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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_95/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_95.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 = 95 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 95 9500
main_MD> Size of nv and nvoiz: 95 9500
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 = 95
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> 0.13950081917277640 7.3650223094530981E-002 -5.4772453943877732E-002 initial drift of cluster / NP1 for coalescence
init> 0.32196254417188419 0.33240491585625681 0.30442849171563413 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5479209302391916E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94227 1.83985 7.31592
force_rgl> df(natom) 1.72028 1.78706 -0.44523
preparo> THERMALIZATION PROCESS AT 1091.8544979342903
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -214.51355730207152 12.601560606348126 -227.11511790841965 6.6545080820421909E-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 31
FREEZING PROCESS: loop number 1 T-loop= 1067.0000000000000
main_MD> interactions number 1 at Temperature= 1067.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22421 1.23445 -0.65968
force_rgl> df(natom) -1.43819 -2.02297 -0.47786
5.0000 -230.05657 -217.60687 12.44970 3.08580 -216.00338 1050.64554
10.0000 -229.50861 -218.14208 11.36653 2.97764 -218.25531 965.18742
15.0000 -227.85551 -215.97304 11.88247 3.01980 -217.37760 991.74831
20.0000 -228.77662 -217.01924 11.75738 3.08437 -216.03324 1064.95068
25.0000 -227.27978 -214.51456 12.76522 3.13097 -215.06287 1100.54091
30.0000 -226.73652 -214.02828 12.70824 3.18632 -213.91049 1097.34319
35.0000 -225.64586 -213.40297 12.24289 3.18663 -213.90414 1107.58831
40.0000 -228.97256 -215.46356 13.50901 3.18293 -213.98110 1109.06581
45.0000 -229.36662 -215.80334 13.56328 3.06462 -216.44429 1031.24772
50.0000 -228.77830 -216.27096 12.50733 3.07913 -216.14226 1055.98683
55.0000 -229.55599 -216.44339 13.11261 3.04690 -216.81330 1034.48280
60.0000 -228.69217 -214.90144 13.79073 3.12117 -215.26703 1095.03194
65.0000 -226.13151 -212.96688 13.16464 3.15439 -214.57534 1091.78826
70.0000 -228.59116 -216.85755 11.73361 3.15580 -214.54594 1092.78690
75.0000 -228.85534 -216.96133 11.89401 3.01083 -217.56423 996.92933
80.0000 -227.90756 -216.09816 11.80940 3.04780 -216.79464 1004.03783
85.0000 -230.95177 -217.41232 13.53945 3.04891 -216.77155 1041.13858
90.0000 -228.99990 -215.43179 13.56811 3.03168 -217.13019 1019.60712
95.0000 -228.87963 -216.10582 12.77381 3.10525 -215.59855 1079.35172
100.0000 -229.22180 -215.39555 13.82625 3.12319 -215.22487 1060.56725
105.0000 -230.00768 -217.13322 12.87446 3.09432 -215.82605 1064.23438
110.0000 -229.34427 -214.80340 14.54087 3.10755 -215.55064 1079.52178
115.0000 -229.20056 -216.87710 12.32345 3.09435 -215.82535 1040.83724
120.0000 -230.40136 -216.16479 14.23658 3.09543 -215.80281 1056.62616
125.0000 -229.98807 -217.21779 12.77028 3.02175 -217.33702 1011.18734
130.0000 -228.69471 -216.01270 12.68200 3.03394 -217.08320 1035.53588
135.0000 -229.83202 -214.76165 15.07037 3.05688 -216.60549 1032.42516
140.0000 -229.58580 -216.14530 13.44050 3.15284 -214.60757 1136.75347
145.0000 -227.27766 -214.68493 12.59272 3.12225 -215.24452 1068.43124
150.0000 -229.28297 -216.32828 12.95469 3.07068 -216.31816 1013.77101
155.0000 -229.72395 -215.60202 14.12193 3.09788 -215.75183 1078.96069
160.0000 -226.79812 -212.18139 14.61673 3.19568 -213.71561 1113.74021
165.0000 -228.10942 -216.83630 11.27312 3.17208 -214.20701 1087.55760
170.0000 -229.12089 -217.11554 12.00535 3.06599 -216.41578 1063.26101
175.0000 -228.92659 -215.78628 13.14031 3.09760 -215.75763 1055.92990
180.0000 -228.47681 -216.93659 11.54022 3.05682 -216.60675 1027.66509
185.0000 -229.15962 -215.87842 13.28121 3.03316 -217.09938 1014.16933
190.0000 -226.02857 -212.98315 13.04542 3.19975 -213.63095 1111.38348
195.0000 -229.54946 -215.63257 13.91689 3.13975 -214.88025 1098.74455
200.0000 -227.25637 -214.34433 12.91204 3.13854 -214.90539 1086.62468
205.0000 -229.12109 -212.61735 16.50374 3.20272 -213.56907 1088.19676
210.0000 -228.05219 -214.36187 13.69032 3.22042 -213.20057 1155.56938
215.0000 -229.06150 -214.42594 14.63556 3.10659 -215.57048 1087.41482
220.0000 -229.58758 -215.61635 13.97124 3.10407 -215.62306 1055.77359
225.0000 -228.12430 -215.49646 12.62784 3.09906 -215.72742 1051.45781
230.0000 -229.25331 -215.92647 13.32684 3.12808 -215.12305 1047.81382
235.0000 -229.44532 -215.98021 13.46511 3.08673 -215.98394 1050.26237
240.0000 -226.68159 -211.85729 14.82430 3.15641 -214.53338 1113.31619
245.0000 -227.67624 -213.63501 14.04123 3.25510 -212.47848 1167.15856
250.0000 -229.06556 -215.04971 14.01585 3.15239 -214.61704 1098.86001
FREEZING PROCESS: loop number 2 T-loop= 1042.0000000000000
main_MD> interactions number 2 at Temperature= 1042.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32967 8.12506 7.87245
force_rgl> df(natom) 0.40233 -0.07064 -0.00888
255.0000 -228.96816 -216.34431 12.62385 3.10361 -215.63265 1085.89132
260.0000 -229.03514 -217.69647 11.33867 3.02257 -217.31984 1008.59852
265.0000 -230.26575 -217.21714 13.04861 3.03909 -216.97599 1011.09780
270.0000 -230.42021 -216.90459 13.51562 3.01930 -217.38798 1006.25601
275.0000 -227.46474 -215.33450 12.13024 3.05015 -216.74564 1019.72748
280.0000 -228.65128 -216.96630 11.68499 3.09268 -215.86022 1063.88762
285.0000 -228.57846 -216.40741 12.17105 3.06831 -216.36762 1047.62888
290.0000 -230.71386 -215.81810 14.89577 3.04247 -216.90543 1002.22530
295.0000 -226.73271 -214.04252 12.69019 3.11817 -215.32942 1045.39757
300.0000 -229.16457 -215.39165 13.77291 3.16268 -214.40274 1101.60628
305.0000 -229.27591 -217.43036 11.84556 3.06696 -216.39566 1049.20851
310.0000 -228.93327 -215.42391 13.50936 3.08864 -215.94420 1036.36527
315.0000 -229.25508 -217.84227 11.41281 3.05776 -216.58719 1026.02008
320.0000 -228.03697 -213.57669 14.46028 3.08338 -216.05386 1049.99933
325.0000 -227.38207 -214.26275 13.11932 3.17013 -214.24759 1104.53179
330.0000 -229.28761 -215.48003 13.80759 3.13631 -214.95178 1077.77766
335.0000 -227.55648 -213.68762 13.86886 3.10939 -215.51221 1067.22602
340.0000 -226.19122 -211.94382 14.24741 3.18344 -213.97046 1090.49560
345.0000 -228.01243 -214.00635 14.00608 3.25168 -212.54977 1151.13584
350.0000 -226.99003 -213.98282 13.00722 3.24825 -212.62112 1166.82288
355.0000 -226.86256 -214.09167 12.77088 3.21101 -213.39645 1135.45697
360.0000 -229.17431 -214.78458 14.38972 3.16095 -214.43868 1105.68216
365.0000 -229.53876 -216.42059 13.11816 3.15037 -214.65908 1117.26589
370.0000 -231.12671 -218.02467 13.10205 3.02541 -217.26074 1014.28196
375.0000 -230.27404 -217.01632 13.25771 3.01525 -217.47227 1021.80330
380.0000 -231.05334 -218.70137 12.35197 2.96847 -218.44618 992.83357
385.0000 -231.61477 -218.35793 13.25684 2.96931 -218.42878 980.53341
390.0000 -230.56478 -218.50111 12.06368 2.95150 -218.79957 985.20959
395.0000 -229.14198 -217.30112 11.84086 3.00059 -217.77752 999.91586
400.0000 -227.63296 -215.20109 12.43188 3.04264 -216.90208 1033.46903
405.0000 -227.40950 -214.66650 12.74300 3.14784 -214.71174 1096.75048
410.0000 -228.71064 -214.12680 14.58383 3.16790 -214.29410 1074.02204
415.0000 -225.49977 -213.60341 11.89636 3.22346 -213.13740 1108.82649
420.0000 -227.71468 -214.34750 13.36719 3.18743 -213.88753 1092.32192
425.0000 -227.39309 -215.39245 12.00064 3.16585 -214.33670 1078.71561
430.0000 -228.02902 -215.06318 12.96584 3.15647 -214.53210 1098.46186
435.0000 -227.84195 -213.63897 14.20298 3.15999 -214.45872 1081.57576
440.0000 -229.48587 -216.78086 12.70501 3.17957 -214.05099 1127.82539
445.0000 -227.54718 -215.28353 12.26365 3.08780 -215.96175 1067.15015
450.0000 -229.78172 -215.40979 14.37193 3.12525 -215.18207 1071.40349
455.0000 -227.16683 -214.74221 12.42462 3.13208 -215.03985 1073.11494
460.0000 -226.80891 -213.48495 13.32395 3.14912 -214.68506 1096.03566
465.0000 -228.38518 -215.19186 13.19332 3.13345 -215.01127 1101.88146
470.0000 -230.19228 -216.13425 14.05803 3.09641 -215.78242 1066.00820
475.0000 -227.57457 -214.50289 13.07168 3.11591 -215.37658 1094.65794
480.0000 -227.56297 -213.90057 13.66241 3.17184 -214.21204 1126.34424
485.0000 -228.00023 -213.41140 14.58883 3.17381 -214.17101 1132.13870
490.0000 -229.38605 -217.47344 11.91261 3.10644 -215.57360 1082.09856
495.0000 -230.18982 -217.15571 13.03412 3.01110 -217.55855 1024.30290
500.0000 -229.07217 -216.61502 12.45715 2.99857 -217.81945 994.71569
FREEZING PROCESS: loop number 3 T-loop= 1017.0000000000000
main_MD> interactions number 3 at Temperature= 1017.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.18617 0.28557 2.32907
force_rgl> df(natom) 1.20151 -0.97854 -4.09904
505.0000 -231.10864 -217.77055 13.33809 3.04706 -216.80997 1020.51854
510.0000 -229.46417 -218.87108 10.59309 3.04432 -216.86709 1053.82525
515.0000 -230.32474 -219.11145 11.21329 2.92260 -219.40132 945.95997
520.0000 -229.36984 -216.84754 12.52230 2.94605 -218.91309 972.21180
525.0000 -228.63260 -217.49560 11.13699 3.04463 -216.86049 1020.01674
530.0000 -230.83113 -218.13833 12.69280 2.98729 -218.05432 992.49494
535.0000 -231.03837 -219.72446 11.31391 2.91704 -219.51702 947.75462
540.0000 -229.23659 -217.13516 12.10144 2.99007 -217.99656 1007.17612
545.0000 -230.05233 -217.38009 12.67224 2.98283 -218.14727 995.21330
550.0000 -228.70556 -215.61732 13.08824 3.03573 -217.04581 1035.26786
555.0000 -228.67844 -214.99870 13.67974 3.11461 -215.40348 1063.39432
560.0000 -227.83696 -214.70537 13.13159 3.10905 -215.51936 1038.50390
565.0000 -230.94124 -218.33642 12.60482 3.02798 -217.20722 1034.97555
570.0000 -228.44610 -217.37584 11.07026 2.97866 -218.23401 983.33942
575.0000 -229.00266 -213.77435 15.22831 3.12501 -215.18713 1081.68089
580.0000 -229.18009 -214.62811 14.55199 3.19968 -213.63239 1121.21747
585.0000 -229.19505 -217.21203 11.98302 3.09096 -215.89587 1040.73399
590.0000 -226.98707 -216.22144 10.76563 3.04812 -216.78800 1004.51995
595.0000 -229.48852 -217.45258 12.03594 3.06240 -216.49055 1004.37531
600.0000 -230.51992 -217.78567 12.73424 3.03860 -216.98618 980.10684
605.0000 -231.29393 -218.25230 13.04163 3.05137 -216.72020 1027.59056
610.0000 -228.52140 -215.79263 12.72877 3.02819 -217.20289 1028.75002
615.0000 -230.32788 -217.51101 12.81687 3.06764 -216.38142 1039.00665
620.0000 -232.17715 -218.59233 13.58482 2.99066 -217.98416 1006.99630
625.0000 -230.51831 -217.81181 12.70650 3.00030 -217.78345 1020.25365
630.0000 -229.64954 -217.29474 12.35480 2.97532 -218.30359 991.98736
635.0000 -227.28838 -214.39030 12.89807 3.11248 -215.44783 1094.23445
640.0000 -229.30336 -216.89823 12.40512 3.08950 -215.92630 1070.16306
645.0000 -228.73037 -216.56035 12.17002 3.06094 -216.52101 1020.14727
650.0000 -228.60500 -215.94270 12.66230 3.05042 -216.73997 1012.48447
655.0000 -226.84417 -212.66085 14.18333 3.15360 -214.59184 1099.94937
660.0000 -228.46501 -214.36844 14.09657 3.13990 -214.87702 1082.60986
665.0000 -229.42482 -216.35627 13.06856 3.09526 -215.80650 1066.97030
670.0000 -230.23142 -217.33518 12.89625 2.97853 -218.23686 1004.64731
675.0000 -228.71061 -214.75752 13.95309 3.07632 -216.20070 1071.32754
680.0000 -230.23708 -218.74103 11.49604 3.11054 -215.48838 1060.20232
685.0000 -229.94263 -216.60153 13.34110 2.94532 -218.92827 963.05594
690.0000 -231.72593 -218.86844 12.85749 3.01817 -217.41142 1013.51413
695.0000 -230.31546 -216.62986 13.68561 3.01787 -217.41761 1021.36485
700.0000 -230.33623 -216.56070 13.77553 3.06501 -216.43624 1037.70669
705.0000 -231.26647 -217.32496 13.94151 3.01036 -217.57410 1000.95099
710.0000 -231.30106 -219.03637 12.26469 3.02076 -217.35760 1035.08164
715.0000 -229.50362 -215.74782 13.75580 3.03210 -217.12146 1052.05980
720.0000 -230.60621 -217.21220 13.39401 3.07387 -216.25168 1057.24939
725.0000 -231.72672 -220.05848 11.66824 3.01812 -217.41248 991.56306
730.0000 -231.24921 -218.50227 12.74695 2.98975 -218.00307 991.39301
735.0000 -230.19778 -219.40161 10.79617 2.95267 -218.77519 966.67170
740.0000 -228.33995 -215.75389 12.58605 3.03586 -217.04315 1020.93865
745.0000 -229.88913 -216.15418 13.73495 3.07866 -216.15199 1047.00490
750.0000 -227.70782 -214.71448 12.99335 3.18552 -213.92712 1109.30217
FREEZING PROCESS: loop number 4 T-loop= 992.00000000000000
main_MD> interactions number 4 at Temperature= 992.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30499 1.96309 1.90232
force_rgl> df(natom) 0.98004 -2.39887 -0.59275
755.0000 -231.13264 -218.33180 12.80084 2.97657 -218.27747 976.14380
760.0000 -229.71729 -217.32147 12.39583 2.95126 -218.80454 954.06027
765.0000 -231.32612 -220.18960 11.13652 2.98099 -218.18555 984.64717
770.0000 -230.96488 -219.22935 11.73554 2.90217 -219.82666 951.28127
775.0000 -229.35119 -215.70167 13.64953 3.00579 -217.66926 1004.18494
780.0000 -231.48215 -217.43594 14.04621 3.05430 -216.65916 1045.70444
785.0000 -232.78431 -219.29199 13.49232 3.00061 -217.77703 1015.83660
790.0000 -233.10281 -222.27836 10.82444 2.89045 -220.07067 952.57848
795.0000 -231.50040 -219.32988 12.17052 2.81602 -221.62017 912.85909
800.0000 -231.20469 -218.52758 12.67712 2.98251 -218.15387 1004.25976
805.0000 -231.08315 -217.82826 13.25490 2.91034 -219.65656 970.36452
810.0000 -230.46453 -217.70996 12.75457 3.00215 -217.74490 989.71153
815.0000 -230.63994 -218.42603 12.21391 2.94668 -218.89989 983.72271
820.0000 -229.41326 -216.68391 12.72935 3.02182 -217.33551 993.01361
825.0000 -228.44057 -215.73367 12.70689 3.07449 -216.23893 1052.27248
830.0000 -228.67147 -216.41895 12.25253 3.09839 -215.74122 1064.07193
835.0000 -229.06333 -216.72727 12.33606 3.08118 -216.09966 1054.71111
840.0000 -229.05073 -216.59160 12.45913 3.04637 -216.82443 1027.06833
845.0000 -231.06218 -217.13172 13.93046 3.05661 -216.61122 1015.44065
850.0000 -230.55236 -218.07708 12.47528 3.01541 -217.46900 1008.73345
855.0000 -231.25088 -219.62024 11.63064 2.96023 -218.61767 961.49541
860.0000 -231.49714 -219.82483 11.67231 2.89222 -220.03371 940.72854
865.0000 -229.50831 -216.31319 13.19512 2.99554 -217.88262 986.73073
870.0000 -231.38659 -218.84116 12.54543 3.02207 -217.33034 1023.27524
875.0000 -230.77538 -220.09630 10.67909 2.90510 -219.76567 940.16162
880.0000 -230.93598 -219.12490 11.81108 2.91318 -219.59741 953.48003
885.0000 -229.37580 -218.43923 10.93657 2.95850 -218.65388 980.60050
890.0000 -227.77732 -215.31710 12.46022 3.05859 -216.56981 1035.82553
895.0000 -229.80704 -219.02547 10.78156 3.04047 -216.94718 1035.14897
