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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_87/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_87.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 = 87 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 87 8700
main_MD> Size of nv and nvoiz: 87 8700
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 = 87
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.14329986180542958 6.6331385643580112E-002 -6.5634975218959724E-002 initial drift of cluster / NP1 for coalescence
init> 0.32707532730992678 0.34103002605461574 0.29980446787305981 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5430440606759022E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84026 -2.26278 0.27213
force_rgl> df(natom) 4.27050 -2.68679 -1.08567
preparo> THERMALIZATION PROCESS AT 1094.1791747074944
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -192.99378609937423 12.005738117775417 -204.99952421714966 6.8550771494340756E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 31
FREEZING PROCESS: loop number 1 T-loop= 1064.0000000000000
main_MD> interactions number 1 at Temperature= 1064.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87531 -0.87802 -1.17947
force_rgl> df(natom) 0.55606 0.13787 5.18765
5.0000 -204.63741 -192.11425 12.52317 3.24899 -192.85871 1178.94254
10.0000 -207.23863 -194.52628 12.71235 3.18837 -194.04887 1142.87975
15.0000 -210.98398 -196.65842 14.32556 3.13381 -195.12015 1114.96814
20.0000 -209.21253 -197.67092 11.54161 2.97591 -198.22049 1034.35783
25.0000 -206.65261 -193.94801 12.70460 3.04366 -196.89027 1064.00105
30.0000 -207.74193 -194.33670 13.40523 3.12464 -195.30030 1137.73275
35.0000 -206.45054 -195.48248 10.96807 3.09349 -195.91179 1090.33036
40.0000 -207.49056 -195.39484 12.09571 3.18476 -194.11976 1152.43299
45.0000 -207.19826 -195.92477 11.27349 3.15635 -194.67766 1128.09349
50.0000 -208.25014 -194.91598 13.33416 3.12665 -195.26078 1092.66556
55.0000 -208.19720 -195.21848 12.97872 3.10503 -195.68525 1101.61335
60.0000 -207.99260 -196.08240 11.91020 3.10805 -195.62605 1099.93510
65.0000 -208.17995 -196.35256 11.82739 3.10000 -195.78398 1121.61365
70.0000 -208.82542 -196.56424 12.26119 3.07021 -196.36887 1081.77638
75.0000 -208.87938 -195.77610 13.10328 3.03324 -197.09472 1085.38235
80.0000 -210.51943 -198.42399 12.09544 2.98655 -198.01162 1032.30910
85.0000 -208.55857 -195.53556 13.02300 3.05690 -196.63023 1073.34505
90.0000 -208.54288 -196.61473 11.92814 3.09181 -195.94476 1093.66218
95.0000 -208.02546 -196.15308 11.87238 3.06363 -196.49821 1057.06651
100.0000 -207.94370 -196.90665 11.03705 3.07903 -196.19574 1079.17021
105.0000 -210.49637 -197.84950 12.64687 3.02590 -197.23889 1057.97000
110.0000 -209.30074 -197.49636 11.80438 2.99904 -197.76638 1066.18906
115.0000 -209.51716 -197.39849 12.11867 3.01824 -197.38932 1068.74410
120.0000 -209.93538 -198.68532 11.25006 3.05762 -196.61619 1083.52545
125.0000 -210.54370 -197.23912 13.30458 3.00494 -197.65037 1030.93588
130.0000 -207.95790 -196.54922 11.40869 2.99580 -197.82984 1038.04074
135.0000 -206.93770 -193.49057 13.44713 3.13775 -195.04280 1112.08741
