 -212.00654 7.06077 2.41553 -211.81031 662.90976
4500.0000 -219.39055 -213.08462 6.30593 2.40818 -211.95580 656.93880
FREEZING PROCESS: loop number 19 T-loop= 661.00000000000000
main_MD> interactions number 19 at Temperature= 661.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28171 -1.10122 -0.52211
force_rgl> df(natom) -7.83060 -3.31576 0.83299
4505.0000 -219.94000 -213.34538 6.59462 2.35101 -213.08670 622.56411
4510.0000 -220.30502 -213.61148 6.69354 2.35931 -212.92250 644.07285
4515.0000 -219.71944 -211.82408 7.89536 2.35332 -213.04119 630.96531
4520.0000 -219.37637 -212.52000 6.85637 2.37900 -212.53310 653.01264
4525.0000 -217.71869 -209.70612 8.01257 2.45441 -211.04103 681.21562
4530.0000 -219.08776 -211.51149 7.57627 2.49515 -210.23499 731.54171
4535.0000 -220.58194 -212.28083 8.30111 2.42325 -211.65754 668.45002
4540.0000 -219.79096 -211.71522 8.07575 2.42099 -211.70224 670.88738
4545.0000 -220.10613 -211.95938 8.14674 2.42524 -211.61824 674.23535
4550.0000 -218.43263 -211.73134 6.70129 2.41439 -211.83284 662.36141
4555.0000 -220.19170 -212.60423 7.58747 2.37946 -212.52396 648.40683
4560.0000 -219.89907 -211.17684 8.72223 2.39826 -212.15194 669.41227
4565.0000 -219.63624 -212.06179 7.57445 2.41005 -211.91865 664.40498
4570.0000 -219.03770 -210.67442 8.36328 2.40889 -211.94174 658.04928
4575.0000 -218.72572 -210.52182 8.20390 2.45557 -211.01812 691.72290
4580.0000 -218.85403 -211.09613 7.75790 2.47008 -210.73107 713.94680
4585.0000 -219.58880 -211.52324 8.06555 2.43854 -211.35516 687.59485
4590.0000 -219.94135 -212.94724 6.99411 2.40965 -211.92659 670.16620
4595.0000 -221.37785 -214.25098 7.12687 2.31802 -213.73942 611.43901
4600.0000 -221.71447 -214.65485 7.05962 2.29406 -214.21357 619.27281
4605.0000 -220.07270 -212.38241 7.69029 2.34920 -213.12256 652.29815
4610.0000 -221.05998 -213.14870 7.91128 2.39462 -212.22392 658.09990
4615.0000 -222.24216 -216.03060 6.21156 2.29069 -214.28011 612.79544
4620.0000 -222.51751 -215.80493 6.71258 2.16478 -216.77123 549.35259
4625.0000 -221.65943 -214.37285 7.28658 2.21437 -215.79021 583.52214
4630.0000 -221.07438 -213.26754 7.80683 2.29869 -214.12182 644.72787
4635.0000 -220.66247 -213.92234 6.74013 2.35997 -212.90958 677.78415
4640.0000 -220.50581 -212.87765 7.62817 2.33777 -213.34873 632.14193
4645.0000 -219.72679 -212.79813 6.92866 2.34767 -213.15290 636.22207
4650.0000 -220.28487 -213.40742 6.87745 2.34072 -213.29038 630.40866
4655.0000 -221.28457 -214.00045 7.28412 2.30517 -213.99367 606.23773
4660.0000 -220.14746 -213.08774 7.05972 2.30133 -214.06978 617.01256
4665.0000 -220.44660 -212.88273 7.56387 2.37592 -212.59402 656.39533
4670.0000 -218.77357 -211.64999 7.12357 2.38854 -212.34429 651.23061
4675.0000 -220.51483 -211.40858 9.10625 2.44554 -211.21659 695.77313
4680.0000 -219.79590 -212.37691 7.41899 2.38746 -212.36563 674.53654
4685.0000 -219.35423 -211.00213 8.35210 2.41292 -211.86199 677.19778
4690.0000 -219.80447 -211.81338 7.99109 2.43650 -211.39546 707.43330
4695.0000 -219.34986 -211.79291 7.55694 2.38060 -212.50128 671.90157
4700.0000 -219.86378 -211.71758 8.14620 2.42357 -211.65118 702.65637
4705.0000 -221.26662 -213.30311 7.96351 2.37071 -212.69706 651.23911
4710.0000 -220.46975 -212.96832 7.50144 2.33741 -213.35593 628.74596
4715.0000 -219.33034 -211.93923 7.39111 2.42356 -211.65143 685.73063
4720.0000 -219.87745 -211.59787 8.27959 2.42362 -211.65022 667.55808
4725.0000 -220.62354 -212.95362 7.66992 2.36638 -212.78268 616.75301
4730.0000 -220.34951 -212.71435 7.63516 2.36116 -212.88603 623.61096
4735.0000 -220.59961 -212.64201 7.95760 2.36870 -212.73679 622.22225
4740.0000 -219.78671 -211.97265 7.81407 2.36755 -212.75955 641.51396
4745.0000 -219.27512 -212.12332 7.15180 2.40359 -212.04659 661.02860
4750.0000 -220.49270 -214.52467 5.96804 2.35886 -212.93146 642.67366
FREEZING PROCESS: loop number 20 T-loop= 636.00000000000000
main_MD> interactions number 20 at Temperature= 636.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55032 0.38282 -1.23667
force_rgl> df(natom) 0.99904 1.39750 -0.22941
4755.0000 -220.01032 -213.69072 6.31960 2.30532 -213.99076 592.70305
4760.0000 -220.71484 -214.03878 6.67606 2.32184 -213.66384 604.51999
4765.0000 -220.79863 -213.55401 7.24462 2.31981 -213.70407 603.73320
4770.0000 -220.17023 -212.79985 7.37037 2.35888 -212.93106 640.44167
4775.0000 -220.57171 -213.22119 7.35052 2.36582 -212.79377 631.81119
4780.0000 -220.50822 -213.19343 7.31479 2.35882 -212.93236 643.18059
4785.0000 -219.49898 -213.67592 5.82306 2.32064 -213.68772 618.17784
4790.0000 -219.49151 -211.38884 8.10267 2.37975 -212.51813 639.54649
4795.0000 -219.45587 -211.79706 7.65881 2.40082 -212.10138 643.85520
4800.0000 -219.45790 -212.37143 7.08647 2.39340 -212.24822 623.72073
4805.0000 -219.58682 -210.93994 8.64689 2.38479 -212.41840 627.89952
4810.0000 -219.83154 -212.47702 7.35452 2.41250 -211.87026 662.89811
4815.0000 -218.83480 -210.76669 8.06811 2.43415 -211.44187 695.34151
4820.0000 -218.66958 -210.51718 8.15241 2.46631 -210.80569 709.91658
4825.0000 -220.01978 -212.64331 7.37647 2.40040 -212.10968 682.59400
4830.0000 -220.36178 -212.09013 8.27165 2.36946 -212.72168 635.98118
4835.0000 -220.03895 -213.12099 6.91796 2.37081 -212.69511 642.80133
4840.0000 -220.35972 -212.54872 7.81101 2.37869 -212.53914 650.72939
4845.0000 -219.50920 -211.58038 7.92882 2.41150 -211.89003 671.67738
4850.0000 -221.05553 -212.59002 8.46551 2.39331 -212.24997 666.08753
4855.0000 -220.11845 -213.53514 6.58331 2.37222 -212.66711 654.74310
4860.0000 -220.85277 -213.17199 7.68078 2.33032 -213.49607 629.55309
4865.0000 -220.01654 -213.55517 6.46137 2.33049 -213.49274 606.30339
4870.0000 -220.74337 -213.63697 7.10640 2.31966 -213.70695 597.25365
4875.0000 -219.79641 -212.78882 7.00759 2.35237 -213.05981 627.91381
4880.0000 -220.09369 -213.47456 6.61913 2.34031 -213.29855 607.29071
4885.0000 -219.85582 -212.89507 6.96075 2.34310 -213.24326 624.54962
4890.0000 -217.97585 -210.97555 7.00030 2.44646 -211.19834 658.51836
4895.0000 -219.37920 -211.59398 7.78522 2.42005 -211.72085 651.18833
4900.0000 -219.47295 -210.91404 8.55892 2.42011 -211.71962 673.38023
4905.0000 -219.09194 -210.45445 8.63749 2.47994 -210.53603 705.23927
4910.0000 -218.46656 -211.34067 7.12589 2.45590 -211.01152 689.65653
4915.0000 -218.68691 -210.83432 7.85259 2.44280 -211.27077 693.94715
4920.0000 -219.21659 -211.36751 7.84908 2.46135 -210.90376 700.75543
4925.0000 -218.85007 -211.63735 7.21271 2.41817 -211.75807 658.61090
4930.0000 -219.31702 -211.27140 8.04561 2.40506 -212.01742 644.34064
4935.0000 -219.97911 -213.03275 6.94637 2.42328 -211.65699 680.05677
4940.0000 -219.89260 -211.82915 8.06345 2.39717 -212.17348 657.78040
4945.0000 -220.65662 -213.22623 7.43039 2.34847 -213.13709 647.82301
4950.0000 -219.47897 -212.25110 7.22787 2.37966 -212.52003 643.20358
4955.0000 -220.86408 -214.04951 6.81458 2.37273 -212.65710 628.81981
4960.0000 -220.47312 -214.69125 5.78188 2.27320 -214.62621 566.29239