900.0000 -230.24966 -218.03852 12.21113 2.93617 -219.11873 983.14513
905.0000 -229.23059 -215.83597 13.39462 3.04067 -216.94290 1040.52775
910.0000 -229.40601 -215.64715 13.75886 3.12623 -215.16157 1060.71124
915.0000 -227.89981 -215.45037 12.44945 3.10176 -215.67102 1084.18054
920.0000 -229.05951 -216.80103 12.25848 3.09171 -215.88035 1050.32985
925.0000 -230.20967 -218.33161 11.87806 3.06955 -216.34182 1032.95447
930.0000 -231.80380 -219.01366 12.79014 2.96957 -218.42329 980.52229
935.0000 -230.65474 -219.14027 11.51447 2.95292 -218.77003 968.05013
940.0000 -231.12568 -218.92805 12.19762 2.97177 -218.37761 1009.47200
945.0000 -229.91204 -218.74940 11.16265 2.98460 -218.11033 1016.66761
950.0000 -232.02342 -220.05451 11.96891 2.90171 -219.83613 930.73844
955.0000 -230.37707 -219.11136 11.26570 2.92748 -219.29958 964.66827
960.0000 -230.14046 -219.38990 10.75056 2.91639 -219.53047 939.98148
965.0000 -232.51673 -220.22135 12.29538 2.89761 -219.92152 917.11248
970.0000 -229.11108 -218.16931 10.94178 2.96316 -218.55685 980.90751
975.0000 -229.52647 -218.40544 11.12103 2.97533 -218.30332 1000.48353
980.0000 -229.12090 -219.68804 9.43287 2.89017 -220.07636 920.11194
985.0000 -228.82601 -218.92243 9.90358 2.94708 -218.89161 977.46160
990.0000 -230.11003 -217.70097 12.40906 2.94921 -218.84729 960.24674
995.0000 -233.35060 -221.49783 11.85278 2.90371 -219.79455 972.01461
1000.0000 -231.14082 -217.77176 13.36906 2.93124 -219.22135 982.51368
FREEZING PROCESS: loop number 5 T-loop= 967.00000000000000
main_MD> interactions number 5 at Temperature= 967.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.40486 6.59851 -2.53586
force_rgl> df(natom) -0.60199 1.24458 -1.62548
1005.0000 -231.32690 -218.34327 12.98363 3.03298 -217.10305 1026.22166
1010.0000 -233.30078 -222.66332 10.63746 2.89051 -220.06935 943.00320
1015.0000 -232.77897 -219.92020 12.85877 2.83649 -221.19413 918.16377
1020.0000 -234.08681 -224.03418 10.05263 2.77969 -222.37657 862.73583
1025.0000 -232.58010 -222.02520 10.55490 2.77762 -222.41974 892.32863
1030.0000 -230.80600 -218.62938 12.17662 2.92038 -219.44745 966.03355
1035.0000 -230.63424 -218.25521 12.37903 2.95277 -218.77305 952.98512
1040.0000 -231.04139 -218.01217 13.02922 2.95021 -218.82643 968.68105
1045.0000 -227.97891 -215.57827 12.40064 3.08551 -216.00947 1068.98383
1050.0000 -231.13312 -218.85464 12.27848 3.05412 -216.66308 1047.31438
1055.0000 -231.51053 -218.47921 13.03132 3.00014 -217.78692 1001.38623
1060.0000 -230.78913 -220.61509 10.17404 2.95528 -218.72075 968.87212
1065.0000 -231.72041 -218.51410 13.20631 2.87276 -220.43884 916.36173
1070.0000 -229.77774 -217.76143 12.01632 3.00778 -217.62784 1001.55225
1075.0000 -231.00117 -219.12080 11.88036 3.01067 -217.56769 998.67153
1080.0000 -231.81922 -221.62183 10.19740 2.88971 -220.08605 945.60428
1085.0000 -232.44540 -221.19245 11.25295 2.81513 -221.63883 889.28919
1090.0000 -230.72080 -219.66756 11.05324 2.88857 -220.10979 950.02195
1095.0000 -229.81494 -217.35221 12.46273 2.97229 -218.36664 992.50430
1100.0000 -229.82548 -218.92686 10.89862 2.99449 -217.90445 1007.81838
1105.0000 -229.75929 -217.98198 11.77730 2.91644 -219.52948 961.10530
1110.0000 -229.32746 -215.28055 14.04691 3.04004 -216.95621 1036.05193
1115.0000 -229.60100 -218.18594 11.41506 3.09811 -215.74708 1056.82627
1120.0000 -230.56616 -218.37559 12.19057 2.95761 -218.67227 965.17604
1125.0000 -231.07521 -218.23634 12.83887 2.97340 -218.34357 983.54196
1130.0000 -229.79220 -218.77717 11.01503 2.99452 -217.90388 997.72447
1135.0000 -230.87754 -218.19734 12.68020 2.98805 -218.03851 969.56903
1140.0000 -228.42487 -218.79836 9.62651 3.01349 -217.50884 1010.75026
1145.0000 -231.03867 -220.15085 10.88782 2.90813 -219.70246 911.78964
1150.0000 -231.94944 -221.38861 10.56083 2.85761 -220.75440 906.20473
1155.0000 -231.29326 -219.61844 11.67482 2.85314 -220.84746 915.82599
1160.0000 -231.92082 -219.91806 12.00276 2.88503 -220.18348 932.49431
1165.0000 -229.60299 -219.32969 10.27330 2.91336 -219.59369 948.06864
1170.0000 -231.05168 -218.85888 12.19280 2.95598 -218.70626 960.04331
1175.0000 -232.63767 -220.27963 12.35805 2.91532 -219.55278 950.07377
1180.0000 -232.08329 -219.81774 12.26555 2.92511 -219.34889 960.17808
1185.0000 -230.23640 -219.38410 10.85230 2.88422 -220.20034 938.67653
1190.0000 -230.20230 -217.29478 12.90752 2.98682 -218.06412 1016.39738
1195.0000 -229.55667 -217.78945 11.76721 2.98432 -218.11631 984.04756
1200.0000 -231.30261 -219.96261 11.34000 2.96859 -218.44365 969.68890
1205.0000 -231.87398 -220.80645 11.06753 2.89534 -219.96884 933.93768
1210.0000 -233.38264 -221.64865 11.73399 2.85157 -220.88018 901.51613
1215.0000 -230.16140 -219.56491 10.59648 2.81980 -221.54153 920.68821
1220.0000 -232.38456 -220.36089 12.02368 2.88548 -220.17404 939.75367
1225.0000 -228.69329 -218.20557 10.48772 2.95802 -218.66370 997.83341
1230.0000 -228.77128 -217.61881 11.15246 2.98051 -218.19555 969.68174
1235.0000 -230.16411 -217.52278 12.64133 2.99142 -217.96844 1028.27913
1240.0000 -232.48693 -219.91764 12.56929 2.95862 -218.65130 978.17113
1245.0000 -231.53627 -219.59317 11.94309 2.91409 -219.57843 976.13943
1250.0000 -229.66777 -217.95408 11.71368 2.96791 -218.45779 990.86950
FREEZING PROCESS: loop number 6 T-loop= 942.00000000000000
main_MD> interactions number 6 at Temperature= 942.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.94754 0.79983 -5.20523
force_rgl> df(natom) 0.49560 2.19770 0.83988
1255.0000 -227.65458 -217.73821 9.91637 3.00901 -217.60218 969.30183
1260.0000 -231.93322 -221.33674 10.59648 2.89209 -220.03652 912.08305
1265.0000 -231.63512 -221.46656 10.16856 2.87320 -220.42980 921.55025
1270.0000 -233.31580 -222.30132 11.01448 2.80592 -221.83060 887.03683
1275.0000 -231.32180 -219.95752 11.36429 2.88271 -220.23183 942.35235
1280.0000 -231.80333 -218.89617 12.90716 2.94773 -218.87802 976.11449
1285.0000 -231.31461 -220.08904 11.22558 2.94987 -218.83340 951.13805
1290.0000 -231.81228 -220.63415 11.17812 2.89880 -219.89676 935.17022
1295.0000 -232.11715 -221.93929 10.17786 2.86051 -220.69391 916.33724
1300.0000 -231.36490 -220.17042 11.19448 2.81082 -221.72842 905.70465
1305.0000 -230.96145 -220.39250 10.56895 2.89280 -220.02162 948.17663
1310.0000 -230.43369 -219.53177 10.90193 2.89797 -219.91401 942.43439
1315.0000 -232.18744 -220.67339 11.51405 2.86017 -220.70096 932.10059
1320.0000 -232.26080 -220.53235 11.72845 2.88224 -220.24145 945.09070
1325.0000 -230.56973 -220.02485 10.54488 2.89725 -219.92908 938.76695
1330.0000 -230.76932 -219.71584 11.05348 2.91642 -219.52992 935.12847
1335.0000 -229.90273 -219.65178 10.25095 2.90146 -219.84137 931.06010
1340.0000 -234.81166 -222.12955 12.68212 2.85350 -220.83990 912.35338
1345.0000 -230.74293 -220.23702 10.50591 2.88828 -220.11573 918.31014
1350.0000 -232.68790 -220.76058 11.92732 2.85269 -220.85684 928.31085
1355.0000 -232.33497 -219.57928 12.75570 2.88436 -220.19736 939.96953
1360.0000 -231.84979 -219.91756 11.93223 2.90236 -219.82255 954.43877
1365.0000 -229.49091 -218.06233 11.42858 2.92266 -219.40003 952.40539
1370.0000 -230.89222 -218.57175 12.32047 2.97312 -218.34941 964.99157
1375.0000 -231.81015 -219.32732 12.48284 2.94113 -219.01544 953.82402
1380.0000 -232.05841 -220.20471 11.85370 2.95053 -218.81977 963.17735
1385.0000 -232.07017 -221.05479 11.01538 2.85799 -220.74638 903.62724
1390.0000 -230.77501 -218.09057 12.68443 2.89328 -220.01168 935.09776
1395.0000 -228.75696 -216.46711 12.28985 3.04224 -216.91028 1022.45327
1400.0000 -231.04317 -218.18124 12.86194 3.04289 -216.89668 1027.56433
1405.0000 -230.85889 -218.95976 11.89913 2.97082 -218.39720 982.26570
1410.0000 -230.65588 -217.79056 12.86532 2.94882 -218.85539 974.88987
1415.0000 -229.38400 -216.63031 12.75369 2.95151 -218.79925 973.51466
1420.0000 -231.38374 -220.13673 11.24701 2.95188 -218.79159 988.79414
1425.0000 -232.31863 -222.09782 10.22081 2.83926 -221.13630 919.31623
1430.0000 -231.79653 -220.29228 11.50425 2.80784 -221.79053 906.17689
1435.0000 -233.60092 -221.29299 12.30793 2.89572 -219.96093 943.83321
1440.0000 -231.01952 -219.92403 11.09550 2.87992 -220.28986 927.62510
1445.0000 -230.89913 -219.73721 11.16192 2.89039 -220.07194 929.51668
1450.0000 -233.68882 -223.77283 9.91600 2.78684 -222.22777 883.66039
1455.0000 -233.54363 -222.39376 11.14987 2.81169 -221.71038 906.17522
1460.0000 -233.09773 -221.61398 11.48376 2.78459 -222.27454 878.35180
1465.0000 -233.74035 -222.84338 10.89697 2.77728 -222.42671 883.06502
1470.0000 -232.15818 -221.45798 10.70019 2.74520 -223.09472 864.98215
1475.0000 -233.00930 -222.46727 10.54204 2.79975 -221.95893 887.61695
1480.0000 -232.99249 -222.19435 10.79814 2.81610 -221.61867 910.01111
1485.0000 -233.34785 -220.57783 12.77002 2.83073 -221.31406 910.75133
1490.0000 -230.65584 -220.47406 10.18178 2.85164 -220.87867 888.94418
1495.0000 -230.45730 -216.44252 14.01477 2.99243 -217.94747 993.61914
1500.0000 -229.50262 -219.99119 9.51143 2.97478 -218.31475 1001.44720
FREEZING PROCESS: loop number 7 T-loop= 917.00000000000000
main_MD> interactions number 7 at Temperature= 917.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57074 -4.03036 -0.55415
force_rgl> df(natom) 2.37087 -0.17583 -0.07125
1505.0000 -231.42777 -221.77521 9.65257 2.84553 -221.00575 885.32786
1510.0000 -233.30723 -222.25143 11.05580 2.81264 -221.69059 899.36026
1515.0000 -232.86256 -222.67900 10.18356 2.72280 -223.56113 848.43472
1520.0000 -233.69245 -221.87218 11.82027 2.79429 -222.07272 880.53936
1525.0000 -233.37837 -219.99384 13.38453 2.85112 -220.88941 945.59971
1530.0000 -231.15601 -220.47850 10.67750 2.87412 -220.41062 929.40220
1535.0000 -232.73250 -220.95601 11.77649 2.84146 -221.09057 904.21994
1540.0000 -233.01708 -222.79658 10.22051 2.84574 -221.00142 909.91812
1545.0000 -232.89729 -222.49465 10.40265 2.75034 -222.98770 848.74677
1550.0000 -232.70275 -222.35155 10.35120 2.74036 -223.19542 835.48452
1555.0000 -232.23820 -220.75852 11.47968 2.84411 -221.03543 904.56691
1560.0000 -231.81041 -220.71142 11.09899 2.80764 -221.79469 882.94937
1565.0000 -230.99639 -220.28671 10.70968 2.85738 -220.75921 897.24393
1570.0000 -231.88749 -220.96175 10.92575 2.84576 -221.00111 910.86541
1575.0000 -232.97661 -220.91450 12.06210 2.84336 -221.05103 917.38147
1580.0000 -232.67853 -219.97138 12.70715 2.88309 -220.22381 943.00548
1585.0000 -229.44647 -217.56251 11.88397 2.91763 -219.50467 940.93055
1590.0000 -232.18188 -221.69297 10.48891 2.83722 -221.17888 886.00962
1595.0000 -232.30940 -222.40166 9.90774 2.81044 -221.73644 909.85150
1600.0000 -233.14438 -223.65136 9.49302 2.74655 -223.06656 830.49453
1605.0000 -232.32168 -220.36042 11.96126 2.81681 -221.60371 873.96851
1610.0000 -232.64630 -222.07386 10.57244 2.82131 -221.51000 890.64082
1615.0000 -231.76706 -219.71191 12.05515 2.87639 -220.36337 924.23839
1620.0000 -231.89893 -219.85614 12.04279 2.90922 -219.67988 946.94436
1625.0000 -231.49002 -220.70772 10.78230 2.86359 -220.62982 905.40113
1630.0000 -232.02077 -220.39305 11.62772 2.86499 -220.60076 918.92453
1635.0000 -235.53982 -224.43704 11.10277 2.78335 -222.30040 844.21808
1640.0000 -234.39612 -221.16984 13.22628 2.80571 -221.83498 917.55453
1645.0000 -231.88443 -219.73690 12.14753 2.84092 -221.10189 925.91292
1650.0000 -232.75936 -219.96448 12.79488 2.89901 -219.89245 953.05278
1655.0000 -231.55365 -220.05879 11.49486 2.93427 -219.15829 958.91070
1660.0000 -233.30570 -222.36077 10.94493 2.80669 -221.81447 876.57047
1665.0000 -231.91371 -221.93923 9.97448 2.80002 -221.95342 892.71036
1670.0000 -233.42669 -224.02221 9.40447 2.74131 -223.17575 864.75372
1675.0000 -231.89815 -221.30906 10.58910 2.76359 -222.71174 877.74044
1680.0000 -234.02954 -221.88303 12.14651 2.81113 -221.72197 885.31934
1685.0000 -231.87802 -221.05567 10.82234 2.81821 -221.57468 896.48303
1690.0000 -232.83420 -221.59134 11.24286 2.82244 -221.48649 882.16426
1695.0000 -230.96593 -218.77639 12.18954 2.89519 -219.97198 931.38117
1700.0000 -231.27566 -220.68853 10.58712 2.91244 -219.61272 945.49301
1705.0000 -231.39816 -221.37889 10.01927 2.84014 -221.11795 891.13381
1710.0000 -232.61417 -220.65345 11.96072 2.81079 -221.72914 891.29413
1715.0000 -234.10554 -223.44134 10.66420 2.81906 -221.55702 896.47963
1720.0000 -232.73093 -222.63188 10.09905 2.75946 -222.79790 838.45150
1725.0000 -232.31762 -221.84772 10.46991 2.84876 -220.93856 895.71309
1730.0000 -232.83790 -222.54090 10.29700 2.82245 -221.48628 897.22582
1735.0000 -232.54932 -220.47609 12.07323 2.79255 -222.10898 880.84322
1740.0000 -231.39496 -217.88322 13.51174 2.91804 -219.49621 963.15634
1745.0000 -230.35040 -218.48358 11.86682 3.00391 -217.70839 1009.82857
1750.0000 -230.48878 -219.78185 10.70694 2.95807 -218.66281 958.43185
FREEZING PROCESS: loop number 8 T-loop= 892.00000000000000
main_MD> interactions number 8 at Temperature= 892.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08827 -0.44770 -0.80372
force_rgl> df(natom) 1.74227 -0.88951 0.70751
1755.0000 -233.01023 -221.34967 11.66056 2.87864 -220.31648 953.37148
1760.0000 -232.57194 -222.66161 9.91032 2.75610 -222.86786 877.39608
1765.0000 -232.73990 -222.40863 10.33127 2.82806 -221.36946 919.97600
1770.0000 -233.27574 -220.81934 12.45640 2.80331 -221.88480 910.72861
1775.0000 -231.28526 -220.75682 10.52844 2.86145 -220.67446 917.94414
1780.0000 -233.96323 -223.64505 10.31818 2.71977 -223.62414 824.75650
1785.0000 -232.30517 -222.63027 9.67489 2.74247 -223.15152 847.95970
1790.0000 -230.52564 -219.18523 11.34041 2.83280 -221.27092 882.78625
1795.0000 -231.83156 -220.97908 10.85248 2.89814 -219.91043 948.56789
1800.0000 -231.81317 -221.15761 10.65556 2.87670 -220.35686 925.50008
1805.0000 -230.83435 -218.91512 11.91923 2.93386 -219.16686 967.35387
1810.0000 -232.30694 -221.37522 10.93172 2.88501 -220.18382 941.76426
1815.0000 -232.67741 -221.83653 10.84087 2.85899 -220.72560 928.42420
1820.0000 -233.10726 -222.44362 10.66364 2.73328 -223.34284 837.94771
1825.0000 -230.31047 -220.30767 10.00280 2.80324 -221.88624 881.60341
1830.0000 -231.85050 -219.49935 12.35115 2.91960 -219.46368 946.44196
1835.0000 -229.13361 -217.99430 11.13930 2.99292 -217.93720 1008.47806
1840.0000 -233.47043 -223.02198 10.44845 2.85730 -220.76081 930.57000
1845.0000 -234.80267 -223.61799 11.18468 2.71653 -223.69170 832.38799
1850.0000 -235.18634 -224.56393 10.62241 2.69966 -224.04291 826.82732
1855.0000 -233.10337 -223.04337 10.06000 2.72958 -223.41991 849.95735
1860.0000 -232.29849 -221.41900 10.87949 2.75921 -222.80300 835.70070
1865.0000 -232.38726 -219.59192 12.79533 2.90723 -219.72126 953.85837