140.0000 -208.90882 -195.03963 13.86919 3.15750 -194.65507 1109.42987
145.0000 -210.04589 -199.04429 11.00160 3.10017 -195.78078 1074.09532
150.0000 -209.75169 -198.52618 11.22551 2.92601 -199.20025 987.68566
155.0000 -209.04350 -197.88974 11.15376 2.97566 -198.22532 1021.12013
160.0000 -209.33718 -195.82445 13.51273 3.01725 -197.40868 1031.93116
165.0000 -208.71821 -193.67223 15.04598 3.15784 -194.64845 1117.72357
170.0000 -208.59594 -196.63247 11.96346 3.12521 -195.28909 1116.88862
175.0000 -210.51591 -196.80135 13.71456 3.02942 -197.16976 1070.14920
180.0000 -208.22334 -197.44088 10.78246 3.03927 -196.97645 1046.48474
185.0000 -208.89456 -194.82636 14.06820 3.04485 -196.86686 1059.53066
190.0000 -208.54043 -196.29046 12.24997 3.15281 -194.74722 1146.86514
195.0000 -210.26180 -195.79336 14.46844 3.03053 -197.14804 1055.29853
200.0000 -208.39453 -196.89782 11.49671 3.01205 -197.51084 1046.68585
205.0000 -208.87112 -195.66153 13.20959 3.06432 -196.48467 1066.98966
210.0000 -209.00747 -197.80325 11.20422 3.08567 -196.06541 1078.84955
215.0000 -210.74005 -197.97847 12.76159 2.97984 -198.14323 1027.87473
220.0000 -212.35103 -199.78189 12.56914 2.93716 -198.98119 999.16429
225.0000 -210.77814 -199.92514 10.85300 2.88524 -200.00058 975.28982
230.0000 -210.53050 -197.46120 13.06930 2.93957 -198.93390 991.91898
235.0000 -209.22112 -197.51872 11.70240 3.03366 -197.08657 1065.66141
240.0000 -209.82284 -197.99243 11.83041 3.02077 -197.33972 1071.84995
245.0000 -208.36914 -197.18935 11.17979 3.03494 -197.06135 1070.20862
250.0000 -207.06871 -195.67030 11.39842 3.10779 -195.63110 1082.53161
FREEZING PROCESS: loop number 2 T-loop= 1039.0000000000000
main_MD> interactions number 2 at Temperature= 1039.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03069 -4.42111 -1.86330
force_rgl> df(natom) 3.17482 -1.91205 0.23025
255.0000 -208.20678 -195.90480 12.30198 3.10602 -195.66584 1111.46059
260.0000 -208.21389 -194.73435 13.47954 3.13162 -195.16328 1105.51371
265.0000 -208.27179 -195.88520 12.38659 3.11354 -195.51821 1087.78761
270.0000 -208.74799 -194.78950 13.95849 3.11418 -195.50571 1140.48831
275.0000 -209.46408 -194.79288 14.67120 3.15947 -194.61632 1175.32839
280.0000 -209.47756 -198.55899 10.91857 3.06755 -196.42118 1083.75137
285.0000 -210.35331 -197.81817 12.53514 2.91492 -199.41790 970.16892
290.0000 -207.33178 -197.83344 9.49834 2.99143 -197.91575 1013.75814
295.0000 -208.48102 -197.22775 11.25327 3.03011 -197.15634 1056.98637
300.0000 -209.85959 -197.70125 12.15835 3.00481 -197.65298 1054.10140
305.0000 -208.43358 -196.27048 12.16310 2.96370 -198.46015 1028.18020
310.0000 -210.19981 -197.40386 12.79595 3.04365 -196.89044 1062.17531
315.0000 -208.66732 -196.88667 11.78065 3.01434 -197.46593 1033.32142
320.0000 -209.12857 -197.67475 11.45382 2.97145 -198.30800 1024.74554
325.0000 -210.17100 -199.86348 10.30753 2.94934 -198.74209 991.76544
330.0000 -208.37886 -197.39832 10.98055 2.95366 -198.65726 1013.59466
335.0000 -208.13533 -197.88197 10.25336 3.04615 -196.84142 1058.36308
340.0000 -209.52613 -196.82821 12.69792 3.03132 -197.13260 1038.44974
345.0000 -206.90611 -197.59108 9.31503 3.06096 -196.55048 1041.54587
350.0000 -208.90005 -196.64226 12.25779 3.05557 -196.65631 1038.45719
