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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_92/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_92.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 = 92 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 92 9200
main_MD> Size of nv and nvoiz: 92 9200
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 = 92
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> 4.5521001601827968E-002 -9.5785066514746681E-003 6.9168665082646644E-002 initial drift of cluster / NP1 for coalescence
init> 0.30176841180476915 0.31676708408248239 0.30192036240204595 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5689770256610428E-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) -8.14974 4.96854 -0.32789
force_rgl> df(natom) -1.70244 1.05366 -2.67688
preparo> THERMALIZATION PROCESS AT 1098.2702936724900
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -209.95204117715696 12.648060728956418 -222.60010190611337 6.3570976511257565E-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 32
FREEZING PROCESS: loop number 1 T-loop= 1080.0000000000000
main_MD> interactions number 1 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.41856 -2.28257 -3.06728
force_rgl> df(natom) -5.70865 -9.28630 -1.59339
5.0000 -222.11652 -209.96692 12.14959 3.11355 -207.94775 1059.36858
10.0000 -222.84475 -210.63114 12.21362 3.02697 -209.71218 1019.92087
15.0000 -220.69759 -207.06290 13.63469 3.11220 -207.97506 1075.54308
20.0000 -219.81037 -207.68999 12.12038 3.13073 -207.59748 1085.34134
25.0000 -221.12902 -207.65555 13.47347 3.12935 -207.62569 1108.64806
30.0000 -218.33112 -207.42440 10.90673 3.18431 -206.50550 1100.35207
35.0000 -220.02878 -204.72686 15.30192 3.13646 -207.48085 1080.56399
40.0000 -220.04274 -207.08499 12.95775 3.18026 -206.58820 1138.20797
45.0000 -221.85638 -206.16057 15.69582 3.20156 -206.15400 1121.56560
50.0000 -220.21271 -208.70761 11.50510 3.13170 -207.57767 1091.63253
55.0000 -220.55363 -209.78167 10.77195 3.14252 -207.35735 1119.63148
60.0000 -221.04906 -208.54778 12.50128 3.07067 -208.82144 1045.51789
65.0000 -222.78639 -209.28647 13.49992 3.09998 -208.22416 1082.80171
70.0000 -222.54042 -209.18116 13.35926 3.02903 -209.67014 1031.48515
75.0000 -220.84080 -207.56472 13.27608 3.07459 -208.74172 1068.08350
80.0000 -221.20734 -208.44228 12.76506 3.12871 -207.63878 1102.08003
85.0000 -222.64332 -210.53674 12.10658 3.07349 -208.76401 1066.98623
90.0000 -219.98680 -207.32673 12.66007 3.08182 -208.59428 1074.09103
95.0000 -222.46256 -210.17016 12.29239 3.01423 -209.97170 1021.03166
100.0000 -223.81354 -211.40611 12.40743 2.97258 -210.82053 1010.13846
105.0000 -223.92257 -210.22649 13.69608 2.99207 -210.42341 1027.00509
110.0000 -219.67795 -206.58549 13.09245 3.11445 -207.92927 1085.51452
115.0000 -220.88393 -208.03308 12.85085 3.18435 -206.50482 1129.93860
120.0000 -222.34821 -209.44244 12.90578 3.09026 -208.42218 1042.68015
125.0000 -220.99660 -208.50096 12.49564 3.04242 -209.39726 1055.05545
130.0000 -220.32077 -208.08064 12.24012 3.08643 -208.50034 1039.45628
135.0000 -222.50955 -208.82438 13.68517 3.01841 -209.88650 1032.65167
140.0000 -221.62296 -208.67967 12.94329 3.12697 -207.67425 1105.71035
145.0000 -220.71560 -208.59758 12.11801 3.08238 -208.58292 1091.23515
150.0000 -220.61886 -206.93073 13.68813 3.11206 -207.97792 1088.88041
155.0000 -221.96120 -209.00338 12.95783 3.10986 -208.02293 1091.61848
160.0000 -221.59843 -208.42039 13.17805 3.04273 -209.39089 1018.61746
165.0000 -221.26924 -207.67129 13.59795 3.11465 -207.92518 1097.18411
170.0000 -222.78816 -208.85493 13.93323 3.08956 -208.43664 1059.29107
175.0000 -221.41956 -209.83691 11.58265 3.04904 -209.26231 1053.18096
180.0000 -220.16047 -206.93102 13.22945 3.10785 -208.06380 1074.72279
185.0000 -221.15572 -206.77324 14.38248 3.14714 -207.26310 1091.53900
190.0000 -220.47495 -207.71535 12.75961 3.17960 -206.60166 1128.47401
195.0000 -223.65843 -213.28994 10.36850 3.00954 -210.06737 1026.22627
200.0000 -222.85148 -210.33661 12.51488 2.89567 -212.38784 953.40044
205.0000 -222.60897 -211.21542 11.39356 2.96116 -211.05317 972.39583
210.0000 -223.20865 -211.65653 11.55212 2.97352 -210.80147 955.74137
215.0000 -221.03730 -208.65905 12.37825 3.05658 -209.10875 1063.13948
220.0000 -220.28262 -207.93299 12.34963 3.06492 -208.93876 1021.26636
225.0000 -223.87869 -209.86695 14.01175 3.03742 -209.49903 1031.91322
230.0000 -222.85773 -211.35095 11.50678 3.07603 -208.71224 1083.11272
235.0000 -220.66679 -210.07343 10.59336 2.92681 -211.75334 960.03153
240.0000 -223.10143 -210.58376 12.51767 3.00235 -210.21388 1008.21848
245.0000 -220.88388 -208.77154 12.11233 3.00146 -210.23189 1028.61427
250.0000 -223.82356 -210.55115 13.27240 3.05187 -209.20458 1043.01399
FREEZING PROCESS: loop number 2 T-loop= 1055.0000000000000
main_MD> interactions number 2 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.81679 -1.08595 1.62344
force_rgl> df(natom) -1.72977 -0.22834 0.05206
255.0000 -222.38509 -210.12885 12.25624 2.98939 -210.47806 1022.49457
260.0000 -223.19144 -210.66232 12.52911 3.00962 -210.06576 1038.83587
265.0000 -221.84657 -210.23478 11.61179 3.00869 -210.08463 1005.20751
270.0000 -222.10823 -210.13497 11.97326 3.08140 -208.60277 1081.83074
275.0000 -220.60865 -209.48724 11.12141 3.07028 -208.82938 1047.40438
280.0000 -222.72576 -210.82806 11.89771 2.99297 -210.40506 991.12104
285.0000 -221.07807 -208.06824 13.00983 3.07587 -208.71552 1059.92443
290.0000 -219.22504 -208.10304 11.12200 3.11827 -207.85143 1096.13259
295.0000 -218.55890 -204.63960 13.91930 3.11889 -207.83890 1069.70124
300.0000 -218.26351 -204.21347 14.05004 3.30914 -203.96172 1206.91910
305.0000 -220.88125 -208.76676 12.11450 3.16896 -206.81849 1091.32849
310.0000 -220.15380 -207.60187 12.55193 3.09099 -208.40735 1060.20470
315.0000 -220.43251 -209.16234 11.27017 3.08812 -208.46593 1083.72625
320.0000 -223.45801 -210.70265 12.75536 3.02289 -209.79521 1011.75328
325.0000 -222.35821 -208.72857 13.62965 3.05139 -209.21450 1037.26737
330.0000 -222.01025 -208.86029 13.14996 3.07943 -208.64293 1068.49227
335.0000 -219.59152 -206.60933 12.98219 3.12308 -207.75341 1115.57693
340.0000 -222.22664 -210.81915 11.40749 3.10439 -208.13428 1057.38442
345.0000 -221.77132 -207.78799 13.98333 3.07016 -208.83201 1054.53643
350.0000 -220.28433 -207.51773 12.76660 3.14843 -207.23688 1134.55401
355.0000 -219.26807 -207.64151 11.62656 3.14301 -207.34722 1092.18077
360.0000 -222.16809 -207.47885 14.68924 3.14211 -207.36556 1122.99431
365.0000 -220.85790 -209.91117 10.94673 3.13702 -207.46941 1099.20720
370.0000 -221.27070 -208.47355 12.79715 3.07240 -208.78620 1044.76354
375.0000 -223.13599 -209.49684 13.63914 3.06088 -209.02105 1044.82855
380.0000 -222.40482 -210.02075 12.38407 3.07197 -208.79499 1055.38461
385.0000 -222.47355 -210.78882 11.68473 3.02727 -209.70607 1018.89005
390.0000 -222.33224 -210.22186 12.11039 2.97421 -210.78738 981.08833
395.0000 -220.36802 -207.68232 12.68570 3.06558 -208.92531 1047.14034
400.0000 -221.97764 -209.73391 12.24374 3.05860 -209.06754 1066.39697
405.0000 -221.66148 -210.31557 11.34591 3.02979 -209.65455 1012.42580
410.0000 -219.76983 -207.60711 12.16272 3.03891 -209.46880 1027.43336
415.0000 -220.81698 -206.91180 13.90518 3.11504 -207.91737 1075.52432
420.0000 -219.26736 -206.46496 12.80240 3.19365 -206.31531 1133.74848
425.0000 -221.87633 -208.97492 12.90142 3.14426 -207.32183 1087.78617
430.0000 -220.44101 -208.67200 11.76901 3.07894 -208.65307 1079.48852
435.0000 -219.78912 -207.08190 12.70722 3.13448 -207.52113 1102.75856
440.0000 -221.80319 -208.69208 13.11111 3.14458 -207.31525 1074.61013
445.0000 -223.06610 -210.32799 12.73811 3.09551 -208.31523 1065.62286
450.0000 -221.74347 -210.00796 11.73551 2.98699 -210.52695 996.56760
455.0000 -221.63231 -210.28226 11.35005 3.02175 -209.81847 1024.66367
460.0000 -222.18307 -209.89639 12.28668 3.04314 -209.38265 1037.21234
465.0000 -222.47552 -209.10935 13.36617 3.01152 -210.02698 1021.99738
470.0000 -220.84772 -209.22674 11.62099 3.04940 -209.25496 1022.23538
475.0000 -222.75152 -210.61985 12.13168 2.97650 -210.74071 995.78040
480.0000 -222.05546 -210.70823 11.34723 2.92722 -211.74495 971.90882
485.0000 -222.25424 -209.05727 13.19697 3.02760 -209.69929 1004.96407
490.0000 -220.88384 -210.11743 10.76641 3.04649 -209.31433 1041.77091
495.0000 -220.24429 -207.68496 12.55933 3.12699 -207.67375 1084.12320
500.0000 -222.25655 -209.18784 13.06871 3.07591 -208.71479 1049.38478
FREEZING PROCESS: loop number 3 T-loop= 1030.0000000000000
main_MD> interactions number 3 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10102 -0.17036 -0.56956
force_rgl> df(natom) 1.71633 -1.56691 -1.38407
505.0000 -220.12634 -209.48255 10.64379 2.99277 -210.40900 977.19515
510.0000 -219.24166 -206.99676 12.24489 3.15485 -207.10603 1080.00378
515.0000 -219.85822 -206.93567 12.92254 3.14141 -207.37985 1076.29458
520.0000 -224.53387 -213.81730 10.71657 3.03497 -209.54899 1025.13473
525.0000 -222.31615 -210.17741 12.13875 2.85460 -213.22493 921.31344
530.0000 -223.04702 -211.49675 11.55027 2.94222 -211.43930 984.49297
535.0000 -221.66166 -211.41219 10.24947 2.93957 -211.49326 970.50498
540.0000 -224.37004 -213.35596 11.01408 2.88775 -212.54935 959.91655
545.0000 -224.98759 -214.34405 10.64354 2.85472 -213.22250 932.94363
550.0000 -220.96766 -208.70689 12.26077 2.98704 -210.52591 1018.29603
555.0000 -220.92637 -206.35514 14.57123 3.12748 -207.66373 1089.55210
560.0000 -220.66891 -207.97871 12.69020 3.17588 -206.67742 1104.99131
565.0000 -218.95059 -206.76572 12.18488 3.06880 -208.85963 1039.82782
570.0000 -220.72614 -208.79068 11.93547 3.09377 -208.35068 1082.62089
575.0000 -221.32044 -210.83292 10.48752 3.01756 -209.90394 1017.68405
580.0000 -219.70677 -208.47012 11.23664 3.01393 -209.97784 997.40866
585.0000 -220.82562 -207.96114 12.86448 3.14195 -207.36887 1089.49205
590.0000 -222.47438 -209.73289 12.74149 3.06684 -208.89964 1067.94795
595.0000 -222.16009 -210.76446 11.39563 3.02688 -209.71400 1022.96236
600.0000 -223.27332 -212.47117 10.80215 2.92055 -211.88081 955.76279
605.0000 -220.51025 -210.62650 9.88376 2.95929 -211.09144 985.59314
610.0000 -223.12807 -211.49094 11.63713 2.92557 -211.77847 960.42326
615.0000 -221.77326 -209.98643 11.78682 2.96675 -210.93938 980.51079
620.0000 -222.61287 -209.50073 13.11214 2.98694 -210.52798 1004.05112
625.0000 -221.69844 -209.43203 12.26641 3.06166 -209.00514 1060.81532
630.0000 -222.34923 -209.35046 12.99877 3.05141 -209.21394 1043.13074
635.0000 -219.44518 -207.56408 11.88111 3.04843 -209.27474 1051.70445
640.0000 -221.16331 -209.30777 11.85553 3.12895 -207.63385 1101.42201
645.0000 -219.11473 -206.40501 12.70972 3.12865 -207.63990 1097.29712
650.0000 -221.82090 -208.45275 13.36816 3.10050 -208.21350 1077.12677
655.0000 -221.10016 -209.59551 11.50464 3.06169 -209.00461 1043.89887
660.0000 -221.25430 -207.61993 13.63437 3.11591 -207.89955 1059.33965
665.0000 -223.22714 -211.34296 11.88418 3.02725 -209.70630 1021.81186
670.0000 -221.98784 -209.16905 12.81879 3.03679 -209.51200 1040.01155
675.0000 -220.72618 -207.56703 13.15915 3.11626 -207.89237 1087.26325
680.0000 -220.27210 -209.67807 10.59402 3.06820 -208.87177 1052.88876
685.0000 -220.73131 -207.34833 13.38298 3.12130 -207.78976 1091.75261
690.0000 -221.53911 -209.70260 11.83651 3.10085 -208.20639 1093.90039
695.0000 -221.17345 -209.52548 11.64796 3.04691 -209.30579 1039.09073
700.0000 -223.50469 -208.71980 14.78489 3.03785 -209.49041 1038.44250
705.0000 -223.78777 -210.38618 13.40159 3.05743 -209.09130 1042.19506
710.0000 -222.77128 -209.43933 13.33195 3.02129 -209.82792 1026.35804
715.0000 -221.19334 -208.06186 13.13148 3.03310 -209.58712 1026.79069
720.0000 -218.96792 -206.54832 12.41960 3.14919 -207.22132 1119.27117
725.0000 -218.19984 -206.89897 11.30087 3.12841 -207.64490 1103.41466
730.0000 -220.71968 -207.84497 12.87471 3.17241 -206.74821 1117.93920
735.0000 -221.40869 -210.27341 11.13528 3.04219 -209.40190 1066.14594
740.0000 -224.39736 -211.59897 12.79840 2.96438 -210.98756 976.93757
745.0000 -222.43938 -210.50643 11.93295 3.01246 -210.00781 1013.47558
750.0000 -223.00003 -210.83535 12.16467 2.97454 -210.78069 1007.71752
FREEZING PROCESS: loop number 4 T-loop= 1005.0000000000000
main_MD> interactions number 4 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.27235 -0.11079 2.74919
force_rgl> df(natom) -0.80647 -0.76148 -1.20658
755.0000 -221.64578 -210.42780 11.21798 2.97250 -210.82221 1014.44883
760.0000 -224.19254 -211.28449 12.90805 3.03031 -209.64396 1020.37333
765.0000 -222.54875 -213.23675 9.31200 2.92572 -211.77544 965.91903
770.0000 -221.90163 -209.90529 11.99635 2.96325 -211.01073 988.47058
775.0000 -218.77074 -207.24474 11.52600 3.10718 -208.07746 1076.99284
780.0000 -222.20710 -210.47060 11.73649 3.12091 -207.79757 1096.29867
785.0000 -223.14701 -211.26949 11.87752 2.93992 -211.48609 982.25681
790.0000 -222.92476 -211.52399 11.40077 2.92024 -211.88729 977.67638
795.0000 -224.25115 -211.77966 12.47149 2.96540 -210.96693 997.75898
800.0000 -224.41064 -215.55883 8.85181 2.82361 -213.85645 926.52309
805.0000 -223.59547 -213.16369 10.43178 2.77070 -214.93482 862.82731
810.0000 -223.53579 -213.11412 10.42167 2.88101 -212.68672 938.28894
815.0000 -221.74911 -210.11347 11.63564 2.94486 -211.38548 1001.14219
820.0000 -221.44844 -211.08851 10.35993 2.99670 -210.32907 1022.87222
825.0000 -221.97089 -210.14053 11.83036 3.03167 -209.61629 1023.65637
830.0000 -221.39286 -210.22749 11.16537 3.05698 -209.10060 1082.28281
835.0000 -221.65981 -210.44432 11.21549 2.99284 -210.40765 1022.81526
840.0000 -223.78977 -210.95643 12.83334 2.99452 -210.37343 1025.66991
845.0000 -221.62172 -211.12790 10.49381 2.94605 -211.36112 988.91365
850.0000 -225.02766 -212.04728 12.98038 2.95377 -211.20378 1003.88444
855.0000 -223.69705 -211.77885 11.91820 2.89853 -212.32965 934.48344
860.0000 -219.36732 -207.55904 11.80828 2.98553 -210.55665 1022.76348
865.0000 -221.21291 -209.12134 12.09157 3.10777 -208.06553 1089.25618
870.0000 -223.75509 -211.84078 11.91430 2.94257 -211.43217 982.02235
875.0000 -221.51427 -210.41761 11.09665 2.98744 -210.51772 1020.32286
880.0000 -220.18446 -207.97177 12.21269 3.02504 -209.75152 1052.52787
885.0000 -218.34984 -206.86429 11.48555 3.10771 -208.06673 1076.58007
890.0000 -219.47600 -208.67024 10.80576 3.11339 -207.95091 1071.10357
895.0000 -221.32610 -207.68940 13.63670 3.14625 -207.28130 1104.07723
900.0000 -221.55198 -208.79670 12.75528 3.07336 -208.76675 1090.15926
905.0000 -222.21515 -210.29483 11.92032 2.97494 -210.77246 1022.46479
910.0000 -222.81865 -210.04092 12.77773 2.95152 -211.24976 976.85619
915.0000 -223.50627 -209.78596 13.72031 2.97544 -210.76216 1008.26187
920.0000 -223.65578 -210.92711 12.72867 3.02958 -209.65899 1031.43183
925.0000 -220.86618 -208.85600 12.01018 3.01346 -209.98737 1021.51372
930.0000 -224.47118 -211.35870 13.11247 2.97688 -210.73290 1010.30403