1870.0000 -232.98102 -221.58506 11.39595 2.88139 -220.25916 936.96254
1875.0000 -233.07936 -223.51231 9.56705 2.75947 -222.79757 841.11306
1880.0000 -233.46650 -223.10393 10.36257 2.75333 -222.92535 832.01787
1885.0000 -234.65466 -224.25722 10.39744 2.75388 -222.91407 829.13001
1890.0000 -233.13538 -222.75091 10.38447 2.69935 -224.04923 836.48513
1895.0000 -231.61060 -220.54863 11.06197 2.82528 -221.42743 876.45888
1900.0000 -232.74996 -222.06549 10.68446 2.82102 -221.51617 892.36029
1905.0000 -233.43690 -221.86059 11.57631 2.77318 -222.51225 898.96641
1910.0000 -233.67383 -224.39667 9.27716 2.75667 -222.85582 871.10060
1915.0000 -232.50420 -221.56887 10.93532 2.72199 -223.57798 818.83050
1920.0000 -233.18504 -221.29758 11.88745 2.85860 -220.73371 911.74472
1925.0000 -230.58398 -219.26416 11.31982 2.87727 -220.34501 926.94192
1930.0000 -230.93026 -220.40079 10.52947 2.87509 -220.39044 923.01978
1935.0000 -233.56994 -222.27324 11.29670 2.79894 -221.97591 829.08934
1940.0000 -233.13484 -221.84454 11.29030 2.83089 -221.31063 891.66837
1945.0000 -234.30373 -221.90049 12.40324 2.80396 -221.87124 890.43183
1950.0000 -233.19902 -223.20097 9.99805 2.76527 -222.67693 864.45815
1955.0000 -231.28626 -218.48955 12.79671 2.87815 -220.32666 918.17486
1960.0000 -230.25043 -218.63130 11.61913 2.95789 -218.66647 966.18337
1965.0000 -230.58186 -219.73221 10.84964 2.93984 -219.04228 964.55444
1970.0000 -231.23447 -219.02330 12.21116 2.93757 -219.08952 954.51141
1975.0000 -231.60066 -220.04539 11.55528 2.91446 -219.57072 909.81743
1980.0000 -233.24205 -220.96578 12.27627 2.85235 -220.86392 921.80642
1985.0000 -232.76506 -220.10095 12.66411 2.86192 -220.66466 941.24508
1990.0000 -231.91230 -221.17602 10.73628 2.82513 -221.43065 922.81383
1995.0000 -230.22936 -219.33812 10.89124 2.82558 -221.42114 892.39121
2000.0000 -233.30354 -222.15132 11.15222 2.86496 -220.60128 901.82031
FREEZING PROCESS: loop number 9 T-loop= 867.00000000000000
main_MD> interactions number 9 at Temperature= 867.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.62190 3.57660 3.36034
force_rgl> df(natom) -0.28739 -0.07967 -2.04415
2005.0000 -233.55741 -222.72372 10.83369 2.78886 -222.18571 870.16758
2010.0000 -232.12183 -220.81778 11.30404 2.82092 -221.51819 920.45929
2015.0000 -232.22974 -220.53807 11.69167 2.85444 -220.82039 921.60153
2020.0000 -232.14194 -221.26546 10.87647 2.86029 -220.69850 893.64255
2025.0000 -233.43715 -222.10362 11.33352 2.84435 -221.03034 887.13673
2030.0000 -231.66819 -221.03545 10.63274 2.81989 -221.53962 892.54995
2035.0000 -232.84527 -222.54725 10.29802 2.76444 -222.69416 871.06425
2040.0000 -231.15824 -221.38636 9.77187 2.82807 -221.36943 909.95644
2045.0000 -232.92964 -220.62591 12.30374 2.81554 -221.63021 877.10723
2050.0000 -234.06468 -221.21632 12.84836 2.82678 -221.39615 902.19460
2055.0000 -232.27392 -222.97080 9.30312 2.81558 -221.62940 906.32548
2060.0000 -232.77852 -221.99605 10.78246 2.76360 -222.71173 842.43461
2065.0000 -232.16884 -223.35297 8.81586 2.78839 -222.19544 850.53850
2070.0000 -231.45988 -219.60592 11.85396 2.85301 -220.85012 911.30335
2075.0000 -233.41085 -221.73213 11.67873 2.77825 -222.40671 872.10168
2080.0000 -232.45624 -221.98031 10.47593 2.81145 -221.71541 890.05767
2085.0000 -230.39490 -220.09932 10.29557 2.78307 -222.30629 846.82184
2090.0000 -235.30803 -223.06814 12.23989 2.85857 -220.73436 923.67179
2095.0000 -235.85097 -226.10003 9.75095 2.71542 -223.71476 841.94484
2100.0000 -234.13439 -224.27074 9.86365 2.66802 -224.70159 849.27043
2105.0000 -233.32792 -222.58548 10.74244 2.72205 -223.57661 841.17124
2110.0000 -232.20173 -220.79185 11.40987 2.83655 -221.19272 917.04857
2115.0000 -234.97386 -224.45950 10.51436 2.75601 -222.86975 826.99209
2120.0000 -232.43039 -222.82137 9.60902 2.73017 -223.40764 832.06206
2125.0000 -233.24205 -222.28245 10.95960 2.78618 -222.24151 900.47945
2130.0000 -233.16722 -222.23432 10.93290 2.79661 -222.02436 893.35796
2135.0000 -233.83891 -221.60002 12.23890 2.78889 -222.18515 887.20910
2140.0000 -232.64784 -221.49681 11.15103 2.78909 -222.18093 871.38854
2145.0000 -230.74702 -219.85551 10.89151 2.83992 -221.12266 906.92303
2150.0000 -231.69559 -220.24914 11.44645 2.86335 -220.63480 880.09307
2155.0000 -233.31161 -221.87605 11.43557 2.86591 -220.58143 904.78736
2160.0000 -231.17173 -219.15290 12.01883 2.88251 -220.23593 942.36629
2165.0000 -229.79038 -220.33217 9.45821 2.92457 -219.36030 957.47647
2170.0000 -233.11129 -222.05592 11.05537 2.84273 -221.06413 894.71680
2175.0000 -232.62995 -221.30096 11.32899 2.81777 -221.58389 903.06459
2180.0000 -231.07460 -221.04106 10.03355 2.86767 -220.54490 911.96495
2185.0000 -232.73430 -222.55841 10.17589 2.78574 -222.25062 872.02067
2190.0000 -234.47713 -223.44740 11.02973 2.74477 -223.10357 849.60269
2195.0000 -233.56926 -223.59368 9.97559 2.72816 -223.44953 844.13353
2200.0000 -230.41985 -220.56416 9.85569 2.76129 -222.75971 845.53804
2205.0000 -232.72604 -222.23837 10.48767 2.81747 -221.59011 864.62315
2210.0000 -231.59858 -220.04689 11.55170 2.77727 -222.42701 862.52264
2215.0000 -232.68020 -220.30940 12.37080 2.87428 -220.40735 916.13356
2220.0000 -233.02232 -221.43654 11.58578 2.79679 -222.02062 887.11618
2225.0000 -230.66868 -218.39146 12.27721 2.85680 -220.77112 888.82914
2230.0000 -230.02484 -219.24390 10.78094 2.92436 -219.36458 959.01304
2235.0000 -232.19574 -221.94666 10.24908 2.85090 -220.89396 899.85354
2240.0000 -232.29768 -222.73495 9.56273 2.78185 -222.33162 871.66556
2245.0000 -232.99274 -223.03235 9.96039 2.70889 -223.85078 832.26728
2250.0000 -232.56367 -222.65830 9.90537 2.74404 -223.11897 840.69933
FREEZING PROCESS: loop number 10 T-loop= 842.00000000000000
main_MD> interactions number 10 at Temperature= 842.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.96100 -0.47898 -0.97124
force_rgl> df(natom) -0.50717 0.90541 2.26499
2255.0000 -232.36106 -222.05381 10.30725 2.78392 -222.28855 870.12178
2260.0000 -232.80218 -222.56609 10.23609 2.74735 -223.05004 849.51797
2265.0000 -233.24253 -223.87706 9.36547 2.74373 -223.12541 837.75735
2270.0000 -234.32916 -223.89077 10.43839 2.73127 -223.38484 862.73801
2275.0000 -234.97365 -224.80308 10.17056 2.70289 -223.97558 812.52349
2280.0000 -235.29764 -225.87740 9.42024 2.64251 -225.23272 797.03096
2285.0000 -234.05293 -224.89146 9.16147 2.63757 -225.33566 778.87982
2290.0000 -234.44169 -224.83195 9.60974 2.70219 -223.99018 815.68308
2295.0000 -234.16571 -224.44985 9.71586 2.63389 -225.41223 802.41352
2300.0000 -234.37479 -225.21251 9.16228 2.61153 -225.87773 780.23190
2305.0000 -230.84438 -219.94283 10.90156 2.77388 -222.49755 862.18089
2310.0000 -233.41863 -221.72257 11.69606 2.86714 -220.55592 936.83235
2315.0000 -234.47918 -223.97630 10.50289 2.77989 -222.37254 861.84123
2320.0000 -234.82366 -225.73706 9.08660 2.62192 -225.66147 760.76069
2325.0000 -236.66268 -225.18308 11.47959 2.67665 -224.52197 810.25332
2330.0000 -233.39062 -223.05581 10.33480 2.67053 -224.64932 803.18102
2335.0000 -233.90934 -224.35046 9.55888 2.73434 -223.32075 837.27831
2340.0000 -234.07721 -224.49677 9.58044 2.69307 -224.18000 816.96434
2345.0000 -236.58408 -225.75991 10.82417 2.63867 -225.31270 796.13732
2350.0000 -234.15867 -224.13162 10.02705 2.63886 -225.30864 798.47693
2355.0000 -234.30018 -224.89981 9.40037 2.66383 -224.78888 794.08209
2360.0000 -234.29034 -224.61409 9.67624 2.67212 -224.61617 826.80833
2365.0000 -233.60343 -223.49626 10.10717 2.67579 -224.53988 810.27367
2370.0000 -233.17138 -222.35716 10.81423 2.72728 -223.46777 826.00134
2375.0000 -231.78645 -221.53733 10.24912 2.76777 -222.62473 876.25759
2380.0000 -232.88829 -222.52306 10.36523 2.80409 -221.86869 880.42962
2385.0000 -233.73990 -224.60134 9.13856 2.69620 -224.11481 818.01033
2390.0000 -233.11424 -223.25171 9.86253 2.69469 -224.14641 822.90567
2395.0000 -232.95337 -223.76833 9.18503 2.71306 -223.76377 827.77229
2400.0000 -233.36485 -225.06768 8.29717 2.69886 -224.05942 812.26911
2405.0000 -234.43965 -224.98683 9.45282 2.61389 -225.82852 775.25555
2410.0000 -234.12812 -223.93593 10.19219 2.67434 -224.57005 791.43560
2415.0000 -234.62155 -222.87051 11.75104 2.71868 -223.64696 837.89987
2420.0000 -233.51742 -223.65781 9.85961 2.73825 -223.23941 838.31569
2425.0000 -234.47688 -224.16129 10.31559 2.69978 -224.04027 824.45735
2430.0000 -233.98177 -224.48045 9.50132 2.66807 -224.70066 814.21808
2435.0000 -232.71874 -223.00078 9.71797 2.69089 -224.22540 834.85328
2440.0000 -234.86089 -224.79049 10.07040 2.71442 -223.73546 808.65390
2445.0000 -234.65101 -224.41456 10.23645 2.67711 -224.51242 819.86080
2450.0000 -232.86139 -223.77088 9.09051 2.69433 -224.15386 809.86579
2455.0000 -233.34520 -222.78082 10.56438 2.69475 -224.14513 802.54176
2460.0000 -233.49792 -221.59632 11.90160 2.73328 -223.34283 860.05819
2465.0000 -234.91947 -223.15982 11.75964 2.80672 -221.81395 898.14858
2470.0000 -233.25054 -223.41289 9.83765 2.71012 -223.82515 839.11463
2475.0000 -234.25398 -222.05465 12.19933 2.77221 -222.53231 870.03390
2480.0000 -232.55591 -221.82182 10.73409 2.78411 -222.28470 866.37620
2485.0000 -233.68752 -222.56948 11.11804 2.77305 -222.51495 894.49269
2490.0000 -232.88698 -221.96475 10.92223 2.75288 -222.93481 836.58054
2495.0000 -234.18808 -224.80924 9.37885 2.72657 -223.48268 835.91166
2500.0000 -234.80716 -226.57712 8.23004 2.61288 -225.84969 759.55179
FREEZING PROCESS: loop number 11 T-loop= 817.00000000000000
main_MD> interactions number 11 at Temperature= 817.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.49028 -2.11049 0.34173
force_rgl> df(natom) 0.78273 1.63840 0.81871
2505.0000 -235.31349 -226.31355 8.99994 2.61080 -225.89299 759.24197
2510.0000 -236.04982 -227.40588 8.64394 2.62535 -225.59010 774.66525
2515.0000 -236.18574 -226.55670 9.62903 2.61028 -225.90377 766.53886
2520.0000 -236.89916 -228.34225 8.55690 2.53871 -227.39377 732.49049
2525.0000 -235.77012 -225.82065 9.94947 2.58447 -226.44123 762.05825
2530.0000 -234.46535 -226.08901 8.37634 2.61318 -225.84348 764.86406
2535.0000 -233.98813 -224.55196 9.43617 2.67566 -224.54264 800.57990
2540.0000 -234.47171 -224.87646 9.59525 2.64627 -225.15449 781.18389
2545.0000 -234.15386 -224.15039 10.00347 2.68326 -224.38440 824.80509
2550.0000 -234.98422 -225.31312 9.67110 2.66027 -224.86288 835.68229
2555.0000 -234.98680 -226.66807 8.31873 2.62064 -225.68814 787.58993
2560.0000 -234.02869 -224.83287 9.19582 2.66024 -224.86353 785.32619
2565.0000 -234.71362 -225.74472 8.96890 2.63439 -225.40189 789.81756
2570.0000 -234.01449 -224.94383 9.07066 2.67182 -224.62241 785.32932
2575.0000 -236.04676 -226.03263 10.01413 2.63313 -225.42805 795.48587
2580.0000 -233.74843 -223.94650 9.80193 2.65561 -224.95991 772.66353
2585.0000 -234.75050 -225.16187 9.58863 2.62856 -225.52307 770.27830
2590.0000 -233.72108 -223.65099 10.07009 2.70889 -223.85065 825.55964
2595.0000 -236.58742 -225.87292 10.71449 2.70454 -223.94122 831.75095
2600.0000 -235.02438 -223.62484 11.39954 2.64266 -225.22953 788.75818
2605.0000 -235.43771 -226.30703 9.13068 2.67531 -224.54987 824.13528
2610.0000 -235.75835 -225.19869 10.55966 2.61170 -225.87425 765.50329
2615.0000 -234.46028 -225.63560 8.82468 2.63939 -225.29771 774.36849
2620.0000 -235.62604 -225.11998 10.50606 2.66364 -224.79278 799.37232
2625.0000 -236.36196 -225.12945 11.23251 2.65894 -224.89058 806.82255
2630.0000 -235.46553 -225.53572 9.92981 2.61391 -225.82828 761.91889
2635.0000 -235.27361 -226.14170 9.13191 2.61343 -225.83813 763.43390
2640.0000 -234.65462 -226.00052 8.65409 2.60826 -225.94573 761.84679
2645.0000 -233.28179 -224.21869 9.06310 2.67299 -224.59818 781.11261
2650.0000 -235.62333 -226.01643 9.60690 2.61057 -225.89777 746.53314
2655.0000 -234.15393 -225.33512 8.81881 2.60212 -226.07360 757.31505
2660.0000 -234.56323 -225.82765 8.73558 2.64197 -225.24394 786.23382
2665.0000 -233.58790 -224.11844 9.46946 2.68270 -224.39603 800.19156
2670.0000 -235.18288 -224.68802 10.49485 2.68845 -224.27633 818.25138
2675.0000 -234.24517 -223.16108 11.08410 2.74551 -223.08825 862.50278
2680.0000 -233.45851 -224.16709 9.29142 2.74734 -223.05013 853.55221
2685.0000 -231.45743 -221.77334 9.68409 2.75117 -222.97050 842.21847
2690.0000 -232.50345 -221.55017 10.95327 2.76152 -222.75483 845.41818
2695.0000 -233.22739 -221.46706 11.76033 2.80798 -221.78770 893.86298
2700.0000 -234.34041 -223.84008 10.50033 2.74581 -223.08202 871.43264
2705.0000 -234.52196 -225.29236 9.22960 2.70756 -223.87846 812.51644
2710.0000 -237.23104 -228.04959 9.18145 2.59417 -226.23921 756.94063
2715.0000 -233.86602 -224.92235 8.94367 2.59962 -226.12560 757.82767
2720.0000 -233.61097 -224.95007 8.66091 2.67473 -224.56193 796.06816
2725.0000 -231.69254 -221.80927 9.88327 2.73220 -223.36541 833.29400
2730.0000 -234.41016 -221.99811 12.41205 2.81186 -221.70687 912.21243
2735.0000 -233.87460 -224.03690 9.83770 2.73108 -223.38875 854.70140
2740.0000 -233.90431 -222.87087 11.03344 2.69558 -224.12781 836.38168
2745.0000 -233.29795 -221.79950 11.49846 2.77039 -222.57031 893.49683
2750.0000 -232.37755 -221.32532 11.05223 2.83366 -221.25294 886.43814
FREEZING PROCESS: loop number 12 T-loop= 792.00000000000000
main_MD> interactions number 12 at Temperature= 792.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30218 -0.59117 -2.40724
force_rgl> df(natom) 1.37719 -1.65515 -2.33573
2755.0000 -233.83837 -224.71313 9.12523 2.78358 -222.29565 868.72552
2760.0000 -235.44107 -224.77380 10.66727 2.63776 -225.33172 773.96086
2765.0000 -234.42701 -224.91133 9.51568 2.61647 -225.77485 777.15208
2770.0000 -232.96472 -223.31894 9.64578 2.73747 -223.25565 823.99369
2775.0000 -234.31002 -224.68119 9.62883 2.72040 -223.61101 805.64428
2780.0000 -234.66330 -223.89040 10.77290 2.69827 -224.07171 809.26484
2785.0000 -234.61946 -225.11129 9.50817 2.65750 -224.92055 782.16327
2790.0000 -233.64178 -224.83953 8.80226 2.64729 -225.13325 781.00272
2795.0000 -235.60639 -225.25087 10.35551 2.67625 -224.53036 817.80359
2800.0000 -236.01283 -227.41269 8.60015 2.56967 -226.74920 735.45242
2805.0000 -235.60655 -225.51340 10.09315 2.61420 -225.82222 768.75961
2810.0000 -235.82350 -224.86630 10.95720 2.61366 -225.83347 787.63220
2815.0000 -234.46606 -225.08005 9.38601 2.62341 -225.63048 784.59599
2820.0000 -235.53506 -227.17854 8.35652 2.61103 -225.88804 755.85966
2825.0000 -234.93987 -225.34522 9.59465 2.63348 -225.42073 773.74255
2830.0000 -235.52938 -226.09389 9.43550 2.65166 -225.04229 776.12035
2835.0000 -234.75210 -223.90667 10.84543 2.68660 -224.31471 830.88157
2840.0000 -233.88931 -223.56765 10.32166 2.69210 -224.20018 824.65542