355.0000 -212.76940 -199.36162 13.40778 2.98110 -198.11851 1026.69813
360.0000 -209.99928 -199.40781 10.59147 2.93664 -198.99146 990.82522
365.0000 -209.62670 -197.60245 12.02425 2.96530 -198.42871 992.04876
370.0000 -209.31910 -198.20769 11.11141 2.96894 -198.35720 1006.76942
375.0000 -209.59286 -199.22989 10.36297 2.91533 -199.40979 992.19957
380.0000 -209.58259 -197.96598 11.61661 3.01789 -197.39617 1042.11083
385.0000 -209.53862 -197.97904 11.55959 2.99292 -197.88640 1048.07240
390.0000 -208.54089 -195.49914 13.04175 3.07358 -196.30280 1075.08791
395.0000 -207.70279 -193.47923 14.22357 3.23644 -193.10509 1168.46339
400.0000 -205.58826 -191.58933 13.99893 3.26158 -192.61158 1169.97148
405.0000 -207.07569 -195.16323 11.91246 3.19261 -193.96567 1134.26325
410.0000 -207.45285 -198.18402 9.26884 3.09580 -195.86653 1095.04350
415.0000 -210.33823 -199.53740 10.80083 2.94698 -198.78836 993.16751
420.0000 -210.60240 -199.25604 11.34636 2.91812 -199.35507 1004.71797
425.0000 -210.26919 -197.20106 13.06814 2.98137 -198.11325 1023.94374
430.0000 -208.23707 -197.23736 10.99970 3.01758 -197.40238 1048.49563
435.0000 -209.43648 -198.95156 10.48492 3.02201 -197.31528 1039.70312
440.0000 -211.61893 -200.15600 11.46293 2.88050 -200.09370 961.13171
445.0000 -212.88846 -201.40256 11.48590 2.88520 -200.00139 973.61422
450.0000 -211.27068 -199.88278 11.38789 2.86685 -200.36172 964.34925
455.0000 -207.55772 -196.47795 11.07978 2.96741 -198.38740 993.09309
460.0000 -208.14883 -196.46690 11.68193 3.08428 -196.09262 1092.53070
465.0000 -209.07265 -199.58042 9.49222 2.96013 -198.53030 1029.60857
470.0000 -209.57035 -197.97532 11.59503 2.95242 -198.68163 1032.64811
475.0000 -210.28019 -197.39338 12.88681 2.98953 -197.95312 1022.67952
480.0000 -207.83430 -197.49335 10.34095 2.99727 -197.80105 1025.67803
485.0000 -210.43641 -198.97818 11.45823 2.97734 -198.19245 1038.48441
490.0000 -209.77033 -197.63827 12.13206 2.95959 -198.54093 1025.05766
495.0000 -209.30571 -197.15109 12.15462 3.00116 -197.72467 1039.38015
500.0000 -208.35500 -194.67342 13.68158 3.07099 -196.35368 1060.61421
FREEZING PROCESS: loop number 3 T-loop= 1014.0000000000000
main_MD> interactions number 3 at Temperature= 1014.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.73187 -1.60043 -0.33483
force_rgl> df(natom) 0.68317 0.27254 0.91569
505.0000 -208.60461 -197.91448 10.69013 2.99663 -197.81366 1011.18756
510.0000 -211.15482 -199.46868 11.68614 2.96621 -198.41094 993.77733
515.0000 -210.14131 -200.18709 9.95422 2.95453 -198.64026 998.19094
520.0000 -210.05811 -199.60482 10.45329 2.92953 -199.13105 981.29512
525.0000 -210.44219 -199.89493 10.54726 2.90320 -199.64804 964.05423
530.0000 -208.75497 -197.81711 10.93786 2.95450 -198.64072 1037.99812
535.0000 -207.96558 -195.90808 12.05751 3.03425 -197.07491 1065.66137
540.0000 -207.59460 -195.03255 12.56205 3.09529 -195.87654 1104.30525
545.0000 -208.18792 -197.56352 10.62440 3.04006 -196.96098 1068.13031
550.0000 -210.48082 -199.00202 11.47880 2.97793 -198.18087 1020.94778
555.0000 -209.18219 -197.25059 11.93159 2.98412 -198.05927 1043.22502
560.0000 -208.84844 -196.08272 12.76572 3.06604 -196.45085 1065.53871