935.0000 -223.64069 -209.87060 13.77009 2.95804 -211.11691 991.61427
940.0000 -221.00257 -207.96811 13.03446 3.06359 -208.96575 1031.95213
945.0000 -221.20048 -209.69446 11.50602 3.11538 -207.91040 1078.38082
950.0000 -221.84120 -211.78947 10.05173 2.96728 -210.92861 991.09562
955.0000 -222.46778 -210.74170 11.72608 2.89594 -212.38234 934.06310
960.0000 -221.97571 -212.69446 9.28125 2.94269 -211.42965 966.71849
965.0000 -221.41847 -209.34561 12.07286 2.93661 -211.55356 971.73053
970.0000 -222.22162 -208.64786 13.57376 3.05896 -209.06007 1021.94295
975.0000 -221.35980 -209.35789 12.00191 3.07496 -208.73419 1067.61332
980.0000 -220.66478 -208.28054 12.38423 3.07305 -208.77302 1064.68125
985.0000 -222.88286 -210.80353 12.07933 3.04555 -209.33340 1051.23136
990.0000 -222.06883 -210.00408 12.06476 2.95032 -211.27418 998.35230
995.0000 -223.76642 -211.99915 11.76726 2.93778 -211.52980 971.81464
1000.0000 -221.87767 -208.63245 13.24522 3.02212 -209.81085 1017.54697
FREEZING PROCESS: loop number 5 T-loop= 980.00000000000000
main_MD> interactions number 5 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98850 1.30436 0.76820
force_rgl> df(natom) 0.84624 0.93771 0.63292
1005.0000 -223.86692 -211.84405 12.02287 2.99254 -210.41385 991.50654
1010.0000 -223.57643 -212.03096 11.54547 2.89865 -212.32729 957.46246
1015.0000 -224.32319 -214.86492 9.45828 2.93990 -211.48656 969.86125
1020.0000 -224.86521 -213.53146 11.33375 2.75698 -215.21430 860.96727
1025.0000 -224.25988 -213.76313 10.49676 2.86193 -213.07543 899.99999
1030.0000 -222.71836 -211.05224 11.66613 2.92083 -211.87509 937.56444
1035.0000 -222.89516 -211.21184 11.68333 2.96529 -210.96901 992.04025
1040.0000 -221.07672 -208.48517 12.59155 3.03660 -209.51592 1033.50581
1045.0000 -224.43729 -213.47143 10.96586 2.93753 -211.53490 957.22960
1050.0000 -223.99185 -211.69444 12.29741 2.90160 -212.26711 966.02261
1055.0000 -220.49536 -209.46357 11.03179 2.99597 -210.34393 986.83276
1060.0000 -222.49007 -211.00653 11.48354 2.98543 -210.55874 981.42297
1065.0000 -222.73655 -210.91914 11.81741 2.93179 -211.65176 972.94490
1070.0000 -223.41727 -211.55149 11.86578 2.93285 -211.63027 974.38629
1075.0000 -223.27668 -213.21849 10.05818 2.84481 -213.42439 909.67515
1080.0000 -224.44815 -213.40191 11.04625 2.88473 -212.61088 936.98302
1085.0000 -223.68248 -213.35855 10.32394 2.84834 -213.35242 929.16354
1090.0000 -223.55517 -213.07725 10.47792 2.81689 -213.99344 885.55183
1095.0000 -222.63117 -213.39548 9.23569 2.87202 -212.86990 920.65954
1100.0000 -222.14715 -209.35876 12.78839 2.96122 -211.05200 969.89498
1105.0000 -223.74137 -212.03816 11.70321 3.01443 -209.96761 1033.62848
1110.0000 -221.67515 -211.53919 10.13596 2.92969 -211.69470 989.56928
1115.0000 -222.00870 -211.36048 10.64822 2.95962 -211.08470 981.72534
1120.0000 -223.01771 -212.37771 10.64001 2.93469 -211.59267 958.95185
1125.0000 -224.46290 -211.54125 12.92165 2.92505 -211.78907 986.27280
1130.0000 -223.42608 -212.67763 10.74845 2.85018 -213.31495 941.56392
1135.0000 -224.48209 -213.96116 10.52094 2.84904 -213.33821 922.00768
1140.0000 -223.36921 -213.20554 10.16367 2.84671 -213.38574 913.30564
1145.0000 -224.21207 -213.64895 10.56312 2.88100 -212.68685 902.82767
1150.0000 -222.42398 -212.46079 9.96318 2.87074 -212.89590 942.41245
1155.0000 -223.17173 -211.72592 11.44581 2.90306 -212.23729 962.44872
1160.0000 -222.83711 -210.84805 11.98906 2.96441 -210.98704 1001.89416
1165.0000 -223.82155 -210.95973 12.86182 2.93434 -211.59984 971.59902
1170.0000 -222.86551 -211.00033 11.86518 2.96611 -210.95236 996.73951
1175.0000 -222.95661 -209.88369 13.07292 2.95788 -211.12019 976.24612
1180.0000 -220.22212 -208.55428 11.66784 3.02189 -209.81565 1053.92752
1185.0000 -221.47669 -210.20090 11.27579 3.05142 -209.21374 1055.96422
1190.0000 -221.67372 -210.87662 10.79710 2.93863 -211.51236 977.79638
1195.0000 -222.30198 -210.47643 11.82555 3.01325 -209.99167 1024.27889
1200.0000 -219.98297 -207.80771 12.17526 3.05251 -209.19169 1064.59194
1205.0000 -219.69180 -206.70651 12.98529 3.12598 -207.69427 1083.07035
1210.0000 -219.77769 -208.61137 11.16632 3.09229 -208.38100 1045.06244
1215.0000 -222.86225 -211.32939 11.53287 3.01841 -209.88654 1027.91094
1220.0000 -223.45225 -211.50692 11.94533 2.95395 -211.20027 964.56688
1225.0000 -223.02675 -210.85990 12.16685 2.94254 -211.43268 974.90828
1230.0000 -222.44681 -208.55814 13.88868 3.01248 -210.00736 1012.43643
1235.0000 -223.67604 -209.64932 14.02672 3.05591 -209.12225 1059.14494
1240.0000 -220.81856 -209.07526 11.74329 3.04842 -209.27497 1019.03206
1245.0000 -221.32352 -210.77375 10.54978 3.03648 -209.51828 997.07227
1250.0000 -223.06133 -211.97112 11.09021 2.96388 -210.99792 955.40462
FREEZING PROCESS: loop number 6 T-loop= 955.00000000000000
main_MD> interactions number 6 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68960 -2.56260 0.60006
force_rgl> df(natom) 2.49812 -1.18393 1.22704
1255.0000 -226.09792 -214.76152 11.33640 2.83908 -213.54110 911.91573
1260.0000 -222.61204 -210.59389 12.01815 2.88890 -212.52595 934.44916
1265.0000 -222.42651 -209.93052 12.49598 2.96398 -210.99583 1004.06885
1270.0000 -223.44755 -212.26635 11.18120 2.98262 -210.61596 982.63566
1275.0000 -223.83164 -213.00685 10.82479 2.90423 -212.21356 945.56637
1280.0000 -222.46676 -211.00175 11.46501 2.90388 -212.22050 951.88965
1285.0000 -223.14056 -213.07167 10.06889 2.87812 -212.74561 944.95438
1290.0000 -224.50681 -214.25617 10.25063 2.82939 -213.73859 903.53838
1295.0000 -225.06098 -212.39308 12.66791 2.84642 -213.39154 914.50105
1300.0000 -224.26635 -211.88010 12.38625 2.90326 -212.23332 972.70042
1305.0000 -224.50345 -213.53406 10.96938 2.85377 -213.24184 925.16485
1310.0000 -224.17602 -212.62227 11.55375 2.88400 -212.62566 935.08005
1315.0000 -224.28543 -211.35550 12.92993 2.93714 -211.54275 988.05173
1320.0000 -222.29816 -210.49504 11.80312 2.95902 -211.09695 1003.56610
1325.0000 -224.44701 -212.31092 12.13609 2.92248 -211.84147 968.30217
1330.0000 -223.40196 -211.58275 11.81921 2.91016 -212.09258 950.98538
1335.0000 -222.34405 -211.50675 10.83730 2.93423 -211.60203 963.99059
1340.0000 -224.36267 -212.51480 11.84787 2.86116 -213.09120 907.82243
1345.0000 -223.93868 -212.59355 11.34513 2.87061 -212.89856 920.68000
1350.0000 -224.68149 -212.66414 12.01735 2.83086 -213.70881 918.18266
1355.0000 -223.95405 -213.22998 10.72407 2.84541 -213.41218 920.01137
1360.0000 -222.20402 -211.65170 10.55232 2.91142 -212.06690 973.83929
1365.0000 -223.12808 -211.51907 11.60901 2.91627 -211.96804 940.27806
1370.0000 -222.62632 -211.83427 10.79205 2.90112 -212.27678 959.88031
1375.0000 -224.41535 -212.93491 11.48044 2.89568 -212.38770 951.50697
1380.0000 -223.48677 -211.22222 12.26455 2.96129 -211.05058 993.81435
1385.0000 -223.01497 -210.79637 12.21860 2.95826 -211.11232 999.61248
1390.0000 -220.34954 -210.68471 9.66483 2.98289 -210.61033 1039.67887
1395.0000 -222.34982 -210.03876 12.31105 3.01933 -209.86773 1032.13620
1400.0000 -222.58628 -211.76434 10.82194 2.95042 -211.27223 973.21772
1405.0000 -222.26287 -211.20368 11.05919 2.97503 -210.77054 995.07078
1410.0000 -224.39068 -213.19433 11.19635 2.84726 -213.37445 940.22668
1415.0000 -223.11218 -212.63532 10.47686 2.91139 -212.06749 966.14551
1420.0000 -224.17355 -212.87405 11.29950 2.88297 -212.64684 954.36815
1425.0000 -224.22406 -212.81269 11.41137 2.84091 -213.50398 916.45853
1430.0000 -224.53191 -212.96390 11.56801 2.88408 -212.62420 961.59657
1435.0000 -224.67225 -213.15918 11.51307 2.84254 -213.47061 929.90007
1440.0000 -223.35278 -212.86769 10.48509 2.84233 -213.47490 906.27142
1445.0000 -223.64716 -214.04288 9.60427 2.84567 -213.40688 930.86667
1450.0000 -223.33937 -212.27682 11.06254 2.85316 -213.25418 896.21092
1455.0000 -224.33742 -213.02052 11.31690 2.91884 -211.91567 968.90078
1460.0000 -224.36451 -212.75720 11.60731 2.88860 -212.53190 937.35048
1465.0000 -223.17326 -211.25424 11.91902 2.87628 -212.78309 921.02588
1470.0000 -223.86989 -212.65641 11.21348 2.89931 -212.31371 939.03921
1475.0000 -224.68226 -211.72947 12.95279 2.91056 -212.08438 970.28436
1480.0000 -223.11896 -212.09812 11.02083 2.91676 -211.95801 944.92180
1485.0000 -223.58718 -211.08599 12.50120 2.87608 -212.78715 890.50134
1490.0000 -223.95639 -212.80997 11.14642 2.91635 -211.96653 954.08910
1495.0000 -223.14694 -211.83561 11.31132 2.88183 -212.67001 938.26498
1500.0000 -224.17766 -213.66361 10.51406 2.88118 -212.68325 919.60407
FREEZING PROCESS: loop number 7 T-loop= 930.00000000000000
main_MD> interactions number 7 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.94258 7.18301 -4.96758
force_rgl> df(natom) -1.25069 -0.21840 -1.96480
1505.0000 -224.70240 -214.97010 9.73230 2.81554 -214.02098 893.45333
1510.0000 -225.20238 -213.83962 11.36275 2.80377 -214.26087 901.64801
1515.0000 -225.51554 -214.18058 11.33496 2.82837 -213.75945 910.17624
1520.0000 -225.39944 -214.81405 10.58540 2.80890 -214.15618 899.96144
1525.0000 -223.87263 -214.11029 9.76234 2.80051 -214.32724 847.25768
1530.0000 -223.72867 -215.15220 8.57647 2.78987 -214.54408 880.05366
1535.0000 -223.24167 -210.34921 12.89246 2.85905 -213.13429 940.73818
1540.0000 -223.92935 -211.16041 12.76893 2.94274 -211.42866 1020.49262
1545.0000 -223.14628 -210.40852 12.73776 2.95660 -211.14610 995.22474
1550.0000 -222.43435 -210.59346 11.84089 2.94335 -211.41631 959.23811
1555.0000 -224.04520 -212.07672 11.96848 2.95632 -211.15183 952.90476
1560.0000 -225.06370 -213.23206 11.83165 2.87667 -212.77503 918.72550
1565.0000 -225.14746 -213.64669 11.50078 2.85259 -213.26587 925.97754
1570.0000 -225.57618 -212.72991 12.84626 2.89688 -212.36326 963.96782
1575.0000 -224.68287 -212.64718 12.03569 2.90618 -212.17374 970.90971
1580.0000 -223.09546 -213.62982 9.46564 2.88839 -212.53618 951.41685
1585.0000 -224.14793 -213.51189 10.63604 2.83112 -213.70339 895.61207
1590.0000 -223.04147 -212.39990 10.64157 2.83880 -213.54697 921.31654
1595.0000 -223.48048 -212.91696 10.56352 2.87993 -212.70870 943.95837
1600.0000 -223.51739 -212.72029 10.79709 2.88125 -212.68175 933.24300
1605.0000 -225.80652 -216.29646 9.51006 2.82865 -213.75380 905.73597
1610.0000 -225.93919 -214.86714 11.07205 2.71736 -216.02169 836.15459
1615.0000 -224.05015 -213.80925 10.24090 2.81202 -214.09274 886.05784
1620.0000 -224.58598 -213.97389 10.61209 2.84978 -213.32313 918.18569
1625.0000 -223.72184 -213.58551 10.13633 2.84089 -213.50437 897.49707
1630.0000 -223.90733 -211.73474 12.17259 2.85361 -213.24517 914.01601
1635.0000 -225.71536 -213.51248 12.20288 2.84837 -213.35176 904.43852
1640.0000 -221.59297 -209.79667 11.79631 2.89162 -212.47043 943.28987
1645.0000 -224.83799 -213.43053 11.40746 2.91985 -211.89513 961.92286
1650.0000 -224.31841 -212.22599 12.09241 2.89430 -212.41583 957.50128
1655.0000 -223.75626 -210.78285 12.97342 2.92790 -211.73099 971.12468
1660.0000 -223.53522 -213.32056 10.21467 2.91530 -211.98783 953.96067
1665.0000 -224.72181 -213.24626 11.47555 2.83508 -213.62280 886.77696
1670.0000 -223.49221 -212.63501 10.85721 2.87524 -212.80435 920.75398
1675.0000 -223.99175 -213.77657 10.21518 2.89841 -212.33198 953.81955
1680.0000 -224.60820 -213.97619 10.63201 2.83470 -213.63041 926.91232
1685.0000 -226.26022 -216.23526 10.02496 2.84389 -213.44315 928.33506
1690.0000 -226.23483 -216.35340 9.88143 2.70311 -216.31224 850.49552
1695.0000 -224.76499 -214.77630 9.98869 2.68110 -216.76073 812.18712
1700.0000 -225.31193 -214.98186 10.33008 2.74033 -215.55363 860.28334
1705.0000 -223.29636 -211.90078 11.39558 2.85560 -213.20457 936.50415
1710.0000 -223.85262 -211.90215 11.95047 2.87854 -212.73702 942.70444
1715.0000 -223.58948 -212.24064 11.34884 2.92439 -211.80271 948.22937
1720.0000 -224.75973 -212.37786 12.38187 2.89012 -212.50100 966.80674
1725.0000 -225.45774 -214.68658 10.77116 2.84386 -213.44385 928.34647
1730.0000 -224.17597 -212.97127 11.20470 2.86371 -213.03931 930.81951
1735.0000 -225.40327 -214.80932 10.59395 2.80752 -214.18444 892.93306
1740.0000 -224.42778 -215.03819 9.38960 2.74470 -215.46463 854.93068
1745.0000 -224.57331 -213.55333 11.01998 2.84356 -213.44993 935.66292
1750.0000 -223.73686 -212.15228 11.58458 2.87524 -212.80427 947.90486
FREEZING PROCESS: loop number 8 T-loop= 905.00000000000000
main_MD> interactions number 8 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33633 -1.00099 0.66397
force_rgl> df(natom) 0.82446 0.69156 5.20262
1755.0000 -223.30555 -212.89325 10.41230 2.91043 -212.08706 969.36452
1760.0000 -224.11208 -212.62391 11.48816 2.88741 -212.55628 953.92221
1765.0000 -223.16870 -213.07903 10.08967 2.88303 -212.64546 933.51189
1770.0000 -223.84009 -213.61261 10.22748 2.84029 -213.51655 923.67477
1775.0000 -224.89363 -213.75834 11.13529 2.84901 -213.33884 940.42378
1780.0000 -227.26750 -216.03276 11.23474 2.74791 -215.39911 875.71346
1785.0000 -227.38430 -216.97250 10.41179 2.72485 -215.86910 835.86550
1790.0000 -226.31310 -216.05877 10.25434 2.70955 -216.18101 839.64992
1795.0000 -225.71453 -215.41372 10.30081 2.76570 -215.03659 865.14187
1800.0000 -224.03529 -211.18064 12.85465 2.87905 -212.72662 928.80021
1805.0000 -223.95332 -212.52075 11.43257 2.85941 -213.12686 926.22895
1810.0000 -224.51991 -213.59600 10.92391 2.87921 -212.72335 953.78350
1815.0000 -224.66716 -214.08188 10.58528 2.81909 -213.94849 904.75106
1820.0000 -223.10739 -212.53954 10.56785 2.82322 -213.86442 909.37302
1825.0000 -226.98033 -216.66440 10.31594 2.77787 -214.78860 890.40991
1830.0000 -225.12610 -215.09290 10.03320 2.71578 -216.05389 842.73336
1835.0000 -225.59546 -214.10609 11.48937 2.77851 -214.77562 888.05631
1840.0000 -221.98199 -209.73948 12.24251 2.90286 -212.24148 945.70543
1845.0000 -224.26269 -211.95247 12.31022 2.92099 -211.87198 980.94180
1850.0000 -226.23449 -212.85151 13.38298 2.87106 -212.88938 960.41519
1855.0000 -225.02550 -212.81622 12.20928 2.86409 -213.03143 972.05196
1860.0000 -222.68420 -211.39585 11.28835 2.93345 -211.61803 1001.40854
1865.0000 -225.36264 -214.51739 10.84526 2.89071 -212.48899 950.10207
1870.0000 -225.31504 -214.81355 10.50149 2.75389 -215.27727 856.27527
1875.0000 -224.77623 -214.39279 10.38344 2.77318 -214.88422 879.01390
1880.0000 -224.28447 -213.67536 10.60910 2.83287 -213.66778 895.67821
1885.0000 -224.63184 -214.58188 10.04996 2.83739 -213.57556 912.07571
1890.0000 -224.60064 -214.93542 9.66522 2.79470 -214.44568 890.74391
1895.0000 -224.69822 -213.54813 11.15008 2.81854 -213.95973 917.32888
1900.0000 -223.91563 -214.45749 9.45814 2.80551 -214.22538 896.76403
1905.0000 -225.16187 -214.93130 10.23057 2.79416 -214.45655 874.69356
1910.0000 -224.75761 -214.53532 10.22228 2.79821 -214.37409 890.35745
1915.0000 -226.48596 -214.92003 11.56593 2.84600 -213.40014 928.00972
1920.0000 -226.37598 -216.01085 10.36513 2.75608 -215.23266 868.97909
1925.0000 -224.75151 -213.52708 11.22443 2.80826 -214.16920 911.80806
1930.0000 -223.70473 -213.09351 10.61122 2.85296 -213.25823 948.50439