2845.0000 -234.98849 -224.26027 10.72823 2.74472 -223.10474 855.04122
2850.0000 -235.28754 -225.36098 9.92656 2.68703 -224.30573 796.82134
2855.0000 -237.81585 -228.14238 9.67347 2.56487 -226.84910 739.52083
2860.0000 -235.94271 -226.21807 9.72464 2.54634 -227.23502 734.65737
2865.0000 -233.11063 -223.44944 9.66119 2.67496 -224.55714 809.39029
2870.0000 -232.53687 -222.51940 10.01747 2.74406 -223.11838 840.83020
2875.0000 -233.26255 -223.75200 9.51056 2.74218 -223.15751 835.26312
2880.0000 -235.75427 -226.66055 9.09371 2.65486 -224.97568 777.58141
2885.0000 -235.53064 -224.88022 10.65042 2.60565 -226.00008 758.52247
2890.0000 -234.31518 -223.40715 10.90802 2.69111 -224.22077 809.76051
2895.0000 -234.47845 -224.79012 9.68833 2.72468 -223.52197 844.63724
2900.0000 -232.79829 -224.30028 8.49800 2.65400 -224.99346 783.11226
2905.0000 -232.91012 -223.97120 8.93892 2.67842 -224.48515 800.25800
2910.0000 -233.42058 -224.90344 8.51714 2.66934 -224.67413 803.37989
2915.0000 -232.06736 -223.04666 9.02070 2.68299 -224.39002 806.84527
2920.0000 -233.12846 -223.27311 9.85535 2.75014 -222.99179 822.55607
2925.0000 -235.25482 -224.46847 10.78635 2.73480 -223.31127 837.55907
2930.0000 -235.95999 -224.55647 11.40352 2.66282 -224.80991 803.99140
2935.0000 -235.23079 -226.99643 8.23435 2.59111 -226.30278 775.07944
2940.0000 -233.90866 -223.32208 10.58658 2.66287 -224.80873 802.53231
2945.0000 -236.45964 -227.06547 9.39417 2.66097 -224.84836 780.68464
2950.0000 -236.20985 -225.57121 10.63864 2.55711 -227.01085 729.02569
2955.0000 -235.58272 -224.56274 11.01998 2.66884 -224.68447 799.19378
2960.0000 -234.04722 -223.72590 10.32132 2.70791 -223.87103 805.09028
2965.0000 -235.04961 -226.38829 8.66132 2.64343 -225.21354 781.63779
2970.0000 -235.03813 -225.29032 9.74782 2.62481 -225.60125 782.79522
2975.0000 -235.44741 -226.36761 9.07981 2.65553 -224.96161 785.10625
2980.0000 -235.75402 -227.44073 8.31329 2.57458 -226.64704 736.48612
2985.0000 -235.39875 -224.79008 10.60867 2.58719 -226.38456 752.63087
2990.0000 -234.54782 -223.88436 10.66346 2.68631 -224.32081 822.75247
2995.0000 -233.39591 -223.47560 9.92030 2.65554 -224.96147 797.91300
3000.0000 -234.42180 -223.47721 10.94459 2.70868 -223.85512 827.84765
FREEZING PROCESS: loop number 13 T-loop= 767.00000000000000
main_MD> interactions number 13 at Temperature= 767.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58227 0.33231 0.78123
force_rgl> df(natom) 2.78430 -0.78649 1.23417
3005.0000 -235.11903 -225.56767 9.55136 2.67087 -224.64237 815.36658
3010.0000 -233.67561 -223.86630 9.80931 2.68761 -224.29371 813.86299
3015.0000 -234.22180 -224.13486 10.08694 2.65434 -224.98650 765.90095
3020.0000 -233.68699 -224.33421 9.35278 2.68989 -224.24636 810.62893
3025.0000 -233.39452 -222.71225 10.68227 2.72517 -223.51177 837.90626
3030.0000 -234.32280 -224.27450 10.04830 2.71771 -223.66700 822.57377
3035.0000 -234.52377 -223.65280 10.87097 2.67822 -224.48915 810.77512
3040.0000 -232.50591 -222.09739 10.40852 2.76156 -222.75414 860.49753
3045.0000 -235.64932 -226.09641 9.55292 2.68466 -224.35511 816.73052
3050.0000 -235.58813 -225.50681 10.08132 2.61924 -225.71723 759.28528
3055.0000 -234.73764 -225.21529 9.52235 2.64268 -225.22927 789.75782
3060.0000 -234.03059 -224.51111 9.51948 2.66844 -224.69287 803.61508
3065.0000 -232.44816 -223.10982 9.33835 2.72132 -223.59182 801.02528
3070.0000 -236.70672 -227.05807 9.64864 2.68075 -224.43659 812.82236
3075.0000 -236.72724 -228.08809 8.63915 2.53968 -227.37356 717.15120
3080.0000 -237.38676 -226.38415 11.00260 2.57446 -226.64964 760.16126
3085.0000 -236.51912 -226.13041 10.38871 2.60912 -225.92795 778.06277
3090.0000 -233.91427 -224.43116 9.48310 2.61955 -225.71080 752.99686
3095.0000 -236.48139 -226.71072 9.77067 2.65203 -225.03452 778.66842
3100.0000 -233.74465 -225.08634 8.65831 2.60835 -225.94388 753.25448
3105.0000 -233.71537 -223.53915 10.17622 2.69105 -224.22221 811.88619
3110.0000 -235.88985 -224.75263 11.13721 2.67278 -224.60258 829.02599
3115.0000 -235.67417 -226.00109 9.67308 2.66125 -224.84248 815.71092
3120.0000 -235.72953 -225.62742 10.10211 2.64041 -225.27646 796.54129
3125.0000 -236.24031 -226.97662 9.26368 2.60140 -226.08874 768.47612
3130.0000 -233.95839 -225.12318 8.83520 2.64018 -225.28118 797.96421
3135.0000 -235.35654 -226.03359 9.32295 2.62075 -225.68581 772.03128
3140.0000 -234.45075 -226.11036 8.34039 2.61003 -225.90902 778.37058
3145.0000 -234.68615 -225.33701 9.34915 2.65280 -225.01852 796.25955
3150.0000 -236.02033 -227.82705 8.19328 2.58768 -226.37434 752.22489
3155.0000 -235.64637 -227.01442 8.63196 2.53462 -227.47910 699.92403
3160.0000 -235.69498 -225.84737 9.84761 2.57948 -226.54496 739.86486
3165.0000 -235.79997 -225.15504 10.64493 2.65950 -224.87896 794.81219
3170.0000 -234.64824 -225.68107 8.96717 2.63306 -225.42950 786.54901
3175.0000 -233.14027 -223.27458 9.86569 2.66074 -224.85309 812.27751
3180.0000 -235.87606 -226.97419 8.90188 2.64164 -225.25089 760.05267
3185.0000 -236.27676 -227.05324 9.22352 2.58131 -226.50698 749.85172
3190.0000 -236.44679 -227.15021 9.29658 2.51546 -227.87798 727.69770
3195.0000 -235.70103 -225.04355 10.65748 2.63796 -225.32739 799.33716
3200.0000 -234.56915 -226.19575 8.37340 2.61727 -225.75828 757.39665
3205.0000 -235.11722 -224.76315 10.35407 2.59982 -226.12151 737.12728
3210.0000 -235.42349 -225.26070 10.16278 2.64868 -225.10429 788.36716
3215.0000 -234.77729 -225.18941 9.58787 2.62591 -225.57834 758.80964
3220.0000 -234.78163 -224.68181 10.09982 2.67835 -224.48655 790.74819
3225.0000 -235.42905 -225.84286 9.58619 2.63430 -225.40366 795.59186
3230.0000 -236.04185 -227.22337 8.81848 2.54749 -227.21100 747.62699
3235.0000 -235.30231 -228.02361 7.27870 2.54801 -227.20015 728.90500
3240.0000 -234.50062 -225.86496 8.63566 2.56865 -226.77055 727.29797
3245.0000 -233.64104 -225.86786 7.77318 2.63095 -225.47345 769.83767
3250.0000 -235.55240 -226.13858 9.41382 2.62626 -225.57109 785.84447
FREEZING PROCESS: loop number 14 T-loop= 742.00000000000000
main_MD> interactions number 14 at Temperature= 742.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25585 -1.24810 0.26783
force_rgl> df(natom) 1.47341 -2.11900 0.09797
3255.0000 -237.14898 -228.77628 8.37271 2.59553 -226.21090 758.27066
3260.0000 -236.03046 -225.27972 10.75074 2.55575 -227.03905 730.36280
3265.0000 -235.94315 -226.23005 9.71310 2.63753 -225.33639 804.40267
3270.0000 -238.07736 -229.78110 8.29627 2.49328 -228.33971 706.25527
3275.0000 -238.44226 -228.89923 9.54303 2.46986 -228.82727 692.08105
3280.0000 -236.41245 -227.44402 8.96844 2.48344 -228.54463 690.80758
3285.0000 -238.23277 -228.83448 9.39828 2.51475 -227.89279 705.45234
3290.0000 -236.31412 -226.79477 9.51934 2.51887 -227.80685 707.23324
3295.0000 -234.52139 -226.82132 7.70006 2.55413 -227.07278 736.79502
3300.0000 -236.32563 -227.70455 8.62108 2.50348 -228.12734 713.06019
3305.0000 -235.18315 -227.03223 8.15093 2.50483 -228.09931 700.82103
3310.0000 -235.84536 -226.91138 8.93398 2.53578 -227.45496 713.92345
3315.0000 -234.54677 -226.19347 8.35330 2.60882 -225.93406 778.99374
3320.0000 -235.70070 -226.05465 9.64606 2.59726 -226.17488 756.78070
3325.0000 -237.81630 -228.69258 9.12372 2.53497 -227.47168 716.46657
3330.0000 -235.47088 -226.26429 9.20659 2.56293 -226.88954 759.58901
3335.0000 -236.22872 -226.76775 9.46097 2.60964 -225.91703 785.45949
3340.0000 -236.96288 -228.16631 8.79656 2.49934 -228.21361 732.92984
3345.0000 -233.95637 -224.52580 9.43056 2.56759 -226.79259 735.12846
3350.0000 -236.06803 -224.80310 11.26493 2.68081 -224.43538 815.97030
3355.0000 -234.94250 -225.80640 9.13610 2.62742 -225.54686 792.61398
3360.0000 -236.41306 -226.23440 10.17866 2.59389 -226.24493 754.93837
3365.0000 -236.57862 -227.69457 8.88405 2.56243 -226.89994 699.41455
3370.0000 -235.61822 -228.08529 7.53293 2.48775 -228.45483 687.56441
3375.0000 -236.63537 -228.17149 8.46388 2.51907 -227.80279 689.40450
3380.0000 -234.91810 -225.86924 9.04886 2.53725 -227.42423 722.20093
3385.0000 -236.05433 -225.13936 10.91496 2.63444 -225.40075 798.94205
3390.0000 -235.98831 -226.17147 9.81684 2.56349 -226.87783 742.04514
3395.0000 -236.62092 -226.11044 10.51048 2.60651 -225.98234 790.57009
3400.0000 -235.49929 -225.52776 9.97152 2.59157 -226.29325 765.61509
3405.0000 -237.07657 -227.40126 9.67531 2.55251 -227.10656 766.01426
3410.0000 -235.75810 -225.51674 10.24136 2.56165 -226.91616 747.10724
3415.0000 -236.76688 -226.88138 9.88550 2.60012 -226.11536 754.72686
3420.0000 -237.13038 -229.02136 8.10902 2.52548 -227.66929 713.90128
3425.0000 -236.64410 -226.76673 9.87736 2.51009 -227.98971 721.24584
3430.0000 -236.73290 -226.22295 10.50994 2.57660 -226.60493 751.67916
3435.0000 -236.57223 -228.47964 8.09259 2.55147 -227.12822 744.43101
3440.0000 -237.42195 -229.08517 8.33678 2.44889 -229.26383 683.34658
3445.0000 -235.97480 -227.11438 8.86042 2.50916 -228.00914 698.20221
3450.0000 -234.92839 -224.72302 10.20538 2.60765 -225.95851 769.76033
3455.0000 -236.60377 -227.05298 9.55079 2.59139 -226.29709 747.95540
3460.0000 -236.53386 -227.80522 8.72864 2.53215 -227.53039 729.46532
3465.0000 -237.08083 -228.10878 8.97206 2.51681 -227.84977 703.74476
3470.0000 -234.80136 -226.03748 8.76389 2.55794 -226.99352 728.24409
3475.0000 -236.23209 -226.51910 9.71300 2.62009 -225.69942 775.68445
3480.0000 -233.64905 -224.82613 8.82292 2.58098 -226.51378 749.11773
3485.0000 -236.29967 -227.79438 8.50529 2.56002 -226.95023 745.62821
3490.0000 -235.62387 -226.90802 8.71584 2.51600 -227.86677 719.87381
3495.0000 -236.29173 -227.29928 8.99244 2.57440 -226.65070 763.58319
3500.0000 -236.50040 -227.51992 8.98048 2.54673 -227.22690 740.89124
FREEZING PROCESS: loop number 15 T-loop= 717.00000000000000
main_MD> interactions number 15 at Temperature= 717.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.81563 -1.99518 0.43987
force_rgl> df(natom) -0.32794 -2.53827 -0.65250
3505.0000 -236.90376 -228.00058 8.90318 2.49689 -228.26447 713.74556
3510.0000 -237.18175 -228.37316 8.80859 2.47604 -228.69859 696.00999
3515.0000 -238.31459 -229.50580 8.80879 2.46755 -228.87535 673.25442
3520.0000 -237.51131 -229.07789 8.43341 2.47174 -228.78816 679.40947
3525.0000 -237.27428 -229.54842 7.72586 2.44889 -229.26392 663.77685
3530.0000 -236.64486 -227.84150 8.80336 2.48449 -228.52263 705.71147
3535.0000 -237.90591 -229.98426 7.92166 2.43426 -229.56852 662.67708
3540.0000 -236.14980 -227.89011 8.25969 2.47629 -228.69344 687.56656
3545.0000 -238.81953 -231.21185 7.60768 2.42103 -229.84401 629.55052
3550.0000 -238.44895 -229.67668 8.77227 2.39190 -230.45050 644.53482
3555.0000 -235.56132 -227.59602 7.96530 2.47388 -228.74365 703.64296
3560.0000 -237.10952 -228.55883 8.55068 2.48288 -228.55619 683.83823
3565.0000 -236.24487 -227.55894 8.68593 2.49503 -228.30330 710.57147
3570.0000 -236.17851 -228.98551 7.19301 2.47613 -228.69671 678.03222
3575.0000 -238.09499 -227.91156 10.18342 2.47229 -228.77669 689.73712
3580.0000 -237.24039 -228.13862 9.10177 2.47311 -228.75972 680.66479
3585.0000 -237.13035 -228.24041 8.88995 2.48423 -228.52806 671.70883
3590.0000 -235.82266 -226.99013 8.83253 2.54453 -227.27273 729.37487
3595.0000 -237.72512 -229.06439 8.66073 2.47646 -228.68996 683.28096
3600.0000 -238.27557 -228.27056 10.00501 2.48184 -228.57792 712.59467
3605.0000 -235.81877 -227.89026 7.92852 2.48507 -228.51065 700.56298
3610.0000 -236.80785 -228.89827 7.90957 2.49866 -228.22779 695.09290
3615.0000 -237.45199 -227.88943 9.56257 2.50451 -228.10581 700.15402
3620.0000 -236.89522 -227.31890 9.57633 2.51908 -227.80247 699.20103
3625.0000 -236.52132 -227.93238 8.58894 2.52799 -227.61699 719.74921
3630.0000 -234.67747 -226.08180 8.59566 2.55187 -227.11994 720.97129
3635.0000 -237.43293 -228.49952 8.93341 2.49926 -228.21521 704.66970
3640.0000 -237.39959 -230.09199 7.30760 2.44320 -229.38238 687.16446
3645.0000 -237.89443 -230.06164 7.83278 2.49333 -228.33865 692.49700
3650.0000 -237.71012 -228.50570 9.20442 2.44913 -229.25893 677.78340
3655.0000 -235.53953 -225.84594 9.69359 2.53922 -227.38321 719.24617
3660.0000 -236.31106 -228.33235 7.97870 2.58430 -226.44475 754.76066
3665.0000 -235.60639 -227.64284 7.96355 2.53622 -227.44566 717.91809
3670.0000 -235.65086 -225.90376 9.74710 2.55757 -227.00126 727.28177
3675.0000 -235.22300 -226.88440 8.33861 2.57022 -226.73771 737.46808
3680.0000 -234.77426 -227.45482 7.31944 2.54265 -227.31191 723.80622
3685.0000 -236.55227 -227.81397 8.73829 2.51968 -227.79007 709.33576
3690.0000 -235.55284 -226.46197 9.09087 2.56159 -226.91750 748.84086
3695.0000 -235.53471 -227.04433 8.49037 2.52072 -227.76832 717.35072
3700.0000 -236.02914 -227.42275 8.60640 2.58076 -226.51838 753.58657
3705.0000 -235.51566 -227.75389 7.76178 2.52366 -227.70722 723.14722
3710.0000 -235.66711 -226.10974 9.55738 2.57189 -226.70310 756.75385
3715.0000 -237.44836 -227.43908 10.00928 2.55287 -227.09914 745.86858
3720.0000 -236.26147 -227.57533 8.68614 2.52974 -227.58064 726.12889
3725.0000 -235.72022 -227.67320 8.04703 2.53583 -227.45389 723.66818
3730.0000 -235.88247 -227.62340 8.25906 2.52226 -227.73629 729.68578
3735.0000 -236.71387 -228.22965 8.48422 2.50755 -228.04268 686.30658
3740.0000 -235.48715 -227.40337 8.08378 2.52461 -227.68733 712.31183
3745.0000 -235.54764 -227.48303 8.06461 2.52882 -227.59967 722.83855
3750.0000 -235.98429 -227.29644 8.68786 2.55161 -227.12532 746.27910
FREEZING PROCESS: loop number 16 T-loop= 692.00000000000000
main_MD> interactions number 16 at Temperature= 692.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.07799 -1.15399 -0.06924
force_rgl> df(natom) 1.90531 2.72290 1.12294
3755.0000 -235.19822 -225.51298 9.68523 2.58734 -226.38135 747.88178
3760.0000 -237.38159 -227.94551 9.43608 2.55583 -227.03747 733.92435
3765.0000 -236.87730 -228.88055 7.99674 2.50222 -228.15351 680.62744
3770.0000 -238.10217 -229.06373 9.03844 2.46748 -228.87691 680.69148
3775.0000 -236.97546 -228.75602 8.21944 2.51474 -227.89284 723.67770
3780.0000 -237.39772 -228.51042 8.88730 2.48540 -228.50375 705.79754
3785.0000 -237.14221 -229.34877 7.79344 2.44024 -229.44411 664.59798
3790.0000 -237.30781 -229.09903 8.20879 2.42722 -229.71500 678.55239
3795.0000 -237.44117 -228.55703 8.88415 2.45839 -229.06622 685.58665
3800.0000 -238.00078 -228.79317 9.20762 2.50017 -228.19618 704.04285
3805.0000 -237.70689 -229.09250 8.61438 2.42997 -229.65775 652.20937
3810.0000 -236.30189 -227.68699 8.61490 2.50824 -228.02831 709.05131
3815.0000 -236.77422 -228.21614 8.55808 2.52244 -227.73258 727.63005
3820.0000 -237.52433 -229.23335 8.29098 2.45688 -229.09752 663.78014