565.0000 -209.61955 -198.16223 11.45732 3.00696 -197.61082 1050.47806
570.0000 -208.78497 -197.68874 11.09623 2.99944 -197.75853 1029.43692
575.0000 -210.38249 -200.18420 10.19829 2.96019 -198.52906 1011.73254
580.0000 -209.36419 -197.56846 11.79573 2.90999 -199.51470 985.73768
585.0000 -210.92889 -199.49680 11.43209 2.97045 -198.32770 1001.86409
590.0000 -211.93018 -200.30613 11.62406 2.87870 -200.12912 968.74312
595.0000 -211.48485 -200.32244 11.16241 2.85637 -200.56751 960.79685
600.0000 -211.21339 -199.16368 12.04970 2.99334 -197.87830 1029.37598
605.0000 -210.10119 -199.28006 10.82113 2.93308 -199.06141 990.46055
610.0000 -211.08323 -200.94746 10.13577 2.92576 -199.20502 997.80842
615.0000 -207.28826 -196.92741 10.36086 2.90159 -199.67969 959.66085
620.0000 -210.14762 -197.40342 12.74420 3.02837 -197.19041 1055.80014
625.0000 -209.99709 -199.33905 10.65804 2.93970 -198.93140 993.06082
630.0000 -209.59436 -198.40272 11.19164 2.91968 -199.32448 1001.51441
635.0000 -209.75344 -198.16791 11.58553 2.95889 -198.55452 1025.06350
640.0000 -209.43235 -198.50948 10.92287 2.96465 -198.44160 1008.45253
645.0000 -210.73618 -199.63170 11.10448 2.92065 -199.30536 991.40806
650.0000 -206.83162 -195.69268 11.13894 3.02650 -197.22721 1072.11537
655.0000 -209.78076 -197.94275 11.83801 3.07205 -196.33286 1075.19875
660.0000 -210.58433 -200.41517 10.16916 2.94837 -198.76116 998.40898
665.0000 -208.50127 -196.72544 11.77582 2.99919 -197.76336 1026.14605
670.0000 -209.07243 -194.88349 14.18894 3.05971 -196.57516 1118.28333
675.0000 -209.65372 -195.33569 14.31803 3.06774 -196.41749 1100.46982
680.0000 -209.86374 -197.14883 12.71491 3.10399 -195.70576 1067.46942
685.0000 -208.52323 -196.84585 11.67738 3.07193 -196.33519 1091.00225
690.0000 -210.98034 -197.24024 13.74010 2.98589 -198.02456 1020.48943
695.0000 -210.70089 -199.51792 11.18297 3.02341 -197.28782 1049.37615
700.0000 -212.37740 -200.89405 11.48336 2.86628 -200.37289 965.56705
705.0000 -210.12552 -197.98038 12.14514 2.92269 -199.26539 1000.54366
710.0000 -209.14421 -196.65162 12.49259 3.01028 -197.54560 1002.66491
715.0000 -208.76936 -197.66151 11.10785 3.03725 -197.01609 1075.41093
720.0000 -211.28847 -199.35446 11.93401 3.00781 -197.59402 1025.91423
725.0000 -209.96107 -197.77502 12.18605 2.96132 -198.50682 1016.49780
730.0000 -210.32767 -198.57480 11.75288 3.04765 -196.81187 1051.83382
735.0000 -209.68784 -198.92002 10.76782 2.91541 -199.40824 1003.76361
740.0000 -209.73129 -199.69405 10.03724 2.93400 -199.04325 994.29367
745.0000 -207.21513 -196.41027 10.80487 2.97084 -198.31995 1003.24944
750.0000 -208.03719 -196.30665 11.73055 3.04426 -196.87850 1037.24000
FREEZING PROCESS: loop number 4 T-loop= 989.00000000000000
main_MD> interactions number 4 at Temperature= 989.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.71632 0.52352 1.95620
force_rgl> df(natom) -1.23526 -3.75523 2.15843
755.0000 -209.21570 -196.34554 12.87017 3.11173 -195.55368 1062.79805
760.0000 -209.87743 -197.19786 12.67957 2.97427 -198.25269 1013.99158
765.0000 -209.94746 -199.50350 10.44397 2.94337 -198.85924 987.81726
770.0000 -210.29512 -199.78675 10.50837 2.96205 -198.49255 1004.12352