1935.0000 -224.26008 -212.34852 11.91156 2.86075 -213.09960 934.29074
1940.0000 -225.22107 -214.13988 11.08118 2.81583 -214.01492 910.82428
1945.0000 -222.79235 -211.93663 10.85572 2.87380 -212.83367 902.46604
1950.0000 -225.16523 -214.73582 10.42941 2.87499 -212.80935 903.68621
1955.0000 -225.07157 -213.95816 11.11341 2.75157 -215.32462 856.08728
1960.0000 -223.48441 -212.07236 11.41206 2.86793 -212.95326 926.92329
1965.0000 -223.11918 -213.12101 9.99817 2.85228 -213.27219 915.30136
1970.0000 -223.61594 -212.71495 10.90099 2.85103 -213.29758 920.34075
1975.0000 -224.39848 -212.98823 11.41025 2.87009 -212.90924 916.91647
1980.0000 -224.06069 -214.24717 9.81352 2.80212 -214.29431 899.72257
1985.0000 -225.80006 -215.30902 10.49104 2.79064 -214.52827 890.71737
1990.0000 -223.69952 -213.64798 10.05154 2.78333 -214.67737 890.59421
1995.0000 -225.88973 -215.78653 10.10320 2.77608 -214.82500 855.49199
2000.0000 -224.55224 -213.44262 11.10962 2.85537 -213.20911 936.66695
FREEZING PROCESS: loop number 9 T-loop= 880.00000000000000
main_MD> interactions number 9 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49943 -2.65993 2.57315
force_rgl> df(natom) -1.25035 1.90777 -1.63136
2005.0000 -225.49877 -216.09903 9.39974 2.76575 -215.03557 846.66014
2010.0000 -224.79501 -214.43887 10.35614 2.70264 -216.32174 850.79997
2015.0000 -224.59762 -214.75054 9.84708 2.77246 -214.89893 884.26545
2020.0000 -223.86484 -211.84929 12.01555 2.82491 -213.82995 883.70128
2025.0000 -224.99149 -214.65123 10.34026 2.88702 -212.56411 928.19013
2030.0000 -225.23188 -214.39015 10.84174 2.80309 -214.27457 897.37117
2035.0000 -225.26317 -216.02820 9.23497 2.72908 -215.78296 834.67077
2040.0000 -224.90746 -214.05656 10.85089 2.79193 -214.50203 875.07200
2045.0000 -223.85374 -213.39900 10.45474 2.84045 -213.51334 895.16791
2050.0000 -223.45865 -212.52563 10.93302 2.88449 -212.61567 924.12073
2055.0000 -226.31639 -215.70737 10.60902 2.84683 -213.38320 904.20298
2060.0000 -224.30531 -213.45286 10.85244 2.82246 -213.87986 912.91173
2065.0000 -224.74479 -214.47283 10.27196 2.84256 -213.47027 925.11593
2070.0000 -225.86420 -214.32334 11.54086 2.80413 -214.25336 896.04895
2075.0000 -225.21200 -215.66343 9.54857 2.77281 -214.89169 875.46271
2080.0000 -225.60857 -215.39919 10.20938 2.69082 -216.56270 820.36653
2085.0000 -224.89081 -214.54848 10.34233 2.82374 -213.85389 919.49685
2090.0000 -224.33900 -214.50347 9.83554 2.76940 -214.96117 851.64326
2095.0000 -224.94166 -214.02349 10.91817 2.80130 -214.31116 856.65876
2100.0000 -222.88100 -212.43016 10.45084 2.86475 -213.01814 905.63120
2105.0000 -223.31943 -212.70440 10.61503 2.87444 -212.82054 942.98252
2110.0000 -224.35752 -212.90955 11.44797 2.90477 -212.20248 947.99963
2115.0000 -225.09820 -213.82990 11.26831 2.84751 -213.36930 926.87576
2120.0000 -225.03028 -213.81336 11.21692 2.81980 -213.93411 924.69922
2125.0000 -227.06127 -217.16313 9.89814 2.70465 -216.28070 840.46434
2130.0000 -227.18312 -215.33691 11.84621 2.71203 -216.13045 844.84427
2135.0000 -226.62626 -218.90442 7.72184 2.60320 -218.34820 786.31152
2140.0000 -226.86818 -217.83055 9.03762 2.60590 -218.29318 767.05501
2145.0000 -227.50811 -216.89325 10.61485 2.69408 -216.49611 821.66955
2150.0000 -224.63447 -213.69397 10.94050 2.73223 -215.71881 850.26873
2155.0000 -224.47043 -213.92134 10.54909 2.83222 -213.68102 907.14098
2160.0000 -224.09859 -213.38080 10.71779 2.81368 -214.05885 877.02031
2165.0000 -225.44796 -214.25721 11.19075 2.83890 -213.54483 905.31391
2170.0000 -224.11929 -214.82426 9.29503 2.78606 -214.62180 853.88534
2175.0000 -225.29730 -214.16835 11.12896 2.78695 -214.60361 877.37581
2180.0000 -225.36647 -215.96827 9.39820 2.75537 -215.24705 856.08155
2185.0000 -225.98887 -215.43832 10.55055 2.72350 -215.89673 840.33153
2190.0000 -225.73300 -215.79511 9.93789 2.70087 -216.35789 820.19590
2195.0000 -226.33320 -216.52116 9.81204 2.72482 -215.86966 836.46268
2200.0000 -225.07239 -214.33961 10.73278 2.73822 -215.59671 826.70463
2205.0000 -224.92278 -213.75369 11.16909 2.82099 -213.90975 900.17425
2210.0000 -226.42927 -216.51755 9.91173 2.76684 -215.01338 881.04512
2215.0000 -225.82613 -215.01704 10.80910 2.75694 -215.21520 895.02589
2220.0000 -225.60732 -215.60079 10.00652 2.72327 -215.90142 852.16029
2225.0000 -226.24707 -215.90838 10.33869 2.75118 -215.33259 867.00439
2230.0000 -227.14155 -217.25962 9.88193 2.65275 -217.33841 818.11282
2235.0000 -225.80758 -215.27186 10.53572 2.69541 -216.46908 835.07824
2240.0000 -225.60246 -215.45212 10.15035 2.78112 -214.72230 899.79778
2245.0000 -225.53503 -214.69990 10.83513 2.76413 -215.06869 850.19754
2250.0000 -224.15405 -215.27324 8.88080 2.78970 -214.54743 878.48875
FREEZING PROCESS: loop number 10 T-loop= 855.00000000000000
main_MD> interactions number 10 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.18277 0.37184 -2.43088
force_rgl> df(natom) -0.38020 -0.89878 4.27528
2255.0000 -227.32261 -216.74639 10.57621 2.74525 -215.45342 841.23222
2260.0000 -225.66211 -216.31258 9.34953 2.69800 -216.41625 835.74801
2265.0000 -226.53373 -217.22857 9.30516 2.71756 -216.01772 842.15508
2270.0000 -227.40121 -215.76354 11.63768 2.65570 -217.27844 791.48451
2275.0000 -226.92827 -215.95561 10.97266 2.71332 -216.10416 836.62638
2280.0000 -224.55395 -214.38649 10.16746 2.75281 -215.29927 851.87801
2285.0000 -225.56743 -215.47390 10.09353 2.76142 -215.12378 865.32365
2290.0000 -226.62938 -214.57927 12.05010 2.80547 -214.22614 883.87359
2295.0000 -226.60656 -215.15640 11.45016 2.76817 -214.98624 877.30299
2300.0000 -224.88924 -213.60688 11.28236 2.83253 -213.67476 918.17514
2305.0000 -225.35824 -215.34362 10.01462 2.81856 -213.95944 883.21506
2310.0000 -226.21104 -214.17587 12.03517 2.80151 -214.30694 901.55889
2315.0000 -224.81715 -214.97627 9.84088 2.74726 -215.41235 870.21310
2320.0000 -225.87771 -215.55918 10.31853 2.76425 -215.06622 865.60644
2325.0000 -224.79865 -214.99532 9.80333 2.77923 -214.76099 863.11255
2330.0000 -225.20778 -214.25472 10.95306 2.75597 -215.23485 868.48928
2335.0000 -226.05230 -214.25259 11.79972 2.79119 -214.51707 863.04473
2340.0000 -224.06329 -213.12283 10.94046 2.80743 -214.18611 890.84818
2345.0000 -226.32223 -215.26281 11.05943 2.83334 -213.65813 919.30862
2350.0000 -226.48463 -215.51355 10.97108 2.77767 -214.79264 888.21458
2355.0000 -224.57674 -214.28599 10.29075 2.77282 -214.89162 855.41429
2360.0000 -224.22702 -215.01431 9.21271 2.76882 -214.97304 863.24264
2365.0000 -226.37524 -215.02864 11.34660 2.76631 -215.02426 866.97503
2370.0000 -227.44726 -216.90559 10.54167 2.77226 -214.90303 891.04471
2375.0000 -225.42537 -215.67337 9.75200 2.67420 -216.90144 812.74262
2380.0000 -226.10071 -216.90052 9.20019 2.68646 -216.65141 847.10934
2385.0000 -227.40900 -217.57131 9.83769 2.65499 -217.29279 810.20190
2390.0000 -224.79761 -214.32870 10.46892 2.74997 -215.35713 873.94076
2395.0000 -223.47259 -212.50294 10.96966 2.84313 -213.45867 914.59475
2400.0000 -224.54120 -212.05975 12.48145 2.88129 -212.68089 960.63196
2405.0000 -223.29521 -212.59032 10.70489 2.83503 -213.62376 902.30304
2410.0000 -224.66974 -215.80971 8.86003 2.77857 -214.77438 894.52560
2415.0000 -227.23356 -217.26034 9.97321 2.70624 -216.24839 825.87393
2420.0000 -225.16363 -214.67292 10.49071 2.71876 -215.99318 848.35831
2425.0000 -227.20731 -218.20427 9.00305 2.70926 -216.18693 842.59334
2430.0000 -226.68332 -217.54314 9.14018 2.64300 -217.53728 816.56742
2435.0000 -227.37905 -216.70626 10.67279 2.68130 -216.75673 830.99172
2440.0000 -226.42045 -217.42283 8.99763 2.66970 -216.99312 811.03579
2445.0000 -226.35857 -215.96093 10.39764 2.69292 -216.51983 840.39069
2450.0000 -223.70450 -213.83246 9.87204 2.76995 -214.94994 878.32426
2455.0000 -226.09138 -214.91413 11.17725 2.78840 -214.57407 901.87363
2460.0000 -224.80509 -214.52392 10.28117 2.72788 -215.80741 865.68219
2465.0000 -224.89062 -213.43714 11.45347 2.75043 -215.34786 852.23975
2470.0000 -224.27581 -212.72662 11.54919 2.82415 -213.84540 894.42056
2475.0000 -227.01511 -216.41915 10.59596 2.79355 -214.46897 886.33192
2480.0000 -224.97249 -214.79151 10.18098 2.77813 -214.78339 875.97656
2485.0000 -227.50243 -216.98628 10.51615 2.71986 -215.97080 838.64066
2490.0000 -226.94123 -217.29229 9.64894 2.65638 -217.26442 817.26096
2495.0000 -227.15249 -217.53628 9.61621 2.63022 -217.79765 802.46198
2500.0000 -223.81160 -214.33760 9.47399 2.74682 -215.42132 840.94579
FREEZING PROCESS: loop number 11 T-loop= 830.00000000000000
main_MD> interactions number 11 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.55075 2.49776 1.51865
force_rgl> df(natom) 3.71120 -1.31139 4.08879
2505.0000 -225.58100 -215.29557 10.28543 2.78050 -214.73507 880.45711
2510.0000 -226.28113 -216.27794 10.00319 2.71409 -216.08838 817.49916
2515.0000 -226.75673 -215.59736 11.15937 2.75085 -215.33920 857.68946
2520.0000 -225.14134 -215.92088 9.22046 2.74161 -215.52747 849.52725
2525.0000 -226.41535 -217.23010 9.18526 2.70606 -216.25206 812.84637
2530.0000 -226.02664 -216.36722 9.65943 2.71952 -215.97772 823.40719
2535.0000 -223.65788 -213.38005 10.27783 2.80551 -214.22534 889.11457
2540.0000 -225.01822 -215.10800 9.91021 2.76956 -214.95786 875.64669
2545.0000 -226.32606 -216.26036 10.06570 2.75893 -215.17454 862.56288
2550.0000 -225.63669 -216.30879 9.32791 2.70872 -216.19777 810.08946
2555.0000 -226.10702 -217.22202 8.88500 2.69385 -216.50091 834.11952
2560.0000 -227.62358 -217.37588 10.24770 2.65305 -217.33230 815.80200
2565.0000 -226.74348 -217.14122 9.60226 2.63972 -217.60401 786.29582
2570.0000 -227.33100 -218.75418 8.57682 2.63804 -217.63829 782.99231
2575.0000 -226.68488 -216.98383 9.70105 2.63532 -217.69371 814.53929
2580.0000 -226.66926 -216.91006 9.75920 2.63621 -217.67549 785.18613
2585.0000 -226.49651 -217.48622 9.01030 2.66301 -217.12936 790.40706
2590.0000 -227.51379 -218.52755 8.98624 2.62422 -217.91989 787.83611
2595.0000 -226.77676 -217.28270 9.49406 2.62646 -217.87424 773.18522
2600.0000 -225.04392 -214.97542 10.06850 2.74282 -215.50283 862.79789
2605.0000 -225.62156 -214.96310 10.65846 2.78189 -214.70671 886.06772
2610.0000 -226.15457 -215.46474 10.68983 2.74532 -215.45206 868.55258
2615.0000 -227.33696 -217.07447 10.26249 2.70015 -216.37241 836.01062
2620.0000 -226.50131 -216.81448 9.68683 2.65664 -217.25916 803.60680
2625.0000 -225.41294 -215.24914 10.16380 2.68220 -216.73832 815.55934
2630.0000 -225.15149 -214.96319 10.18830 2.69678 -216.44119 805.80918
2635.0000 -223.63260 -213.93850 9.69410 2.81515 -214.02887 885.24370
2640.0000 -225.88366 -214.16115 11.72251 2.83949 -213.53281 932.16217
2645.0000 -226.37297 -217.45936 8.91361 2.67333 -216.91910 814.04259
2650.0000 -225.61332 -214.01465 11.59868 2.72724 -215.82050 849.68357
2655.0000 -226.08371 -217.00574 9.07798 2.72298 -215.90729 834.97012
2660.0000 -227.33321 -219.42998 7.90324 2.57842 -218.85337 748.65834
2665.0000 -227.20925 -216.74570 10.46356 2.58685 -218.68141 756.00715
2670.0000 -225.86829 -216.11816 9.75013 2.68562 -216.66871 806.47373
2675.0000 -226.76496 -216.68186 10.08310 2.71295 -216.11158 844.63198
2680.0000 -225.75719 -216.42645 9.33075 2.74373 -215.48445 858.96276
2685.0000 -227.65596 -216.92840 10.72756 2.73585 -215.64506 838.12515
2690.0000 -224.86069 -214.76071 10.09998 2.69070 -216.56502 817.18853
2695.0000 -224.79793 -215.13035 9.66758 2.77481 -214.85088 862.25178
2700.0000 -226.76328 -218.11242 8.65086 2.69205 -216.53749 795.51475
2705.0000 -224.99839 -214.34233 10.65607 2.71718 -216.02543 844.25665
2710.0000 -225.67170 -214.67519 10.99651 2.80010 -214.33558 878.72930
2715.0000 -226.06628 -215.48786 10.57842 2.77625 -214.82159 900.86222
2720.0000 -227.14751 -216.24871 10.89881 2.70434 -216.28703 860.58444
2725.0000 -226.68834 -215.58755 11.10078 2.67981 -216.78711 822.14692
2730.0000 -226.91303 -218.44829 8.46474 2.67668 -216.85090 831.30354
2735.0000 -226.11419 -216.15487 9.95932 2.67501 -216.88477 808.84883
2740.0000 -224.58789 -215.55988 9.02800 2.72080 -215.95157 854.93157
2745.0000 -226.06501 -216.15404 9.91098 2.71476 -216.07471 826.53010
2750.0000 -226.07463 -215.80842 10.26622 2.74214 -215.51669 868.55805
FREEZING PROCESS: loop number 12 T-loop= 805.00000000000000
main_MD> interactions number 12 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.75254 -0.05554 0.56929
force_rgl> df(natom) -0.76509 -2.45560 -0.50501
2755.0000 -226.75160 -215.60035 11.15125 2.67542 -216.87651 820.26903
2760.0000 -227.66784 -218.05206 9.61579 2.66696 -217.04890 796.79870
2765.0000 -227.99326 -216.63013 11.36313 2.66772 -217.03345 824.88143
2770.0000 -228.03802 -218.36091 9.67711 2.64866 -217.42182 822.01827
2775.0000 -227.13468 -217.75850 9.37618 2.63785 -217.64223 795.63178
2780.0000 -227.53138 -217.78519 9.74620 2.68012 -216.78079 804.63947
2785.0000 -227.78039 -217.72476 10.05563 2.58401 -218.73936 747.38549
2790.0000 -225.61603 -215.33904 10.27699 2.72350 -215.89660 828.11586
2795.0000 -226.53021 -216.55129 9.97892 2.72119 -215.94372 834.95166
2800.0000 -227.08653 -218.26195 8.82459 2.63468 -217.70676 770.11117
2805.0000 -229.27141 -219.05061 10.22079 2.58226 -218.77513 762.02834
2810.0000 -227.01941 -218.80923 8.21018 2.58930 -218.63157 772.78042
2815.0000 -226.67414 -218.57974 8.09440 2.57583 -218.90603 761.48599
2820.0000 -227.94888 -218.95271 8.99617 2.54699 -219.49372 749.19765
2825.0000 -228.33765 -218.50265 9.83500 2.57726 -218.87683 784.54619
2830.0000 -227.68136 -218.84218 8.83918 2.62436 -217.91699 805.65116
2835.0000 -226.76513 -218.22244 8.54270 2.61775 -218.05183 785.78347
2840.0000 -227.17107 -218.48842 8.68265 2.62216 -217.96197 784.60140
2845.0000 -227.16263 -218.28958 8.87305 2.60288 -218.35472 784.34488
2850.0000 -228.19128 -219.78187 8.40940 2.55922 -219.24467 751.12382
2855.0000 -229.75281 -220.02891 9.72391 2.56137 -219.20066 742.90787
2860.0000 -228.66435 -219.96469 8.69967 2.50641 -220.32085 704.33490
2865.0000 -227.13109 -218.66278 8.46831 2.59744 -218.46557 758.28120
2870.0000 -227.50874 -217.72711 9.78163 2.65355 -217.32212 799.97946
2875.0000 -225.88539 -215.95378 9.93162 2.70855 -216.20133 846.51776
2880.0000 -226.36342 -216.76018 9.60324 2.71750 -216.01887 852.94665
2885.0000 -226.07598 -216.48354 9.59244 2.71495 -216.07097 836.53619
2890.0000 -226.02183 -216.97458 9.04725 2.69583 -216.46059 851.94092
2895.0000 -226.06694 -216.24453 9.82241 2.69501 -216.47726 826.74838
2900.0000 -226.88565 -216.85508 10.03058 2.70047 -216.36597 831.92997
2905.0000 -225.12572 -215.77253 9.35319 2.71745 -216.01988 840.95604
2910.0000 -225.63386 -217.31956 8.31430 2.72342 -215.89832 821.57123
2915.0000 -227.87787 -218.49938 9.37849 2.64698 -217.45601 788.39455
2920.0000 -223.97556 -215.27199 8.70357 2.68682 -216.64413 807.15011
2925.0000 -226.31520 -217.05850 9.25670 2.75832 -215.18706 849.81461
2930.0000 -227.32412 -217.51143 9.81270 2.64834 -217.42830 807.07352
2935.0000 -227.24145 -218.33978 8.90167 2.66916 -217.00396 828.57379