3825.0000 -236.87621 -228.46598 8.41023 2.44326 -229.38105 672.04452
3830.0000 -237.55727 -228.82395 8.73333 2.47913 -228.63437 687.40030
3835.0000 -237.21541 -229.93636 7.27905 2.42067 -229.85148 641.58967
3840.0000 -236.64195 -229.12988 7.51208 2.44966 -229.24784 655.47261
3845.0000 -236.56760 -228.93829 7.62931 2.46044 -229.02348 690.21655
3850.0000 -237.78122 -230.22738 7.55384 2.43608 -229.53054 670.18039
3855.0000 -237.57676 -228.76427 8.81249 2.42751 -229.70912 667.94083
3860.0000 -238.16131 -230.24745 7.91386 2.41840 -229.89882 642.00767
3865.0000 -237.78697 -230.76983 7.01714 2.37039 -230.89834 623.22933
3870.0000 -236.41371 -227.26301 9.15070 2.45138 -229.21210 670.54795
3875.0000 -236.84861 -227.84549 9.00312 2.51134 -227.96377 696.45948
3880.0000 -236.05356 -226.91575 9.13781 2.55328 -227.09044 733.56783
3885.0000 -236.77643 -227.11055 9.66587 2.54123 -227.34143 731.34203
3890.0000 -237.29245 -228.54673 8.74572 2.51784 -227.82836 714.28967
3895.0000 -237.43604 -228.27932 9.15672 2.45561 -229.12407 674.34138
3900.0000 -238.40614 -229.32433 9.08180 2.48816 -228.44633 706.69129
3905.0000 -237.03416 -228.98798 8.04618 2.43148 -229.62638 642.61490
3910.0000 -237.69819 -228.75072 8.94747 2.48249 -228.56430 698.67516
3915.0000 -237.92382 -230.12808 7.79573 2.42824 -229.69383 677.36922
3920.0000 -235.67752 -226.55381 9.12372 2.49077 -228.39195 699.98415
3925.0000 -237.26189 -228.17353 9.08836 2.52913 -227.59327 721.93370
3930.0000 -237.11208 -228.81284 8.29923 2.49312 -228.34312 706.10549
3935.0000 -238.21279 -229.61550 8.59729 2.42034 -229.85827 658.25482
3940.0000 -236.25058 -227.84772 8.40286 2.46834 -228.85900 690.07138
3945.0000 -236.49037 -226.77253 9.71784 2.54235 -227.31817 741.56244
3950.0000 -238.27396 -228.50696 9.76700 2.53701 -227.42917 718.88157
3955.0000 -236.85952 -229.24601 7.61351 2.47176 -228.78786 686.73700
3960.0000 -237.43152 -229.38907 8.04245 2.45788 -229.07664 686.14370
3965.0000 -238.62272 -230.99034 7.63238 2.39750 -230.33388 671.11272
3970.0000 -238.90155 -229.43767 9.46387 2.40825 -230.11006 661.36815
3975.0000 -238.49964 -229.72986 8.76978 2.47172 -228.78865 682.66742
3980.0000 -236.27203 -227.41998 8.85205 2.48250 -228.56424 709.63968
3985.0000 -236.99715 -227.54645 9.45070 2.48510 -228.51012 684.42795
3990.0000 -237.72410 -228.75776 8.96634 2.53143 -227.54534 713.41067
3995.0000 -237.52985 -229.15443 8.37541 2.45533 -229.12990 674.95178
4000.0000 -236.93067 -229.23648 7.69419 2.47988 -228.61872 711.10365
FREEZING PROCESS: loop number 17 T-loop= 667.00000000000000
main_MD> interactions number 17 at Temperature= 667.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72643 1.24497 -2.27730
force_rgl> df(natom) 1.48406 1.55653 -0.05103
4005.0000 -238.90458 -230.62524 8.27934 2.39728 -230.33835 643.59438
4010.0000 -238.70221 -229.98472 8.71748 2.38891 -230.51261 649.47285
4015.0000 -236.27759 -228.69269 7.58490 2.43608 -229.53062 674.17539
4020.0000 -235.99488 -228.29753 7.69735 2.50879 -228.01681 713.38831
4025.0000 -235.89938 -228.65049 7.24889 2.45369 -229.16407 672.46163
4030.0000 -237.27674 -229.22924 8.04750 2.45472 -229.14253 684.23493
4035.0000 -237.86950 -230.33198 7.53753 2.40398 -230.19889 649.63335
4040.0000 -238.53075 -230.44347 8.08728 2.41310 -230.00906 670.55193
4045.0000 -238.48415 -230.48961 7.99454 2.36416 -231.02799 624.89045
4050.0000 -238.16090 -229.71648 8.44442 2.38471 -230.60005 652.30412
4055.0000 -236.60793 -228.67114 7.93679 2.45128 -229.21422 672.87046
4060.0000 -236.96489 -227.79861 9.16627 2.53704 -227.42858 722.20522
4065.0000 -237.00830 -227.29505 9.71326 2.52965 -227.58241 710.01209
4070.0000 -236.83563 -227.67889 9.15674 2.50307 -228.13584 699.47546
4075.0000 -237.07004 -227.88795 9.18209 2.50109 -228.17706 727.23730
4080.0000 -237.51530 -229.41977 8.09553 2.49364 -228.33216 708.73147
4085.0000 -237.64532 -229.21768 8.42764 2.45659 -229.10353 658.39109
4090.0000 -236.84333 -228.78383 8.05950 2.47140 -228.79530 670.54449
4095.0000 -237.60976 -228.81277 8.79699 2.47200 -228.78285 679.41386
4100.0000 -236.58585 -228.39247 8.19339 2.48522 -228.50742 697.00185
4105.0000 -237.67349 -228.70439 8.96911 2.45859 -229.06185 672.43806
4110.0000 -236.31155 -228.61849 7.69305 2.48688 -228.47287 682.80938
4115.0000 -237.74464 -230.49401 7.25063 2.43427 -229.56835 660.91651
4120.0000 -238.07683 -230.69118 7.38564 2.38440 -230.60652 629.54096
4125.0000 -237.56378 -229.01473 8.54905 2.41535 -229.96225 648.33118
4130.0000 -239.03220 -230.85097 8.18123 2.37511 -230.79993 620.02000
4135.0000 -238.28111 -231.19967 7.08145 2.36446 -231.02182 617.17603
4140.0000 -238.78829 -231.92543 6.86286 2.33899 -231.55201 608.75740
4145.0000 -237.95146 -231.08849 6.86297 2.35873 -231.14101 624.89273
4150.0000 -238.38270 -230.67901 7.70369 2.39150 -230.45880 629.15891
4155.0000 -239.10645 -231.68434 7.42210 2.38822 -230.52697 634.31998
4160.0000 -238.26384 -231.39422 6.86962 2.35253 -231.27009 633.40737
4165.0000 -237.58640 -230.30384 7.28257 2.35630 -231.19160 605.12636
4170.0000 -237.89977 -229.90740 7.99237 2.43819 -229.48676 673.37029
4175.0000 -237.91338 -229.35406 8.55932 2.46444 -228.94020 682.07072
4180.0000 -237.25050 -228.34468 8.90582 2.45363 -229.16514 666.18770
4185.0000 -235.52103 -226.70513 8.81590 2.56390 -226.86942 724.06260
4190.0000 -238.11432 -229.40742 8.70690 2.50611 -228.07263 701.81774
4195.0000 -237.78400 -230.77988 7.00412 2.42090 -229.84666 648.62239
4200.0000 -236.76717 -229.12342 7.64376 2.42029 -229.85940 644.36238
4205.0000 -237.17153 -229.38467 7.78686 2.44399 -229.36602 678.98312
4210.0000 -236.85712 -229.01981 7.83731 2.45451 -229.14684 686.17336
4215.0000 -237.70030 -228.83626 8.86404 2.46919 -228.84135 715.44786
4220.0000 -239.01669 -229.85299 9.16371 2.44824 -229.27736 684.79955
4225.0000 -237.66527 -229.11686 8.54842 2.42186 -229.82672 664.37305
4230.0000 -236.05862 -227.99422 8.06440 2.49687 -228.26489 709.05222
4235.0000 -236.83828 -228.84946 7.98882 2.50993 -227.99308 712.66691
4240.0000 -237.40532 -229.66930 7.73602 2.44427 -229.36004 670.29399
4245.0000 -238.82520 -229.32257 9.50263 2.47163 -228.79045 686.36467
4250.0000 -238.30993 -230.54084 7.76909 2.39777 -230.32821 633.19750
FREEZING PROCESS: loop number 18 T-loop= 642.00000000000000
main_MD> interactions number 18 at Temperature= 642.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.04500 -3.13909 -1.29185
force_rgl> df(natom) 0.69844 1.13424 -0.54843
4255.0000 -237.53481 -229.25139 8.28341 2.41137 -230.04502 639.80405
4260.0000 -237.55801 -229.92555 7.63246 2.45882 -229.05714 680.24348
4265.0000 -238.86138 -231.29929 7.56210 2.39202 -230.44802 632.02257
4270.0000 -239.46754 -231.83855 7.62898 2.34065 -231.51738 602.30991
4275.0000 -238.73542 -230.88730 7.84812 2.34281 -231.47243 623.49630
4280.0000 -236.93130 -228.52077 8.41054 2.41470 -229.97575 653.56358
4285.0000 -238.23232 -230.54375 7.68857 2.42309 -229.80105 667.54972
4290.0000 -238.25954 -230.18636 8.07318 2.39783 -230.32702 644.24733
4295.0000 -238.38376 -230.85506 7.52870 2.37979 -230.70261 647.75933
4300.0000 -239.19495 -232.43533 6.75963 2.33778 -231.57718 620.79932
4305.0000 -238.93077 -232.76196 6.16881 2.26890 -233.01133 566.67985
4310.0000 -238.23631 -229.80875 8.42756 2.36655 -230.97814 622.62562
4315.0000 -239.49239 -231.02010 8.47229 2.38109 -230.67561 640.89833
4320.0000 -238.35491 -231.06379 7.29112 2.39453 -230.39576 655.91004
4325.0000 -238.91074 -231.48284 7.42790 2.36537 -231.00288 643.24407
4330.0000 -238.33058 -230.47315 7.85743 2.37199 -230.86498 623.41847
4335.0000 -238.11083 -228.77453 9.33629 2.45383 -229.16116 671.64248
4340.0000 -238.35323 -229.70868 8.64455 2.42708 -229.71801 666.41117
4345.0000 -237.48172 -229.70325 7.77847 2.45664 -229.10255 690.38558
4350.0000 -237.01272 -229.69511 7.31761 2.43952 -229.45905 648.44236
4355.0000 -238.06793 -230.21492 7.85301 2.41187 -230.03462 649.96353
4360.0000 -237.13392 -230.20603 6.92789 2.38628 -230.56738 625.54266
4365.0000 -237.67617 -230.69415 6.98201 2.41092 -230.05444 648.58147
4370.0000 -237.70072 -230.26160 7.43912 2.34870 -231.34992 602.54127
4375.0000 -239.45165 -231.61260 7.83905 2.37215 -230.86161 622.65678
4380.0000 -239.05900 -230.61991 8.43908 2.35471 -231.22482 600.22396
4385.0000 -237.69604 -229.42747 8.26857 2.42381 -229.78617 655.55285
4390.0000 -238.50238 -230.72724 7.77514 2.40250 -230.22966 644.70374
4395.0000 -238.10631 -230.19970 7.90661 2.38914 -230.50796 657.86563
4400.0000 -238.91997 -230.50889 8.41107 2.40391 -230.20047 653.91089
4405.0000 -238.80396 -231.63218 7.17178 2.33984 -231.53442 603.88620
4410.0000 -238.53154 -231.25417 7.27738 2.34445 -231.43833 605.82332
4415.0000 -239.70437 -231.85179 7.85258 2.36372 -231.03710 615.15888
4420.0000 -238.89722 -231.74580 7.15142 2.37064 -230.89301 608.74238
4425.0000 -240.18450 -232.38728 7.79722 2.32311 -231.88259 595.70757
4430.0000 -238.16861 -229.78931 8.37931 2.35908 -231.13368 611.29914
4435.0000 -238.56812 -230.02703 8.54108 2.42171 -229.82979 666.07052
4440.0000 -238.70763 -231.73172 6.97591 2.34783 -231.36790 603.43350
4445.0000 -236.49497 -229.53219 6.96278 2.38419 -230.61096 631.37511
4450.0000 -237.16436 -229.01208 8.15227 2.41799 -229.90727 664.38773
4455.0000 -238.56798 -230.52649 8.04149 2.42569 -229.74693 672.31861
4460.0000 -238.61358 -231.25950 7.35408 2.38282 -230.63957 622.25678
4465.0000 -238.22854 -229.01715 9.21139 2.40592 -230.15862 632.00947
4470.0000 -237.09851 -228.66227 8.43624 2.47037 -228.81680 682.34315
4475.0000 -237.13848 -229.76160 7.37688 2.47270 -228.76826 655.39846
4480.0000 -238.28570 -229.68239 8.60331 2.41962 -229.87341 652.76402
4485.0000 -237.47276 -229.11070 8.36206 2.42898 -229.67844 652.07137
4490.0000 -237.63045 -228.35930 9.27115 2.46823 -228.86127 671.21583
4495.0000 -235.89159 -228.44318 7.44841 2.49173 -228.37190 702.79940
4500.0000 -238.02941 -229.71769 8.31173 2.46419 -228.94546 704.20575
FREEZING PROCESS: loop number 19 T-loop= 617.00000000000000
main_MD> interactions number 19 at Temperature= 617.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.73039 -1.79758 0.89387
force_rgl> df(natom) 1.26398 -1.37563 0.79640
4505.0000 -238.40424 -231.01031 7.39394 2.38330 -230.62951 624.61206
4510.0000 -238.68145 -231.13654 7.54490 2.33707 -231.59196 603.82443
4515.0000 -238.30322 -231.39710 6.90612 2.31817 -231.98558 590.32730
4520.0000 -237.11324 -229.96729 7.14595 2.37242 -230.85609 622.78803
4525.0000 -239.41778 -231.27966 8.13812 2.39075 -230.47445 655.14531
4530.0000 -237.67786 -229.41575 8.26211 2.34106 -231.50890 617.12039
4535.0000 -238.66869 -231.48587 7.18282 2.39979 -230.28611 659.75284
4540.0000 -239.82916 -231.97232 7.85685 2.33710 -231.59135 623.84743
4545.0000 -239.28973 -231.83204 7.45769 2.31714 -232.00687 612.13665
4550.0000 -238.84584 -231.88427 6.96156 2.33012 -231.73674 610.78005
4555.0000 -239.11331 -231.77151 7.34180 2.34735 -231.37793 615.31488
4560.0000 -237.52506 -230.56030 6.96476 2.36004 -231.11378 634.83727
4565.0000 -237.46728 -230.37908 7.08820 2.39468 -230.39251 647.31009
4570.0000 -238.87370 -231.91460 6.95911 2.35109 -231.30020 613.69136
4575.0000 -239.28506 -232.34819 6.93687 2.33146 -231.70889 595.61512
4580.0000 -238.02997 -230.41965 7.61032 2.35154 -231.29067 618.40163
4585.0000 -239.13733 -231.36602 7.77132 2.36712 -230.96641 632.14353
4590.0000 -240.27622 -232.65347 7.62275 2.32310 -231.88293 618.62188
4595.0000 -239.16987 -232.78103 6.38884 2.26619 -233.06778 554.69671
4600.0000 -239.37039 -232.51724 6.85315 2.27394 -232.90645 551.10482
4605.0000 -239.10318 -231.77004 7.33314 2.35329 -231.25430 612.78898
4610.0000 -239.40820 -232.38085 7.02735 2.31471 -232.05746 598.95701
4615.0000 -240.40171 -233.04001 7.36170 2.31843 -231.98006 609.89724
4620.0000 -239.87484 -232.40395 7.47089 2.28373 -232.70255 585.08515
4625.0000 -239.82656 -231.97073 7.85583 2.32867 -231.76692 596.86594
4630.0000 -238.85805 -231.61334 7.24471 2.33926 -231.54638 601.51965
4635.0000 -240.13690 -232.48091 7.65599 2.29113 -232.54851 591.49223
4640.0000 -239.09989 -232.08727 7.01262 2.30056 -232.35212 596.50053
4645.0000 -239.30258 -231.10529 8.19729 2.32441 -231.85569 619.23277
4650.0000 -241.02482 -233.79965 7.22517 2.31841 -231.98055 597.04848
4655.0000 -239.39774 -232.90535 6.49239 2.24917 -233.42200 540.98009
4660.0000 -238.85316 -231.87431 6.97885 2.31792 -231.99065 593.11165
4665.0000 -236.67810 -230.11232 6.56578 2.35542 -231.20988 601.11314
4670.0000 -238.39798 -231.60900 6.78898 2.34431 -231.44120 604.04765
4675.0000 -240.02012 -232.39762 7.62249 2.31640 -232.02229 602.00235
4680.0000 -239.03105 -231.70169 7.32936 2.30522 -232.25514 588.85307
4685.0000 -238.39876 -230.45815 7.94062 2.35378 -231.24408 605.51863
4690.0000 -239.15468 -231.46564 7.68904 2.37659 -230.76913 639.56206
4695.0000 -238.66264 -231.81281 6.84983 2.36731 -230.96248 627.36036
4700.0000 -237.48945 -230.09008 7.39937 2.35890 -231.13749 607.37037
4705.0000 -239.61390 -232.01190 7.60201 2.34163 -231.49715 592.47544
4710.0000 -239.49957 -232.39242 7.10715 2.30442 -232.27170 592.32076
4715.0000 -239.80050 -232.08874 7.71177 2.29546 -232.45843 589.14303
4720.0000 -238.98859 -231.62864 7.35994 2.32501 -231.84306 601.20674
4725.0000 -238.77787 -231.71741 7.06046 2.33312 -231.67417 597.07673
4730.0000 -239.37029 -232.13902 7.23127 2.33925 -231.54655 616.89528
4735.0000 -237.92394 -230.53283 7.39111 2.36993 -230.90785 629.64017
4740.0000 -239.64298 -232.01720 7.62577 2.36085 -231.09690 624.53102
4745.0000 -239.75260 -231.88650 7.86610 2.29246 -232.52082 593.75280
4750.0000 -239.70048 -232.85459 6.84589 2.30062 -232.35088 593.39015
FREEZING PROCESS: loop number 20 T-loop= 592.00000000000000
main_MD> interactions number 20 at Temperature= 592.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46621 -2.89878 0.90510
force_rgl> df(natom) -0.63718 -0.27430 0.03884
4755.0000 -239.18680 -231.26908 7.91772 2.28216 -232.73530 569.45688
4760.0000 -239.87816 -231.90814 7.97001 2.34922 -231.33898 623.42006
4765.0000 -240.20323 -233.09049 7.11274 2.27830 -232.81569 590.78886
4770.0000 -241.32173 -233.25341 8.06831 2.24970 -233.41109 566.75844
4775.0000 -239.48650 -232.35779 7.12871 2.28862 -232.60081 596.75141
4780.0000 -240.63490 -233.06128 7.57362 2.26237 -233.14731 560.94670
4785.0000 -240.32584 -232.92651 7.39933 2.30225 -232.31704 574.46421
4790.0000 -238.63737 -231.03516 7.60222 2.32079 -231.93097 588.74316
4795.0000 -240.13218 -232.30871 7.82347 2.35550 -231.20835 641.10483
4800.0000 -241.35001 -234.64075 6.70927 2.25081 -233.38799 573.51825