4965.0000 -222.12551 -215.49668 6.62883 2.27081 -214.67357 599.63160
4970.0000 -221.42687 -214.44464 6.98223 2.27589 -214.57306 597.66176
4975.0000 -219.91959 -214.05536 5.86423 2.28290 -214.43430 582.84539
4980.0000 -221.62891 -214.07773 7.55118 2.29456 -214.20369 604.95990
4985.0000 -221.77747 -214.77697 7.00050 2.25803 -214.92633 569.28603
4990.0000 -220.82510 -213.15199 7.67311 2.30182 -214.06004 611.45863
4995.0000 -221.21236 -213.41294 7.79941 2.33123 -213.47818 623.48685
5000.0000 -220.86627 -213.54033 7.32594 2.33583 -213.38708 651.52696
FREEZING PROCESS: loop number 21 T-loop= 611.00000000000000
main_MD> interactions number 21 at Temperature= 611.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29126 -0.75921 -0.60258
force_rgl> df(natom) -3.37569 4.92306 -0.37436
5005.0000 -219.52344 -212.42584 7.09760 2.37635 -212.58539 667.17265
5010.0000 -220.19682 -213.66502 6.53179 2.33496 -213.40429 629.72457
5015.0000 -221.43979 -213.97616 7.46364 2.29861 -214.12342 606.26804
5020.0000 -221.38421 -214.66427 6.71994 2.27763 -214.53852 581.69031
5025.0000 -220.77968 -212.84263 7.93704 2.33834 -213.33750 642.87107
5030.0000 -222.94823 -215.15784 7.79039 2.34587 -213.18851 620.10162
5035.0000 -221.42632 -214.27839 7.14793 2.27109 -214.66787 596.39677
5040.0000 -221.72401 -214.67677 7.04724 2.30813 -213.93521 608.13358
5045.0000 -221.20043 -214.53161 6.66882 2.27730 -214.54509 590.62608
5050.0000 -221.68877 -214.89768 6.79109 2.32422 -213.61692 618.02678
5055.0000 -220.96178 -214.53902 6.42276 2.26706 -214.74773 562.42867
5060.0000 -221.82015 -215.96399 5.85615 2.24839 -215.11700 554.26747
5065.0000 -222.22365 -215.52722 6.69643 2.24022 -215.27871 554.86508
5070.0000 -220.81169 -214.04221 6.76948 2.30703 -213.95686 600.42904
5075.0000 -220.71795 -213.81921 6.89874 2.28558 -214.38125 583.99614
5080.0000 -220.59588 -213.89536 6.70052 2.28788 -214.33586 603.26651
5085.0000 -220.69333 -213.89794 6.79540 2.30865 -213.92477 604.64181
5090.0000 -221.91827 -214.53970 7.37857 2.27053 -214.67912 582.93298
5095.0000 -220.93992 -213.98903 6.95089 2.27249 -214.64030 584.99866
5100.0000 -221.20812 -214.91242 6.29570 2.28884 -214.31678 603.04879
5105.0000 -220.28981 -212.79674 7.49307 2.32007 -213.69893 617.58500
5110.0000 -221.86626 -215.88716 5.97910 2.30695 -213.95841 609.12431
5115.0000 -222.31406 -214.74667 7.56738 2.24266 -215.23050 577.21331
5120.0000 -220.19652 -213.72198 6.47454 2.28059 -214.47999 602.94770
5125.0000 -221.81395 -214.68069 7.13326 2.28408 -214.41094 610.02556
5130.0000 -221.63997 -214.92154 6.71843 2.25959 -214.89554 565.00545
5135.0000 -221.15779 -213.17484 7.98295 2.30416 -214.01366 594.32389
5140.0000 -221.62173 -214.38895 7.23278 2.31377 -213.82359 620.25001
5145.0000 -220.32086 -214.18111 6.13975 2.31831 -213.73370 611.55364
5150.0000 -220.06387 -213.25747 6.80640 2.32163 -213.66804 608.32040
5155.0000 -220.24863 -213.64823 6.60040 2.34420 -213.22156 623.92791
5160.0000 -221.64391 -213.83020 7.81371 2.32957 -213.51088 589.25711
5165.0000 -220.70394 -214.12504 6.57890 2.34057 -213.29336 609.48202
5170.0000 -221.31382 -214.58628 6.72754 2.25617 -214.96306 587.54525
5175.0000 -220.45155 -214.92803 5.52352 2.29170 -214.26030 585.32598
5180.0000 -220.27244 -213.41980 6.85264 2.29434 -214.20790 587.67772
5185.0000 -219.79757 -213.64176 6.15582 2.32692 -213.56338 627.56562
5190.0000 -221.28207 -213.93971 7.34236 2.32511 -213.59929 626.28669
5195.0000 -220.92385 -214.03642 6.88743 2.27626 -214.56568 579.93532
5200.0000 -220.46469 -212.87416 7.59053 2.33076 -213.48737 604.62408
5205.0000 -220.52582 -213.25624 7.26957 2.33919 -213.32059 612.16553
5210.0000 -220.84317 -212.92646 7.91671 2.35017 -213.10350 638.87042
5215.0000 -219.07193 -211.42326 7.64867 2.36702 -212.77015 651.41057
5220.0000 -221.11968 -213.28503 7.83465 2.39128 -212.29012 653.16959
5225.0000 -220.97033 -213.75942 7.21090 2.35558 -212.99630 618.43641
5230.0000 -220.79202 -213.63438 7.15764 2.33963 -213.31189 633.60317
5235.0000 -220.53243 -214.78495 5.74748 2.29506 -214.19366 583.02963
5240.0000 -220.47933 -213.74437 6.73496 2.30725 -213.95253 606.35519
5245.0000 -220.64584 -213.90697 6.73887 2.29693 -214.15681 621.34296
5250.0000 -221.35516 -214.41652 6.93864 2.29962 -214.10361 595.90093
FREEZING PROCESS: loop number 22 T-loop= 586.00000000000000
main_MD> interactions number 22 at Temperature= 586.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.66692 0.88899 0.35624
force_rgl> df(natom) -2.88117 -1.54832 0.23260
5255.0000 -222.37589 -214.97123 7.40466 2.25625 -214.96163 586.68989
5260.0000 -219.76262 -213.07120 6.69143 2.30129 -214.07038 608.65939
5265.0000 -220.38709 -213.50506 6.88203 2.32844 -213.53339 594.36742
5270.0000 -220.80365 -214.26105 6.54260 2.32387 -213.62380 588.25724
5275.0000 -220.42420 -213.91972 6.50447 2.33787 -213.34686 575.66060
5280.0000 -220.94689 -213.91916 7.02773 2.33511 -213.40135 623.26580
5285.0000 -222.25848 -215.26887 6.98962 2.29084 -214.27717 604.38761
5290.0000 -220.49813 -214.71558 5.78255 2.26220 -214.84378 578.85111
5295.0000 -220.45204 -213.78904 6.66300 2.29540 -214.18700 600.42519
5300.0000 -221.39378 -214.46524 6.92854 2.30979 -213.90240 625.38062
5305.0000 -222.16647 -216.06468 6.10179 2.26692 -214.75046 585.38737
5310.0000 -222.71189 -215.84107 6.87083 2.21046 -215.86742 556.91825
5315.0000 -221.17585 -215.39015 5.78570 2.22142 -215.65063 586.70366
5320.0000 -223.33337 -216.72208 6.61129 2.17419 -216.58510 544.55497
5325.0000 -221.48637 -215.14638 6.33999 2.24232 -215.23723 586.64446
5330.0000 -221.42524 -214.86890 6.55634 2.25640 -214.95857 595.55904
5335.0000 -221.82039 -214.52223 7.29816 2.24650 -215.15454 597.38454
5340.0000 -221.81473 -213.97408 7.84065 2.29761 -214.14328 618.33271
5345.0000 -221.92606 -215.59173 6.33433 2.22334 -215.61275 566.41565
5350.0000 -222.20579 -215.96978 6.23600 2.24819 -215.12104 588.82410
5355.0000 -222.74126 -216.33662 6.40465 2.19875 -216.09915 559.93108
5360.0000 -223.66892 -216.81433 6.85459 2.17152 -216.63782 557.49846
5365.0000 -222.39275 -215.30040 7.09235 2.20924 -215.89163 585.80001
5370.0000 -221.02991 -214.06371 6.96620 2.27355 -214.61936 589.27023
5375.0000 -220.51529 -214.33555 6.17974 2.28584 -214.37607 591.84983
5380.0000 -221.28416 -215.02539 6.25876 2.27153 -214.65919 586.79130
5385.0000 -222.11622 -215.18336 6.93286 2.24812 -215.12249 589.16028
5390.0000 -222.09249 -213.68669 8.40580 2.27049 -214.67992 605.56104
5395.0000 -220.79214 -213.62500 7.16715 2.28406 -214.41129 617.98604
5400.0000 -222.24192 -214.94991 7.29202 2.27713 -214.54848 615.73621
5405.0000 -220.74324 -214.67723 6.06601 2.23527 -215.37654 574.74387
5410.0000 -220.96084 -214.56302 6.39782 2.26847 -214.71984 565.23345
5415.0000 -222.20590 -216.65539 5.55052 2.23869 -215.30890 571.68255
5420.0000 -222.25896 -215.47816 6.78080 2.18401 -216.39085 558.82423
5425.0000 -220.69923 -213.84042 6.85881 2.26354 -214.81739 596.73360
5430.0000 -219.65324 -212.92657 6.72666 2.31810 -213.73795 636.57712