2940.0000 -228.26444 -218.50673 9.75771 2.62249 -217.95515 793.17811
2945.0000 -227.07835 -217.63151 9.44684 2.63848 -217.62939 793.76197
2950.0000 -227.58606 -217.33002 10.25604 2.62995 -217.80305 772.88619
2955.0000 -226.04334 -215.18605 10.85730 2.73612 -215.63945 834.67595
2960.0000 -227.99264 -218.25371 9.73892 2.69040 -216.57127 835.83459
2965.0000 -228.25017 -216.98422 11.26595 2.64701 -217.45553 794.49330
2970.0000 -224.67635 -216.51696 8.15939 2.67306 -216.92466 832.89157
2975.0000 -227.54894 -218.68583 8.86311 2.62666 -217.87020 766.78322
2980.0000 -227.42540 -217.50002 9.92538 2.58807 -218.65669 789.70993
2985.0000 -226.04559 -215.66314 10.38245 2.71519 -216.06598 839.28748
2990.0000 -227.86872 -218.26923 9.59949 2.67366 -216.91225 820.64293
2995.0000 -227.46246 -219.31089 8.15157 2.58075 -218.80579 750.12435
3000.0000 -225.77711 -215.80347 9.97363 2.64945 -217.40569 808.26198
FREEZING PROCESS: loop number 13 T-loop= 780.00000000000000
main_MD> interactions number 13 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.08123 0.41074 -0.73752
force_rgl> df(natom) -1.23772 -5.61127 2.85561
3005.0000 -227.09708 -218.04313 9.05394 2.65750 -217.24169 813.82398
3010.0000 -228.79154 -219.74281 9.04873 2.57323 -218.95900 756.14866
3015.0000 -225.47030 -215.87954 9.59076 2.63663 -217.66693 785.49437
3020.0000 -224.75170 -214.34316 10.40854 2.72398 -215.88690 845.29015
3025.0000 -224.91981 -215.05173 9.86808 2.78211 -214.70210 876.65381
3030.0000 -224.83928 -215.40879 9.43049 2.78718 -214.59893 878.87598
3035.0000 -226.26428 -216.02291 10.24137 2.71354 -216.09966 810.57920
3040.0000 -226.50823 -216.98568 9.52255 2.68245 -216.73323 821.75827
3045.0000 -226.21578 -216.56787 9.64792 2.69502 -216.47704 835.20211
3050.0000 -227.04646 -217.13242 9.91405 2.69639 -216.44913 797.20391
3055.0000 -227.07032 -218.72300 8.34732 2.62602 -217.88317 772.89455
3060.0000 -229.16278 -218.35370 10.80908 2.59329 -218.55015 751.71121
3065.0000 -228.59469 -218.80577 9.78892 2.56784 -219.06893 749.16322
3070.0000 -228.04851 -218.28834 9.76017 2.58054 -218.80999 760.94747
3075.0000 -228.21925 -218.60198 9.61728 2.62274 -217.95001 797.46783
3080.0000 -227.59500 -217.67710 9.91790 2.60198 -218.37316 769.66272
3085.0000 -226.99848 -217.44656 9.55193 2.61388 -218.13059 780.91813
3090.0000 -227.53456 -218.21644 9.31812 2.62958 -217.81074 797.48008
3095.0000 -226.33584 -217.19392 9.14192 2.64572 -217.48185 808.77309
3100.0000 -227.59341 -218.07717 9.51624 2.65028 -217.38890 790.52070
3105.0000 -226.42915 -216.54275 9.88639 2.63908 -217.61717 785.12547
3110.0000 -226.37106 -216.71414 9.65692 2.66875 -217.01239 810.02749
3115.0000 -228.19918 -217.87442 10.32476 2.63528 -217.69445 775.33414
3120.0000 -227.54699 -216.54556 11.00143 2.65070 -217.38025 815.15859
3125.0000 -226.46698 -216.17509 10.29189 2.69866 -216.40287 820.69214
3130.0000 -227.27270 -217.51958 9.75311 2.68139 -216.75480 841.59183
3135.0000 -227.09940 -216.32983 10.76958 2.64073 -217.58346 796.13813
3140.0000 -226.87306 -217.30048 9.57258 2.68881 -216.60368 830.09805
3145.0000 -227.67969 -218.26192 9.41777 2.60752 -218.26035 762.47804
3150.0000 -227.14106 -217.55863 9.58243 2.64162 -217.56531 812.27900
3155.0000 -227.46527 -216.74106 10.72421 2.67685 -216.84735 823.02813
3160.0000 -225.10075 -215.45393 9.64681 2.68712 -216.63804 833.08063
3165.0000 -227.05638 -215.26295 11.79343 2.75727 -215.20836 874.79691
3170.0000 -226.98753 -218.16366 8.82386 2.67629 -216.85880 818.19186
3175.0000 -227.44054 -217.17366 10.26688 2.63652 -217.66924 788.03241
3180.0000 -225.99119 -215.86673 10.12446 2.69468 -216.48403 837.35575
3185.0000 -224.46703 -216.31593 8.15111 2.67058 -216.97514 805.86358
3190.0000 -226.82906 -216.76680 10.06227 2.70954 -216.18111 823.73071
3195.0000 -227.13244 -218.72040 8.41203 2.61845 -218.03757 786.78632
3200.0000 -226.76525 -218.52655 8.23871 2.59569 -218.50134 764.98807
3205.0000 -226.80822 -217.86471 8.94351 2.60315 -218.34927 770.29273
3210.0000 -228.07652 -218.53894 9.53758 2.60600 -218.29122 762.60485
3215.0000 -227.96245 -219.22954 8.73291 2.56887 -219.04790 739.81997
3220.0000 -227.56746 -219.22717 8.34029 2.57957 -218.82979 729.50657
3225.0000 -226.90391 -217.87647 9.02745 2.61641 -218.07907 763.25696
3230.0000 -228.62666 -220.19488 8.43179 2.59777 -218.45895 756.69942
3235.0000 -230.18573 -220.14349 10.04224 2.49667 -220.51923 723.80243
3240.0000 -227.66881 -218.54621 9.12260 2.55187 -219.39445 761.36423
3245.0000 -226.72176 -217.01182 9.70994 2.62745 -217.85406 823.11613
3250.0000 -227.16337 -218.15285 9.01052 2.62690 -217.86529 787.54059
FREEZING PROCESS: loop number 14 T-loop= 755.00000000000000
main_MD> interactions number 14 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03648 -3.32377 -1.31754
force_rgl> df(natom) -4.35927 -1.00720 -2.89379
3255.0000 -226.91499 -218.20122 8.71377 2.62051 -217.99551 796.07395
3260.0000 -227.15261 -219.35086 7.80175 2.58726 -218.67313 758.60339
3265.0000 -228.79736 -220.33493 8.46243 2.54132 -219.60935 710.11367
3270.0000 -229.79813 -220.52524 9.27289 2.46379 -221.18931 684.37851
3275.0000 -229.67116 -221.01527 8.65589 2.49379 -220.57806 700.26528
3280.0000 -226.47098 -217.61944 8.85154 2.56887 -219.04793 743.93815
3285.0000 -226.13735 -218.99135 7.14600 2.62731 -217.85704 771.36916
3290.0000 -229.60285 -221.17411 8.42873 2.50876 -220.27285 714.52171
3295.0000 -229.79660 -223.26765 6.52896 2.42008 -222.08012 660.55445
3300.0000 -229.24969 -221.26332 7.98637 2.41725 -222.13781 665.98195
3305.0000 -226.87420 -219.33225 7.54195 2.51189 -220.20908 715.62216
3310.0000 -227.70441 -219.22883 8.47558 2.55711 -219.28748 729.43122
3315.0000 -228.50753 -218.91396 9.59357 2.55600 -219.31029 737.60487
3320.0000 -228.54652 -218.82808 9.71844 2.54477 -219.53902 726.87424
3325.0000 -228.68159 -219.58237 9.09922 2.50366 -220.37676 707.12470
3330.0000 -228.71050 -220.09993 8.61057 2.52178 -220.00751 747.72110
3335.0000 -229.39767 -219.55173 9.84595 2.53259 -219.78734 745.15717
3340.0000 -227.83990 -218.96422 8.87567 2.57170 -218.99020 760.45995
3345.0000 -226.65575 -217.88165 8.77409 2.65215 -217.35061 807.68783
3350.0000 -226.11681 -217.22064 8.89617 2.62774 -217.84821 767.03495
3355.0000 -227.03458 -216.98544 10.04915 2.67108 -216.96501 791.13849
3360.0000 -228.10016 -218.22525 9.87491 2.63704 -217.65861 798.49789
3365.0000 -228.34951 -218.92567 9.42384 2.59736 -218.46732 793.09130
3370.0000 -228.79957 -218.68990 10.10967 2.59204 -218.57566 783.86682
3375.0000 -226.75129 -218.01153 8.73976 2.54916 -219.44950 752.61981
3380.0000 -228.42610 -219.56777 8.85833 2.60912 -218.22774 774.96657
3385.0000 -227.47528 -219.64753 7.82775 2.54841 -219.46495 742.93436
3390.0000 -227.32469 -218.38674 8.93796 2.60976 -218.21452 749.29199
3395.0000 -228.14208 -218.94900 9.19308 2.59229 -218.57069 749.92205
3400.0000 -227.74204 -219.21913 8.52290 2.57975 -218.82613 754.21380
3405.0000 -228.73217 -220.21552 8.51665 2.51004 -220.24687 716.94353
3410.0000 -228.66091 -220.70101 7.95990 2.50136 -220.42366 725.39644
3415.0000 -228.56198 -219.58263 8.97935 2.51914 -220.06146 722.72507
3420.0000 -228.71975 -218.65666 10.06308 2.57562 -218.91033 748.06875
3425.0000 -227.77780 -218.94462 8.83318 2.63038 -217.79447 786.45913
3430.0000 -228.12573 -219.53152 8.59420 2.56278 -219.17193 738.94242
3435.0000 -227.22386 -217.35230 9.87156 2.59262 -218.56380 763.25195
3440.0000 -226.96549 -216.48812 10.47738 2.63328 -217.73518 764.23694
3445.0000 -225.99335 -217.28308 8.71027 2.67571 -216.87047 781.43430
3450.0000 -227.36244 -218.05657 9.30587 2.64156 -217.56661 770.74445
3455.0000 -226.61602 -218.48377 8.13225 2.60180 -218.37679 770.93030
3460.0000 -229.65490 -221.65417 8.00073 2.48254 -220.80732 700.48148
3465.0000 -227.93696 -218.97575 8.96122 2.49940 -220.46363 712.79464
3470.0000 -227.95364 -218.82555 9.12809 2.56401 -219.14700 747.39915
3475.0000 -226.80938 -218.50128 8.30810 2.60175 -218.37791 761.78632
3480.0000 -227.49959 -218.83572 8.66386 2.59466 -218.52231 771.72570
3485.0000 -227.98602 -219.35241 8.63361 2.59758 -218.46290 776.07181
3490.0000 -229.49969 -221.23613 8.26356 2.51472 -220.15152 713.87628
3495.0000 -227.95135 -220.16522 7.78613 2.51489 -220.14795 708.68485
3500.0000 -227.03630 -218.20057 8.83573 2.57654 -218.89168 761.52754
FREEZING PROCESS: loop number 15 T-loop= 730.00000000000000
main_MD> interactions number 15 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.78429 -2.28424 -3.21482
force_rgl> df(natom) 3.88584 -0.42120 3.43219
3505.0000 -227.35077 -219.37317 7.97759 2.60190 -218.37471 780.83415
3510.0000 -229.13802 -218.93676 10.20126 2.55166 -219.39865 736.80841
3515.0000 -227.24789 -218.61933 8.62856 2.56849 -219.05572 761.99205
3520.0000 -227.78987 -217.69858 10.09129 2.56955 -219.03396 730.86622
3525.0000 -228.24707 -218.20804 10.03902 2.58988 -218.61984 770.92141
3530.0000 -226.89595 -217.73775 9.15820 2.62717 -217.85983 771.31236
3535.0000 -226.93485 -217.34404 9.59081 2.60740 -218.26270 773.76455
3540.0000 -226.97505 -217.77487 9.20018 2.63316 -217.73774 791.69634
3545.0000 -227.19576 -219.50868 7.68708 2.59823 -218.44956 779.50820
3550.0000 -227.96433 -218.70355 9.26078 2.55949 -219.23913 744.09834
3555.0000 -228.28573 -220.58241 7.70332 2.52740 -219.89300 725.58674
3560.0000 -229.34545 -220.72143 8.62402 2.51112 -220.22488 720.05895
3565.0000 -229.27398 -221.00943 8.26455 2.48932 -220.66905 717.57301
3570.0000 -230.65388 -222.22662 8.42727 2.44328 -221.60733 668.00821
3575.0000 -228.36143 -220.97700 7.38443 2.40835 -222.31925 656.75141
3580.0000 -228.30880 -219.18623 9.12257 2.50341 -220.38196 716.82365
3585.0000 -229.12857 -220.65034 8.47824 2.56046 -219.21934 765.60934
3590.0000 -228.13474 -220.01361 8.12113 2.53305 -219.77797 715.35509
3595.0000 -227.90041 -219.63293 8.26748 2.50712 -220.30627 696.36311
3600.0000 -229.28516 -221.59766 7.68751 2.52633 -219.91476 712.05069
3605.0000 -228.26697 -219.67590 8.59107 2.51467 -220.15243 694.38128
3610.0000 -229.90019 -220.52154 9.37865 2.51951 -220.05390 725.86212
3615.0000 -228.70057 -219.67352 9.02705 2.51340 -220.17845 726.14819
3620.0000 -228.09277 -219.16963 8.92314 2.55344 -219.36242 768.37897
3625.0000 -227.86072 -219.95023 7.91048 2.57373 -218.94887 770.59010
3630.0000 -228.33293 -219.82881 8.50412 2.51230 -220.20073 716.09986
3635.0000 -229.04553 -221.18229 7.86325 2.50223 -220.40606 695.71189
3640.0000 -230.23038 -221.66464 8.56574 2.42461 -221.98793 666.57731
3645.0000 -230.22856 -221.14310 9.08545 2.46106 -221.24503 689.48425
3650.0000 -226.68173 -217.64327 9.03845 2.54111 -219.61357 734.38363
3655.0000 -228.20801 -219.34043 8.86758 2.59734 -218.46767 760.67036
3660.0000 -227.59586 -218.36264 9.23322 2.60161 -218.38069 774.40583
3665.0000 -227.65011 -219.29641 8.35370 2.55131 -219.40577 723.41969
3670.0000 -230.18969 -221.05994 9.12974 2.50366 -220.37685 733.82078
3675.0000 -229.32302 -220.70195 8.62107 2.44361 -221.60064 681.78345
3680.0000 -226.70481 -217.42043 9.28438 2.54132 -219.60943 743.23181
3685.0000 -228.68608 -218.76979 9.91630 2.60422 -218.32751 769.55456
3690.0000 -227.51444 -218.00698 9.50746 2.56934 -219.03831 748.08840
3695.0000 -228.25230 -218.12925 10.12305 2.60030 -218.40742 765.58807
3700.0000 -228.06524 -220.12244 7.94280 2.55569 -219.31646 751.51861
3705.0000 -228.66498 -219.70571 8.95926 2.55810 -219.26749 743.98216
3710.0000 -227.34994 -219.40512 7.94482 2.57619 -218.89870 742.61853
3715.0000 -228.60156 -218.98804 9.61352 2.55574 -219.31554 738.72601
3720.0000 -226.92684 -218.22948 8.69736 2.60076 -218.39797 770.28989
3725.0000 -226.62108 -216.84994 9.77114 2.67638 -216.85696 825.83329
3730.0000 -227.21000 -218.72449 8.48552 2.66105 -217.16932 793.27884
3735.0000 -228.04349 -216.90684 11.13665 2.60776 -218.25529 754.27569
3740.0000 -228.32396 -219.48449 8.83946 2.58542 -218.71058 768.80072
3745.0000 -228.50486 -219.82499 8.67988 2.53966 -219.64314 745.88277
3750.0000 -228.48896 -218.97587 9.51310 2.49617 -220.52948 724.76395
FREEZING PROCESS: loop number 16 T-loop= 705.00000000000000
main_MD> interactions number 16 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.07993 -0.59334 -1.28321
force_rgl> df(natom) 2.89445 -5.37657 -5.46508
3755.0000 -228.27316 -219.92691 8.34625 2.55843 -219.26073 726.30717
3760.0000 -228.49483 -220.89522 7.59961 2.49763 -220.49975 699.63011
3765.0000 -228.48730 -219.50297 8.98433 2.52749 -219.89120 715.53475
3770.0000 -228.71411 -220.71739 7.99672 2.52136 -220.01620 725.09728
3775.0000 -229.52381 -221.50203 8.02177 2.46462 -221.17238 688.58207
3780.0000 -231.04495 -224.17218 6.87277 2.36902 -223.12078 635.68738
3785.0000 -228.88965 -220.84667 8.04298 2.40253 -222.43779 645.85997
3790.0000 -228.89789 -221.83242 7.06546 2.43294 -221.81808 683.94382
3795.0000 -228.86062 -220.36904 8.49158 2.47421 -220.97707 693.21032
3800.0000 -229.59554 -221.28053 8.31501 2.45620 -221.34411 695.82095
3805.0000 -229.39358 -221.13298 8.26060 2.46321 -221.20127 691.16489
3810.0000 -230.34704 -222.77753 7.56951 2.47705 -220.91908 702.40267
3815.0000 -229.69808 -221.54141 8.15668 2.39514 -222.58840 662.53221
3820.0000 -229.18617 -221.35166 7.83451 2.45325 -221.40421 678.25803
3825.0000 -229.91294 -223.41571 6.49723 2.39837 -222.52255 647.79559
3830.0000 -231.56039 -223.24359 8.31680 2.38211 -222.85404 646.99676
3835.0000 -230.21206 -221.78367 8.42839 2.40208 -222.44690 672.40281
3840.0000 -229.12731 -222.00182 7.12549 2.43392 -221.79807 672.96995
3845.0000 -230.69694 -221.66184 9.03510 2.44389 -221.59500 674.52127
3850.0000 -229.12905 -221.41840 7.71064 2.41013 -222.28288 661.94938
3855.0000 -230.70849 -221.71731 8.99118 2.45529 -221.36251 697.92703
3860.0000 -229.15598 -220.18329 8.97269 2.44027 -221.66861 694.48891
3865.0000 -229.23195 -221.13439 8.09755 2.47648 -220.93082 699.46742
3870.0000 -230.38858 -220.62496 9.76362 2.46188 -221.22823 711.57913
3875.0000 -230.59950 -222.43775 8.16175 2.46326 -221.20015 709.38948
3880.0000 -230.40555 -221.89950 8.50605 2.39546 -222.58196 650.19493
3885.0000 -228.03388 -220.81855 7.21533 2.46806 -221.10231 693.10508
3890.0000 -228.93742 -219.84902 9.08839 2.52526 -219.93658 746.27963
3895.0000 -228.54075 -219.82949 8.71126 2.50301 -220.39013 729.04751
3900.0000 -229.16716 -220.80937 8.35778 2.51304 -220.18568 704.57168
3905.0000 -229.57180 -220.03412 9.53768 2.48511 -220.75486 704.15887
3910.0000 -228.22494 -220.89877 7.32617 2.51483 -220.14926 715.89300
3915.0000 -230.27396 -221.74056 8.53340 2.48927 -220.67008 710.90042
3920.0000 -228.86449 -219.64278 9.22171 2.50652 -220.31850 738.91756
3925.0000 -228.96772 -220.60883 8.35889 2.50495 -220.35058 722.19861
3930.0000 -230.47996 -221.32478 9.15518 2.51398 -220.16662 731.94206
3935.0000 -228.59576 -220.56583 8.02992 2.45258 -221.41782 678.73793
3940.0000 -228.39935 -220.39008 8.00927 2.49722 -220.50807 721.49041
3945.0000 -229.84149 -221.06685 8.77464 2.50439 -220.36190 704.53083
3950.0000 -229.06480 -221.00050 8.06430 2.48750 -220.70614 688.20206