4805.0000 -240.85014 -233.13620 7.71393 2.23171 -233.78557 562.49052
4810.0000 -240.70159 -233.53586 7.16573 2.26078 -233.18028 580.22670
4815.0000 -240.48236 -232.41674 8.06562 2.26746 -233.04134 590.57018
4820.0000 -240.13556 -232.72268 7.41288 2.30479 -232.26414 627.82552
4825.0000 -238.89382 -232.15706 6.73676 2.32767 -231.78763 596.61987
4830.0000 -239.11966 -232.20839 6.91126 2.29554 -232.45675 573.39418
4835.0000 -239.21215 -232.16747 7.04468 2.31861 -231.97631 595.75427
4840.0000 -240.58017 -233.74330 6.83686 2.25841 -233.22969 516.60451
4845.0000 -238.99075 -231.66206 7.32869 2.29755 -232.41483 584.95006
4850.0000 -240.28810 -232.79426 7.49384 2.31858 -231.97696 594.34819
4855.0000 -240.65810 -233.81082 6.84728 2.27015 -232.98529 566.00107
4860.0000 -238.99982 -232.61286 6.38696 2.24544 -233.49969 535.15191
4865.0000 -240.09777 -233.63464 6.46313 2.27501 -232.88401 569.14573
4870.0000 -239.12430 -231.58337 7.54093 2.27981 -232.78417 587.48826
4875.0000 -240.19127 -231.74344 8.44784 2.31367 -232.07927 604.68233
4880.0000 -239.20305 -231.08175 8.12130 2.31040 -232.14724 591.38805
4885.0000 -238.80650 -231.99970 6.80680 2.33793 -231.57414 617.29753
4890.0000 -238.79345 -232.06650 6.72695 2.31856 -231.97745 580.60985
4895.0000 -238.81830 -229.80745 9.01084 2.32006 -231.94612 595.66408
4900.0000 -237.84070 -230.26886 7.57183 2.42471 -229.76728 666.05862
4905.0000 -237.97240 -230.88689 7.08551 2.38120 -230.67315 630.95149
4910.0000 -239.84305 -231.67318 8.16986 2.34633 -231.39926 622.71227
4915.0000 -239.17449 -231.71532 7.45917 2.35525 -231.21347 624.56401
4920.0000 -239.44997 -231.47487 7.97510 2.31852 -231.97817 601.76397
4925.0000 -238.23736 -230.46849 7.76887 2.42147 -229.83486 663.24499
4930.0000 -237.59447 -231.18375 6.41071 2.35586 -231.20071 608.98799
4935.0000 -238.89502 -230.93753 7.95750 2.35825 -231.15104 600.49330
4940.0000 -239.45906 -232.72288 6.73618 2.37815 -230.73682 635.92854
4945.0000 -239.23321 -230.79009 8.44312 2.35832 -231.14951 609.64738
4950.0000 -238.22138 -231.90646 6.31493 2.35471 -231.22478 602.71204
4955.0000 -239.17224 -231.71799 7.45425 2.34094 -231.51138 594.17531
4960.0000 -238.44312 -230.65006 7.79306 2.33196 -231.69851 590.07392
4965.0000 -238.49935 -230.74594 7.75341 2.40347 -230.20956 656.49175
4970.0000 -238.23643 -231.09914 7.13729 2.36154 -231.08260 615.03919
4975.0000 -239.18612 -230.53667 8.64945 2.40154 -230.24973 666.97349
4980.0000 -239.02288 -232.23071 6.79217 2.32587 -231.82525 622.15852
4985.0000 -239.16547 -232.21515 6.95032 2.31249 -232.10370 593.02103
4990.0000 -239.92543 -233.04451 6.88093 2.30276 -232.30627 585.85024
4995.0000 -239.84850 -232.96953 6.87897 2.25343 -233.33339 560.47351
5000.0000 -239.87558 -233.20997 6.66561 2.26029 -233.19052 565.96981
FREEZING PROCESS: loop number 21 T-loop= 567.00000000000000
main_MD> interactions number 21 at Temperature= 567.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84215 -2.52888 1.10372
force_rgl> df(natom) -3.70378 -1.18363 -1.14141
5005.0000 -240.42480 -233.86976 6.55504 2.26155 -233.16426 575.15332
5010.0000 -240.76918 -234.12052 6.64866 2.22359 -233.95473 546.75919
5015.0000 -241.37370 -232.85363 8.52008 2.22540 -233.91709 553.21432
5020.0000 -240.21920 -231.79176 8.42744 2.28930 -232.58653 578.02336
5025.0000 -239.84506 -232.95974 6.88532 2.33109 -231.71656 594.93638
5030.0000 -238.99050 -232.86189 6.12860 2.27472 -232.89018 555.57317
5035.0000 -240.02945 -232.31283 7.71662 2.32352 -231.87419 578.64516
5040.0000 -239.02161 -232.22279 6.79881 2.29885 -232.38772 583.95131
5045.0000 -240.69488 -233.72562 6.96926 2.29032 -232.56538 592.10619
5050.0000 -240.86610 -234.09542 6.77068 2.22790 -233.86490 551.58546
5055.0000 -240.44261 -233.16674 7.27587 2.23774 -233.66013 555.88624
5060.0000 -241.17558 -234.58797 6.58761 2.20880 -234.26258 532.44823
5065.0000 -241.37692 -234.88738 6.48954 2.19214 -234.60953 521.91900
5070.0000 -241.82070 -235.06159 6.75912 2.20544 -234.33266 558.75098
5075.0000 -240.82896 -234.39179 6.43718 2.20301 -234.38322 526.21189
5080.0000 -240.53280 -233.90612 6.62668 2.19181 -234.61627 518.57260
5085.0000 -239.07826 -232.52706 6.55120 2.24049 -233.60277 532.50272
5090.0000 -240.45266 -233.82638 6.62628 2.27151 -232.95698 543.67440
5095.0000 -238.91860 -232.06301 6.85559 2.27184 -232.95003 546.08210
5100.0000 -238.57867 -231.05957 7.51911 2.32616 -231.81926 579.22464
5105.0000 -239.22171 -232.44505 6.77666 2.33591 -231.61620 586.05778
5110.0000 -239.85340 -232.41891 7.43449 2.29926 -232.37914 563.16712
5115.0000 -239.47651 -232.49915 6.97736 2.27749 -232.83250 561.67922
5120.0000 -239.68985 -232.24559 7.44426 2.30640 -232.23064 573.24602
5125.0000 -239.52633 -232.01957 7.50676 2.28606 -232.65407 561.71042
5130.0000 -240.03804 -233.36818 6.66986 2.26143 -233.16681 560.48300
5135.0000 -239.71848 -232.58782 7.13066 2.26334 -233.12705 561.83950
5140.0000 -239.28956 -233.12878 6.16078 2.29377 -232.49358 581.90507
5145.0000 -240.73230 -233.16691 7.56539 2.25374 -233.32689 553.96000
5150.0000 -240.94624 -233.96377 6.98247 2.27550 -232.87391 591.75781
5155.0000 -239.95224 -233.84804 6.10421 2.25586 -233.28284 569.26045
5160.0000 -240.08868 -233.08591 7.00277 2.27648 -232.85354 578.37190
5165.0000 -239.80030 -232.57435 7.22595 2.26365 -233.12055 553.85458
5170.0000 -239.93751 -233.38914 6.54838 2.30201 -232.32203 570.69189
5175.0000 -239.60375 -232.65244 6.95131 2.26776 -233.03512 546.11951
5180.0000 -239.56696 -231.94464 7.62232 2.29564 -232.45468 588.78612
5185.0000 -239.07434 -232.96966 6.10468 2.27852 -232.81096 572.28693
5190.0000 -240.44598 -233.31836 7.12762 2.27187 -232.94957 558.89987
5195.0000 -239.65774 -233.81664 5.84109 2.24223 -233.56657 550.88923
5200.0000 -242.12496 -235.40386 6.72109 2.20540 -234.33345 527.65700
5205.0000 -240.65702 -233.28187 7.37515 2.18782 -234.69946 516.35478
5210.0000 -240.44454 -232.49848 7.94605 2.24325 -233.54542 530.66361
5215.0000 -239.60975 -233.38072 6.22903 2.32037 -231.93970 602.30305
5220.0000 -240.05186 -234.11781 5.93405 2.23915 -233.63064 531.59108
5225.0000 -238.34306 -232.09161 6.25144 2.25176 -233.36824 541.46124
5230.0000 -239.45915 -231.90661 7.55255 2.31491 -232.05332 595.74213
5235.0000 -240.16225 -232.57562 7.58663 2.28389 -232.69915 577.56505
5240.0000 -240.93355 -233.27710 7.65644 2.26459 -233.10105 575.52682
5245.0000 -240.63266 -233.46364 7.16902 2.25815 -233.23509 550.88191
5250.0000 -240.65971 -233.28380 7.37591 2.25918 -233.21360 577.06066
FREEZING PROCESS: loop number 22 T-loop= 542.00000000000000
main_MD> interactions number 22 at Temperature= 542.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53334 1.07980 -0.99265
force_rgl> df(natom) -3.95267 -0.98997 -4.18866
5255.0000 -240.48426 -233.50118 6.98308 2.24952 -233.41472 585.16945
5260.0000 -240.55218 -233.97944 6.57274 2.23147 -233.79059 582.17241
5265.0000 -242.48623 -236.57888 5.90735 2.15997 -235.27919 531.67458
5270.0000 -241.76412 -235.00440 6.75972 2.14774 -235.53387 540.73278
5275.0000 -241.90672 -234.99580 6.91091 2.19702 -234.50792 556.71755
5280.0000 -240.56976 -234.34338 6.22638 2.17339 -234.99981 546.17726
5285.0000 -240.77512 -234.94042 5.83470 2.18460 -234.76642 545.36068
5290.0000 -241.68258 -234.50420 7.17838 2.17568 -234.95211 550.95668
5295.0000 -242.92738 -236.50273 6.42465 2.13503 -235.79844 538.71290
5300.0000 -242.54599 -235.34451 7.20147 2.10354 -236.45408 519.83721
5305.0000 -242.21077 -235.55125 6.65952 2.17378 -234.99162 567.35741
5310.0000 -242.24873 -236.27072 5.97801 2.12491 -236.00925 519.54260
5315.0000 -242.30129 -235.78292 6.51837 2.13632 -235.77172 525.09151
5320.0000 -242.36584 -234.99669 7.36915 2.13812 -235.73414 521.32814
5325.0000 -241.01784 -233.88324 7.13459 2.19546 -234.54029 547.24519
5330.0000 -242.28595 -234.17243 8.11352 2.20004 -234.44492 567.50420
5335.0000 -241.17224 -235.03060 6.14164 2.21775 -234.07621 559.52165
5340.0000 -241.58064 -235.09972 6.48092 2.19254 -234.60108 546.74743
5345.0000 -241.59329 -234.88499 6.70830 2.19994 -234.44702 555.00324
5350.0000 -240.81391 -234.17642 6.63749 2.19541 -234.54139 549.63861
5355.0000 -241.25769 -235.59584 5.66185 2.18884 -234.67821 541.17456
5360.0000 -241.36543 -233.66369 7.70174 2.18888 -234.67731 550.19917
5365.0000 -241.65912 -234.58636 7.07276 2.21172 -234.20175 560.99884
5370.0000 -242.66260 -235.90063 6.76198 2.13745 -235.74815 519.50422
5375.0000 -243.33613 -236.38310 6.95303 2.14780 -235.53259 550.97587
5380.0000 -242.86440 -236.18697 6.67743 2.12721 -235.96141 528.99283
5385.0000 -242.26607 -235.41128 6.85479 2.13767 -235.74356 513.76744
5390.0000 -242.14877 -234.90892 7.23984 2.19605 -234.52800 554.24025
5395.0000 -242.20261 -235.53761 6.66500 2.14209 -235.65143 526.82382
5400.0000 -241.30811 -234.17567 7.13245 2.22401 -233.94596 592.83538
5405.0000 -241.41091 -234.88415 6.52676 2.21014 -234.23470 562.73713
5410.0000 -240.94338 -234.12656 6.81682 2.16797 -235.11276 513.30667
5415.0000 -240.28924 -232.85392 7.43532 2.25612 -233.27747 566.42625
5420.0000 -239.50863 -232.53816 6.97047 2.27933 -232.79408 564.75476
5425.0000 -239.89505 -232.90907 6.98598 2.27824 -232.81678 561.09340
5430.0000 -239.73225 -233.72776 6.00449 2.23020 -233.81697 535.46095
5435.0000 -240.96708 -233.76684 7.20024 2.22805 -233.86191 541.77657
5440.0000 -240.58530 -233.99010 6.59520 2.23598 -233.69680 562.51026
5445.0000 -240.87650 -233.51948 7.35703 2.21962 -234.03726 550.36548
5450.0000 -240.61498 -234.07446 6.54052 2.22500 -233.92538 552.25343
5455.0000 -240.88688 -234.58226 6.30461 2.18585 -234.74041 526.20601
5460.0000 -241.32459 -233.86106 7.46353 2.16957 -235.07929 523.81872
5465.0000 -241.73623 -234.44548 7.29074 2.21590 -234.11473 558.44788
5470.0000 -241.33580 -235.42375 5.91205 2.14848 -235.51849 514.93815
5475.0000 -241.66154 -234.17839 7.48315 2.18898 -234.67522 544.52827
5480.0000 -241.34488 -234.31354 7.03134 2.21179 -234.20039 576.45065
5485.0000 -240.48560 -234.04894 6.43666 2.19684 -234.51169 552.99471
5490.0000 -242.68294 -236.19857 6.48438 2.17058 -235.05835 529.07895
5495.0000 -240.76446 -234.49819 6.26626 2.15761 -235.32831 533.62713
5500.0000 -242.29638 -235.40829 6.88809 2.15819 -235.31626 519.18176
FREEZING PROCESS: loop number 23 T-loop= 517.00000000000000
main_MD> interactions number 23 at Temperature= 517.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.13388 -2.59638 -0.20019
force_rgl> df(natom) -1.34907 1.90373 -1.05307
5505.0000 -240.79555 -234.25739 6.53817 2.15313 -235.42167 513.26469
5510.0000 -240.09622 -234.45816 5.63806 2.21121 -234.21246 505.43036
5515.0000 -240.06217 -233.44803 6.61414 2.23812 -233.65213 527.21245
5520.0000 -241.34529 -234.63134 6.71395 2.21235 -234.18879 541.93785
5525.0000 -240.94287 -235.26413 5.67874 2.17589 -234.94779 529.75346
5530.0000 -240.63038 -235.85087 4.77950 2.18566 -234.74443 529.31255
5535.0000 -241.93661 -236.03697 5.89964 2.12490 -236.00944 510.43409
5540.0000 -241.67743 -235.69941 5.97803 2.13812 -235.73411 512.48165
5545.0000 -242.72293 -236.18578 6.53715 2.11076 -236.30379 490.08376
5550.0000 -242.46492 -235.63940 6.82552 2.13246 -235.85200 519.74353
5555.0000 -242.74462 -235.78806 6.95656 2.13135 -235.87502 518.56001
5560.0000 -242.73455 -235.99528 6.73926 2.12852 -235.93404 524.37381
5565.0000 -243.21191 -236.52748 6.68443 2.09721 -236.58583 503.07314
5570.0000 -244.32051 -237.48459 6.83592 2.05882 -237.38528 490.77525
5575.0000 -242.53683 -236.41238 6.12445 2.08964 -236.74347 511.29242
5580.0000 -242.21660 -236.16812 6.04847 2.10272 -236.47123 525.87543
5585.0000 -243.59692 -236.76943 6.82750 2.10301 -236.46513 528.10632
5590.0000 -243.58989 -237.44499 6.14490 2.06076 -237.34482 496.93620
5595.0000 -243.33560 -237.47696 5.85864 2.05412 -237.48308 494.79255
5600.0000 -243.68012 -237.70997 5.97015 2.05507 -237.46331 497.09625
5605.0000 -243.44671 -237.34864 6.09807 2.06723 -237.21015 500.66788
5610.0000 -243.47894 -235.92049 7.55845 2.10505 -236.42273 538.13642
5615.0000 -243.38780 -237.49998 5.88782 2.08714 -236.79562 516.60328
5620.0000 -243.43958 -236.80537 6.63421 2.07787 -236.98862 496.61893
5625.0000 -242.39429 -236.24082 6.15347 2.06555 -237.24507 498.07885
5630.0000 -243.85108 -236.50784 7.34324 2.11886 -236.13509 547.23902
5635.0000 -243.03731 -236.14514 6.89217 2.11889 -236.13458 529.28275
5640.0000 -241.80202 -235.70663 6.09539 2.13794 -235.73795 545.10854
5645.0000 -243.42159 -236.99737 6.42422 2.11944 -236.12306 534.89404
5650.0000 -243.63893 -238.04152 5.59742 2.06700 -237.21489 510.35997
5655.0000 -243.32526 -237.95521 5.37004 2.00240 -238.55984 452.21182
5660.0000 -243.54669 -237.19097 6.35572 2.03973 -237.78268 479.97597
5665.0000 -244.08418 -237.72043 6.36375 2.05473 -237.47037 495.73261
5670.0000 -242.24187 -236.32188 5.91999 2.05208 -237.52558 493.17089
5675.0000 -243.06861 -236.66408 6.40453 2.07894 -236.96628 507.78285
5680.0000 -243.68492 -236.41340 7.27151 2.09884 -236.55189 524.89814
5685.0000 -242.62379 -236.39753 6.22626 2.12093 -236.09200 547.20157
5690.0000 -242.62302 -235.29868 7.32435 2.13529 -235.79301 548.75313
5695.0000 -242.73770 -235.75864 6.97906 2.15001 -235.48663 548.95774
5700.0000 -242.34037 -235.28769 7.05268 2.14869 -235.51413 539.41204
5705.0000 -241.35737 -235.43573 5.92164 2.15662 -235.34893 540.30840
5710.0000 -243.25031 -236.54969 6.70062 2.13117 -235.87894 525.09687
5715.0000 -243.02641 -236.59534 6.43108 2.11205 -236.27693 513.68924
5720.0000 -241.35833 -235.57696 5.78137 2.11837 -236.14543 522.81446
5725.0000 -242.13895 -235.09404 7.04492 2.13507 -235.79763 527.30792
5730.0000 -242.66587 -236.26215 6.40372 2.14072 -235.68013 543.44099
5735.0000 -242.83118 -236.36401 6.46717 2.10731 -236.37564 530.67975
5740.0000 -242.32521 -236.09109 6.23412 2.13234 -235.85451 551.49359
5745.0000 -242.90011 -236.25258 6.64753 2.13946 -235.70626 533.88376
5750.0000 -242.09967 -235.15157 6.94810 2.13549 -235.78885 540.43395
FREEZING PROCESS: loop number 24 T-loop= 492.00000000000000
main_MD> interactions number 24 at Temperature= 492.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84593 0.71617 -1.39416
force_rgl> df(natom) 0.41339 1.10028 -0.83380
5755.0000 -242.28569 -235.46302 6.82267 2.16015 -235.27557 557.71374
5760.0000 -242.42747 -236.67584 5.75162 2.09740 -236.58187 509.85027
5765.0000 -243.42912 -237.55595 5.87317 2.07084 -237.13485 481.66543
5770.0000 -242.50321 -235.78596 6.71725 2.09452 -236.64201 507.99334
5775.0000 -243.16550 -237.31084 5.85466 2.08170 -236.90882 491.43781
5780.0000 -242.04609 -235.63360 6.41249 2.08795 -236.77862 491.46212