775.0000 -209.08938 -198.16798 10.92141 2.97276 -198.28222 1006.52979
780.0000 -210.11816 -198.46494 11.65322 2.95317 -198.66698 1014.57125
785.0000 -210.36541 -200.20984 10.15556 2.91382 -199.43962 983.88745
790.0000 -210.89670 -200.30083 10.59587 2.85277 -200.63827 934.66349
795.0000 -210.40458 -199.46441 10.94018 2.93228 -199.07708 1004.95164
800.0000 -210.84616 -200.60699 10.23918 2.90164 -199.67863 992.07544
805.0000 -209.54899 -199.96304 9.58595 2.79601 -201.75256 884.61004
810.0000 -210.24794 -197.68302 12.56492 2.94087 -198.90846 1006.64220
815.0000 -207.00844 -194.84028 12.16817 3.04767 -196.81145 1050.77191
820.0000 -208.57653 -196.27949 12.29705 3.07521 -196.27072 1070.37717
825.0000 -210.94916 -199.32010 11.62906 3.01021 -197.54702 1046.97340
830.0000 -209.91955 -199.46557 10.45398 2.89533 -199.80250 979.85219
835.0000 -211.28685 -199.85282 11.43403 2.85398 -200.61435 957.07614
840.0000 -210.06517 -199.53436 10.53081 2.91776 -199.36221 1014.87012
845.0000 -211.77055 -202.24758 9.52297 2.84174 -200.85482 950.19041
850.0000 -210.35274 -199.54148 10.81125 2.83230 -201.04010 927.51557
855.0000 -210.94107 -200.26465 10.67642 2.89034 -199.90057 965.05321
860.0000 -209.80723 -197.94189 11.86534 2.92911 -199.13937 1001.20508
865.0000 -211.29520 -201.37109 9.92411 2.91189 -199.47748 992.16095
870.0000 -209.01651 -198.65883 10.35768 2.94362 -198.85442 1006.27101
875.0000 -209.76425 -199.58955 10.17470 2.93485 -199.02671 989.61673
880.0000 -208.48112 -196.53517 11.94595 2.93558 -199.01238 1012.18225
885.0000 -211.51667 -201.62948 9.88720 2.95183 -198.69319 1005.85816
890.0000 -211.49942 -201.08665 10.41277 2.80800 -201.51715 921.53262
895.0000 -210.54035 -200.33932 10.20102 2.88736 -199.95914 996.66887
900.0000 -210.53250 -200.76575 9.76675 2.84540 -200.78286 951.09075
905.0000 -212.32998 -201.43606 10.89392 2.83337 -201.01901 916.89721
910.0000 -209.52985 -197.64129 11.88856 2.85883 -200.51917 926.36105
915.0000 -210.00646 -198.93230 11.07416 2.93605 -199.00305 963.62268
920.0000 -208.18712 -196.25259 11.93453 2.93991 -198.92736 991.59726
925.0000 -208.26831 -194.89488 13.37343 3.09780 -195.82729 1106.71889
930.0000 -212.10706 -200.50457 11.60250 3.03560 -197.04845 1034.61180
935.0000 -209.07270 -196.55627 12.51643 2.93369 -199.04932 1001.42845
940.0000 -211.26655 -200.35781 10.90874 2.96150 -198.50334 1028.57459
945.0000 -211.25193 -202.12004 9.13189 2.83836 -200.92110 919.22871
950.0000 -212.62708 -203.08261 9.54447 2.76078 -202.44427 893.13371
955.0000 -208.84956 -197.82319 11.02637 2.87253 -200.25031 956.58106
960.0000 -210.30116 -199.04666 11.25450 2.97079 -198.32089 1022.93919
965.0000 -209.62028 -198.47920 11.14109 2.97385 -198.26090 1018.67756
970.0000 -210.15337 -199.02655 11.12682 2.95129 -198.70381 1006.48357
975.0000 -209.42766 -198.28405 11.14361 2.94666 -198.79477 993.92934
980.0000 -208.88887 -197.61113 11.27774 2.97084 -198.31990 1024.72006
985.0000 -208.64232 -197.32840 11.31392 3.00738 -197.60259 1015.61639
990.0000 -209.34330 -198.83272 10.51058 2.96251 -198.48357 987.89640
995.0000 -209.68332 -198.30664 11.37669 2.94607 -198.80624 1010.95314
1000.0000 -211.91669 -199.42783 12.48886 2.91315 -199.45273 991.87357
FREEZING PROCESS: loop number 5 T-loop= 964.00000000000000