3955.0000 -228.88987 -221.12071 7.76916 2.45375 -221.39395 650.00184
3960.0000 -229.46444 -221.41188 8.05255 2.46617 -221.14098 684.90240
3965.0000 -229.04314 -221.08483 7.95830 2.46788 -221.10602 707.05849
3970.0000 -229.39306 -221.52121 7.87185 2.45788 -221.30987 682.65609
3975.0000 -230.00696 -222.41626 7.59070 2.43347 -221.80723 687.19233
3980.0000 -231.22706 -225.01778 6.20928 2.33641 -223.78538 613.62024
3985.0000 -230.95565 -222.27022 8.68543 2.38825 -222.72883 637.60128
3990.0000 -229.25429 -221.52197 7.73233 2.43905 -221.69347 684.26013
3995.0000 -229.21539 -220.50469 8.71070 2.47760 -220.90803 699.33297
4000.0000 -227.86540 -219.41358 8.45182 2.53373 -219.76400 725.03795
FREEZING PROCESS: loop number 17 T-loop= 680.00000000000000
main_MD> interactions number 17 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34363 1.30676 -2.89969
force_rgl> df(natom) -5.09121 -0.97704 3.89252
4005.0000 -230.19264 -221.34969 8.84295 2.52327 -219.97725 747.73779
4010.0000 -230.48936 -222.21727 8.27210 2.43230 -221.83122 674.52914
4015.0000 -229.96301 -221.67158 8.29143 2.46215 -221.22289 690.83146
4020.0000 -229.71867 -221.53147 8.18720 2.42032 -222.07537 663.04294
4025.0000 -229.54515 -221.21202 8.33314 2.43173 -221.84267 683.18305
4030.0000 -229.48245 -222.66425 6.81820 2.43337 -221.80941 676.99697
4035.0000 -228.66115 -220.88265 7.77849 2.43760 -221.72315 673.62349
4040.0000 -229.92090 -221.99835 7.92255 2.47543 -220.95212 683.94100
4045.0000 -228.93861 -220.10984 8.82878 2.47287 -221.00438 708.56094
4050.0000 -229.59685 -220.72696 8.86989 2.46661 -221.13188 696.39395
4055.0000 -231.06767 -223.31344 7.75424 2.42277 -222.02543 675.17527
4060.0000 -231.16952 -222.65471 8.51481 2.35876 -223.32983 638.41302
4065.0000 -231.37910 -223.66616 7.71294 2.36726 -223.15665 648.24368
4070.0000 -229.52870 -222.87711 6.65159 2.34457 -223.61898 634.71481
4075.0000 -231.29327 -224.35008 6.94319 2.34150 -223.68166 641.31713
4080.0000 -230.31858 -223.57787 6.74071 2.31656 -224.18978 614.68057
4085.0000 -229.67872 -222.21200 7.46672 2.38863 -222.72111 645.31828
4090.0000 -228.69115 -220.17139 8.51976 2.47903 -220.87884 712.42034
4095.0000 -230.26461 -220.92069 9.34392 2.48807 -220.69459 708.52693
4100.0000 -229.77975 -222.06058 7.71916 2.47196 -221.02289 691.70267
4105.0000 -228.94606 -221.98444 6.96162 2.45991 -221.26849 659.34258
4110.0000 -229.86825 -221.50830 8.35995 2.43899 -221.69474 675.26624
4115.0000 -229.16474 -221.51162 7.65312 2.42219 -222.03724 666.03437
4120.0000 -229.38505 -220.63535 8.74969 2.46173 -221.23146 682.63003
4125.0000 -228.72807 -220.71885 8.00921 2.52706 -219.90004 722.22421
4130.0000 -230.13854 -222.36979 7.76876 2.47513 -220.95833 679.23558
4135.0000 -229.87047 -222.13064 7.73983 2.44258 -221.62170 670.78614
4140.0000 -229.56645 -221.65399 7.91245 2.43829 -221.70896 681.67405
4145.0000 -230.80846 -222.07695 8.73151 2.44760 -221.51941 674.91288
4150.0000 -230.19603 -221.38510 8.81093 2.44811 -221.50897 676.51699
4155.0000 -229.43284 -221.41858 8.01425 2.45313 -221.40672 681.77723
4160.0000 -229.52235 -221.99654 7.52581 2.43750 -221.72523 685.39716
4165.0000 -229.84390 -222.99262 6.85128 2.39000 -222.69322 644.27726
4170.0000 -230.58543 -223.81462 6.77081 2.34021 -223.70778 601.66103
4175.0000 -232.25172 -224.60102 7.65070 2.31078 -224.30762 593.74440
4180.0000 -230.60211 -223.24240 7.35971 2.33494 -223.81529 600.41345
4185.0000 -230.50281 -222.89566 7.60715 2.39166 -222.65928 647.21266
4190.0000 -229.41059 -221.86661 7.54397 2.45603 -221.34748 687.10189
4195.0000 -229.19793 -221.20513 7.99280 2.44081 -221.65778 666.57771
4200.0000 -230.20323 -221.92096 8.28227 2.46970 -221.06904 693.98958
4205.0000 -229.97688 -222.20602 7.77086 2.41364 -222.21149 649.89619
4210.0000 -230.33235 -221.48294 8.84941 2.39177 -222.65709 634.28021
4215.0000 -230.11896 -223.33634 6.78261 2.41658 -222.15155 638.86015
4220.0000 -229.92272 -222.05270 7.87002 2.40756 -222.33527 646.12400
4225.0000 -229.97235 -222.39418 7.57817 2.42241 -222.03268 657.90286
4230.0000 -230.81683 -223.23390 7.58293 2.34899 -223.52901 612.01738
4235.0000 -231.16824 -224.05502 7.11322 2.35253 -223.45674 624.50427
4240.0000 -230.49348 -222.61838 7.87510 2.36588 -223.18468 618.63682
4245.0000 -230.65522 -221.68010 8.97512 2.39965 -222.49650 653.61750
4250.0000 -229.06655 -220.65075 8.41581 2.44625 -221.54691 691.58723
FREEZING PROCESS: loop number 18 T-loop= 655.00000000000000
main_MD> interactions number 18 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.75994 -0.35874 1.43136
force_rgl> df(natom) 0.09571 0.15039 1.58216
4255.0000 -228.05700 -220.03783 8.01917 2.50585 -220.33223 714.41561
4260.0000 -230.16407 -221.76336 8.40071 2.46780 -221.10768 692.70287
4265.0000 -229.75625 -222.06811 7.68815 2.39955 -222.49858 653.80786
4270.0000 -229.82987 -222.08139 7.74849 2.41597 -222.16395 646.43850
4275.0000 -229.52128 -221.70728 7.81401 2.39022 -222.68877 627.61125
4280.0000 -229.78619 -221.44510 8.34109 2.42986 -221.88082 669.08712
4285.0000 -229.82440 -220.76638 9.05802 2.48363 -220.78505 711.31579
4290.0000 -230.83678 -222.37912 8.45766 2.45493 -221.37002 694.56817
4295.0000 -230.32100 -222.31575 8.00525 2.42869 -221.90479 670.53447
4300.0000 -228.52582 -220.71173 7.81409 2.46001 -221.26645 704.74159
4305.0000 -228.42709 -221.02114 7.40595 2.49741 -220.50430 713.04781
4310.0000 -229.60390 -221.67375 7.93015 2.45809 -221.30555 681.02587
4315.0000 -229.87352 -221.38389 8.48963 2.47441 -220.97290 706.71399
4320.0000 -231.41808 -223.30569 8.11239 2.40429 -222.40196 660.32435
4325.0000 -231.37501 -223.25270 8.12231 2.38039 -222.88893 636.10487
4330.0000 -230.65849 -222.99081 7.66768 2.34776 -223.55404 625.42899
4335.0000 -229.83762 -222.40544 7.43218 2.40429 -222.40199 655.93326
4340.0000 -229.65389 -222.30522 7.34866 2.39313 -222.62930 644.54561
4345.0000 -230.85852 -223.18623 7.67229 2.41651 -222.15297 664.78313
4350.0000 -229.66556 -221.72293 7.94262 2.45049 -221.46047 692.29569
4355.0000 -229.42830 -222.27246 7.15584 2.43696 -221.73613 678.30039
4360.0000 -229.61664 -220.93671 8.67993 2.42298 -222.02111 649.63431
4365.0000 -229.69520 -221.63326 8.06194 2.44625 -221.54687 678.18345
4370.0000 -230.99054 -223.15300 7.83754 2.41661 -222.15094 661.70857
4375.0000 -231.64498 -222.47994 9.16504 2.41932 -222.09573 670.06765
4380.0000 -230.21035 -222.46818 7.74217 2.35629 -223.38023 622.67427
4385.0000 -230.29731 -223.55742 6.73988 2.35105 -223.48704 631.56011
4390.0000 -231.34903 -224.06364 7.28539 2.33962 -223.71986 637.17380
4395.0000 -230.51693 -223.72106 6.79588 2.29782 -224.57184 621.73458
4400.0000 -231.02707 -222.98912 8.03794 2.36457 -223.21143 612.84946
4405.0000 -229.81306 -222.23631 7.57675 2.37037 -223.09322 631.17351
4410.0000 -231.43063 -223.68904 7.74159 2.37318 -223.03590 647.28115
4415.0000 -230.06664 -222.26504 7.80159 2.38997 -222.69371 658.08182
4420.0000 -230.58379 -222.22789 8.35591 2.42695 -221.94012 663.61906
4425.0000 -229.64056 -223.13124 6.50932 2.40014 -222.48661 663.36251
4430.0000 -231.50237 -222.45965 9.04272 2.36649 -223.17231 632.76359
4435.0000 -231.27117 -222.66233 8.60884 2.41040 -222.27750 660.49564
4440.0000 -230.61524 -223.47191 7.14333 2.36723 -223.15714 619.62024
4445.0000 -230.77566 -222.21564 8.56002 2.39343 -222.62327 636.77973
4450.0000 -230.39791 -222.09037 8.30754 2.43138 -221.84980 669.63329
4455.0000 -228.76261 -221.16815 7.59446 2.44011 -221.67187 666.42413
4460.0000 -229.73973 -223.10207 6.63765 2.43870 -221.70071 654.14574
4465.0000 -229.43783 -222.06742 7.37041 2.43435 -221.78925 665.36423
4470.0000 -229.71045 -221.22742 8.48303 2.44565 -221.55915 666.84834
4475.0000 -228.57649 -221.06854 7.50794 2.44906 -221.48952 693.13829
4480.0000 -228.81058 -219.85794 8.95263 2.51844 -220.07559 713.16675
4485.0000 -229.84687 -221.46324 8.38363 2.51322 -220.18201 716.60602
4490.0000 -230.09807 -221.82737 8.27070 2.42981 -221.88194 660.82829
4495.0000 -229.30798 -220.62408 8.68389 2.47029 -221.05684 684.70574
4500.0000 -228.16657 -220.86764 7.29893 2.46028 -221.26084 679.73646
FREEZING PROCESS: loop number 19 T-loop= 630.00000000000000
main_MD> interactions number 19 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01479 0.55817 0.13872
force_rgl> df(natom) -0.91233 0.95861 -0.49856
4505.0000 -229.78939 -222.96187 6.82752 2.40107 -222.46751 632.34241
4510.0000 -230.90797 -223.60479 7.30318 2.37032 -223.09424 619.69823
4515.0000 -231.46877 -224.57691 6.89186 2.31985 -224.12284 617.92633
4520.0000 -231.48456 -224.26377 7.22079 2.31024 -224.31857 614.10518
4525.0000 -231.95488 -224.39982 7.55506 2.30826 -224.35902 606.65545
4530.0000 -231.66155 -223.65217 8.00938 2.33572 -223.79938 627.39503
4535.0000 -229.75843 -223.11248 6.64596 2.36761 -223.14941 634.24539
4540.0000 -231.00035 -222.54178 8.45857 2.38602 -222.77430 629.98310
4545.0000 -230.12185 -222.87242 7.24942 2.42081 -222.06520 664.58066
4550.0000 -230.20583 -222.90896 7.29687 2.36326 -223.23804 632.09614
4555.0000 -231.29859 -223.39784 7.90075 2.36707 -223.16040 625.17079
4560.0000 -231.05200 -223.12423 7.92778 2.33479 -223.81828 608.98013
4565.0000 -230.20583 -223.13284 7.07299 2.35934 -223.31801 619.98238
4570.0000 -229.55733 -222.66119 6.89614 2.40023 -222.48479 625.54166
4575.0000 -230.79110 -223.22476 7.56634 2.37815 -222.93472 619.63607
4580.0000 -229.58928 -221.35186 8.23742 2.38718 -222.75066 640.51674
4585.0000 -229.62914 -222.14403 7.48511 2.40437 -222.40041 639.65174
4590.0000 -230.43242 -222.25112 8.18129 2.39244 -222.64345 625.26533
4595.0000 -227.91470 -220.26315 7.65155 2.45669 -221.33407 683.43472
4600.0000 -229.94530 -220.96628 8.97902 2.47642 -220.93189 693.91644
4605.0000 -231.00393 -222.25647 8.74746 2.45128 -221.44427 656.81030
4610.0000 -231.15661 -223.13663 8.01998 2.41455 -222.19290 654.68105
4615.0000 -229.38887 -222.13411 7.25476 2.40850 -222.31623 649.43962
4620.0000 -230.03236 -221.87052 8.16184 2.39580 -222.57501 665.76452
4625.0000 -229.88203 -221.53745 8.34458 2.46259 -221.21377 699.98810
4630.0000 -229.54293 -220.89805 8.64488 2.45436 -221.38150 675.51236
4635.0000 -229.01693 -222.36021 6.65672 2.39722 -222.54602 642.07967
4640.0000 -231.49036 -223.70380 7.78656 2.36952 -223.11051 640.92436
4645.0000 -231.07737 -224.34778 6.72959 2.32892 -223.93801 636.87954
4650.0000 -229.60055 -222.29730 7.30325 2.35321 -223.44300 614.09249
4655.0000 -230.64173 -223.41437 7.22736 2.39153 -222.66194 647.94562
4660.0000 -230.30294 -223.41252 6.89042 2.34380 -223.63474 624.67386
4665.0000 -231.64335 -223.87802 7.76534 2.37130 -223.07423 643.82893
4670.0000 -230.95633 -222.57247 8.38386 2.38428 -222.80981 653.52418
4675.0000 -230.12195 -221.95993 8.16202 2.41777 -222.12733 661.78560
4680.0000 -230.66258 -222.85438 7.80819 2.39792 -222.53181 630.71821
4685.0000 -230.52452 -222.79091 7.73360 2.39746 -222.54116 645.99543
4690.0000 -230.58134 -222.31725 8.26409 2.41021 -222.28131 651.27962
4695.0000 -230.15163 -222.64499 7.50664 2.39383 -222.61506 674.07730
4700.0000 -230.46163 -223.63375 6.82788 2.37293 -223.04109 663.01607
4705.0000 -232.63002 -225.01049 7.61953 2.31548 -224.21186 623.38720
4710.0000 -232.24191 -225.05094 7.19097 2.26728 -225.19424 584.62344
4715.0000 -229.78028 -222.95523 6.82505 2.34608 -223.58828 642.18819
4720.0000 -230.78005 -223.65625 7.12380 2.36016 -223.30135 614.96016
4725.0000 -232.30010 -224.60302 7.69708 2.35706 -223.36452 630.26526
4730.0000 -231.50419 -224.11790 7.38628 2.27769 -224.98197 594.82970
4735.0000 -231.17314 -224.79041 6.38274 2.30444 -224.43676 616.99717
4740.0000 -231.56801 -224.19732 7.37069 2.29254 -224.67935 617.76043
4745.0000 -232.09103 -223.58412 8.50691 2.33179 -223.87952 619.79303
4750.0000 -230.56115 -222.88102 7.68013 2.35088 -223.49048 629.74194
FREEZING PROCESS: loop number 20 T-loop= 605.00000000000000
main_MD> interactions number 20 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62215 0.09992 -1.58723
force_rgl> df(natom) 0.59530 1.33139 2.60854
4755.0000 -230.87816 -223.77786 7.10031 2.35098 -223.48848 607.79048
4760.0000 -230.68728 -223.20558 7.48171 2.37793 -222.93912 625.88396
4765.0000 -232.05644 -224.84438 7.21206 2.32440 -224.03004 612.42599
4770.0000 -231.22828 -224.53217 6.69610 2.31725 -224.17583 609.38271
4775.0000 -230.90692 -223.53962 7.36730 2.33409 -223.83257 614.93497
4780.0000 -230.78467 -223.66129 7.12338 2.37508 -222.99727 638.44136
4785.0000 -230.61339 -223.23424 7.37914 2.33998 -223.71263 587.97607
4790.0000 -231.97920 -225.31375 6.66544 2.31266 -224.26938 585.58508
4795.0000 -231.19136 -224.24016 6.95119 2.28116 -224.91124 563.99785
4800.0000 -230.87818 -225.03236 5.84582 2.31147 -224.29355 564.00636
4805.0000 -230.95722 -222.90268 8.05454 2.31178 -224.28720 581.18740
4810.0000 -231.32675 -223.00265 8.32410 2.40026 -222.48412 653.52367
4815.0000 -230.33880 -222.90022 7.43858 2.37451 -223.00895 647.43356
4820.0000 -230.99967 -224.36451 6.63516 2.32058 -224.10799 604.20608
4825.0000 -230.44824 -223.87621 6.57204 2.31002 -224.32321 561.25227
4830.0000 -230.09391 -222.34866 7.74525 2.37294 -223.04091 621.85692
4835.0000 -230.29147 -222.92733 7.36414 2.35955 -223.31374 607.21413
4840.0000 -230.62938 -223.23360 7.39578 2.37585 -222.98158 627.01147
4845.0000 -229.55185 -221.98996 7.56189 2.37176 -223.06487 630.59705
4850.0000 -229.84332 -222.49810 7.34522 2.44519 -221.56847 653.54832
4855.0000 -230.39711 -222.23704 8.16007 2.39024 -222.68827 636.29875
4860.0000 -229.16785 -221.93513 7.23273 2.43413 -221.79391 655.04227
4865.0000 -230.78485 -222.85402 7.93083 2.42973 -221.88349 649.37460
4870.0000 -230.26680 -222.66634 7.60046 2.37933 -222.91062 653.55443
4875.0000 -230.92445 -224.16954 6.75491 2.37443 -223.01051 631.03070
4880.0000 -231.48898 -224.47134 7.01764 2.30939 -224.33597 587.56668
4885.0000 -230.30860 -223.55224 6.75636 2.32206 -224.07780 601.77858
4890.0000 -230.15275 -223.02077 7.13198 2.36632 -223.17581 620.52064
4895.0000 -230.66461 -222.61561 8.04900 2.39476 -222.59620 635.14858
4900.0000 -232.39687 -226.01223 6.38464 2.32030 -224.11365 615.87653
4905.0000 -232.09384 -224.72575 7.36809 2.26885 -225.16224 589.46978
4910.0000 -232.00441 -224.40220 7.60220 2.28808 -224.77015 590.78894
4915.0000 -230.28659 -223.03100 7.25559 2.32098 -224.09968 599.51659
4920.0000 -230.08041 -222.28146 7.79895 2.42635 -221.95249 668.28884
4925.0000 -229.81616 -223.21221 6.60395 2.41318 -222.22077 657.89275
4930.0000 -232.76599 -226.46406 6.30193 2.28046 -224.92559 571.96287
4935.0000 -232.51599 -225.18940 7.32659 2.27895 -224.95625 597.95198
4940.0000 -231.45995 -225.19118 6.26876 2.24441 -225.66026 576.16533
4945.0000 -232.40922 -225.34157 7.06765 2.25548 -225.43463 579.35793
4950.0000 -231.87592 -225.06309 6.81283 2.29651 -224.59853 610.38183
4955.0000 -231.77623 -226.42325 5.35299 2.25084 -225.52911 571.55126
4960.0000 -232.37231 -226.07705 6.29526 2.21094 -226.34222 572.88453
4965.0000 -232.88724 -226.30868 6.57856 2.22776 -225.99950 595.18412