5785.0000 -243.10340 -237.25618 5.84721 2.07686 -237.00951 497.04133
5790.0000 -242.95543 -237.78231 5.17311 2.05348 -237.49643 495.12983
5795.0000 -243.36565 -236.76272 6.60293 2.05669 -237.42965 493.33558
5800.0000 -244.90202 -239.09130 5.81072 2.05334 -237.49937 489.12368
5805.0000 -244.26916 -238.81749 5.45167 2.00753 -238.45300 462.11908
5810.0000 -243.60179 -237.46663 6.13516 2.01418 -238.31466 468.97795
5815.0000 -243.66354 -237.49752 6.16602 2.05676 -237.42807 488.59115
5820.0000 -242.83860 -237.19870 5.63990 2.07925 -236.95984 506.04915
5825.0000 -243.01809 -237.36892 5.64917 2.06802 -237.19370 498.63784
5830.0000 -243.47996 -237.29030 6.18966 2.06785 -237.19719 485.64610
5835.0000 -243.12328 -236.79885 6.32442 2.07664 -237.01419 491.27892
5840.0000 -243.06326 -237.10232 5.96094 2.10830 -236.35504 511.22443
5845.0000 -243.20094 -237.42103 5.77991 2.06514 -237.25366 484.32506
5850.0000 -242.59738 -235.57919 7.01819 2.09453 -236.64171 488.59048
5855.0000 -241.85361 -236.33546 5.51814 2.14525 -235.58570 554.87829
5860.0000 -243.90436 -237.26469 6.63967 2.06922 -237.16862 488.07751
5865.0000 -244.12573 -237.90387 6.22186 2.03240 -237.93530 464.59808
5870.0000 -243.62823 -237.90261 5.72562 2.05916 -237.37810 482.67085
5875.0000 -243.23317 -236.50981 6.72336 2.06902 -237.17276 486.85089
5880.0000 -243.37956 -236.45027 6.92929 2.08755 -236.78699 505.82990
5885.0000 -243.29974 -237.05508 6.24466 2.08397 -236.86151 498.23704
5890.0000 -243.22574 -237.29553 5.93021 2.06559 -237.24430 491.07720
5895.0000 -243.69439 -237.77701 5.91738 2.03743 -237.83049 466.18879
5900.0000 -242.18831 -236.47279 5.71552 2.08363 -236.86868 506.10021
5905.0000 -242.38759 -235.53945 6.84813 2.13518 -235.79536 531.46060
5910.0000 -242.98846 -236.70239 6.28607 2.11195 -236.27899 519.54497
5915.0000 -243.16680 -237.87579 5.29101 2.06132 -237.33316 484.56206
5920.0000 -242.35648 -236.89482 5.46166 2.04618 -237.64846 473.34764
5925.0000 -241.95609 -236.29567 5.66041 2.05893 -237.38299 476.96983
5930.0000 -243.01396 -237.26333 5.75063 2.08679 -236.80277 491.77637
5935.0000 -242.86197 -237.19991 5.66206 2.03687 -237.84218 470.96026
5940.0000 -242.91604 -237.25283 5.66322 2.07478 -237.05296 493.28691
5945.0000 -243.99023 -237.34467 6.64555 2.08756 -236.78686 512.88018
5950.0000 -243.58744 -237.92270 5.66474 2.05060 -237.55627 482.95469
5955.0000 -243.02991 -236.92199 6.10792 2.05241 -237.51863 490.84341
5960.0000 -242.85293 -236.46941 6.38352 2.08512 -236.83774 512.45473
5965.0000 -243.28261 -235.41277 7.86984 2.10417 -236.44111 529.98740
5970.0000 -242.93634 -237.04913 5.88721 2.12552 -235.99646 544.22726
5975.0000 -242.96301 -236.90687 6.05613 2.07671 -237.01273 522.10697
5980.0000 -244.63185 -238.69026 5.94158 2.02446 -238.10055 486.46142
5985.0000 -243.44700 -238.03786 5.40914 1.99498 -238.71439 466.54917
5990.0000 -244.18444 -237.96475 6.21969 2.02351 -238.12043 494.27942
5995.0000 -244.70539 -237.93941 6.76598 1.99377 -238.73954 470.04631
6000.0000 -244.67532 -238.66507 6.01025 2.03448 -237.89204 501.26845
FREEZING PROCESS: loop number 25 T-loop= 467.00000000000000
main_MD> interactions number 25 at Temperature= 467.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01602 -0.79298 0.43112
force_rgl> df(natom) 1.02001 0.22876 -0.92493
6005.0000 -244.94730 -238.36107 6.58623 1.99845 -238.64211 468.72004
6010.0000 -243.17049 -237.85424 5.31625 2.01823 -238.23026 488.22413
6015.0000 -244.51752 -238.08137 6.43615 2.01950 -238.20377 483.78268
6020.0000 -243.83755 -238.28780 5.54975 2.01257 -238.34817 473.46510
6025.0000 -243.57058 -238.83167 4.73891 1.99463 -238.72163 462.08537
6030.0000 -244.00046 -238.09564 5.90482 1.99533 -238.70707 470.54583
6035.0000 -244.72667 -239.43990 5.28678 2.01947 -238.20448 487.42024
6040.0000 -244.40452 -238.57753 5.82699 1.98978 -238.82252 458.74705
6045.0000 -245.08767 -239.78103 5.30664 1.98268 -238.97049 460.74417
6050.0000 -245.13854 -239.34832 5.79022 1.97202 -239.19234 449.53922
6055.0000 -244.38769 -239.56547 4.82221 1.95827 -239.47863 441.26505
6060.0000 -244.24152 -237.91998 6.32154 1.96853 -239.26508 452.47326
6065.0000 -245.04541 -239.32028 5.72513 1.98685 -238.88355 461.18140
6070.0000 -244.83108 -239.18656 5.64453 1.99303 -238.75500 465.63919
6075.0000 -243.87669 -238.67643 5.20026 1.97293 -239.17337 450.78741
6080.0000 -244.28741 -238.40254 5.88486 2.01932 -238.20764 485.01079
6085.0000 -243.92469 -238.61961 5.30508 2.00273 -238.55305 472.55061
6090.0000 -243.74206 -237.61740 6.12466 2.02722 -238.04317 488.74045
6095.0000 -244.71938 -239.06747 5.65191 2.00582 -238.48871 475.60723
6100.0000 -246.05039 -240.50803 5.54235 1.94279 -239.80093 432.89806
6105.0000 -244.48078 -238.64949 5.83129 1.95048 -239.64091 435.41424
6110.0000 -244.42322 -238.27870 6.14452 1.99472 -238.71972 468.18078
6115.0000 -243.49581 -237.67649 5.81932 2.01743 -238.24703 479.32139
6120.0000 -243.58738 -238.12427 5.46311 2.02219 -238.14782 476.06347
6125.0000 -246.07177 -241.04123 5.03054 1.92010 -240.27337 411.29006
6130.0000 -244.78410 -239.72006 5.06404 1.92776 -240.11398 419.06266
6135.0000 -243.13919 -237.59893 5.54026 2.02057 -238.18148 482.41507
6140.0000 -243.62070 -237.26124 6.35946 2.06887 -237.17606 509.84968
6145.0000 -244.24030 -238.30824 5.93206 2.04589 -237.65442 496.33189
6150.0000 -243.54026 -237.62189 5.91837 2.02398 -238.11064 474.43886
6155.0000 -243.44337 -238.33773 5.10564 2.05133 -237.54114 499.36748
6160.0000 -243.56753 -238.70634 4.86119 1.98752 -238.86963 461.36954
6165.0000 -244.45569 -237.76115 6.69454 2.02874 -238.01157 489.73438
6170.0000 -243.86850 -238.16072 5.70778 2.04034 -237.76994 503.18063
6175.0000 -244.77324 -237.80532 6.96792 2.03925 -237.79266 497.90205
6180.0000 -244.49591 -238.49549 6.00041 2.02329 -238.12486 490.75976
6185.0000 -244.79840 -238.76067 6.03772 2.00744 -238.45501 475.09160
6190.0000 -244.88766 -239.03475 5.85290 1.99889 -238.63297 469.65837
6195.0000 -244.58130 -239.62091 4.96040 1.98179 -238.98896 457.09886
6200.0000 -245.18988 -239.96582 5.22406 1.96174 -239.40647 441.09667
6205.0000 -244.53144 -238.22638 6.30506 1.98542 -238.91343 458.90526
6210.0000 -244.35967 -238.61334 5.74633 2.01434 -238.31135 479.67820
6215.0000 -243.94715 -238.15773 5.78942 2.02019 -238.18942 481.12510
6220.0000 -243.70720 -237.18096 6.52625 2.04118 -237.75243 501.31436
6225.0000 -244.32477 -238.65482 5.66994 2.05496 -237.46552 501.63403
6230.0000 -243.28376 -237.88767 5.39608 2.03564 -237.86771 499.57505
6235.0000 -244.36423 -238.29229 6.07194 1.98723 -238.87565 459.75946
6240.0000 -244.29819 -238.96299 5.33520 2.03032 -237.97861 491.69166
6245.0000 -244.73361 -239.62351 5.11009 1.97696 -239.08956 451.18983
6250.0000 -244.66890 -239.53136 5.13754 1.94688 -239.71586 430.80580
FREEZING PROCESS: loop number 26 T-loop= 442.00000000000000
main_MD> interactions number 26 at Temperature= 442.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35939 2.74865 0.78933
force_rgl> df(natom) 1.37286 3.45710 -0.82851
6255.0000 -245.53823 -239.76196 5.77627 1.96218 -239.39720 441.58602
6260.0000 -244.80984 -240.09020 4.71964 1.94258 -239.80528 429.92543
6265.0000 -245.17415 -238.95052 6.22362 1.96590 -239.31981 447.01621
6270.0000 -245.93222 -240.10284 5.82938 1.94561 -239.74216 431.96355
6275.0000 -245.17277 -239.46175 5.71102 1.92468 -240.17800 415.04723
6280.0000 -244.36041 -239.36037 5.00004 1.97708 -239.08698 457.94159
6285.0000 -245.69738 -239.95030 5.74707 1.92199 -240.23399 415.25755
6290.0000 -245.07134 -239.86366 5.20769 1.93876 -239.88494 429.36147
6295.0000 -245.49708 -240.03516 5.46192 1.92938 -240.08008 418.42226
6300.0000 -245.69930 -240.24212 5.45718 1.90818 -240.52156 401.64293
6305.0000 -244.25185 -239.04721 5.20464 1.95929 -239.45752 438.30194
6310.0000 -244.27312 -239.63866 4.63446 1.97547 -239.12056 451.48447
6315.0000 -244.04663 -238.81987 5.22677 1.97383 -239.15460 451.18332
6320.0000 -244.15489 -238.53048 5.62441 1.99670 -238.67857 472.60581
6325.0000 -243.39555 -238.57094 4.82461 1.98531 -238.91577 455.78915
6330.0000 -244.75382 -239.56045 5.19337 2.00371 -238.53256 472.50149
6335.0000 -245.01080 -239.21423 5.79657 1.96580 -239.32186 448.99457
6340.0000 -245.52109 -239.99255 5.52854 1.97053 -239.22334 450.34801
6345.0000 -245.13695 -240.37373 4.76323 1.92131 -240.24815 417.49601
6350.0000 -244.68238 -239.62115 5.06124 1.95291 -239.59022 438.49057
6355.0000 -245.33400 -240.07582 5.25818 1.91737 -240.33015 412.13692
6360.0000 -245.21130 -239.76585 5.44545 1.93743 -239.91252 425.45291
6365.0000 -245.08223 -240.61232 4.46991 1.93386 -239.98680 424.53545
6370.0000 -245.77253 -240.99222 4.78031 1.89090 -240.88133 391.67157
6375.0000 -244.28810 -239.33056 4.95754 1.91641 -240.35013 407.36163
6380.0000 -244.74042 -239.02362 5.71680 1.98139 -238.99737 456.49592
6385.0000 -244.83605 -239.52451 5.31154 1.97987 -239.02892 456.44839
6390.0000 -244.50127 -238.72233 5.77894 1.97702 -239.08834 449.16980
6395.0000 -244.55001 -239.25290 5.29711 1.97551 -239.11973 452.81748
6400.0000 -245.53343 -240.06796 5.46547 1.93434 -239.97694 422.99662
6405.0000 -245.84271 -240.39616 5.44655 1.92631 -240.14408 420.29414
6410.0000 -244.71765 -238.67453 6.04312 1.94393 -239.77730 433.26945
6415.0000 -245.28022 -239.45169 5.82854 2.00581 -238.48895 476.88124
6420.0000 -245.21954 -239.98201 5.23753 1.95091 -239.63198 438.20763
6425.0000 -245.17182 -239.59515 5.57667 1.93911 -239.87752 425.07050
6430.0000 -244.95539 -240.15112 4.80428 1.94397 -239.77631 431.59005
6435.0000 -245.97807 -240.37323 5.60484 1.93421 -239.97962 423.09828
6440.0000 -244.87223 -239.48514 5.38709 1.92701 -240.12953 418.18736
6445.0000 -244.75755 -238.46352 6.29403 2.00226 -238.56287 476.38977
6450.0000 -245.74050 -240.60274 5.13776 1.96275 -239.38540 442.57244
6455.0000 -244.20919 -238.64580 5.56340 1.95529 -239.54081 443.09808
6460.0000 -244.81606 -238.21490 6.60116 1.98712 -238.87808 464.46239
6465.0000 -245.51237 -240.37872 5.13366 1.94916 -239.66830 433.65064
6470.0000 -245.59250 -240.00399 5.58850 1.92689 -240.13199 419.74182
6475.0000 -245.01670 -239.92502 5.09169 1.95865 -239.47070 444.30069
6480.0000 -245.31685 -239.80558 5.51127 1.93792 -239.90238 424.88036
6485.0000 -244.31012 -238.86569 5.44443 1.98506 -238.92091 465.21935
6490.0000 -244.84459 -238.84755 5.99704 1.95250 -239.59872 438.82745
6495.0000 -244.21612 -238.99117 5.22495 1.97303 -239.17140 456.70848
6500.0000 -245.25597 -239.65019 5.60578 1.95321 -239.58411 440.53351
FREEZING PROCESS: loop number 27 T-loop= 417.00000000000000
main_MD> interactions number 27 at Temperature= 417.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.79461 2.03129 -0.64454
force_rgl> df(natom) -0.23936 1.03999 -2.89255
6505.0000 -244.91808 -239.88951 5.02857 1.94812 -239.69000 433.33559
6510.0000 -245.55075 -241.40893 4.14182 1.90710 -240.54405 402.59682
6515.0000 -245.01925 -240.45367 4.56559 1.88286 -241.04863 383.49458
6520.0000 -245.05392 -239.34261 5.71131 1.94642 -239.72529 434.33580
6525.0000 -244.69725 -239.81768 4.87957 1.95883 -239.46705 443.53045
6530.0000 -244.59279 -239.73775 4.85505 1.96118 -239.41806 441.93989
6535.0000 -245.63934 -240.75542 4.88392 1.90457 -240.59668 403.07083
6540.0000 -244.95676 -240.23865 4.71811 1.90206 -240.64888 397.31165
6545.0000 -245.05963 -239.92703 5.13260 1.93431 -239.97752 424.23531
6550.0000 -245.23454 -240.29515 4.93939 1.92447 -240.18246 414.06293
6555.0000 -244.70067 -239.66553 5.03514 1.93470 -239.96930 418.82765
6560.0000 -244.77720 -238.73536 6.04184 1.98830 -238.85353 465.81508
6565.0000 -244.75850 -239.76497 4.99353 1.96630 -239.31156 444.05830
6570.0000 -245.60941 -240.56212 5.04729 1.92436 -240.18462 413.32492
6575.0000 -244.87961 -239.94777 4.93184 1.92368 -240.19887 413.91326
6580.0000 -245.72727 -239.49957 6.22771 1.94849 -239.68234 435.69138
6585.0000 -244.96739 -239.61655 5.35084 1.92827 -240.10330 417.00273
6590.0000 -245.63058 -241.00101 4.62957 1.90541 -240.57922 400.10632
6595.0000 -245.13718 -240.89256 4.24462 1.90133 -240.66413 395.52762
6600.0000 -244.76180 -240.24840 4.51340 1.89430 -240.81050 392.83241
6605.0000 -245.76183 -240.06810 5.69373 1.92691 -240.13167 416.52681
6610.0000 -245.31551 -240.58801 4.72750 1.90666 -240.55310 398.35072
6615.0000 -244.59685 -239.14906 5.44779 1.91893 -240.29775 408.44083
6620.0000 -244.26876 -238.84235 5.42641 1.99116 -238.79392 462.77177
6625.0000 -243.82434 -238.78451 5.03982 1.97678 -239.09321 452.40230
6630.0000 -245.35176 -240.47457 4.87719 1.93381 -239.98795 420.50441
6635.0000 -244.49613 -238.42765 6.06848 1.97578 -239.11420 454.87148
6640.0000 -244.55811 -238.76137 5.79674 1.98930 -238.83258 459.60207
6645.0000 -244.40372 -238.62401 5.77971 1.98509 -238.92023 458.61649
6650.0000 -244.73093 -240.00252 4.72841 1.98087 -239.00811 453.90950
6655.0000 -245.23447 -239.81208 5.42239 1.98206 -238.98333 444.85240
6660.0000 -244.46527 -239.46018 5.00508 1.94355 -239.78504 419.70741
6665.0000 -245.22326 -239.00386 6.21940 1.96375 -239.36456 440.73615
6670.0000 -244.37155 -239.18674 5.18481 1.96740 -239.28855 446.80732
6675.0000 -245.27727 -240.47813 4.79914 1.91608 -240.35706 406.77502
6680.0000 -245.18425 -239.70234 5.48190 1.94120 -239.83406 429.55024
6685.0000 -245.64309 -240.56661 5.07647 1.94099 -239.83840 431.23746
6690.0000 -244.53608 -239.19551 5.34058 1.89990 -240.69394 398.97797
6695.0000 -244.88400 -239.37499 5.50901 1.95595 -239.52692 440.74369
6700.0000 -245.96328 -241.00238 4.96091 1.92834 -240.10188 420.39002
6705.0000 -245.65127 -240.76664 4.88463 1.88720 -240.95845 387.31389
6710.0000 -245.94210 -241.00459 4.93751 1.87598 -241.19204 380.55244
6715.0000 -245.08257 -240.30289 4.77969 1.89983 -240.69529 397.62687
6720.0000 -245.00374 -239.60302 5.40072 1.90704 -240.54522 401.79296
6725.0000 -244.48639 -239.26023 5.22615 1.95165 -239.61655 436.92013
6730.0000 -245.23642 -240.70546 4.53096 1.93038 -240.05927 419.14878
6735.0000 -245.46091 -240.48773 4.97319 1.90795 -240.52623 400.87560
6740.0000 -244.76969 -240.47845 4.29124 1.91387 -240.40305 406.57120
6745.0000 -245.15013 -239.73543 5.41470 1.91722 -240.33332 409.65185
6750.0000 -244.65805 -239.29159 5.36646 1.96019 -239.43876 442.80686
FREEZING PROCESS: loop number 28 T-loop= 392.00000000000000
main_MD> interactions number 28 at Temperature= 392.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63157 -0.17862 0.92032
force_rgl> df(natom) -0.17739 2.40242 1.88568
6755.0000 -243.99595 -238.73240 5.26355 1.97635 -239.10227 455.32259
6760.0000 -245.30611 -240.01950 5.28661 1.96662 -239.30478 444.02109
6765.0000 -245.53722 -240.53584 5.00138 1.90755 -240.53460 405.85073