5435.0000 -222.72841 -215.28256 7.44585 2.32631 -213.57547 630.60856
5440.0000 -222.91170 -214.89452 8.01717 2.25866 -214.91391 578.31282
5445.0000 -220.88537 -214.51337 6.37200 2.28627 -214.36766 596.38257
5450.0000 -220.71101 -214.58934 6.12167 2.27766 -214.53797 569.80180
5455.0000 -221.56788 -214.08584 7.48203 2.30061 -214.08389 580.21849
5460.0000 -220.93267 -214.98032 5.95235 2.25524 -214.98145 572.44991
5465.0000 -221.25493 -214.06599 7.18894 2.27457 -214.59911 589.76194
5470.0000 -221.21186 -214.39191 6.81995 2.28377 -214.41700 576.74305
5475.0000 -221.88905 -215.64466 6.24439 2.27280 -214.63423 592.09794
5480.0000 -219.85104 -212.48812 7.36292 2.27849 -214.52148 579.47512
5485.0000 -220.26826 -214.08443 6.18383 2.34672 -213.17172 628.18047
5490.0000 -221.08073 -214.66754 6.41318 2.26768 -214.73542 596.33376
5495.0000 -221.79822 -215.35529 6.44293 2.23404 -215.40104 547.38410
5500.0000 -221.75345 -215.39211 6.36133 2.24306 -215.22254 566.52489
FREEZING PROCESS: loop number 23 T-loop= 561.00000000000000
main_MD> interactions number 23 at Temperature= 561.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.14951 0.26704 1.38985
force_rgl> df(natom) -1.68911 -1.40527 0.11309
5505.0000 -223.60470 -217.95926 5.64545 2.16048 -216.85640 526.38110
5510.0000 -222.85230 -217.59998 5.25232 2.12818 -217.49529 494.07055
5515.0000 -221.63032 -215.75788 5.87244 2.18965 -216.27922 542.86716
5520.0000 -222.23849 -215.66516 6.57333 2.23776 -215.32734 570.85569
5525.0000 -222.90595 -216.40099 6.50496 2.19207 -216.23130 519.54516
5530.0000 -222.40278 -216.88646 5.51632 2.17407 -216.58748 517.73287
5535.0000 -222.13888 -215.80656 6.33232 2.17651 -216.53925 499.29083
5540.0000 -221.35857 -215.49811 5.86046 2.19760 -216.12196 514.22772
5545.0000 -221.39238 -214.37532 7.01705 2.28980 -214.29775 586.44241
5550.0000 -222.73470 -216.17242 6.56228 2.23479 -215.38617 564.11690
5555.0000 -221.28241 -215.27497 6.00744 2.19890 -216.09627 546.78332
5560.0000 -222.46529 -216.39962 6.06566 2.23577 -215.36665 570.84317
5565.0000 -222.03280 -215.43114 6.60166 2.18036 -216.46301 524.90570
5570.0000 -221.39848 -215.57715 5.82134 2.24617 -215.16096 561.72857
5575.0000 -221.19936 -214.39327 6.80609 2.27695 -214.55202 572.09616
5580.0000 -221.17588 -214.65759 6.51829 2.27801 -214.53105 574.95269
5585.0000 -221.84008 -215.74429 6.09579 2.25060 -215.07335 567.87611
5590.0000 -221.76132 -215.03420 6.72712 2.26523 -214.78396 604.20192
5595.0000 -222.69283 -216.52355 6.16928 2.20357 -216.00374 557.14117
5600.0000 -221.67493 -215.40583 6.26909 2.24606 -215.16311 570.61616
5605.0000 -221.92749 -215.72940 6.19808 2.22423 -215.59497 552.52865
5610.0000 -221.80657 -214.96120 6.84538 2.22866 -215.50732 569.74706
5615.0000 -222.37659 -216.00954 6.36705 2.23255 -215.43049 570.57310
5620.0000 -221.75170 -215.55437 6.19732 2.20207 -216.03341 558.37725
5625.0000 -223.60455 -217.59413 6.01042 2.18075 -216.45529 549.59525
5630.0000 -223.10239 -217.24045 5.86193 2.15530 -216.95874 538.60023
5635.0000 -222.69431 -215.80465 6.88967 2.17630 -216.54336 557.21077
5640.0000 -222.21670 -215.85307 6.36363 2.23923 -215.29829 594.44518
5645.0000 -222.10103 -216.33970 5.76133 2.17242 -216.62015 522.18446
5650.0000 -223.23760 -215.70380 7.53380 2.20859 -215.90450 567.93411
5655.0000 -222.85757 -216.48649 6.37108 2.19239 -216.22506 572.68940
5660.0000 -221.82961 -214.93116 6.89845 2.23802 -215.32218 599.63320
5665.0000 -221.65103 -215.60899 6.04204 2.22961 -215.48863 593.19258
5670.0000 -222.60047 -216.18994 6.41053 2.19991 -216.07621 567.42971
5675.0000 -222.92223 -217.58288 5.33934 2.15132 -217.03759 545.66683
5680.0000 -223.53006 -217.77217 5.75789 2.13709 -217.31916 547.38498
5685.0000 -223.17967 -216.87198 6.30768 2.13592 -217.34223 541.51078
5690.0000 -223.46027 -217.47181 5.98846 2.16375 -216.79161 561.40635
5695.0000 -223.44433 -217.04444 6.39989 2.15225 -217.01923 551.56267
5700.0000 -221.56303 -215.71451 5.84851 2.20526 -215.97038 590.43723
5705.0000 -222.41560 -216.32046 6.09514 2.21565 -215.76474 571.72624
5710.0000 -222.22914 -215.38422 6.84492 2.21685 -215.74104 557.45224
5715.0000 -222.02353 -214.87051 7.15302 2.22797 -215.52105 574.81679
5720.0000 -222.02884 -215.88395 6.14489 2.19090 -216.25442 579.50046
5725.0000 -224.22459 -218.68549 5.53910 2.13653 -217.33019 553.83814
5730.0000 -223.27212 -216.90549 6.36663 2.11595 -217.73738 544.17787
5735.0000 -222.21244 -216.00838 6.20406 2.19221 -216.22853 544.93450
5740.0000 -222.39862 -215.03329 7.36534 2.21034 -215.86981 591.60190
5745.0000 -222.62318 -215.77472 6.84846 2.17599 -216.54944 573.49183
5750.0000 -222.27380 -215.60908 6.66472 2.21203 -215.83649 602.68339
FREEZING PROCESS: loop number 24 T-loop= 536.00000000000000
main_MD> interactions number 24 at Temperature= 536.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17857 -1.39769 0.95426
force_rgl> df(natom) -0.84540 -1.38294 1.67782
5755.0000 -222.85041 -215.88310 6.96731 2.21903 -215.69802 615.76918
5760.0000 -222.60299 -216.60852 5.99447 2.19633 -216.14703 576.94472
5765.0000 -222.47663 -216.94555 5.53108 2.16071 -216.85178 564.72485
5770.0000 -223.81895 -217.20653 6.61242 2.15219 -217.02026 571.48625
5775.0000 -222.57237 -216.34449 6.22788 2.17371 -216.59464 572.70665
5780.0000 -223.19058 -216.64781 6.54276 2.17626 -216.54405 580.06430
5785.0000 -223.69658 -217.52460 6.17198 2.13956 -217.27029 552.33953
5790.0000 -224.20389 -218.29847 5.90542 2.08724 -218.30523 503.80427
5795.0000 -224.01164 -216.70363 7.30801 2.14275 -217.20715 549.22547
5800.0000 -222.27107 -215.62101 6.65006 2.16724 -216.72261 552.25165
5805.0000 -223.66409 -217.08446 6.57962 2.20443 -215.98678 582.25502
5810.0000 -223.35889 -217.51240 5.84649 2.13400 -217.38022 526.79205
5815.0000 -223.74650 -217.95952 5.78698 2.11929 -217.67124 504.14686
5820.0000 -223.84226 -217.87945 5.96280 2.13147 -217.43035 519.93092
5825.0000 -222.78947 -216.50089 6.28858 2.14899 -217.08371 523.29620
5830.0000 -222.57743 -216.03757 6.53986 2.20088 -216.05698 555.19805
5835.0000 -222.21071 -216.30730 5.90341 2.18123 -216.44581 525.70830
5840.0000 -221.61926 -214.71581 6.90345 2.25424 -215.00126 579.41420
5845.0000 -221.59526 -215.19615 6.39911 2.25073 -215.07079 576.43939
5850.0000 -222.69861 -216.29867 6.39994 2.18077 -216.45486 521.38392
5855.0000 -221.72819 -215.54248 6.18571 2.20560 -215.96372 530.11593
5860.0000 -221.83588 -214.75404 7.08184 2.22841 -215.51230 565.06212
5865.0000 -221.66802 -214.44973 7.21829 2.28443 -214.40412 601.17110
5870.0000 -221.83749 -215.41927 6.41822 2.24108 -215.26174 560.33857
5875.0000 -222.39877 -216.48961 5.90916 2.20148 -216.04518 519.04901
5880.0000 -222.17661 -215.68209 6.49452 2.19686 -216.13660 525.24832
5885.0000 -222.62970 -215.74508 6.88462 2.20419 -215.99149 545.73921
5890.0000 -222.35583 -216.61283 5.74300 2.20687 -215.93842 542.79915
5895.0000 -221.63273 -216.01735 5.61538 2.21260 -215.82508 542.96535
5900.0000 -222.74427 -216.23420 6.51007 2.20367 -216.00175 545.10108