4970.0000 -233.64753 -226.28159 7.36594 2.22912 -225.97174 601.21581
4975.0000 -231.93626 -225.22471 6.71155 2.26525 -225.23555 621.59786
4980.0000 -232.28208 -225.21626 7.06581 2.26282 -225.28508 612.23312
4985.0000 -231.81874 -224.64587 7.17287 2.27743 -224.98720 604.65070
4990.0000 -230.80973 -224.05781 6.75192 2.30531 -224.41921 593.87670
4995.0000 -232.13863 -224.22017 7.91847 2.29920 -224.54355 587.11135
5000.0000 -231.63872 -224.02683 7.61188 2.31162 -224.29058 609.11829
FREEZING PROCESS: loop number 21 T-loop= 580.00000000000000
main_MD> interactions number 21 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74483 1.10778 -1.37170
force_rgl> df(natom) 0.22605 1.33809 0.74439
5005.0000 -232.08038 -225.64696 6.43342 2.31447 -224.23242 613.35703
5010.0000 -232.65431 -225.57132 7.08300 2.25720 -225.39967 563.32765
5015.0000 -231.25401 -225.31870 5.93531 2.26628 -225.21459 554.91100
5020.0000 -231.13833 -224.69387 6.44447 2.25708 -225.40203 564.33673
5025.0000 -232.06572 -224.67741 7.38831 2.29323 -224.66520 583.22604
5030.0000 -232.10541 -225.74134 6.36407 2.26805 -225.17841 584.01271
5035.0000 -231.86638 -224.90351 6.96288 2.22414 -226.07329 547.80518
5040.0000 -231.14821 -224.59131 6.55690 2.28156 -224.90318 581.65586
5045.0000 -231.42015 -223.89400 7.52615 2.30021 -224.52299 587.80783
5050.0000 -231.26105 -224.53342 6.72763 2.29687 -224.59107 597.90462
5055.0000 -231.26215 -224.62400 6.63815 2.29936 -224.54028 607.90734
5060.0000 -231.12275 -225.13813 5.98462 2.27767 -224.98233 586.69300
5065.0000 -232.10607 -226.02952 6.07655 2.28084 -224.91773 570.05745
5070.0000 -231.58540 -225.29338 6.29203 2.25730 -225.39757 561.53910
5075.0000 -231.45834 -224.60584 6.85250 2.26069 -225.32849 563.54199
5080.0000 -231.45338 -224.29112 7.16226 2.29216 -224.68716 566.71825
5085.0000 -230.84884 -223.16212 7.68671 2.36092 -223.28580 626.44254
5090.0000 -230.61886 -222.32643 8.29243 2.38010 -222.89499 612.72610
5095.0000 -231.81652 -225.08095 6.73557 2.32955 -223.92521 609.74224
5100.0000 -232.48010 -226.31113 6.16897 2.26263 -225.28898 563.91619
5105.0000 -232.89748 -225.98907 6.90842 2.24382 -225.67217 549.69789
5110.0000 -232.52380 -225.59040 6.93341 2.22524 -226.05094 544.75324
5115.0000 -232.87318 -226.62799 6.24519 2.24244 -225.70034 577.26187
5120.0000 -232.60377 -226.05060 6.55317 2.20571 -226.44894 541.87136
5125.0000 -233.12640 -226.74023 6.38616 2.20698 -226.42311 535.43510
5130.0000 -232.86606 -226.00557 6.86049 2.22402 -226.07576 547.90137
5135.0000 -233.22618 -226.79285 6.43333 2.20721 -226.41825 536.92035
5140.0000 -233.03691 -224.88415 8.15276 2.23980 -225.75425 548.46877
5145.0000 -233.51198 -227.60394 5.90803 2.24453 -225.65779 557.67951
5150.0000 -233.72796 -227.85556 5.87240 2.14254 -227.73635 508.39224
5155.0000 -233.00107 -225.78606 7.21501 2.17327 -227.11008 518.65000
5160.0000 -231.70715 -225.20246 6.50469 2.24722 -225.60290 563.21313
5165.0000 -232.34288 -226.07792 6.26496 2.26152 -225.31158 575.61807
5170.0000 -232.97824 -226.38669 6.59155 2.24855 -225.57590 571.88935
5175.0000 -233.26053 -227.42712 5.83341 2.17714 -227.03118 519.79176
5180.0000 -232.78063 -226.67372 6.10691 2.19594 -226.64806 526.95031
5185.0000 -231.68717 -224.76606 6.92111 2.24643 -225.61910 553.13003
5190.0000 -234.08035 -227.41033 6.67002 2.19555 -226.65604 538.92881
5195.0000 -233.33485 -226.53400 6.80085 2.17049 -227.16663 522.80428
5200.0000 -233.78470 -226.18516 7.59954 2.20898 -226.38225 558.07108
5205.0000 -233.09996 -225.94372 7.15624 2.22567 -226.04211 580.48186
5210.0000 -232.83512 -226.41082 6.42430 2.24103 -225.72911 596.55806
5215.0000 -233.88277 -227.49473 6.38804 2.16807 -227.21596 538.43943
5220.0000 -233.80340 -226.77118 7.03222 2.16565 -227.26532 538.81692
5225.0000 -231.93849 -224.90401 7.03447 2.24551 -225.63782 571.90503
5230.0000 -231.94742 -223.70573 8.24168 2.29974 -224.53260 623.14883
5235.0000 -231.34785 -223.88181 7.46604 2.34042 -223.70359 629.93812
5240.0000 -229.77419 -223.60142 6.17277 2.32233 -224.07228 608.15507
5245.0000 -231.05975 -223.85374 7.20601 2.35699 -223.36597 619.22247
5250.0000 -233.64812 -226.71068 6.93744 2.26410 -225.25885 592.33425
FREEZING PROCESS: loop number 22 T-loop= 555.00000000000000
main_MD> interactions number 22 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39277 0.10128 -1.07168
force_rgl> df(natom) 0.70675 0.87435 1.63041
5255.0000 -232.45830 -226.68485 5.77345 2.18992 -226.77065 539.27647
5260.0000 -232.34384 -224.84233 7.50151 2.21348 -226.29058 542.70031
5265.0000 -232.70221 -226.59025 6.11196 2.24563 -225.63539 557.62522
5270.0000 -232.61364 -225.85893 6.75471 2.21850 -226.18831 545.56619
5275.0000 -232.44431 -225.29253 7.15178 2.22744 -226.00611 552.35042
5280.0000 -231.71209 -224.67999 7.03210 2.23191 -225.91486 547.23030
5285.0000 -230.72033 -223.55025 7.17009 2.33571 -223.79955 618.98347
5290.0000 -232.43658 -225.96085 6.47573 2.29117 -224.70735 588.05489
5295.0000 -232.58414 -226.57695 6.00719 2.19835 -226.59898 527.80048
5300.0000 -233.07312 -226.55045 6.52266 2.20642 -226.43439 543.91027
5305.0000 -232.01324 -225.52391 6.48933 2.21403 -226.27931 553.72720
5310.0000 -233.31017 -226.75452 6.55565 2.19632 -226.64028 523.94573
5315.0000 -233.64446 -226.71316 6.93130 2.19172 -226.73395 515.29128
5320.0000 -234.23075 -227.90176 6.32899 2.19222 -226.72385 546.35659
5325.0000 -233.05902 -226.33952 6.71950 2.19612 -226.64426 562.85153
5330.0000 -232.92661 -226.78606 6.14055 2.19180 -226.73248 542.78668
5335.0000 -232.09688 -225.53641 6.56047 2.22574 -226.04061 539.31278
5340.0000 -232.28235 -225.27657 7.00578 2.26322 -225.27680 575.12055
5345.0000 -231.97859 -225.89988 6.07871 2.23671 -225.81712 546.44702
5350.0000 -231.56292 -225.57625 5.98667 2.25857 -225.37167 557.93554
5355.0000 -232.89729 -225.94650 6.95078 2.29019 -224.72721 580.94128
5360.0000 -232.03065 -225.05089 6.97975 2.23715 -225.80820 540.17597
5365.0000 -231.50198 -224.85858 6.64340 2.27387 -225.05986 554.89417
5370.0000 -233.15647 -226.67079 6.48568 2.25800 -225.38325 567.96357
5375.0000 -233.78139 -227.34224 6.43915 2.19224 -226.72349 531.92460
5380.0000 -232.28134 -224.83392 7.44742 2.22200 -226.11689 537.85161
5385.0000 -233.09401 -226.22827 6.86574 2.21966 -226.16461 542.45423
5390.0000 -233.22398 -226.21681 7.00717 2.20719 -226.41866 518.07100
5395.0000 -233.55222 -226.86036 6.69185 2.21171 -226.32659 520.88383
5400.0000 -233.17324 -226.75892 6.41432 2.20124 -226.53997 514.42991
5405.0000 -233.47942 -227.72433 5.75509 2.18321 -226.90748 492.23724
5410.0000 -232.07375 -225.45766 6.61609 2.19699 -226.62670 503.58265
5415.0000 -232.11678 -225.45207 6.66472 2.26466 -225.24763 557.80661
5420.0000 -231.39233 -225.29499 6.09734 2.25087 -225.52857 552.70658
5425.0000 -232.47152 -225.55432 6.91720 2.25564 -225.43142 573.22195
5430.0000 -232.80282 -226.19462 6.60819 2.18335 -226.90449 525.76061
5435.0000 -232.10552 -225.52864 6.57688 2.23734 -225.80426 568.27939
5440.0000 -233.03443 -225.98686 7.04757 2.22498 -226.05618 564.76840
5445.0000 -232.46041 -226.38166 6.07875 2.23517 -225.84845 556.71048
5450.0000 -232.90057 -225.55413 7.34644 2.23602 -225.83114 541.61646
5455.0000 -231.21836 -225.41571 5.80265 2.25345 -225.47607 567.46495
5460.0000 -232.47322 -225.35521 7.11801 2.26975 -225.14376 602.35079
5465.0000 -231.34399 -225.06545 6.27854 2.26635 -225.21318 579.05842
5470.0000 -232.12489 -226.02090 6.10399 2.27875 -224.96029 590.75088
5475.0000 -231.39291 -224.81117 6.58173 2.27664 -225.00349 597.07728
5480.0000 -231.43794 -224.69302 6.74492 2.29872 -224.55338 594.12753
5485.0000 -232.55034 -226.09348 6.45686 2.22977 -225.95856 530.88803
5490.0000 -232.00637 -224.72548 7.28089 2.28245 -224.88492 607.57170
5495.0000 -232.63857 -226.36678 6.27180 2.22144 -226.12825 559.98839
5500.0000 -232.62829 -225.70811 6.92018 2.23513 -225.84943 552.74873
FREEZING PROCESS: loop number 23 T-loop= 530.00000000000000
main_MD> interactions number 23 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.75121 -0.48135 0.79416
force_rgl> df(natom) -0.07211 1.46558 -0.56079
5505.0000 -233.13354 -226.98383 6.14971 2.19209 -226.72650 554.50686
5510.0000 -234.02497 -227.33030 6.69467 2.16863 -227.20461 548.19581
5515.0000 -233.08246 -226.22108 6.86138 2.19949 -226.57557 564.21043
5520.0000 -233.26313 -226.38678 6.87636 2.22259 -226.10488 568.56596
5525.0000 -232.55215 -226.17428 6.37787 2.20599 -226.44315 544.14996
5530.0000 -232.90048 -225.84236 7.05813 2.23859 -225.77880 556.28910
5535.0000 -234.28813 -227.83216 6.45597 2.18252 -226.92144 557.83873
5540.0000 -233.33582 -227.42711 5.90871 2.16378 -227.30336 542.95601
5545.0000 -234.12402 -228.17591 5.94811 2.13547 -227.88036 505.62869
5550.0000 -233.46223 -227.31760 6.14464 2.14072 -227.77343 504.65792
5555.0000 -233.55572 -227.35948 6.19625 2.15178 -227.54787 516.26841
5560.0000 -232.95387 -226.32935 6.62452 2.18940 -226.78130 537.50084
5565.0000 -232.54909 -226.34984 6.19926 2.19456 -226.67605 532.59036
5570.0000 -232.88025 -226.60419 6.27606 2.21090 -226.34318 534.65649
5575.0000 -232.86549 -226.90164 5.96385 2.17764 -227.02093 504.31356
5580.0000 -233.52053 -227.17242 6.34810 2.17044 -227.16761 496.60406
5585.0000 -232.96438 -226.92198 6.04240 2.20538 -226.45568 532.29985
5590.0000 -233.62089 -226.68020 6.94069 2.20316 -226.50088 533.49628
5595.0000 -232.75111 -226.43798 6.31314 2.20768 -226.40876 534.44461
5600.0000 -233.76364 -227.81835 5.94530 2.20019 -226.56136 543.03730
5605.0000 -233.84604 -227.74363 6.10242 2.13590 -227.87155 504.24417
5610.0000 -233.16038 -227.56100 5.59938 2.13466 -227.89692 505.75456
5615.0000 -232.68617 -226.34466 6.34151 2.18674 -226.83550 527.39772
5620.0000 -232.97567 -226.56325 6.41242 2.19391 -226.68929 535.87529
5625.0000 -233.01359 -225.92652 7.08707 2.21530 -226.25342 550.12460
5630.0000 -233.68019 -227.76071 5.91948 2.18394 -226.89264 559.82845
5635.0000 -234.88286 -229.07458 5.80829 2.12699 -228.05318 528.91193
5640.0000 -234.18361 -227.69091 6.49270 2.12567 -228.08015 513.13197
5645.0000 -234.84209 -228.47867 6.36342 2.12691 -228.05482 522.80845
5650.0000 -234.57944 -228.77769 5.80175 2.10006 -228.60193 499.35998
5655.0000 -234.68460 -228.14469 6.53991 2.10525 -228.49618 492.22071
5660.0000 -233.60971 -227.68423 5.92548 2.15579 -227.46619 542.40085
5665.0000 -234.45533 -227.66435 6.79098 2.15932 -227.39436 542.37569
5670.0000 -234.96480 -228.43769 6.52711 2.13279 -227.93488 538.84778
5675.0000 -234.16368 -228.11063 6.05305 2.11834 -228.22952 518.41742
5680.0000 -233.62222 -226.91693 6.70529 2.14199 -227.74746 524.56627
5685.0000 -233.68313 -227.35000 6.33314 2.17443 -227.08640 546.33430
5690.0000 -234.95181 -228.73862 6.21319 2.15797 -227.42172 529.64093
5695.0000 -233.17790 -226.86763 6.31027 2.15057 -227.57259 531.91291
5700.0000 -232.79465 -226.92477 5.86988 2.16574 -227.26345 542.95789
5705.0000 -234.37566 -228.17944 6.19622 2.15545 -227.47312 537.49065
5710.0000 -233.71754 -227.87628 5.84127 2.13941 -227.80008 515.04099
5715.0000 -233.04108 -226.75576 6.28532 2.17617 -227.05090 530.47553
5720.0000 -234.45226 -228.32605 6.12620 2.12081 -228.17914 492.15936
5725.0000 -233.62965 -227.26669 6.36296 2.11309 -228.33639 480.84758
5730.0000 -233.30294 -228.00410 5.29884 2.13726 -227.84383 492.91500
5735.0000 -233.10266 -227.30297 5.79969 2.16060 -227.36815 518.82688
5740.0000 -234.00263 -227.39749 6.60514 2.17840 -227.00538 511.46037
5745.0000 -233.41696 -227.44582 5.97114 2.14925 -227.59948 492.39792
5750.0000 -233.93502 -228.05640 5.87862 2.13760 -227.83686 507.53469
FREEZING PROCESS: loop number 24 T-loop= 505.00000000000000
main_MD> interactions number 24 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05280 1.31478 -0.21888
force_rgl> df(natom) 0.67277 -2.20733 -2.99960
5755.0000 -234.29019 -228.15609 6.13410 2.13996 -227.78876 517.45487
5760.0000 -234.63268 -228.18768 6.44500 2.12973 -227.99743 515.16555
5765.0000 -234.69886 -227.98711 6.71175 2.13907 -227.80702 518.83997
5770.0000 -235.37021 -229.58238 5.78783 2.08635 -228.88135 480.02210
5775.0000 -234.54516 -228.42412 6.12104 2.07869 -229.03751 474.44070
5780.0000 -234.52888 -228.45337 6.07550 2.12187 -228.15754 493.73852
5785.0000 -233.71183 -227.54299 6.16884 2.13109 -227.96952 503.29360
5790.0000 -233.15505 -226.58839 6.56666 2.18351 -226.90141 526.38366
5795.0000 -234.32554 -226.69512 7.63042 2.21946 -226.16875 579.84147
5800.0000 -233.94371 -228.52603 5.41767 2.10155 -228.57164 503.12767
5805.0000 -234.29423 -228.71850 5.57573 2.12660 -228.06109 518.58006
5810.0000 -236.27115 -229.60725 6.66389 2.05312 -229.55868 484.36495
5815.0000 -235.44895 -229.44844 6.00051 2.03970 -229.83206 480.47290
5820.0000 -234.23754 -228.52057 5.71697 2.08617 -228.88506 503.47433
5825.0000 -236.10250 -230.21056 5.89194 2.05057 -229.61056 477.26624
5830.0000 -235.80396 -230.10265 5.70130 2.01308 -230.37464 454.91275
5835.0000 -234.65137 -228.95732 5.69405 2.05243 -229.57258 479.56268
5840.0000 -234.01150 -226.99338 7.01812 2.12054 -228.18462 522.87125
5845.0000 -234.87328 -228.23705 6.63622 2.12727 -228.04752 534.92795
5850.0000 -235.17786 -229.38794 5.78992 2.08543 -228.90014 505.55925
5855.0000 -234.63037 -227.77128 6.85909 2.10115 -228.57981 511.64775
5860.0000 -232.68222 -227.49098 5.19124 2.15148 -227.55405 529.14698
5865.0000 -234.38223 -228.69597 5.68626 2.09629 -228.67877 483.78708
5870.0000 -234.11457 -227.61179 6.50278 2.12734 -228.04604 514.80332
5875.0000 -234.29119 -227.59321 6.69798 2.17106 -227.15504 541.19944
5880.0000 -234.67739 -228.71944 5.95795 2.11788 -228.23877 504.33112
5885.0000 -235.28033 -230.39946 4.88087 2.07344 -229.14445 485.46137
5890.0000 -235.17796 -229.71441 5.46354 2.03019 -230.02593 445.12085
5895.0000 -234.60864 -229.07681 5.53183 2.07705 -229.07089 478.57790
5900.0000 -234.88727 -228.76751 6.11975 2.07854 -229.04059 483.67780
5905.0000 -234.22300 -228.36042 5.86258 2.10032 -228.59673 502.48789
5910.0000 -233.37239 -227.82729 5.54510 2.11397 -228.31857 504.49653
5915.0000 -234.85800 -229.33829 5.51970 2.10112 -228.58035 493.13170
5920.0000 -233.96409 -228.61832 5.34578 2.08052 -229.00027 476.53150
5925.0000 -233.46152 -227.51588 5.94564 2.13068 -227.97791 510.66298
5930.0000 -234.98801 -228.75603 6.23198 2.11142 -228.37055 505.38288
5935.0000 -234.91414 -229.03856 5.87558 2.08531 -228.90266 499.24150
5940.0000 -236.22817 -229.83967 6.38850 2.06832 -229.24886 490.96032
5945.0000 -235.01956 -229.39993 5.61962 2.10181 -228.56632 511.66639
5950.0000 -235.31302 -230.12719 5.18583 2.04331 -229.75855 471.35641
5955.0000 -235.06211 -230.00981 5.05230 2.04269 -229.77126 468.24137
5960.0000 -235.26521 -229.41674 5.84846 2.05480 -229.52427 491.43742
5965.0000 -235.02318 -229.05788 5.96530 2.07463 -229.12027 505.88702
5970.0000 -236.14802 -229.65585 6.49218 2.07263 -229.16100 499.95301
5975.0000 -234.01304 -227.98013 6.03291 2.07806 -229.05034 493.50624
5980.0000 -234.17298 -227.31057 6.86241 2.15172 -227.54912 540.67307