main_MD> interactions number 5 at Temperature= 964.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11628 2.88198 1.22381
force_rgl> df(natom) 1.96802 0.38047 -2.81197
1005.0000 -211.12436 -200.11246 11.01190 2.86934 -200.31283 962.03652
1010.0000 -209.25887 -197.80831 11.45056 2.92214 -199.27613 983.65135
1015.0000 -209.16496 -197.98173 11.18323 3.00175 -197.71311 1024.96280
1020.0000 -209.31368 -199.06258 10.25110 2.96913 -198.35356 1001.48891
1025.0000 -210.46116 -200.54512 9.91604 2.91209 -199.47342 980.82785
1030.0000 -212.56583 -203.35740 9.20843 2.77894 -202.08780 875.08643
1035.0000 -211.03469 -201.98869 9.04600 2.76151 -202.42996 896.33886
1040.0000 -211.75910 -201.03068 10.72842 2.74865 -202.68242 900.28071
1045.0000 -211.44759 -201.49417 9.95342 2.87227 -200.25534 961.37205
1050.0000 -210.66529 -200.90229 9.76300 2.81688 -201.34294 918.79657
1055.0000 -211.29457 -199.66677 11.62781 2.86480 -200.40200 913.95180
1060.0000 -212.07323 -202.52619 9.54704 2.83675 -200.95267 911.52325
1065.0000 -213.23854 -202.21342 11.02512 2.79462 -201.77995 896.86124
1070.0000 -212.97551 -202.31546 10.66005 2.79731 -201.72703 910.91548
1075.0000 -212.36047 -200.87708 11.48339 2.81301 -201.41878 897.52600
1080.0000 -209.36510 -198.76054 10.60455 2.91881 -199.34152 958.48078
1085.0000 -209.37193 -198.48685 10.88508 2.98914 -197.96066 992.75721
1090.0000 -210.81940 -200.57910 10.24030 2.89587 -199.79196 952.75900
1095.0000 -210.00775 -200.23826 9.76949 2.91219 -199.47158 995.32015
1100.0000 -210.61547 -199.71032 10.90515 2.78301 -202.00778 898.72268
1105.0000 -209.96201 -198.91824 11.04378 2.90305 -199.65093 986.46970
1110.0000 -210.02309 -198.99085 11.03224 2.97695 -198.20007 1017.21802
1115.0000 -210.39929 -199.61978 10.77951 2.89560 -199.79732 951.24570
1120.0000 -209.56595 -198.73077 10.83518 2.90231 -199.66556 953.65579
1125.0000 -210.64332 -200.30832 10.33500 2.87907 -200.12183 952.98057
1130.0000 -209.36055 -201.01693 8.34362 2.86940 -200.31166 931.72596
1135.0000 -209.46236 -197.18711 12.27525 2.92825 -199.15629 976.99113
1140.0000 -209.91668 -198.13519 11.78149 2.96548 -198.42531 1011.95915
1145.0000 -210.62354 -198.90957 11.71397 2.98997 -197.94431 1010.12192
1150.0000 -209.35920 -197.26504 12.09416 2.94845 -198.75956 1026.94397
1155.0000 -208.83905 -198.37277 10.46628 3.03729 -197.01528 1077.54613
1160.0000 -209.61368 -198.33326 11.28041 2.96100 -198.51321 979.62586
1165.0000 -209.64888 -198.00419 11.64470 2.98915 -197.96055 1023.84701
1170.0000 -211.03906 -200.35855 10.68051 2.92158 -199.28708 949.39610
1175.0000 -212.02739 -200.77911 11.24828 2.81884 -201.30435 932.30524
1180.0000 -212.11022 -202.47842 9.63179 2.81421 -201.39526 926.03912
1185.0000 -210.11466 -200.98195 9.13271 2.84974 -200.69760 931.96588
1190.0000 -210.82364 -201.64416 9.17948 2.84967 -200.69909 930.49166
1195.0000 -211.12285 -200.97420 10.14865 2.81593 -201.36157 918.76790
1200.0000 -210.79830 -197.53052 13.26778 2.88458 -200.01367 941.76842
1205.0000 -210.67100 -198.17465 12.49635 2.97179 -198.30133 1044.70990
1210.0000 -209.71401 -198.27374 11.44027 2.98440 -198.05379 1027.37013
1215.0000 -210.68184 -200.32727 10.35457 2.89374 -199.83371 962.38697