5905.0000 -220.15040 -213.78717 6.36323 2.23601 -215.36204 568.46618
5910.0000 -221.75410 -214.83993 6.91417 2.27130 -214.66384 574.82561
5915.0000 -222.26750 -216.05621 6.21129 2.22058 -215.66722 527.00338
5920.0000 -223.16724 -216.45761 6.70963 2.18962 -216.27989 533.75298
5925.0000 -222.56649 -215.51769 7.04880 2.20796 -215.91698 552.73506
5930.0000 -222.45761 -216.69561 5.76200 2.18502 -216.37073 541.38096
5935.0000 -222.47680 -217.24190 5.23490 2.17996 -216.47098 537.38496
5940.0000 -223.06730 -216.65499 6.41231 2.13644 -217.33183 523.49795
5945.0000 -223.50225 -217.38840 6.11385 2.15961 -216.87355 565.25610
5950.0000 -225.22699 -217.62308 7.60391 2.11597 -217.73691 538.37423
5955.0000 -223.51729 -217.37005 6.14724 2.14124 -217.23690 567.42252
5960.0000 -223.64743 -217.48593 6.16150 2.08328 -218.38366 510.64929
5965.0000 -224.34257 -218.04601 6.29656 2.12815 -217.49589 536.35478
5970.0000 -222.49262 -216.67256 5.82007 2.12118 -217.63386 529.37977
5975.0000 -223.25433 -216.80012 6.45420 2.15007 -217.06235 549.99315
5980.0000 -223.67799 -217.27786 6.40013 2.13924 -217.27655 544.11420
5985.0000 -222.86859 -217.15304 5.71555 2.13414 -217.37740 528.67099
5990.0000 -223.00988 -217.25360 5.75628 2.14391 -217.18414 529.73844
5995.0000 -223.91569 -218.31055 5.60514 2.10228 -218.00780 512.82219
6000.0000 -223.06487 -217.13338 5.93149 2.09608 -218.13035 511.57304
FREEZING PROCESS: loop number 25 T-loop= 511.00000000000000
main_MD> interactions number 25 at Temperature= 511.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.13164 -0.94291 0.28138
force_rgl> df(natom) -2.14102 -1.35834 -1.64807
6005.0000 -222.76943 -216.99398 5.77545 2.14582 -217.14632 533.74716
6010.0000 -223.57561 -217.43625 6.13936 2.12813 -217.49626 534.38759
6015.0000 -224.26031 -218.70478 5.55553 2.08680 -218.31398 531.56924
6020.0000 -225.01101 -218.86132 6.14969 2.06928 -218.66057 514.94043
6025.0000 -222.84956 -217.60377 5.24579 2.10029 -218.04714 514.11203
6030.0000 -224.41245 -218.01703 6.39542 2.11980 -217.66111 548.24807
6035.0000 -223.91487 -218.17677 5.73811 2.08167 -218.41547 521.19369
6040.0000 -224.29785 -218.93361 5.36424 2.05656 -218.91238 501.67229
6045.0000 -223.65138 -218.46457 5.18681 2.06084 -218.82761 516.33859
6050.0000 -224.01739 -217.81765 6.19975 2.10757 -217.90307 536.53643
6055.0000 -224.37018 -219.18797 5.18221 2.06877 -218.67067 495.31421
6060.0000 -224.67033 -219.01657 5.65375 2.04413 -219.15830 483.40924
6065.0000 -224.66588 -219.01421 5.65166 2.05805 -218.88277 499.47335
6070.0000 -223.91467 -218.03005 5.88462 2.08542 -218.34132 508.96979
6075.0000 -224.58480 -217.71682 6.86798 2.09423 -218.16702 499.36295
6080.0000 -223.25534 -217.91506 5.34028 2.09835 -218.08557 488.52910
6085.0000 -222.06043 -216.70056 5.35986 2.14657 -217.13155 530.29578
6090.0000 -223.40030 -217.92903 5.47127 2.16079 -216.85022 528.44497
6095.0000 -223.60616 -217.50304 6.10311 2.10797 -217.89520 495.75540
6100.0000 -221.65932 -215.92554 5.73378 2.13897 -217.28185 516.68987
6105.0000 -222.83202 -216.87361 5.95841 2.19801 -216.11375 538.87060
6110.0000 -223.82421 -218.47930 5.34490 2.14419 -217.17865 517.22646
6115.0000 -223.87229 -217.43456 6.43773 2.06799 -218.68618 490.00906
6120.0000 -223.91249 -217.38170 6.53079 2.10552 -217.94363 524.16326
6125.0000 -224.01713 -217.78338 6.23375 2.12549 -217.54855 520.50227
6130.0000 -224.34278 -218.74148 5.60131 2.06457 -218.75378 492.21740
6135.0000 -225.29118 -219.34697 5.94421 2.04607 -219.11992 477.81852
6140.0000 -224.59809 -219.22621 5.37188 2.06308 -218.78325 486.65602
6145.0000 -224.41532 -219.31420 5.10111 2.05549 -218.93348 488.36329
6150.0000 -224.50216 -219.10941 5.39275 2.03025 -219.43274 466.89478
6155.0000 -223.54329 -217.65173 5.89156 2.08392 -218.37093 495.89148
6160.0000 -223.30948 -217.55560 5.75388 2.10384 -217.97681 524.33009
6165.0000 -223.92348 -218.43440 5.48908 2.11764 -217.70384 539.07155
6170.0000 -224.31014 -218.07299 6.23715 2.10486 -217.95669 525.55818
6175.0000 -224.41491 -218.84412 5.57078 2.08659 -218.31820 507.54271
6180.0000 -223.75593 -218.23512 5.52081 2.06102 -218.82403 501.14019
6185.0000 -224.51269 -218.34644 6.16625 2.09021 -218.24658 525.26072
6190.0000 -223.86600 -217.30557 6.56043 2.12668 -217.52504 556.23378
6195.0000 -223.87678 -217.73539 6.14140 2.12645 -217.52955 558.14839
6200.0000 -224.21950 -218.52572 5.69378 2.10190 -218.01526 539.48477
6205.0000 -223.26661 -217.01956 6.24705 2.10175 -218.01827 538.06266
6210.0000 -223.79462 -218.11967 5.67495 2.12289 -217.60003 547.16522
6215.0000 -223.96999 -217.89295 6.07704 2.08529 -218.34390 524.46442
6220.0000 -224.81471 -218.79041 6.02430 2.09249 -218.20148 530.68842
6225.0000 -224.30352 -218.23878 6.06474 2.10349 -217.98377 530.53837
6230.0000 -224.39453 -218.48492 5.90960 2.09106 -218.22966 515.99799
6235.0000 -224.75082 -218.85210 5.89872 2.07700 -218.50781 495.73025
6240.0000 -224.62750 -218.92597 5.70153 2.07555 -218.53661 512.47499
6245.0000 -224.15850 -218.20141 5.95709 2.07976 -218.45325 515.39854
6250.0000 -224.49006 -218.30934 6.18072 2.07626 -218.52262 510.15952
FREEZING PROCESS: loop number 26 T-loop= 486.00000000000000
main_MD> interactions number 26 at Temperature= 486.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.06892 2.61801 0.49771
force_rgl> df(natom) 0.40413 0.19157 -1.10826
6255.0000 -224.12897 -218.60946 5.51952 2.09612 -218.12957 519.22964
6260.0000 -225.10440 -220.46108 4.64332 2.03157 -219.40676 477.20219
6265.0000 -225.13016 -219.37276 5.75740 1.99529 -220.12443 458.07378
6270.0000 -225.19549 -219.34976 5.84572 2.04125 -219.21524 495.92918
6275.0000 -225.48152 -219.40279 6.07873 2.02444 -219.54767 478.48751
6280.0000 -224.50045 -219.08142 5.41902 2.05102 -219.02193 490.32427
6285.0000 -224.80632 -219.28953 5.51679 2.06627 -218.72025 500.39015
6290.0000 -224.89324 -219.94850 4.94474 2.03745 -219.29031 486.52101
6295.0000 -224.91638 -219.79743 5.11895 2.00083 -220.01479 464.81030
6300.0000 -225.13358 -219.52378 5.60980 2.01716 -219.69185 471.22427
6305.0000 -225.36396 -219.88940 5.47456 2.00471 -219.93813 459.91062
6310.0000 -224.83301 -218.51854 6.31447 2.05239 -218.99483 500.72465
6315.0000 -225.22975 -219.94592 5.28383 2.07759 -218.49615 519.00497
6320.0000 -224.63382 -219.70430 4.92952 2.01772 -219.68074 471.44013
6325.0000 -225.35579 -219.22113 6.13466 2.01234 -219.78717 471.76782
6330.0000 -224.05850 -218.92119 5.13731 2.05498 -218.94358 489.39206
6335.0000 -224.93317 -219.83496 5.09822 2.04270 -219.18652 473.08102
6340.0000 -224.25887 -218.93600 5.32287 2.03208 -219.39654 464.11503
6345.0000 -223.98158 -218.39924 5.58234 2.06530 -218.73945 496.61598
6350.0000 -223.70161 -217.75272 5.94889 2.05462 -218.95062 478.98488
6355.0000 -224.08862 -218.46327 5.62535 2.07295 -218.58800 482.72135
6360.0000 -225.34844 -219.96132 5.38712 2.04740 -219.09354 477.89823
6365.0000 -224.64050 -219.28864 5.35186 2.00293 -219.97323 444.61623
6370.0000 -223.67820 -218.83305 4.84515 2.03826 -219.27445 466.39340