6770.0000 -245.17707 -240.32171 4.85535 1.89930 -240.70649 397.31896
6775.0000 -246.10392 -241.38603 4.71789 1.90021 -240.68752 397.01090
6780.0000 -246.24295 -241.38344 4.85951 1.85281 -241.67436 362.30067
6785.0000 -245.87302 -241.51749 4.35553 1.85619 -241.60401 363.55574
6790.0000 -245.81200 -241.15825 4.65375 1.87443 -241.22418 378.60285
6795.0000 -245.12837 -240.77887 4.34950 1.88262 -241.05378 383.43977
6800.0000 -245.78410 -240.60240 5.18169 1.89750 -240.74388 395.20857
6805.0000 -244.94577 -240.08475 4.86102 1.91379 -240.40471 404.91183
6810.0000 -245.03480 -240.74007 4.29473 1.91330 -240.41492 407.04122
6815.0000 -245.30962 -240.80324 4.50638 1.91914 -240.29333 414.93418
6820.0000 -245.06372 -240.42987 4.63385 1.90238 -240.64222 401.32257
6825.0000 -245.51468 -239.75336 5.76132 1.94643 -239.72517 436.91662
6830.0000 -245.95959 -241.70332 4.25627 1.88716 -240.95922 388.64550
6835.0000 -246.02330 -240.98405 5.03925 1.87440 -241.22482 378.16061
6840.0000 -245.96833 -240.99578 4.97255 1.88108 -241.08570 380.63301
6845.0000 -245.02962 -240.33845 4.69117 1.89654 -240.76386 392.71069
6850.0000 -245.13391 -240.46126 4.67265 1.91178 -240.44664 407.95876
6855.0000 -246.19069 -241.84166 4.34903 1.88388 -241.02745 380.76165
6860.0000 -245.61438 -241.28266 4.33172 1.84799 -241.77467 357.15343
6865.0000 -245.87660 -241.01781 4.85878 1.87212 -241.27227 377.81600
6870.0000 -245.96762 -240.83806 5.12956 1.89190 -240.86051 392.42102
6875.0000 -245.63350 -240.56572 5.06778 1.91036 -240.47618 402.79794
6880.0000 -245.68401 -240.44944 5.23456 1.91352 -240.41027 407.58839
6885.0000 -245.32192 -240.55664 4.76528 1.89878 -240.71716 395.51920
6890.0000 -245.49942 -240.78839 4.71103 1.91629 -240.35278 405.15695
6895.0000 -245.73375 -240.99603 4.73772 1.90308 -240.62774 396.63874
6900.0000 -246.04664 -240.97144 5.07520 1.90747 -240.53632 403.79367
6905.0000 -245.53969 -241.16104 4.37865 1.88151 -241.07671 382.48834
6910.0000 -245.73294 -241.18513 4.54781 1.86639 -241.39161 370.99885
6915.0000 -245.31118 -240.97987 4.33131 1.87757 -241.15876 381.28852
6920.0000 -246.43803 -241.98987 4.44816 1.85720 -241.58288 365.68633
6925.0000 -246.01198 -241.45408 4.55791 1.83880 -241.96598 350.91098
6930.0000 -245.67664 -240.69164 4.98500 1.87463 -241.22008 380.15302
6935.0000 -246.41891 -241.78988 4.62903 1.85652 -241.59700 363.75311
6940.0000 -245.56128 -240.71553 4.84575 1.87199 -241.27492 373.98444
6945.0000 -244.36883 -239.90961 4.45922 1.92093 -240.25604 413.46889
6950.0000 -244.70638 -240.23654 4.46984 1.93314 -240.00184 424.23676
6955.0000 -245.79353 -240.81133 4.98220 1.91542 -240.37083 411.92179
6960.0000 -244.97504 -240.05444 4.92059 1.91513 -240.37676 408.80185
6965.0000 -245.36587 -240.25457 5.11130 1.94797 -239.69319 432.85489
6970.0000 -245.79176 -240.07415 5.71761 1.90507 -240.58624 404.03894
6975.0000 -245.11150 -240.38059 4.73091 1.92256 -240.22221 414.75962
6980.0000 -245.72793 -240.71459 5.01334 1.91251 -240.43143 407.45062
6985.0000 -245.64789 -241.08346 4.56443 1.89049 -240.88987 391.61191
6990.0000 -246.15547 -241.53512 4.62035 1.87846 -241.14033 381.81541
6995.0000 -245.61824 -240.24752 5.37072 1.90416 -240.60530 404.24374
7000.0000 -245.60821 -241.08203 4.52618 1.90676 -240.55104 393.41622
FREEZING PROCESS: loop number 29 T-loop= 367.00000000000000
main_MD> interactions number 29 at Temperature= 367.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72114 2.69194 0.37048
force_rgl> df(natom) 0.62848 -0.04235 -1.20752
7005.0000 -246.25858 -241.39342 4.86517 1.87233 -241.26786 371.95658
7010.0000 -246.11724 -241.80309 4.31415 1.84265 -241.88582 352.88635
7015.0000 -245.66046 -242.02321 3.63725 1.85082 -241.71580 361.84327
7020.0000 -246.40503 -241.82627 4.57876 1.85080 -241.71612 361.54025
7025.0000 -245.25932 -241.23180 4.02753 1.85742 -241.57837 365.10634
7030.0000 -246.00407 -241.72025 4.28382 1.86250 -241.47256 364.33122
7035.0000 -246.36053 -241.85959 4.50094 1.83811 -241.98048 349.92813
7040.0000 -246.25936 -241.48717 4.77219 1.85106 -241.71082 359.19170
7045.0000 -246.36244 -242.15102 4.21142 1.83614 -242.02140 347.67939
7050.0000 -245.89983 -241.16917 4.73066 1.86605 -241.39869 370.34736
7055.0000 -246.01756 -241.49343 4.52412 1.88783 -240.94518 386.56139
7060.0000 -246.00491 -241.47704 4.52788 1.86464 -241.42794 368.10207
7065.0000 -245.85597 -241.49138 4.36459 1.87053 -241.30551 372.68327
7070.0000 -245.47646 -241.24751 4.22894 1.85953 -241.53447 367.83637
7075.0000 -245.74496 -241.31987 4.42509 1.86695 -241.37989 372.20566
7080.0000 -245.59489 -241.19607 4.39882 1.88971 -240.90617 388.58622
7085.0000 -246.45668 -242.24200 4.21468 1.83516 -242.04176 347.09981
7090.0000 -245.68441 -241.29436 4.39004 1.82995 -242.15024 342.41640
7095.0000 -245.24526 -240.77463 4.47064 1.88235 -241.05941 381.82917
7100.0000 -245.93243 -241.37191 4.56052 1.88848 -240.93163 387.52693
7105.0000 -245.86252 -241.46965 4.39287 1.86422 -241.43682 368.76162
7110.0000 -246.15463 -241.33306 4.82158 1.88751 -240.95190 387.20119
7115.0000 -245.97746 -241.32042 4.65704 1.85380 -241.65363 362.29813
7120.0000 -246.61369 -240.93189 5.68179 1.86754 -241.36767 371.71320
7125.0000 -246.32365 -241.08532 5.23833 1.86498 -241.42087 366.19198
7130.0000 -245.85977 -241.66301 4.19677 1.85860 -241.55389 364.53546
7135.0000 -245.77396 -241.20397 4.56999 1.86407 -241.43988 369.03723
7140.0000 -246.17402 -241.68142 4.49260 1.86597 -241.40039 371.22366
7145.0000 -245.84384 -241.69131 4.15253 1.86255 -241.47148 368.85293
7150.0000 -246.63343 -241.53732 5.09611 1.86676 -241.38382 373.16803
7155.0000 -246.48113 -241.84469 4.63644 1.85731 -241.58068 364.44612
7160.0000 -246.33440 -241.83917 4.49523 1.85353 -241.65946 360.58777
7165.0000 -246.53524 -241.48748 5.04776 1.85203 -241.69064 361.77731
7170.0000 -246.10820 -241.96186 4.14634 1.85364 -241.65702 362.36076
7175.0000 -245.38733 -240.90692 4.48042 1.87401 -241.23302 376.25951
7180.0000 -245.60955 -241.11366 4.49588 1.89732 -240.74765 396.12270
7185.0000 -245.45730 -241.17101 4.28628 1.88776 -240.94666 387.39817
7190.0000 -245.46197 -241.37537 4.08661 1.86294 -241.46339 367.77893
7195.0000 -245.55680 -240.81954 4.73725 1.88557 -240.99219 385.69090
7200.0000 -245.93814 -240.90794 5.03021 1.87141 -241.28714 375.35285
7205.0000 -245.51887 -240.93737 4.58149 1.87664 -241.17815 379.48950
7210.0000 -244.93193 -240.65950 4.27243 1.89181 -240.86241 385.37549
7215.0000 -245.62582 -240.59736 5.02846 1.91554 -240.36838 407.14272
7220.0000 -246.00790 -241.24221 4.76569 1.87484 -241.21571 377.33896
7225.0000 -245.76617 -241.15887 4.60729 1.88572 -240.98926 387.27795
7230.0000 -246.45232 -241.21214 5.24018 1.87116 -241.29223 370.04217
7235.0000 -246.47890 -241.77383 4.70507 1.86249 -241.47282 369.57622
7240.0000 -245.76367 -241.37226 4.39141 1.86032 -241.51789 365.96389
7245.0000 -245.61095 -241.21644 4.39452 1.86283 -241.46567 371.58014
7250.0000 -245.88878 -241.32554 4.56324 1.88069 -241.09381 379.30063
FREEZING PROCESS: loop number 30 T-loop= 342.00000000000000
main_MD> interactions number 30 at Temperature= 342.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.00243 -0.61432 -4.52891
force_rgl> df(natom) 1.33086 -1.73962 1.35860
7255.0000 -245.67801 -241.56086 4.11715 1.86740 -241.37068 368.28605
7260.0000 -245.72624 -240.98207 4.74417 1.85873 -241.55108 362.49523
7265.0000 -246.25044 -241.04532 5.20512 1.87750 -241.16020 375.70685
7270.0000 -246.72631 -241.82206 4.90425 1.85850 -241.55592 364.73756
7275.0000 -246.18634 -241.37000 4.81634 1.85865 -241.55280 360.85988
7280.0000 -246.43429 -241.43537 4.99892 1.86754 -241.36759 369.10700
7285.0000 -246.20775 -242.11751 4.09024 1.84541 -241.82844 352.80900
7290.0000 -246.63965 -242.60102 4.03863 1.82946 -242.16043 343.32918
7295.0000 -246.46670 -241.88777 4.57893 1.82726 -242.20632 339.26321
7300.0000 -246.76545 -243.17396 3.59149 1.80332 -242.70479 320.80099
7305.0000 -246.27277 -241.78050 4.49227 1.81340 -242.49486 330.66379
7310.0000 -246.50827 -242.36955 4.13872 1.82923 -242.16525 341.03419
7315.0000 -246.76606 -242.33229 4.43377 1.80981 -242.56959 327.58248
7320.0000 -246.71514 -242.46353 4.25161 1.82282 -242.29864 340.85210
7325.0000 -246.23015 -241.68345 4.54670 1.82502 -242.25304 341.51056
7330.0000 -246.57827 -242.45852 4.11975 1.81987 -242.36022 334.49575
7335.0000 -246.85188 -242.12317 4.72872 1.81954 -242.36701 336.44058
7340.0000 -246.57012 -242.22494 4.34518 1.82611 -242.23022 339.26978
7345.0000 -245.97912 -242.02150 3.95762 1.83163 -242.11526 343.79919
7350.0000 -246.14123 -241.60824 4.53299 1.83368 -242.07264 345.36547
7355.0000 -246.11015 -241.22344 4.88671 1.83781 -241.98672 349.46065
7360.0000 -246.29092 -242.20549 4.08543 1.83969 -241.94756 350.43874
7365.0000 -246.43555 -242.26625 4.16930 1.82203 -242.31528 336.60138
7370.0000 -246.56279 -242.32437 4.23842 1.81889 -242.38057 332.25335
7375.0000 -246.85768 -242.60359 4.25410 1.83239 -242.09952 345.26447
7380.0000 -246.72220 -242.27579 4.44641 1.80915 -242.58339 327.06735
7385.0000 -247.19352 -243.01776 4.17576 1.80634 -242.64177 323.73190
7390.0000 -246.22370 -242.17981 4.04389 1.79710 -242.83425 316.39772
7395.0000 -246.03269 -241.61696 4.41573 1.83049 -242.13911 343.77840
7400.0000 -246.08144 -241.78170 4.29974 1.84100 -241.92018 353.16352
7405.0000 -246.46866 -242.18564 4.28302 1.81580 -242.44490 329.73645
7410.0000 -246.67958 -242.71987 3.95971 1.85546 -241.61925 362.02588
7415.0000 -246.44661 -241.92760 4.51902 1.81108 -242.54310 328.26248
7420.0000 -246.87670 -242.65282 4.22387 1.83682 -242.00732 348.66277
7425.0000 -246.13543 -241.98766 4.14777 1.82315 -242.29182 335.14014
7430.0000 -246.42619 -241.70115 4.72504 1.85382 -241.65335 359.68053
7435.0000 -245.73925 -241.90694 3.83231 1.84003 -241.94052 349.03794
7440.0000 -246.03848 -242.21834 3.82014 1.82643 -242.22350 338.16049
7445.0000 -246.39597 -242.14345 4.25253 1.82053 -242.34632 335.33119
7450.0000 -245.58683 -241.41430 4.17252 1.83919 -241.95798 348.94980
7455.0000 -246.08146 -241.53738 4.54408 1.83594 -242.02555 347.08824
7460.0000 -245.69977 -242.26212 3.43764 1.83961 -241.94908 346.03793
7465.0000 -246.48215 -242.41378 4.06837 1.83146 -242.11896 343.64479
7470.0000 -246.81090 -242.59453 4.21636 1.81422 -242.47771 328.86896
7475.0000 -246.97312 -243.31495 3.65818 1.79591 -242.85895 314.41165
7480.0000 -246.47131 -242.46332 4.00798 1.80321 -242.70693 321.38098
7485.0000 -246.39271 -241.85368 4.53903 1.83254 -242.09638 343.24721
7490.0000 -246.71598 -242.25531 4.46067 1.82533 -242.24647 338.57845
7495.0000 -246.26511 -241.80941 4.45570 1.82864 -242.17757 342.08627
7500.0000 -246.72417 -242.66442 4.05974 1.83380 -242.07009 344.46156
FREEZING PROCESS: loop number 31 T-loop= 317.00000000000000
main_MD> interactions number 31 at Temperature= 317.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08579 -0.56501 -0.76830
force_rgl> df(natom) -0.16379 -1.80469 0.38718
7505.0000 -246.97514 -242.77483 4.20031 1.79665 -242.84359 317.23012
7510.0000 -247.11562 -243.32701 3.78861 1.79053 -242.97093 311.76762
7515.0000 -246.61794 -242.81609 3.80185 1.77713 -243.25009 300.86102
7520.0000 -246.29917 -242.42609 3.87308 1.82518 -242.24970 339.08593
7525.0000 -246.28425 -242.69875 3.58550 1.79911 -242.79246 318.16367
7530.0000 -246.73065 -242.72091 4.00974 1.80000 -242.77389 318.95570
7535.0000 -246.88301 -242.76159 4.12141 1.78852 -243.01292 310.65071
7540.0000 -247.03555 -242.87592 4.15963 1.80891 -242.58838 324.94419
7545.0000 -246.21495 -242.34671 3.86824 1.82512 -242.25087 337.12767
7550.0000 -246.50348 -242.10195 4.40153 1.81668 -242.42668 330.74479
7555.0000 -246.59491 -242.18376 4.41116 1.84337 -241.87080 354.23527
7560.0000 -246.66647 -242.10981 4.55666 1.81214 -242.52117 327.01072
7565.0000 -246.89730 -242.70819 4.18911 1.80451 -242.67990 323.24065
7570.0000 -246.78619 -242.25686 4.52933 1.83224 -242.10260 344.32098
7575.0000 -246.76907 -242.61370 4.15537 1.79469 -242.88443 314.01235
7580.0000 -247.03381 -243.38312 3.65069 1.77618 -243.26984 299.89949
7585.0000 -245.94575 -242.08995 3.85581 1.82396 -242.27496 335.22754
7590.0000 -247.06794 -243.30379 3.76415 1.79403 -242.89823 313.23189
7595.0000 -247.08931 -243.77935 3.30996 1.76056 -243.59500 287.09650
7600.0000 -245.97820 -242.33628 3.64192 1.79050 -242.97173 311.86754
7605.0000 -246.90715 -242.52658 4.38057 1.81739 -242.41182 332.91836
7610.0000 -247.01127 -243.42361 3.58766 1.78575 -243.07053 310.74354
7615.0000 -246.77133 -243.07453 3.69679 1.76040 -243.59839 288.93231
7620.0000 -246.61506 -243.02441 3.59065 1.77924 -243.20603 303.78678
7625.0000 -246.67677 -242.93600 3.74077 1.79870 -242.80082 316.94694
7630.0000 -246.45595 -242.34479 4.11116 1.81431 -242.47588 331.33746
7635.0000 -246.49539 -243.52391 2.97148 1.81038 -242.55780 329.67103
7640.0000 -246.56215 -242.64616 3.91598 1.78891 -243.00465 314.15960
7645.0000 -247.10018 -243.06830 4.03189 1.78705 -243.04345 311.45667
7650.0000 -246.30945 -241.70756 4.60189 1.81192 -242.52560 331.45573
7655.0000 -245.59598 -241.34174 4.25424 1.87772 -241.15573 377.80757
7660.0000 -245.42876 -241.74571 3.68306 1.84613 -241.81343 352.51552
7665.0000 -246.62063 -242.17844 4.44220 1.82474 -242.25869 337.07881
7670.0000 -246.52390 -242.87028 3.65362 1.79547 -242.86822 315.54499
7675.0000 -247.54906 -243.76764 3.78141 1.79723 -242.83159 317.59122
7680.0000 -246.28620 -242.78233 3.50386 1.77423 -243.31041 296.81375
7685.0000 -246.81223 -243.57745 3.23478 1.78303 -243.12718 306.93048
7690.0000 -246.88783 -243.86656 3.02128 1.75619 -243.68608 286.67776
7695.0000 -246.60600 -242.45944 4.14656 1.77147 -243.36788 294.51631
7700.0000 -246.84388 -242.71729 4.12660 1.79874 -242.80007 317.28346
7705.0000 -246.14167 -242.26597 3.87570 1.79878 -242.79931 319.96520
7710.0000 -245.89517 -242.06183 3.83334 1.83400 -242.06599 348.11137
7715.0000 -246.96444 -242.88741 4.07703 1.81216 -242.52066 328.63227
7720.0000 -246.73726 -243.16688 3.57039 1.79778 -242.81998 318.16714
7725.0000 -246.45023 -242.86859 3.58165 1.79409 -242.89687 314.69828
7730.0000 -246.79863 -242.68522 4.11342 1.79507 -242.87652 316.61022
7735.0000 -246.51094 -243.09636 3.41458 1.78570 -243.07165 309.64062
7740.0000 -246.68452 -242.37976 4.30475 1.81733 -242.41297 331.22754
7745.0000 -246.29648 -242.55349 3.74300 1.80829 -242.60125 326.42083
7750.0000 -247.13685 -243.40858 3.72827 1.79024 -242.97713 312.67352
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 18.9600340 [s].
main_MD> Deallocating global variables
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