1220.0000 -208.55911 -196.49819 12.06092 2.94907 -198.74742 1001.97552
1225.0000 -208.57376 -195.99085 12.58291 3.05776 -196.61347 1106.61912
1230.0000 -209.64654 -198.54385 11.10269 3.00890 -197.57266 1051.46043
1235.0000 -210.99101 -199.28490 11.70611 2.91281 -199.45934 975.98931
1240.0000 -211.65515 -201.60902 10.04612 2.80303 -201.61484 922.42025
1245.0000 -208.35962 -199.17118 9.18844 2.85863 -200.52305 934.18677
1250.0000 -210.42721 -200.16402 10.26320 2.94399 -198.84713 1003.36887
FREEZING PROCESS: loop number 6 T-loop= 939.00000000000000
main_MD> interactions number 6 at Temperature= 939.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.38214 -0.44671 -0.21411
force_rgl> df(natom) 1.45085 1.56185 -2.13667
1255.0000 -211.06342 -199.17340 11.89002 2.93670 -198.99022 998.75127
1260.0000 -212.53837 -202.55552 9.98285 2.83391 -201.00847 928.21198
1265.0000 -214.78782 -203.81451 10.97331 2.69083 -203.81779 856.30753
1270.0000 -213.15299 -202.13152 11.02148 2.73347 -202.98046 871.01275
1275.0000 -211.94350 -202.77668 9.16681 2.76743 -202.31385 889.02728
1280.0000 -211.70049 -201.66189 10.03860 2.76029 -202.45398 898.12340
1285.0000 -213.08481 -202.17914 10.90567 2.77469 -202.17130 897.12541
1290.0000 -210.47543 -201.87581 8.59962 2.80925 -201.49267 915.17697
1295.0000 -211.96650 -201.21191 10.75460 2.78749 -201.91998 915.53717
1300.0000 -210.15935 -200.45552 9.70383 2.81343 -201.41068 914.13638
1305.0000 -211.97742 -201.02556 10.95186 2.84542 -200.78245 941.14438
1310.0000 -211.55598 -201.60215 9.95383 2.80294 -201.61658 922.93253
1315.0000 -210.47969 -201.01461 9.46508 2.77765 -202.11304 892.51158
1320.0000 -210.16885 -200.57227 9.59657 2.85799 -200.53575 938.96848
1325.0000 -213.18127 -203.52535 9.65591 2.71564 -203.33067 864.82247
1330.0000 -213.38404 -202.89604 10.48800 2.71519 -203.33954 868.05960
1335.0000 -214.15023 -203.75360 10.39662 2.73445 -202.96135 853.55519
1340.0000 -211.61995 -201.32814 10.29181 2.75806 -202.49780 894.05155
1345.0000 -211.71251 -200.86176 10.85075 2.80886 -201.50031 903.72154
1350.0000 -211.37561 -202.25402 9.12158 2.75415 -202.57449 870.52476
1355.0000 -212.13980 -199.42326 12.71654 2.85603 -200.57412 949.68451
1360.0000 -209.94742 -199.26124 10.68618 2.93241 -199.07459 1000.25268
1365.0000 -211.54894 -201.59531 9.95364 2.88166 -200.07102 961.08794
1370.0000 -211.64017 -201.35555 10.28461 2.81184 -201.44172 904.77204
1375.0000 -211.26293 -199.81974 11.44319 2.86077 -200.48120 937.95338
1380.0000 -210.69355 -199.14812 11.54543 2.85559 -200.58288 948.71109
1385.0000 -210.11669 -199.81342 10.30326 2.89778 -199.75449 943.05463
1390.0000 -212.69145 -202.64338 10.04807 2.80704 -201.53613 944.50208
1395.0000 -213.15980 -203.07174 10.08806 2.74628 -202.72906 876.26330
1400.0000 -211.06991 -200.67840 10.39151 2.78630 -201.94318 912.16319
1405.0000 -211.81413 -199.41285 12.40128 2.87667 -200.16890 935.40767
1410.0000 -210.64036 -199.58727 11.05309 2.90751 -199.56341 957.65885
1415.0000 -212.01623 -202.14075 9.87548 2.81747 -201.33127 928.52244
1420.0000 -211.02529 -201.64924 9.37605 2.75128 -202.63092 890.75458
1425.0000 -212.76696 -202.81745 9.94951 2.76359 -202.38911 891.50231