6375.0000 -224.63057 -219.36888 5.26169 2.00677 -219.89744 446.26548
6380.0000 -224.59442 -218.25327 6.34115 2.08303 -218.38858 514.90783
6385.0000 -223.42261 -217.90048 5.52213 2.11376 -217.78059 531.17841
6390.0000 -224.36528 -218.59520 5.77008 2.08410 -218.36736 498.50041
6395.0000 -224.69460 -219.03813 5.65647 2.05651 -218.91325 487.39302
6400.0000 -224.23623 -219.16481 5.07142 2.06498 -218.74578 490.00967
6405.0000 -224.70524 -219.44916 5.25608 2.01191 -219.79570 448.89536
6410.0000 -224.27881 -219.26302 5.01578 2.03996 -219.24065 478.03558
6415.0000 -225.54498 -220.77921 4.76578 1.96502 -220.72336 422.27803
6420.0000 -224.98833 -219.87635 5.11198 2.00754 -219.88221 459.54804
6425.0000 -224.64544 -218.59019 6.05525 2.03403 -219.35799 485.17294
6430.0000 -224.00982 -219.02391 4.98591 2.06643 -218.71694 491.08219
6435.0000 -224.06520 -218.59218 5.47302 2.03931 -219.25366 463.70944
6440.0000 -224.34240 -219.18834 5.15406 2.06483 -218.74878 489.71933
6445.0000 -224.47365 -219.04336 5.43029 2.04673 -219.10672 469.57795
6450.0000 -223.90394 -218.82602 5.07792 2.05441 -218.95491 493.70441
6455.0000 -225.06019 -219.68080 5.37938 2.02619 -219.51316 484.05823
6460.0000 -224.65786 -219.11969 5.53817 2.01974 -219.64071 479.78084
6465.0000 -224.70833 -219.56464 5.14370 2.03004 -219.43693 461.07663
6470.0000 -224.33820 -218.48920 5.84900 2.06203 -218.80399 492.51476
6475.0000 -223.74688 -218.26332 5.48356 2.05419 -218.95917 492.54632
6480.0000 -225.19601 -219.95189 5.24411 2.03662 -219.30673 473.89078
6485.0000 -224.55477 -219.28070 5.27408 2.02677 -219.50174 477.32112
6490.0000 -224.57527 -219.68964 4.88563 2.01981 -219.63943 463.72636
6495.0000 -224.23578 -218.16255 6.07323 2.05286 -218.98552 495.79691
6500.0000 -224.70375 -219.42977 5.27399 2.10462 -217.96150 523.28062
FREEZING PROCESS: loop number 27 T-loop= 461.00000000000000
main_MD> interactions number 27 at Temperature= 461.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19651 1.50238 0.07659
force_rgl> df(natom) 0.15526 2.89892 1.02530
6505.0000 -224.70510 -219.35150 5.35360 2.02405 -219.55559 468.18962
6510.0000 -225.88113 -220.40527 5.47587 1.99350 -220.15996 448.90232
6515.0000 -225.31758 -220.14939 5.16819 1.98008 -220.42534 441.16474
6520.0000 -224.48344 -219.28972 5.19373 2.01414 -219.75146 459.16069
6525.0000 -224.69234 -219.00091 5.69143 2.04197 -219.20087 463.63181
6530.0000 -224.44690 -219.56852 4.87837 2.04370 -219.16663 456.76190
6535.0000 -224.59935 -219.60604 4.99330 2.02227 -219.59061 451.25244
6540.0000 -224.63258 -219.96678 4.66579 1.99599 -220.11072 435.89974
6545.0000 -225.90533 -221.49301 4.41232 1.96054 -220.81206 415.76881
6550.0000 -225.48504 -220.74813 4.73691 1.95167 -220.98751 406.14431
6555.0000 -225.16875 -219.74978 5.41897 2.01147 -219.80433 452.33667
6560.0000 -224.72783 -220.29615 4.43168 1.99026 -220.22393 444.59203
6565.0000 -225.40341 -220.81106 4.59235 1.97828 -220.46095 429.16422
6570.0000 -224.19438 -218.92613 5.26825 2.00418 -219.94850 444.52524
6575.0000 -224.31804 -218.65693 5.66111 2.08143 -218.42024 504.73902
6580.0000 -224.85838 -218.96313 5.89525 2.05032 -219.03585 487.00077
6585.0000 -224.15717 -217.68692 6.47025 2.12142 -217.62900 540.00810
6590.0000 -224.70612 -219.54096 5.16516 2.06272 -218.79043 481.03148
6595.0000 -225.17344 -220.21413 4.95931 2.00072 -220.01697 443.49825
6600.0000 -225.04590 -220.53700 4.50890 1.99127 -220.20395 442.50231
6605.0000 -224.82357 -219.52995 5.29362 1.98967 -220.23571 445.63210
6610.0000 -226.20150 -219.81107 6.39043 1.99527 -220.12494 457.83134
6615.0000 -225.69567 -220.79439 4.90128 1.99900 -220.05101 457.66224
6620.0000 -225.72678 -220.83600 4.89078 1.99139 -220.20158 444.51853
6625.0000 -225.25030 -219.98553 5.26477 2.00616 -219.90933 450.44597
6630.0000 -223.71633 -217.83225 5.88408 2.04924 -219.05706 487.97641
6635.0000 -223.84916 -217.78843 6.06072 2.07865 -218.47524 494.77504
6640.0000 -224.53411 -218.72542 5.80869 2.09996 -218.05361 522.72184
6645.0000 -224.57808 -219.56027 5.01781 2.04764 -219.08878 485.59504
6650.0000 -225.02577 -218.71438 6.31139 2.02411 -219.55429 469.75819
6655.0000 -224.07199 -219.34724 4.72475 2.04986 -219.04481 484.93353
6660.0000 -225.17509 -219.84189 5.33319 2.02179 -219.60016 468.88976
6665.0000 -225.39983 -220.63560 4.76423 1.99102 -220.20891 443.54465
6670.0000 -225.68015 -220.74139 4.93877 1.96684 -220.68744 430.37120
6675.0000 -225.00350 -220.03658 4.96692 1.98052 -220.41676 440.89517
6680.0000 -225.38703 -220.94526 4.44177 1.97201 -220.58513 428.73096
6685.0000 -224.77270 -219.63603 5.13667 2.00672 -219.89831 445.68493
6690.0000 -224.61454 -219.77788 4.83666 2.01341 -219.76608 458.41174
6695.0000 -224.89626 -219.85185 5.04440 2.02996 -219.43864 471.27037
6700.0000 -224.79813 -218.99784 5.80029 2.03200 -219.39826 466.02844
6705.0000 -225.30132 -219.82615 5.47517 2.03563 -219.32629 473.46436
6710.0000 -224.56744 -218.57185 5.99558 2.03286 -219.38113 474.18470
6715.0000 -224.59482 -218.69853 5.89629 2.07053 -218.63592 506.53780
6720.0000 -225.15609 -219.94265 5.21344 2.04893 -219.06319 483.68961
6725.0000 -224.54854 -218.89120 5.65734 2.02153 -219.60539 455.73330
6730.0000 -224.65356 -219.78904 4.86452 2.03617 -219.31574 474.35218
6735.0000 -224.40899 -219.22239 5.18660 2.02921 -219.45349 473.11642
6740.0000 -224.80520 -219.31117 5.49404 2.03180 -219.40211 476.28613
6745.0000 -224.51718 -219.37777 5.13941 2.06114 -218.82169 491.49385
6750.0000 -224.54870 -218.87883 5.66987 2.01346 -219.76498 449.12549
FREEZING PROCESS: loop number 28 T-loop= 436.00000000000000
main_MD> interactions number 28 at Temperature= 436.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12438 2.36428 -0.72403
force_rgl> df(natom) -2.79167 3.46468 -1.25671
6755.0000 -224.85834 -220.19701 4.66132 2.02804 -219.47657 466.33191
6760.0000 -226.04045 -221.30197 4.73848 1.96293 -220.76468 415.68008
6765.0000 -225.74326 -221.19864 4.54463 1.95225 -220.97604 413.33645
6770.0000 -224.55913 -219.84462 4.71451 1.98879 -220.25311 427.40648
6775.0000 -225.46732 -220.72236 4.74496 1.99037 -220.22177 437.74782
6780.0000 -225.60363 -220.89786 4.70577 1.97424 -220.54101 422.49179
6785.0000 -225.23420 -220.16599 5.06821 1.97625 -220.50116 416.96680
6790.0000 -225.58779 -220.54803 5.03977 2.00280 -219.97584 441.04760
6795.0000 -225.08125 -220.91584 4.16541 1.94485 -221.12240 406.79431
6800.0000 -225.22383 -220.76358 4.46025 1.98206 -220.38632 432.64370
6805.0000 -225.70162 -221.17581 4.52581 1.95097 -221.00130 421.80596
6810.0000 -225.56051 -220.29031 5.27020 1.96261 -220.77098 424.94914
6815.0000 -226.14488 -220.73759 5.40729 1.97227 -220.58002 440.17472
6820.0000 -225.99388 -221.00527 4.98860 1.96785 -220.66741 442.78677
6825.0000 -225.16277 -220.79145 4.37133 1.95768 -220.86849 431.20643
6830.0000 -225.20785 -220.36855 4.83931 1.97476 -220.53070 443.31448
6835.0000 -225.79989 -221.14520 4.65469 1.98047 -220.41778 444.33879