5985.0000 -234.33614 -227.49368 6.84246 2.09753 -228.65358 500.38093
5990.0000 -234.96655 -228.19945 6.76710 2.15912 -227.39844 547.54468
5995.0000 -234.45566 -227.95118 6.50448 2.09267 -228.75253 486.00698
6000.0000 -235.12698 -229.22111 5.90586 2.11329 -228.33230 492.83982
FREEZING PROCESS: loop number 25 T-loop= 480.00000000000000
main_MD> interactions number 25 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02345 2.92991 2.69009
force_rgl> df(natom) 0.40035 -2.17413 -1.80608
6005.0000 -234.95610 -229.12988 5.82621 2.07683 -229.07532 478.21161
6010.0000 -234.19068 -228.69441 5.49627 2.11295 -228.33939 499.14029
6015.0000 -234.50285 -228.77463 5.72823 2.07973 -229.01629 482.29639
6020.0000 -234.50237 -229.09496 5.40741 2.07288 -229.15590 480.31724
6025.0000 -234.27112 -227.49638 6.77475 2.12711 -228.05062 515.99631
6030.0000 -234.17811 -228.74194 5.43617 2.09981 -228.60701 503.55183
6035.0000 -234.26364 -228.12015 6.14349 2.07740 -229.06384 498.30930
6040.0000 -234.13968 -228.24202 5.89767 2.09595 -228.68569 502.96849
6045.0000 -235.66768 -228.93011 6.73757 2.07950 -229.02109 495.82665
6050.0000 -235.90421 -229.74241 6.16179 2.05439 -229.53280 486.86233
6055.0000 -235.36788 -229.98138 5.38649 2.04046 -229.81665 472.07246
6060.0000 -235.47104 -229.79161 5.67943 2.04683 -229.68675 474.28966
6065.0000 -235.13918 -229.50164 5.63754 2.06739 -229.26785 484.02195
6070.0000 -235.70693 -229.37608 6.33086 2.06168 -229.38406 478.29118
6075.0000 -234.86014 -229.70352 5.15662 2.02869 -230.05657 461.27162
6080.0000 -234.79025 -228.09278 6.69747 2.09996 -228.60405 507.77768
6085.0000 -234.88018 -229.75352 5.12665 2.08560 -228.89671 499.43935
6090.0000 -234.89904 -228.91363 5.98541 2.06757 -229.26412 486.36088
6095.0000 -234.62592 -229.80194 4.82398 2.08450 -228.91900 498.18108
6100.0000 -235.46327 -229.74852 5.71475 2.03112 -230.00694 472.69494
6105.0000 -234.93421 -229.76389 5.17033 2.01507 -230.33395 473.82073
6110.0000 -235.62995 -229.67900 5.95094 2.06012 -229.41596 500.35556
6115.0000 -236.22978 -230.54786 5.68192 2.02808 -230.06899 495.23248
6120.0000 -236.49151 -230.82730 5.66421 2.00587 -230.52157 477.78683
6125.0000 -236.48659 -231.17258 5.31401 1.96882 -231.27653 455.18832
6130.0000 -235.66242 -230.05505 5.60737 2.02913 -230.04749 499.53198
6135.0000 -235.01800 -229.70903 5.30898 2.01277 -230.38082 482.54310
6140.0000 -235.35947 -229.18882 6.17065 2.07050 -229.20443 524.92014
6145.0000 -235.96540 -229.82865 6.13676 2.04368 -229.75102 514.26210
6150.0000 -235.13535 -230.40708 4.72828 2.03601 -229.90731 504.00308
6155.0000 -237.05279 -230.82846 6.22433 2.01448 -230.34603 492.73354
6160.0000 -236.41424 -231.44354 4.97071 2.01961 -230.24149 497.87467
6165.0000 -236.44309 -230.57493 5.86816 1.99468 -230.74949 478.75558
6170.0000 -236.55936 -230.39416 6.16520 2.01787 -230.27691 489.53433
6175.0000 -235.47020 -230.16433 5.30587 2.03132 -230.00279 501.69688
6180.0000 -235.55574 -229.62600 5.92974 2.03603 -229.90694 505.22622
6185.0000 -235.96611 -230.37107 5.59504 2.03695 -229.88821 504.98416
6190.0000 -236.39150 -230.20305 6.18845 2.00801 -230.47789 481.65553
6195.0000 -235.79118 -231.17126 4.61992 1.98997 -230.84566 468.32428
6200.0000 -237.09296 -231.65687 5.43609 1.98135 -231.02119 459.88884
6205.0000 -237.61671 -231.72028 5.89643 1.99158 -230.81268 465.90614
6210.0000 -236.61477 -230.89242 5.72235 1.97766 -231.09652 459.28697
6215.0000 -235.64113 -230.47437 5.16676 2.01455 -230.34460 493.56313
6220.0000 -236.39981 -230.50436 5.89545 2.02580 -230.11532 495.29939
6225.0000 -236.75036 -231.28538 5.46498 1.98294 -230.98889 451.30843
6230.0000 -236.02064 -230.21980 5.80084 2.02287 -230.17513 494.51795
6235.0000 -235.71344 -229.73184 5.98160 2.03101 -230.00910 499.15972
6240.0000 -236.26620 -230.31706 5.94914 2.02489 -230.13389 499.04049
6245.0000 -235.75632 -230.62485 5.13148 2.02507 -230.13017 499.81238
6250.0000 -236.06295 -230.33404 5.72890 2.02222 -230.18840 484.04735
FREEZING PROCESS: loop number 26 T-loop= 455.00000000000000
main_MD> interactions number 26 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86766 1.45547 4.43162
force_rgl> df(natom) 0.29879 0.97035 -3.29385
6255.0000 -236.01059 -230.39858 5.61201 2.01237 -230.38897 485.58197
6260.0000 -236.73271 -231.27760 5.45512 1.99690 -230.70432 475.33325
6265.0000 -235.99094 -231.33351 4.65742 1.97591 -231.13207 462.26142
6270.0000 -236.35394 -231.29630 5.05764 1.94932 -231.67393 440.62756
6275.0000 -236.13248 -230.52632 5.60616 1.98064 -231.03573 465.75360
6280.0000 -236.84471 -231.57631 5.26840 1.97957 -231.05759 461.51941
6285.0000 -237.07396 -232.34886 4.72510 1.92370 -232.19615 420.63398
6290.0000 -236.87362 -231.58080 5.29283 1.93699 -231.92527 437.80183
6295.0000 -236.26751 -231.35412 4.91339 1.93937 -231.87672 431.86807
6300.0000 -237.55430 -232.02242 5.53187 1.96635 -231.32683 440.51610
6305.0000 -236.48683 -231.01832 5.46851 1.96005 -231.45541 451.34684
6310.0000 -236.82747 -231.10936 5.71811 1.96840 -231.28514 456.50731
6315.0000 -236.44554 -230.91737 5.52817 1.97882 -231.07269 456.15147
6320.0000 -236.12324 -231.04419 5.07905 1.99159 -230.81256 476.86793
6325.0000 -236.76919 -230.38225 6.38695 2.00877 -230.46246 479.91226
6330.0000 -236.21739 -230.70061 5.51677 1.98279 -230.99190 456.00316
6335.0000 -235.84285 -230.61635 5.22651 2.02932 -230.04372 490.65763
6340.0000 -236.42010 -231.18673 5.23338 1.96771 -231.29922 455.49097
6345.0000 -236.95994 -231.17770 5.78224 1.95800 -231.49709 444.71808
6350.0000 -236.28511 -230.57679 5.70832 1.98113 -231.02575 447.19251
6355.0000 -237.10108 -231.58519 5.51589 1.98293 -230.98899 454.39071
6360.0000 -236.51570 -230.61990 5.89579 1.97943 -231.06037 445.15230
6365.0000 -236.73397 -231.69870 5.03527 1.97495 -231.15173 454.43319
6370.0000 -237.14147 -231.08731 6.05416 1.93899 -231.88446 433.24854
6375.0000 -236.79365 -232.01879 4.77486 1.98893 -230.86677 467.23217
6380.0000 -237.11614 -232.66959 4.44655 1.91775 -232.31746 414.46124
6385.0000 -237.10457 -231.23962 5.86496 1.91870 -232.29804 417.75002
6390.0000 -237.45071 -232.54005 4.91066 1.93218 -232.02319 427.67070
6395.0000 -236.92878 -232.18084 4.74794 1.90068 -232.66531 398.58423
6400.0000 -235.44957 -230.70414 4.74544 1.95273 -231.60448 438.97011
6405.0000 -236.94755 -231.47871 5.46884 1.98961 -230.85281 468.74045
6410.0000 -236.77692 -231.90641 4.87051 1.92087 -232.25370 420.16775
6415.0000 -236.18717 -231.09530 5.09187 1.94525 -231.75698 434.56356
6420.0000 -236.58760 -231.47127 5.11634 1.97847 -231.07991 458.99354
6425.0000 -236.98091 -231.98958 4.99133 1.97030 -231.24644 454.41082
6430.0000 -236.65902 -231.33445 5.32457 1.99878 -230.66609 480.07674
6435.0000 -236.20556 -231.40808 4.79748 1.96532 -231.34784 447.95751
6440.0000 -236.79081 -231.59294 5.19788 1.96150 -231.42586 452.89197
6445.0000 -237.45688 -231.23894 6.21793 1.98327 -230.98201 473.27722
6450.0000 -235.82953 -230.72760 5.10193 1.96864 -231.28021 454.39676
6455.0000 -236.23549 -230.73150 5.50400 1.99867 -230.66835 464.81903
6460.0000 -236.54269 -230.95233 5.59036 2.00461 -230.54714 469.93798
6465.0000 -236.51262 -231.09997 5.41265 1.98880 -230.86939 459.45500
6470.0000 -236.20106 -230.65299 5.54807 1.96435 -231.36762 435.51342
6475.0000 -235.78566 -230.17623 5.60943 2.00019 -230.63729 462.77850
6480.0000 -236.47882 -231.10378 5.37504 2.00540 -230.53119 463.68932
6485.0000 -237.63203 -232.37119 5.26085 1.94879 -231.68474 426.10920
6490.0000 -236.56567 -232.31631 4.24936 1.89366 -232.80825 379.94690
6495.0000 -236.86672 -231.55720 5.30951 1.94585 -231.74474 420.71085
6500.0000 -236.43254 -231.12002 5.31252 1.98321 -230.98336 446.31220
FREEZING PROCESS: loop number 27 T-loop= 430.00000000000000
main_MD> interactions number 27 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18737 -1.71354 0.11471
force_rgl> df(natom) 0.39604 -1.42903 0.32474
6505.0000 -236.63646 -231.71022 4.92624 1.96861 -231.28080 436.68888
6510.0000 -237.23313 -231.72015 5.51298 1.96333 -231.38838 440.17730
6515.0000 -237.42426 -232.56059 4.86367 1.91935 -232.28484 417.85855
6520.0000 -237.14089 -232.74803 4.39286 1.90841 -232.50766 410.38853
6525.0000 -237.98187 -232.41247 5.56941 1.92864 -232.09537 427.43599
6530.0000 -237.13826 -231.84674 5.29152 1.92472 -232.17530 422.53248
6535.0000 -237.35496 -232.28800 5.06696 1.92357 -232.19871 422.66389
6540.0000 -237.23354 -231.68644 5.54710 1.94677 -231.72588 444.29317
6545.0000 -237.91801 -233.25206 4.66594 1.93220 -232.02287 426.85726
6550.0000 -236.40165 -231.72065 4.68100 1.91449 -232.38382 416.36276
6555.0000 -235.85717 -230.79739 5.05978 1.96913 -231.27027 446.59742
6560.0000 -236.22425 -231.13356 5.09069 1.97064 -231.23955 441.50896
6565.0000 -237.52853 -231.73715 5.79138 1.93927 -231.87877 430.69184
6570.0000 -236.57061 -230.83055 5.74005 1.95692 -231.51912 445.86957
6575.0000 -237.23413 -231.82164 5.41249 1.95768 -231.50353 449.58735
6580.0000 -236.30115 -231.20427 5.09688 1.94772 -231.70666 439.66821
6585.0000 -237.05581 -230.48786 6.56795 1.99770 -230.68809 474.62460
6590.0000 -237.18964 -232.18332 5.00632 1.97557 -231.13899 461.41985
6595.0000 -237.33896 -232.23171 5.10724 1.90199 -232.63845 407.46368
6600.0000 -236.97622 -231.30166 5.67456 1.95784 -231.50035 449.89388
6605.0000 -236.76874 -231.46236 5.30638 1.95227 -231.61396 448.29911
6610.0000 -236.93490 -231.23326 5.70164 1.96990 -231.25453 460.13283
6615.0000 -236.64231 -231.35356 5.28875 1.95830 -231.49107 449.10437
6620.0000 -237.41107 -231.38280 6.02827 1.96489 -231.35663 459.08200
6625.0000 -236.20074 -231.27590 4.92484 1.94985 -231.66325 440.81430
6630.0000 -237.03856 -232.01811 5.02044 1.94936 -231.67323 439.32452
6635.0000 -237.33484 -231.41727 5.91756 1.94294 -231.80404 434.30220
6640.0000 -237.64056 -232.97683 4.66374 1.92723 -232.12411 425.37265
6645.0000 -237.30156 -231.39460 5.90697 1.88789 -232.92583 395.16574
6650.0000 -237.11144 -232.33619 4.77525 1.95909 -231.47486 444.35257
6655.0000 -236.81582 -231.43762 5.37820 1.94605 -231.74070 437.49176
6660.0000 -237.64417 -232.61479 5.02938 1.93344 -231.99751 430.11437
6665.0000 -237.19496 -232.26154 4.93342 1.90908 -232.49410 410.21868
6670.0000 -237.25642 -232.06505 5.19137 1.92508 -232.16796 421.94940
6675.0000 -237.41696 -232.47704 4.93992 1.92603 -232.14860 422.30308
6680.0000 -237.04238 -231.67835 5.36403 1.93217 -232.02354 426.98936
6685.0000 -236.54455 -231.29712 5.24743 1.94871 -231.68640 439.76225
6690.0000 -237.46596 -231.68993 5.77602 1.95301 -231.59871 446.02524
6695.0000 -236.40934 -231.19326 5.21608 1.94877 -231.68527 440.53203
6700.0000 -236.70377 -230.71597 5.98780 1.97941 -231.06085 461.01415
6705.0000 -237.39531 -231.59728 5.79803 1.96105 -231.43503 451.19365
6710.0000 -236.90417 -232.09109 4.81308 1.93949 -231.87437 430.82014
6715.0000 -237.67047 -232.93835 4.73211 1.90331 -232.61171 406.98672
6720.0000 -237.36717 -232.65783 4.70935 1.88526 -232.97949 393.01538
6725.0000 -237.52795 -232.79866 4.72928 1.87262 -233.23699 383.75507
6730.0000 -237.07009 -232.31212 4.75797 1.92650 -232.13900 423.68212
6735.0000 -236.89770 -231.62530 5.27240 1.89831 -232.71360 400.06897
6740.0000 -236.39777 -231.90749 4.49027 1.95033 -231.65333 434.61526
6745.0000 -236.53554 -231.88249 4.65306 1.94466 -231.76897 426.43562
6750.0000 -236.55183 -231.32418 5.22765 1.92872 -232.09373 424.10297
FREEZING PROCESS: loop number 28 T-loop= 405.00000000000000
main_MD> interactions number 28 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.06380 2.09469 -3.51044
force_rgl> df(natom) -1.01560 1.32517 -3.43600
6755.0000 -236.97190 -232.25517 4.71674 1.95975 -231.46152 451.03211
6760.0000 -237.36140 -232.74677 4.61463 1.91102 -232.45459 415.28407
6765.0000 -238.06575 -233.43268 4.63308 1.88653 -232.95368 395.32478
6770.0000 -237.53512 -231.80905 5.72607 1.90098 -232.65914 406.19582
6775.0000 -237.71403 -232.62961 5.08442 1.91522 -232.36883 413.46411
6780.0000 -237.36604 -232.40909 4.95696 1.89583 -232.76400 404.00578
6785.0000 -237.33166 -232.45197 4.87969 1.90363 -232.60503 405.31193
6790.0000 -237.50222 -232.68811 4.81411 1.89187 -232.84470 400.92712
6795.0000 -237.72234 -232.96317 4.75917 1.86103 -233.47319 374.68033
6800.0000 -237.57618 -232.81609 4.76009 1.89719 -232.73633 398.24615
6805.0000 -236.93461 -232.86350 4.07111 1.88489 -232.98696 393.17698
6810.0000 -237.38203 -232.26327 5.11876 1.91449 -232.38388 411.05203
6815.0000 -237.06695 -232.49205 4.57490 1.93542 -231.95733 424.46990
6820.0000 -237.19870 -232.36014 4.83856 1.89990 -232.68106 402.41323
6825.0000 -237.67012 -233.20828 4.46185 1.90309 -232.61602 404.15695
6830.0000 -237.50185 -232.93387 4.56798 1.87880 -233.11116 386.44580
6835.0000 -237.25396 -232.84175 4.41221 1.89075 -232.86755 394.29792
6840.0000 -237.01998 -232.09354 4.92644 1.91510 -232.37131 412.51383
6845.0000 -237.28368 -232.35417 4.92951 1.90503 -232.57660 407.23628
6850.0000 -237.36427 -232.09212 5.27214 1.91410 -232.39175 415.09978
6855.0000 -237.63181 -233.31414 4.31767 1.90272 -232.62374 401.78605
6860.0000 -236.54371 -231.42135 5.12235 1.91112 -232.45258 411.71486
6865.0000 -237.64448 -233.00289 4.64159 1.89617 -232.75716 396.53892
6870.0000 -238.34126 -234.13374 4.20752 1.86743 -233.34286 378.09297
6875.0000 -238.33401 -233.94089 4.39311 1.86220 -233.44938 372.75418
6880.0000 -237.88661 -233.92131 3.96530 1.85962 -233.50196 370.49687
6885.0000 -238.21138 -233.57902 4.63236 1.85415 -233.61359 373.05159
6890.0000 -237.71957 -233.12418 4.59539 1.88150 -233.05604 385.86809
6895.0000 -237.50723 -231.80564 5.70159 1.88759 -232.93193 394.82457
6900.0000 -236.99781 -231.56694 5.43087 1.93456 -231.97485 433.80086
6905.0000 -237.58055 -232.44212 5.13843 1.91859 -232.30017 415.91755
6910.0000 -238.02967 -233.63958 4.39009 1.89192 -232.84374 394.51767
6915.0000 -237.83645 -233.47894 4.35750 1.84896 -233.71919 364.73575
6920.0000 -237.87043 -233.59679 4.27363 1.87313 -233.22670 382.75487
6925.0000 -237.87785 -233.46093 4.41693 1.85250 -233.64711 364.97994
6930.0000 -237.23976 -232.73666 4.50310 1.87991 -233.08854 386.07164
6935.0000 -237.86825 -233.78622 4.08203 1.86696 -233.35235 377.86750
6940.0000 -237.34189 -232.93175 4.41013 1.87174 -233.25494 380.94046
6945.0000 -236.94009 -232.96554 3.97454 1.87411 -233.20666 381.00706
6950.0000 -237.54636 -233.30692 4.23944 1.85930 -233.50858 370.05137
6955.0000 -237.99938 -233.18770 4.81167 1.85901 -233.51446 373.53090
6960.0000 -237.52776 -232.77146 4.75630 1.89923 -232.69481 402.83782
6965.0000 -237.63817 -232.97441 4.66376 1.91738 -232.32493 415.20258
6970.0000 -237.36895 -233.05732 4.31164 1.88475 -232.98990 390.24260
6975.0000 -237.37729 -232.40972 4.96757 1.89436 -232.79399 399.34595
6980.0000 -237.30271 -232.63529 4.66742 1.91820 -232.30819 418.37308
6985.0000 -237.69391 -232.64578 5.04813 1.90578 -232.56126 406.10278
6990.0000 -237.51677 -232.66681 4.84996 1.89826 -232.71449 399.71295
6995.0000 -237.11695 -232.45074 4.66621 1.91099 -232.45513 412.89492