6840.0000 -225.72322 -220.26404 5.45918 1.97063 -220.61230 445.97236
6845.0000 -225.50408 -220.64917 4.85490 1.96731 -220.67812 434.59030
6850.0000 -226.59268 -221.89700 4.69568 1.95163 -220.98832 422.90295
6855.0000 -226.14335 -221.20293 4.94042 1.93739 -221.27006 415.99646
6860.0000 -226.18045 -221.26264 4.91782 1.94793 -221.06150 420.33718
6865.0000 -226.16790 -221.21386 4.95404 1.95282 -220.96476 426.46017
6870.0000 -225.50288 -220.72158 4.78130 1.94097 -221.19921 415.57616
6875.0000 -226.01791 -221.09943 4.91849 1.92991 -221.41792 401.83983
6880.0000 -225.85307 -220.71659 5.13647 1.96129 -220.79708 427.65116
6885.0000 -226.03973 -221.78316 4.25657 1.94577 -221.10422 420.42698
6890.0000 -226.03074 -221.03810 4.99264 1.94019 -221.21451 411.98887
6895.0000 -225.97926 -220.75347 5.22579 1.94242 -221.17046 418.02428
6900.0000 -226.12804 -220.82292 5.30512 1.95812 -220.85983 430.26251
6905.0000 -225.67735 -221.15945 4.51790 1.95387 -220.94390 418.78673
6910.0000 -225.61603 -220.80915 4.80688 1.95209 -220.97919 420.44291
6915.0000 -227.00940 -222.13336 4.87604 1.93140 -221.38843 408.44165
6920.0000 -226.35544 -220.66702 5.68841 1.95467 -220.92807 426.43004
6925.0000 -226.13002 -221.18293 4.94709 1.94678 -221.08421 419.29181
6930.0000 -224.40658 -219.46232 4.94426 1.99280 -220.17382 452.27454
6935.0000 -225.11449 -219.86597 5.24853 2.02543 -219.52821 484.68691
6940.0000 -225.78117 -220.78875 4.99242 1.99089 -220.21150 451.77575
6945.0000 -225.93002 -220.47880 5.45122 1.99413 -220.14736 463.44762
6950.0000 -226.25858 -220.97684 5.28174 1.95632 -220.89547 420.05945
6955.0000 -225.19689 -220.55346 4.64343 1.96727 -220.67889 433.29732
6960.0000 -225.22061 -221.30022 3.92039 1.94425 -221.13432 415.78777
6965.0000 -225.07511 -219.92753 5.14759 1.96902 -220.64425 423.65188
6970.0000 -225.22054 -220.55964 4.66090 1.99491 -220.13192 449.44226
6975.0000 -225.80653 -221.53094 4.27559 1.94421 -221.13499 418.52373
6980.0000 -225.06507 -220.75360 4.31147 1.98896 -220.24971 451.97113
6985.0000 -225.38656 -220.65321 4.73336 1.97194 -220.58648 441.53045
6990.0000 -226.20177 -221.34849 4.85328 1.95480 -220.92555 423.62292
6995.0000 -224.95564 -220.21089 4.74474 1.93747 -221.26851 411.44027
7000.0000 -226.08509 -220.89245 5.19264 1.98700 -220.28845 446.50140
FREEZING PROCESS: loop number 29 T-loop= 411.00000000000000
main_MD> interactions number 29 at Temperature= 411.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38140 -0.08931 -1.21134
force_rgl> df(natom) -0.47612 0.30773 0.84976
7005.0000 -226.41391 -221.65526 4.75865 1.93771 -221.26371 418.61676
7010.0000 -226.05792 -220.51264 5.54527 1.95155 -220.98988 435.25203
7015.0000 -225.93215 -221.33461 4.59753 1.96805 -220.66339 444.09777
7020.0000 -225.69313 -221.13839 4.55474 1.95230 -220.97511 425.65289
7025.0000 -225.86031 -220.05529 5.80502 1.96258 -220.77162 437.75269
7030.0000 -225.86002 -221.88908 3.97093 1.97678 -220.49069 445.91031
7035.0000 -225.96213 -221.10579 4.85634 1.91054 -221.80122 393.29964
7040.0000 -225.97625 -222.25094 3.72531 1.90736 -221.86415 395.22316
7045.0000 -226.41996 -221.55719 4.86278 1.90448 -221.92106 388.22759
7050.0000 -225.44725 -220.18323 5.26402 1.96760 -220.67224 432.73706
7055.0000 -225.05920 -220.86318 4.19602 1.97904 -220.44597 441.87712
7060.0000 -225.30631 -221.39640 3.90991 1.95112 -220.99835 422.10260
7065.0000 -226.27853 -221.84224 4.43629 1.91702 -221.67308 401.26888
7070.0000 -226.12978 -221.58300 4.54678 1.91426 -221.72761 399.90366
7075.0000 -226.13088 -220.79242 5.33846 1.94366 -221.14593 423.96253
7080.0000 -225.35020 -220.01766 5.33254 1.96888 -220.64702 438.84029
7085.0000 -225.89688 -221.04324 4.85364 1.97471 -220.53162 449.53255
7090.0000 -226.36980 -221.40890 4.96089 1.96056 -220.81154 429.19361
7095.0000 -226.55388 -222.16753 4.38635 1.94128 -221.19300 413.79680
7100.0000 -226.56188 -222.00022 4.56166 1.91363 -221.74013 399.21103
7105.0000 -226.08171 -221.68603 4.39568 1.91222 -221.76793 394.83066
7110.0000 -226.02757 -220.95490 5.07267 1.96454 -220.73280 443.02484
7115.0000 -225.96496 -221.31460 4.65036 1.94293 -221.16045 420.05760
7120.0000 -225.66726 -221.07436 4.59291 1.94975 -221.02543 420.83190
7125.0000 -226.55374 -222.15154 4.40220 1.89746 -222.06004 377.34044
7130.0000 -226.26934 -222.25486 4.01447 1.89566 -222.09566 382.25237
7135.0000 -224.82603 -220.98986 3.83616 1.90603 -221.89048 392.86049
7140.0000 -225.86875 -220.82582 5.04293 1.95976 -220.82738 433.19365
7145.0000 -226.98548 -222.23705 4.74843 1.92329 -221.54887 409.20490
7150.0000 -226.70615 -222.19604 4.51012 1.87107 -222.58214 363.85013
7155.0000 -226.12507 -221.74723 4.37784 1.90216 -221.96694 383.61967
7160.0000 -225.75816 -221.02223 4.73593 1.92629 -221.48969 403.31231
7165.0000 -225.63122 -221.26292 4.36830 1.94044 -221.20970 412.62942
7170.0000 -225.82455 -220.89418 4.93037 1.93429 -221.33130 403.76059
7175.0000 -225.83148 -221.03236 4.79912 1.96230 -220.77717 433.43712
7180.0000 -226.33629 -221.56348 4.77281 1.98169 -220.39350 444.32994
7185.0000 -226.09016 -219.98305 6.10711 1.94335 -221.15202 415.56631
7190.0000 -224.63210 -219.10502 5.52707 2.00996 -219.83434 464.27750
7195.0000 -225.09847 -220.22895 4.86952 2.02490 -219.53874 472.15413
7200.0000 -225.90141 -221.15675 4.74466 1.95768 -220.86863 425.58419
7205.0000 -225.70278 -221.17832 4.52446 1.94417 -221.13584 418.48751
7210.0000 -226.01497 -221.92163 4.09334 1.92633 -221.48880 407.96333
7215.0000 -226.60690 -222.14748 4.45942 1.89214 -222.16533 376.35643
7220.0000 -225.13884 -220.70320 4.43565 1.92984 -221.41942 401.59321
7225.0000 -224.96866 -220.64056 4.32811 1.94916 -221.03704 425.33297
7230.0000 -226.90085 -222.33478 4.56607 1.91898 -221.63424 399.13444
7235.0000 -225.65768 -220.88400 4.77368 1.92842 -221.44738 408.64942
7240.0000 -225.95273 -220.86148 5.09124 1.95416 -220.93827 429.35576
7245.0000 -226.33335 -221.19406 5.13929 1.94481 -221.12318 421.17754
7250.0000 -226.18944 -221.97425 4.21518 1.90738 -221.86366 391.87882
FREEZING PROCESS: loop number 30 T-loop= 386.00000000000000
main_MD> interactions number 30 at Temperature= 386.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28871 -1.32817 0.78277
force_rgl> df(natom) -1.15178 1.40335 -2.91706
7255.0000 -226.17335 -221.84339 4.32996 1.89252 -222.15776 376.14920
7260.0000 -226.39739 -222.10366 4.29373 1.88613 -222.28407 375.18323
7265.0000 -226.53584 -221.85819 4.67766 1.89901 -222.02932 386.04881
7270.0000 -226.13131 -221.72704 4.40427 1.91501 -221.71272 395.58191
7275.0000 -226.89291 -222.98867 3.90424 1.88444 -222.31758 369.36798
7280.0000 -226.81884 -222.92109 3.89775 1.85136 -222.97196 348.13812
7285.0000 -226.50447 -221.67598 4.82849 1.90866 -221.83835 394.20615
7290.0000 -226.00565 -221.87124 4.13441 1.91426 -221.72761 400.64440
7295.0000 -226.55669 -221.72033 4.83636 1.89581 -222.09272 380.61246
7300.0000 -225.98781 -221.60291 4.38490 1.91862 -221.64141 396.78178
7305.0000 -226.37392 -222.20674 4.16718 1.92374 -221.53997 401.69566
7310.0000 -226.65935 -222.16034 4.49901 1.87841 -222.43697 369.82015
7315.0000 -225.80485 -221.48603 4.31882 1.90304 -221.94955 389.25759
7320.0000 -225.45286 -221.10301 4.34986 1.93550 -221.30735 412.02082
7325.0000 -226.68747 -222.54868 4.13879 1.91418 -221.72929 394.73454
7330.0000 -226.71276 -222.51733 4.19543 1.87475 -222.50929 369.96292
7335.0000 -226.45586 -222.92213 3.53373 1.85945 -222.81196 354.74701
7340.0000 -226.42195 -221.97896 4.44299 1.87613 -222.48190 367.54136
7345.0000 -226.88327 -222.62935 4.25392 1.88966 -222.21431 376.22875
7350.0000 -227.00744 -222.06043 4.94701 1.91061 -221.79992 386.58105
7355.0000 -225.91775 -221.04168 4.87607 1.90299 -221.95057 386.10638
7360.0000 -226.33397 -221.53207 4.80191 1.91812 -221.65125 396.69593
7365.0000 -226.07216 -221.30588 4.76627 1.91797 -221.65425 398.07498
7370.0000 -226.26609 -221.97061 4.29548 1.90076 -221.99477 388.71694
7375.0000 -225.75551 -220.71205 5.04346 1.91798 -221.65394 404.18108
7380.0000 -226.30868 -221.72160 4.58709 1.94078 -221.20300 419.83261
7385.0000 -227.07575 -222.03624 5.03951 1.89895 -222.03059 382.99281
7390.0000 -226.23611 -221.40676 4.82935 1.92351 -221.54458 402.03256
7395.0000 -226.58491 -222.13387 4.45104 1.89770 -222.05533 382.45012
7400.0000 -226.08824 -221.47883 4.60940 1.92353 -221.54414 401.56582
7405.0000 -226.16606 -221.25168 4.91439 1.91662 -221.68097 396.87347
7410.0000 -227.01532 -222.15750 4.85782 1.92654 -221.48470 399.77313
7415.0000 -226.78527 -222.45766 4.32761 1.86629 -222.67659 356.05131
7420.0000 -226.46933 -222.74411 3.72523 1.85965 -222.80802 349.06791
7425.0000 -226.54360 -222.34208 4.20152 1.86735 -222.65565 360.25223
7430.0000 -226.72365 -221.70200 5.02165 1.90514 -221.90795 390.09586
7435.0000 -227.15566 -222.05178 5.10387 1.91806 -221.65247 399.71368
7440.0000 -226.31329 -222.24070 4.07259 1.90039 -222.00207 385.84634
7445.0000 -226.73959 -222.03955 4.70004 1.89360 -222.13638 377.70111
7450.0000 -226.84907 -222.83953 4.00954 1.87848 -222.43543 363.98943
7455.0000 -225.87052 -221.25388 4.61663 1.88246 -222.35683 364.83195
7460.0000 -225.88142 -221.52991 4.35151 1.92243 -221.56606 401.64347
7465.0000 -225.75141 -221.01162 4.73979 1.91423 -221.72813 398.60766
7470.0000 -226.02079 -221.71210 4.30869 1.91507 -221.71152 396.12698
7475.0000 -226.40168 -222.30721 4.09447 1.89273 -222.15351 376.49118
7480.0000 -227.07098 -222.31628 4.75470 1.89570 -222.09482 385.56118
7485.0000 -226.26193 -222.02153 4.24040 1.88640 -222.27873 374.98320
7490.0000 -226.95499 -222.39537 4.55962 1.89354 -222.13753 380.40802
7495.0000 -226.82483 -222.48234 4.34249 1.88493 -222.30779 378.22135
7500.0000 -226.54630 -222.56574 3.98056 1.88038 -222.39792 368.12609
FREEZING PROCESS: loop number 31 T-loop= 361.00000000000000
main_MD> interactions number 31 at Temperature= 361.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63985 -0.95070 -0.78442
force_rgl> df(natom) -0.96678 -0.01794 0.28565
7505.0000 -226.85925 -222.23283 4.62642 1.88763 -222.25451 373.84981
7510.0000 -226.45182 -222.38709 4.06474 1.87244 -222.55498 362.97699
7515.0000 -226.43711 -222.05113 4.38599 1.89271 -222.15399 380.11932
7520.0000 -226.81617 -222.35245 4.46372 1.87902 -222.42488 371.59724
7525.0000 -226.13568 -222.03953 4.09615 1.88012 -222.40310 369.83540
7530.0000 -226.76848 -222.42356 4.34492 1.89718 -222.06551 379.56807
7535.0000 -226.72578 -222.45637 4.26941 1.85955 -222.81004 353.81006
7540.0000 -227.11450 -223.03263 4.08188 1.85032 -222.99263 346.26992
7545.0000 -227.10635 -223.46995 3.63640 1.84597 -223.07863 342.80472
7550.0000 -227.45717 -223.12967 4.32750 1.83573 -223.28133 330.72512
7555.0000 -226.83808 -223.07710 3.76097 1.85729 -222.85472 350.61426
7560.0000 -226.56903 -222.12413 4.44490 1.85217 -222.95594 348.54838
7565.0000 -226.93187 -222.28474 4.64713 1.88741 -222.25884 379.47225
7570.0000 -226.51057 -222.54661 3.96396 1.87667 -222.47133 364.68341
7575.0000 -227.09991 -223.07079 4.02911 1.87643 -222.47596 367.23360
7580.0000 -226.53883 -222.67375 3.86508 1.86484 -222.70534 356.18136
7585.0000 -226.36156 -222.20624 4.15532 1.87056 -222.59227 361.98751
7590.0000 -226.78661 -221.92294 4.86368 1.89649 -222.07927 381.64364
7595.0000 -226.62221 -222.46335 4.15886 1.89169 -222.17410 380.70375
7600.0000 -226.39235 -222.74355 3.64879 1.86359 -222.73010 359.39547
7605.0000 -226.60712 -222.57571 4.03141 1.87295 -222.54486 361.15562
7610.0000 -226.21149 -221.36783 4.84367 1.89662 -222.07654 384.83861
7615.0000 -226.88289 -222.87449 4.00840 1.88272 -222.35160 375.63739
7620.0000 -226.35588 -221.92244 4.43344 1.88791 -222.24897 374.51500
7625.0000 -226.36937 -221.46018 4.90919 1.93119 -221.39263 409.32536
7630.0000 -226.31633 -222.23044 4.08590 1.91174 -221.77751 397.06442
7635.0000 -226.76256 -222.97888 3.78368 1.86598 -222.68280 360.97147
7640.0000 -227.18348 -223.00807 4.17540 1.85610 -222.87822 349.23213
7645.0000 -226.61406 -222.15379 4.46027 1.86921 -222.61880 358.13865
7650.0000 -225.90125 -221.84013 4.06112 1.87185 -222.56671 364.16544
7655.0000 -226.70840 -222.18226 4.52614 1.89386 -222.13117 380.49797
7660.0000 -227.07328 -223.04867 4.02461 1.86250 -222.75168 355.41891
7665.0000 -226.66472 -222.27652 4.38820 1.85901 -222.82076 355.29645
7670.0000 -226.83685 -222.21739 4.61945 1.88229 -222.36006 372.66018
7675.0000 -226.20809 -222.96662 3.24147 1.85777 -222.84531 345.97152
7680.0000 -226.88516 -222.77103 4.11413 1.85978 -222.80544 351.13751
7685.0000 -226.43304 -221.87342 4.55963 1.89004 -222.20679 374.25087
7690.0000 -226.91599 -223.18223 3.73376 1.86045 -222.79211 352.91697
7695.0000 -226.69025 -223.11747 3.57278 1.85490 -222.90200 351.43473
7700.0000 -226.24138 -222.16859 4.07279 1.87202 -222.56327 360.88687
7705.0000 -226.83245 -222.20849 4.62396 1.89413 -222.12588 379.00558
7710.0000 -226.70788 -222.70576 4.00213 1.88340 -222.33819 375.96264
7715.0000 -226.77833 -222.49958 4.27875 1.87349 -222.53427 366.22451
7720.0000 -227.08294 -222.91820 4.16474 1.85934 -222.81422 354.63803
7725.0000 -226.83193 -223.04138 3.79055 1.83596 -223.27665 332.72933
7730.0000 -227.48253 -223.26896 4.21357 1.82514 -223.49078 326.61665
7735.0000 -227.33492 -223.36483 3.97008 1.83156 -223.36377 331.45297
7740.0000 -227.16536 -223.15427 4.01109 1.86353 -222.73132 356.59406
7745.0000 -226.26866 -221.55257 4.71609 1.88827 -222.24188 370.07576
7750.0000 -226.04617 -222.26023 3.78594 1.91548 -221.70351 389.43319
FREEZING PROCESS: loop number 32 T-loop= 336.00000000000000
main_MD> interactions number 32 at Temperature= 336.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96103 0.83448 -2.10500
force_rgl> df(natom) -0.55767 -0.60099 0.22515
7755.0000 -227.17236 -223.28057 3.89179 1.85183 -222.96268 347.28033
7760.0000 -227.02569 -223.31725 3.70844 1.84932 -223.01241 349.40724
7765.0000 -226.90512 -222.74030 4.16482 1.84330 -223.13160 341.72881
7770.0000 -226.86616 -222.84852 4.01764 1.84956 -223.00774 346.40743
7775.0000 -227.11842 -223.15322 3.96520 1.85208 -222.95787 348.81685