7000.0000 -236.76963 -231.44959 5.32005 1.93344 -231.99769 426.92060
FREEZING PROCESS: loop number 29 T-loop= 380.00000000000000
main_MD> interactions number 29 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.49372 4.77301 0.74748
force_rgl> df(natom) -1.17625 0.39196 1.18318
7005.0000 -236.98917 -232.27291 4.71626 1.93620 -231.94133 432.60015
7010.0000 -238.59477 -234.51717 4.07760 1.87592 -233.16989 380.81984
7015.0000 -238.57232 -234.10431 4.46802 1.82903 -234.12552 346.71137
7020.0000 -237.68432 -233.42943 4.25488 1.87109 -233.26835 378.32395
7025.0000 -237.90671 -233.67404 4.23267 1.85929 -233.50883 370.84072
7030.0000 -237.76966 -232.85762 4.91204 1.88174 -233.05129 386.97914
7035.0000 -237.78335 -233.09025 4.69311 1.87360 -233.21701 379.78767
7040.0000 -237.41639 -232.20901 5.20738 1.87343 -233.22066 381.85161
7045.0000 -237.88169 -233.03108 4.85061 1.90517 -232.57367 407.24473
7050.0000 -237.76667 -233.20945 4.55722 1.88026 -233.08131 385.63358
7055.0000 -237.23758 -232.43208 4.80549 1.90374 -232.60288 404.73829
7060.0000 -237.66272 -232.97654 4.68618 1.90017 -232.67558 404.20877
7065.0000 -237.96671 -233.40277 4.56394 1.85843 -233.52632 370.36163
7070.0000 -238.10995 -233.61932 4.49063 1.87027 -233.28490 379.99337
7075.0000 -237.29726 -232.32029 4.97697 1.90191 -232.64026 401.51444
7080.0000 -238.11834 -233.91010 4.20824 1.86865 -233.31804 379.62087
7085.0000 -237.65405 -232.75971 4.89434 1.87165 -233.25689 380.84262
7090.0000 -237.97125 -232.85816 5.11309 1.87561 -233.17620 383.69391
7095.0000 -238.17104 -233.70805 4.46299 1.85311 -233.63478 366.38701
7100.0000 -238.16324 -233.22431 4.93892 1.87715 -233.14476 384.32414
7105.0000 -237.63137 -232.65020 4.98117 1.87599 -233.16831 382.89955
7110.0000 -237.08322 -231.88497 5.19824 1.91673 -232.33806 417.04088
7115.0000 -237.86891 -232.56464 5.30426 1.92222 -232.22629 416.76224
7120.0000 -237.91733 -233.25863 4.65869 1.90074 -232.66411 406.07994
7125.0000 -237.37561 -233.51498 3.86063 1.86818 -233.32765 376.73039
7130.0000 -238.20549 -233.82270 4.38279 1.83238 -234.05721 351.67319
7135.0000 -237.37056 -232.40028 4.97028 1.84251 -233.85072 355.66150
7140.0000 -237.76107 -232.84209 4.91898 1.89699 -232.74050 401.40514
7145.0000 -238.00508 -233.67711 4.32797 1.86076 -233.47877 369.96315
7150.0000 -238.29621 -233.76254 4.53367 1.84530 -233.79388 361.05623
7155.0000 -238.49299 -234.00956 4.48343 1.85711 -233.55325 369.13716
7160.0000 -237.38105 -233.56515 3.81590 1.83166 -234.07179 349.61268
7165.0000 -238.00825 -233.81476 4.19349 1.83861 -233.93017 355.41244
7170.0000 -238.05448 -233.34745 4.70703 1.83950 -233.91200 354.96870
7175.0000 -237.50569 -233.48792 4.01778 1.88148 -233.05647 385.88457
7180.0000 -237.99270 -233.55923 4.43347 1.84613 -233.77688 360.18087
7185.0000 -238.10352 -233.18855 4.91497 1.84987 -233.70067 363.14557
7190.0000 -237.75734 -232.91435 4.84299 1.87245 -233.24061 379.44147
7195.0000 -237.59216 -233.07473 4.51743 1.88116 -233.06306 389.57585
7200.0000 -238.00916 -233.62301 4.38615 1.86572 -233.37774 375.98178
7205.0000 -237.73333 -233.50242 4.23091 1.85647 -233.56630 368.72827
7210.0000 -238.00431 -233.32219 4.68212 1.87085 -233.27318 376.39610
7215.0000 -238.13073 -233.29463 4.83609 1.86997 -233.29109 379.97660
7220.0000 -237.02407 -231.66485 5.35922 1.89126 -232.85731 394.13625
7225.0000 -237.34392 -232.23585 5.10807 1.94287 -231.80549 433.30435
7230.0000 -238.01310 -233.53785 4.47524 1.89067 -232.86917 394.15337
7235.0000 -238.48997 -233.30480 5.18518 1.84101 -233.88132 354.82580
7240.0000 -236.84553 -232.97269 3.87284 1.86226 -233.44826 370.57346
7245.0000 -237.96629 -233.82570 4.14059 1.85857 -233.52349 371.41333
7250.0000 -238.77168 -234.42804 4.34364 1.83547 -233.99419 350.15907
FREEZING PROCESS: loop number 30 T-loop= 355.00000000000000
main_MD> interactions number 30 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94998 -1.43380 0.51638
force_rgl> df(natom) -4.60019 -1.41939 -1.17114
7255.0000 -237.56316 -233.20433 4.35884 1.82012 -234.30700 339.27221
7260.0000 -238.09081 -233.94900 4.14182 1.84444 -233.81140 357.12672
7265.0000 -238.70035 -235.01781 3.68254 1.80746 -234.56503 330.92825
7270.0000 -239.11391 -234.85841 4.25550 1.81036 -234.50595 331.37833
7275.0000 -238.39213 -234.50601 3.88612 1.80888 -234.53612 330.28415
7280.0000 -238.09374 -234.32525 3.76849 1.82420 -234.22395 341.99591
7285.0000 -238.14471 -234.21537 3.92934 1.82639 -234.17928 345.40123
7290.0000 -238.70071 -234.87652 3.82419 1.81403 -234.43104 332.62905
7295.0000 -238.34946 -233.93584 4.41362 1.80345 -234.64665 329.11110
7300.0000 -238.78079 -235.09649 3.68431 1.81380 -234.43589 333.56057
7305.0000 -238.32828 -234.47973 3.84855 1.80655 -234.58363 325.64509
7310.0000 -238.11072 -233.89686 4.21386 1.84988 -233.70044 363.74800
7315.0000 -238.33912 -234.06749 4.27163 1.83823 -233.93788 353.52546
7320.0000 -238.65061 -234.24533 4.40528 1.85224 -233.65244 365.34719
7325.0000 -238.59714 -233.95807 4.63907 1.83086 -234.08813 347.98959
7330.0000 -238.95039 -235.21935 3.73104 1.82164 -234.27607 339.13260
7335.0000 -238.30644 -234.02001 4.28643 1.80480 -234.61924 328.91187
7340.0000 -238.69588 -233.92414 4.77175 1.82534 -234.20064 341.08124
7345.0000 -238.44265 -234.19622 4.24644 1.80612 -234.59224 328.57767
7350.0000 -238.29276 -234.35774 3.93502 1.81849 -234.34019 338.18134
7355.0000 -238.25131 -234.44495 3.80636 1.82555 -234.19642 346.55541
7360.0000 -238.53722 -234.24470 4.29253 1.81179 -234.47675 334.86981
7365.0000 -238.31981 -234.10657 4.21324 1.82316 -234.24511 342.58446
7370.0000 -238.13293 -233.59437 4.53856 1.84163 -233.86865 357.64165
7375.0000 -238.41358 -234.19626 4.21732 1.83598 -233.98385 352.39155
7380.0000 -238.45845 -234.00583 4.45262 1.82306 -234.24707 339.64456
7385.0000 -238.08830 -233.64033 4.44797 1.84564 -233.78689 361.39558
7390.0000 -238.00335 -233.65210 4.35125 1.84239 -233.85313 357.74866
7395.0000 -238.27014 -234.52959 3.74055 1.83605 -233.98243 352.28766
7400.0000 -238.39425 -234.28568 4.10857 1.81516 -234.40801 336.32308
7405.0000 -237.94334 -233.96565 3.97769 1.84145 -233.87232 356.31677
7410.0000 -238.05672 -233.32626 4.73046 1.84904 -233.71771 362.95400
7415.0000 -237.45428 -232.99730 4.45697 1.88513 -232.98217 392.80083
7420.0000 -238.19825 -233.53473 4.66352 1.87615 -233.16507 384.22937
7425.0000 -238.45195 -234.13933 4.31263 1.84419 -233.81644 358.85385
7430.0000 -238.56973 -234.84233 3.72740 1.81599 -234.39113 334.63231
7435.0000 -238.75735 -234.77004 3.98732 1.79412 -234.83689 319.14335
7440.0000 -238.16429 -233.61427 4.55003 1.82342 -234.23972 340.96883
7445.0000 -236.78310 -232.78684 3.99625 1.88744 -232.93515 389.99866
7450.0000 -237.81509 -233.41116 4.40393 1.86126 -233.46856 373.75436
7455.0000 -237.83184 -233.57552 4.25632 1.86005 -233.49317 372.71924
7460.0000 -238.46028 -234.08464 4.37564 1.84875 -233.72348 361.72882
7465.0000 -237.42111 -232.82277 4.59833 1.85488 -233.59853 365.87441
7470.0000 -238.00626 -233.57595 4.43031 1.85015 -233.69504 361.21343
7475.0000 -238.38082 -233.65087 4.72996 1.84579 -233.78387 358.35179
7480.0000 -237.90480 -234.09409 3.81071 1.85615 -233.57282 366.20343
7485.0000 -239.05340 -234.67221 4.38119 1.83221 -234.06055 348.48794
7490.0000 -238.15241 -233.36617 4.78624 1.84681 -233.76314 360.82827
7495.0000 -238.34346 -234.02279 4.32067 1.85731 -233.54912 367.80416
7500.0000 -238.08008 -233.28824 4.79184 1.83772 -233.94840 354.46610
FREEZING PROCESS: loop number 31 T-loop= 330.00000000000000
main_MD> interactions number 31 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80163 -0.09276 -0.11892
force_rgl> df(natom) 0.84474 0.40365 1.64873
7505.0000 -238.30918 -234.42699 3.88219 1.84120 -233.87747 356.22486
7510.0000 -238.64869 -234.42093 4.22776 1.81260 -234.46023 333.19610
7515.0000 -238.40350 -234.21229 4.19120 1.83361 -234.03201 350.42124
7520.0000 -238.88713 -234.59626 4.29087 1.81513 -234.40862 335.52701
7525.0000 -238.38412 -233.78744 4.59668 1.82361 -234.23593 343.37503
7530.0000 -238.07847 -233.81424 4.26423 1.84154 -233.87046 354.45559
7535.0000 -238.09397 -234.10734 3.98663 1.82756 -234.15545 346.16508
7540.0000 -238.81021 -234.75377 4.05644 1.80354 -234.64494 328.52801
7545.0000 -238.77994 -235.06819 3.71175 1.78608 -235.00067 311.59521
7550.0000 -238.34896 -234.60612 3.74283 1.80332 -234.64928 328.11121
7555.0000 -238.10078 -234.49060 3.61018 1.81785 -234.35333 336.67702
7560.0000 -238.46364 -234.40760 4.05604 1.83014 -234.10275 346.02231
7565.0000 -238.64193 -234.84486 3.79707 1.81267 -234.45891 333.73038
7570.0000 -238.47636 -235.15466 3.32170 1.79413 -234.83670 317.74654
7575.0000 -238.40079 -234.84579 3.55500 1.78428 -235.03734 309.87347
7580.0000 -238.59102 -235.15858 3.43244 1.78842 -234.95295 314.77318
7585.0000 -238.72645 -234.78362 3.94283 1.77241 -235.27931 302.87888
7590.0000 -238.70476 -234.65664 4.04812 1.80232 -234.66973 323.78045
7595.0000 -238.94432 -235.24582 3.69850 1.78914 -234.93844 314.16273
7600.0000 -238.39834 -234.15727 4.24107 1.80868 -234.54022 330.50371
7605.0000 -238.07471 -234.35415 3.72056 1.82677 -234.17140 345.61294
7610.0000 -239.03757 -234.92684 4.11073 1.80852 -234.54350 329.68417
7615.0000 -238.46301 -234.19977 4.26324 1.83156 -234.07384 348.64698
7620.0000 -238.11517 -234.43549 3.67968 1.82471 -234.21353 345.16902
7625.0000 -238.81701 -235.01525 3.80175 1.80282 -234.65955 326.60461
7630.0000 -238.59036 -234.68047 3.90989 1.79288 -234.86219 319.90522
7635.0000 -238.91482 -235.07502 3.83980 1.79561 -234.80650 320.30786
7640.0000 -238.70894 -235.06866 3.64028 1.79393 -234.84080 317.32473
7645.0000 -239.17646 -235.35077 3.82569 1.77269 -235.27350 302.08632
7650.0000 -238.78813 -235.23172 3.55641 1.76097 -235.51237 293.16113
7655.0000 -238.15578 -234.76347 3.39231 1.79902 -234.73704 323.70046
7660.0000 -238.02778 -234.21194 3.81584 1.80892 -234.53529 331.80729
7665.0000 -238.01705 -234.22926 3.78779 1.82098 -234.28945 340.52989
7670.0000 -238.53371 -235.06287 3.47084 1.79844 -234.74884 322.05628
7675.0000 -238.46547 -234.73119 3.73428 1.80055 -234.70592 321.86582
7680.0000 -238.11212 -233.87969 4.23244 1.81988 -234.31186 340.22228
7685.0000 -238.20653 -234.34724 3.85929 1.81765 -234.35734 335.84924
7690.0000 -238.63883 -234.35669 4.28214 1.82389 -234.23018 342.64198
7695.0000 -238.51216 -234.35660 4.15556 1.82012 -234.30705 339.20040
7700.0000 -238.32980 -234.25831 4.07149 1.81310 -234.45003 337.17788
7705.0000 -238.50387 -233.68884 4.81502 1.81720 -234.36646 340.17510
7710.0000 -238.27324 -234.13700 4.13624 1.83192 -234.06647 348.87806
7715.0000 -238.68284 -234.85944 3.82340 1.79493 -234.82033 320.99954
7720.0000 -238.79839 -234.82437 3.97402 1.78883 -234.94463 317.67755
7725.0000 -238.71426 -235.60702 3.10723 1.78360 -235.05123 311.85106
7730.0000 -238.49336 -234.94978 3.54359 1.77201 -235.28741 299.46990
7735.0000 -238.56696 -234.95198 3.61498 1.79826 -234.75259 325.54793
7740.0000 -238.46708 -234.60024 3.86684 1.78357 -235.05195 308.06607
7745.0000 -238.72618 -235.14346 3.58272 1.78764 -234.96885 315.94553
7750.0000 -238.67144 -234.26318 4.40826 1.80224 -234.67132 326.45653
FREEZING PROCESS: loop number 32 T-loop= 305.00000000000000
main_MD> interactions number 32 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08167 1.72483 2.23068
force_rgl> df(natom) -0.81077 0.21702 0.08219
7755.0000 -238.66108 -234.34631 4.31477 1.83054 -234.09458 347.92450
7760.0000 -238.85837 -235.51521 3.34316 1.76611 -235.40775 297.10792
7765.0000 -238.90701 -235.61514 3.29187 1.74976 -235.74091 282.34241
7770.0000 -239.53070 -235.89979 3.63092 1.75400 -235.65448 285.06233
7775.0000 -239.16530 -235.72677 3.43852 1.74772 -235.78238 280.04960
7780.0000 -239.06033 -235.53137 3.52896 1.75303 -235.67435 285.40887
7785.0000 -239.09930 -235.55553 3.54377 1.76349 -235.46107 295.16854
7790.0000 -238.88511 -235.45482 3.43029 1.75643 -235.60507 288.31419
7795.0000 -239.13285 -236.10272 3.03013 1.76418 -235.44696 295.06456
7800.0000 -238.87814 -235.40001 3.47812 1.74713 -235.79453 282.53495
7805.0000 -239.01234 -235.70330 3.30904 1.75712 -235.59101 290.86803
7810.0000 -239.31123 -236.16482 3.14641 1.76640 -235.40174 297.79578
7815.0000 -238.45745 -234.70388 3.75357 1.77841 -235.15694 306.08683
7820.0000 -238.64478 -235.05737 3.58741 1.78064 -235.11149 310.40448
7825.0000 -239.31713 -236.62087 2.69627 1.75104 -235.71476 288.68587
7830.0000 -238.48035 -234.92118 3.55916 1.75751 -235.58303 290.35133
7835.0000 -238.92011 -234.89026 4.02985 1.79629 -234.79269 323.30444
7840.0000 -238.40516 -234.83811 3.56705 1.79937 -234.72992 324.71905
7845.0000 -238.85721 -235.24478 3.61243 1.78146 -235.09494 307.70957
7850.0000 -239.39979 -235.98307 3.41672 1.74670 -235.80328 279.23916
7855.0000 -239.46904 -235.84932 3.61972 1.73303 -236.08185 271.12087
7860.0000 -239.14991 -235.27534 3.87458 1.76023 -235.52756 291.31955
7865.0000 -239.26318 -235.19253 4.07066 1.77316 -235.26409 300.25241
7870.0000 -238.50371 -235.33695 3.16676 1.76856 -235.35770 298.01279
7875.0000 -238.35376 -234.82318 3.53058 1.79301 -234.85942 320.80883
7880.0000 -238.84621 -235.01839 3.82783 1.79285 -234.86279 316.95075
7885.0000 -238.37646 -235.00131 3.37515 1.78644 -234.99335 313.71291
7890.0000 -238.00011 -234.79449 3.20563 1.79083 -234.90393 318.80588
7895.0000 -238.80447 -235.03396 3.77051 1.80797 -234.55452 328.72140
7900.0000 -238.96431 -235.73080 3.23350 1.76808 -235.36754 298.06494
7905.0000 -238.64391 -234.83317 3.81074 1.78357 -235.05186 311.19151
7910.0000 -239.16077 -235.77439 3.38638 1.77290 -235.26924 302.23236
7915.0000 -238.98672 -235.71112 3.27561 1.73487 -236.04430 272.89920
7920.0000 -238.43797 -235.17547 3.26250 1.75870 -235.55866 291.76731
7925.0000 -238.68407 -235.35721 3.32687 1.78336 -235.05612 309.77861
7930.0000 -238.25715 -234.69426 3.56289 1.77715 -235.18275 305.38636
7935.0000 -239.08299 -235.48140 3.60159 1.78277 -235.06808 312.19305
7940.0000 -239.09775 -236.00653 3.09122 1.74594 -235.81877 279.75718
7945.0000 -239.42942 -235.99506 3.43436 1.74697 -235.79768 281.50629
7950.0000 -239.65854 -235.32987 4.32867 1.76389 -235.45288 294.07727
7955.0000 -238.77982 -234.76421 4.01561 1.79841 -234.74952 326.15933
7960.0000 -238.88844 -235.48701 3.40143 1.79480 -234.82306 318.81850
7965.0000 -239.25765 -235.77474 3.48291 1.75151 -235.70518 285.08834
7970.0000 -239.05011 -235.74864 3.30147 1.74712 -235.79480 283.25922
7975.0000 -239.18260 -235.71952 3.46307 1.75536 -235.62677 291.32550
7980.0000 -238.88532 -235.53405 3.35127 1.76249 -235.48140 293.49668
7985.0000 -238.96882 -235.41368 3.55514 1.76003 -235.53162 291.32329
7990.0000 -238.76317 -235.38697 3.37621 1.76719 -235.38570 296.78741
7995.0000 -238.64795 -235.20723 3.44072 1.75895 -235.55367 291.36421
8000.0000 -239.02520 -235.37977 3.64543 1.78857 -234.95004 315.02750
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 14.6161490 [s].
main_MD> Deallocating global variables
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