7780.0000 -227.66369 -223.24898 4.41471 1.82863 -223.42174 329.46860
7785.0000 -226.01934 -222.35942 3.65992 1.85124 -222.97438 350.77293
7790.0000 -226.62342 -222.18109 4.44233 1.88422 -222.32200 372.87909
7795.0000 -226.68079 -222.81493 3.86587 1.86502 -222.70170 359.54385
7800.0000 -227.01787 -222.91972 4.09815 1.85163 -222.96662 345.05802
7805.0000 -227.01482 -222.98545 4.02937 1.86228 -222.75594 353.45349
7810.0000 -227.56112 -223.41002 4.15109 1.83869 -223.22278 337.82021
7815.0000 -227.33108 -223.33898 3.99210 1.82342 -223.52474 326.81671
7820.0000 -227.24476 -223.11248 4.13228 1.83957 -223.20534 339.69687
7825.0000 -227.03138 -223.39979 3.63159 1.84499 -223.09810 344.29833
7830.0000 -227.34267 -223.66066 3.68200 1.83792 -223.23795 337.95683
7835.0000 -225.95889 -222.17953 3.77936 1.85112 -222.97686 344.91982
7840.0000 -226.17406 -222.51805 3.65601 1.86332 -222.73541 355.99154
7845.0000 -226.93508 -222.78027 4.15480 1.84650 -223.06821 343.34495
7850.0000 -227.01296 -223.30720 3.70576 1.85793 -222.84213 356.16108
7855.0000 -226.67759 -222.85941 3.81818 1.84664 -223.06544 343.32071
7860.0000 -227.16757 -222.73821 4.42936 1.84698 -223.05873 339.92308
7865.0000 -226.12148 -222.56701 3.55448 1.87178 -222.56814 360.75244
7870.0000 -227.01092 -222.91552 4.09541 1.85976 -222.80587 351.14749
7875.0000 -226.74732 -222.69561 4.05171 1.86275 -222.74665 358.40721
7880.0000 -227.28334 -223.46604 3.81730 1.84463 -223.10527 339.15682
7885.0000 -227.17189 -223.32790 3.84399 1.83010 -223.39268 330.14420
7890.0000 -227.42732 -223.58837 3.83895 1.84989 -223.00117 342.20442
7895.0000 -227.02898 -223.30715 3.72183 1.83398 -223.31598 332.08377
7900.0000 -227.09465 -223.47620 3.61845 1.83547 -223.28652 335.02625
7905.0000 -227.04288 -223.94610 3.09677 1.80600 -223.86955 307.62338
7910.0000 -227.32619 -223.52663 3.79956 1.79955 -223.99716 303.06503
7915.0000 -227.26671 -223.64681 3.61990 1.81621 -223.66753 319.69236
7920.0000 -227.12443 -223.14872 3.97570 1.84726 -223.05323 339.35143
7925.0000 -227.24967 -224.32919 2.92048 1.80400 -223.90903 308.02655
7930.0000 -227.39523 -223.60955 3.78568 1.80782 -223.83347 314.68808
7935.0000 -227.11994 -223.17343 3.94651 1.81357 -223.71968 317.63536
7940.0000 -227.51033 -223.21954 4.29079 1.83682 -223.25975 335.08691
7945.0000 -226.93285 -222.95195 3.98090 1.85658 -222.86879 353.08888
7950.0000 -227.08346 -222.60621 4.47725 1.84819 -223.03484 346.19624
7955.0000 -226.90971 -223.18430 3.72541 1.84378 -223.12203 346.75742
7960.0000 -226.46254 -222.57459 3.88795 1.85001 -222.99884 342.43001
7965.0000 -227.27690 -223.25011 4.02679 1.86743 -222.65411 356.07066
7970.0000 -227.13955 -223.24405 3.89550 1.85021 -222.99481 349.04805
7975.0000 -227.20150 -223.56353 3.63797 1.83110 -223.37294 327.54728
7980.0000 -227.60438 -223.33425 4.27012 1.83146 -223.36575 331.43935
7985.0000 -227.09864 -222.94004 4.15860 1.83744 -223.24740 337.40861
7990.0000 -227.35748 -223.54848 3.80900 1.82699 -223.45427 326.88547
7995.0000 -227.05904 -222.84914 4.20990 1.84597 -223.07860 348.45834
8000.0000 -227.19368 -223.43089 3.76278 1.83557 -223.28444 337.19979
FREEZING PROCESS: loop number 33 T-loop= 311.00000000000000
main_MD> interactions number 33 at Temperature= 311.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81052 -0.41350 1.14243
force_rgl> df(natom) 1.53890 -2.43540 0.48821
8005.0000 -226.70367 -221.99885 4.70482 1.83985 -223.19982 338.19939
8010.0000 -226.82897 -223.37004 3.45893 1.87194 -222.56482 364.36824
8015.0000 -227.05340 -222.90128 4.15212 1.83030 -223.38878 331.96967
8020.0000 -227.55005 -223.70680 3.84325 1.85361 -222.92763 350.04028
8025.0000 -227.36348 -223.68820 3.67528 1.81128 -223.76493 314.51465
8030.0000 -227.08211 -223.06453 4.01758 1.82304 -223.53237 323.43122
8035.0000 -227.82998 -224.48042 3.34956 1.81018 -223.78678 313.21076
8040.0000 -227.91243 -224.37939 3.53304 1.78686 -224.24813 295.29276
8045.0000 -226.58749 -223.67644 2.91104 1.78546 -224.27591 296.90127
8050.0000 -227.90015 -224.72791 3.17224 1.79577 -224.07189 309.21907
8055.0000 -227.41655 -224.50064 2.91591 1.78378 -224.30910 291.75185
8060.0000 -227.33605 -223.73084 3.60521 1.79741 -224.03933 301.23467
8065.0000 -227.31483 -223.80754 3.50729 1.81353 -223.72044 319.51495
8070.0000 -226.77172 -223.77796 2.99376 1.79735 -224.04064 302.17529
8075.0000 -227.72619 -224.00509 3.72110 1.80615 -223.86656 310.19772
8080.0000 -227.83733 -224.31520 3.52214 1.78576 -224.26998 294.69937
8085.0000 -226.63042 -223.32904 3.30138 1.79103 -224.16559 299.10253
8090.0000 -227.17859 -223.64261 3.53598 1.82435 -223.50634 324.86854
8095.0000 -227.47993 -224.16125 3.31867 1.79012 -224.18372 297.06125
8100.0000 -227.61626 -223.84994 3.76632 1.79581 -224.07101 303.60612
8105.0000 -227.09294 -223.59453 3.49840 1.80401 -223.90875 303.34230
8110.0000 -227.40742 -224.29916 3.10827 1.79588 -224.06968 298.56677
8115.0000 -227.64098 -223.96161 3.67938 1.80073 -223.97363 303.44149
8120.0000 -227.71455 -224.42803 3.28652 1.79142 -224.15799 299.65437
8125.0000 -227.04878 -223.74532 3.30346 1.78687 -224.24797 297.38217
8130.0000 -228.04568 -224.86591 3.17978 1.78864 -224.21295 296.31620
8135.0000 -227.23276 -223.90566 3.32710 1.77985 -224.38691 285.49921
8140.0000 -227.59398 -223.97796 3.61603 1.82056 -223.58138 320.17320
8145.0000 -227.37417 -223.43492 3.93925 1.81591 -223.67348 318.44013
8150.0000 -227.20008 -223.28111 3.91897 1.82142 -223.56432 325.51470
8155.0000 -226.94385 -223.13052 3.81332 1.85689 -222.86272 350.99404
8160.0000 -227.32140 -223.18654 4.13487 1.83735 -223.24929 333.43013
8165.0000 -226.42572 -222.41861 4.00711 1.85143 -222.97062 346.82791
8170.0000 -227.16119 -223.32028 3.84092 1.84698 -223.05873 341.87950
8175.0000 -227.16744 -223.62274 3.54469 1.83509 -223.29394 334.03649
8180.0000 -227.41882 -223.82869 3.59012 1.82207 -223.55154 325.44171
8185.0000 -227.88767 -224.14487 3.74280 1.79719 -224.04378 304.65954
8190.0000 -227.15684 -223.88176 3.27508 1.81084 -223.77380 313.73990
8195.0000 -227.43003 -223.61698 3.81306 1.79123 -224.16168 298.03233
8200.0000 -227.47813 -224.25603 3.22210 1.81680 -223.65581 316.94853
8205.0000 -227.30025 -224.09450 3.20574 1.79047 -224.17681 295.64558
8210.0000 -227.73716 -224.43710 3.30006 1.78334 -224.31770 291.72735
8215.0000 -227.53766 -223.96243 3.57523 1.79464 -224.09415 302.00869
8220.0000 -227.61858 -224.05780 3.56078 1.83463 -223.30305 335.33412
8225.0000 -227.48795 -223.40093 4.08702 1.80996 -223.79119 315.36359
8230.0000 -227.65696 -223.81274 3.84422 1.80751 -223.83964 315.04562
8235.0000 -227.35774 -223.67796 3.67978 1.80332 -223.92247 312.60676
8240.0000 -227.81996 -223.63382 4.18614 1.81431 -223.70496 316.31190
8245.0000 -227.82116 -224.11861 3.70256 1.81277 -223.73554 318.01949
8250.0000 -226.77428 -223.08628 3.68800 1.82346 -223.52395 325.51947
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 9.7924001 [s].
main_MD> Deallocating global variables
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