1430.0000 -213.30693 -203.92212 9.38481 2.70610 -203.51801 857.71348
1435.0000 -213.15073 -202.16659 10.98413 2.73556 -202.93950 873.19050
1440.0000 -210.55355 -201.56493 8.98862 2.75944 -202.47074 885.63367
1445.0000 -211.76182 -200.62386 11.13796 2.83711 -200.94557 948.32655
1450.0000 -210.87340 -200.46417 10.40923 2.81221 -201.43461 941.74468
1455.0000 -210.41899 -200.33977 10.07922 2.80027 -201.66899 908.81897
1460.0000 -210.81334 -200.45768 10.35566 2.84390 -200.81229 936.20102
1465.0000 -212.95123 -202.31688 10.63435 2.78124 -202.04267 868.52022
1470.0000 -210.78434 -201.54434 9.24000 2.80655 -201.54568 893.82858
1475.0000 -212.25163 -202.17088 10.08075 2.78442 -201.98012 902.75326
1480.0000 -210.72785 -200.70638 10.02147 2.86386 -200.42045 958.02184
1485.0000 -211.53889 -200.45982 11.07908 2.89005 -199.90625 975.22246
1490.0000 -212.92698 -202.76585 10.16113 2.78310 -202.00607 908.24101
1495.0000 -212.54145 -202.62984 9.91161 2.75793 -202.50025 895.03941
1500.0000 -210.85981 -200.49765 10.36215 2.76282 -202.40425 873.50988
FREEZING PROCESS: loop number 7 T-loop= 914.00000000000000
main_MD> interactions number 7 at Temperature= 914.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54804 0.27798 2.36665
force_rgl> df(natom) -0.46062 -1.73993 -0.34484
1505.0000 -212.94051 -202.17925 10.76126 2.86587 -200.38102 961.96426
1510.0000 -211.10241 -201.58544 9.51697 2.82361 -201.21075 934.80844
1515.0000 -213.04256 -201.53507 11.50750 2.73477 -202.95510 851.74110
1520.0000 -210.08171 -199.00642 11.07529 2.85942 -200.50754 949.68045
1525.0000 -211.75003 -200.95598 10.79405 2.87520 -200.19782 946.59778
1530.0000 -210.71893 -201.13867 9.58026 2.80751 -201.52685 926.48770
1535.0000 -209.74947 -199.21603 10.53344 2.93470 -199.02960 1013.21609
1540.0000 -212.05057 -200.94222 11.10835 2.88146 -200.07486 978.16779
1545.0000 -211.07144 -199.36044 11.71100 2.89077 -199.89200 971.67277
1550.0000 -211.98574 -202.57377 9.41197 2.89405 -199.82760 996.90344
1555.0000 -213.03127 -202.00283 11.02844 2.78957 -201.87902 914.48486
1560.0000 -212.27818 -201.99817 10.28001 2.84630 -200.76522 955.30177
1565.0000 -212.31176 -203.00391 9.30785 2.76733 -202.31581 883.16244
1570.0000 -213.42772 -203.99569 9.43203 2.69349 -203.76555 840.67842
1575.0000 -212.41593 -202.88490 9.53104 2.77644 -202.13680 871.30098
1580.0000 -211.81185 -201.85170 9.96015 2.76679 -202.32630 874.27629
1585.0000 -211.82483 -202.03388 9.79095 2.74247 -202.80391 841.39534
1590.0000 -211.69541 -202.17191 9.52350 2.78363 -201.99579 890.30828
1595.0000 -212.31083 -202.57493 9.73591 2.73434 -202.96347 881.12469
1600.0000 -211.12861 -200.58872 10.53989 2.85331 -200.62769 929.97041
1605.0000 -211.62489 -201.04662 10.57827 2.80300 -201.61539 915.76963
1610.0000 -211.61560 -202.80844 8.80716 2.76453 -202.37066 882.48377
1615.0000 -211.42076 -201.41726 10.00351 2.70515 -203.53655 847.78796
1620.0000 -212.53539 -201.80696 10.72843 2.85278 -200.63796 900.70098
1625.0000 -211.80462 -202.09188 9.71274 2.80819 -201.51349 876.86967
1630.0000 -210.63120 -201.27463 9.35656 2.87748 -200.15294 970.14368
1635.0000 -210.77478 -200.66019 10.11459 2.84971 -200.69823 951.68762
1640.0000 -211.72508 -200.15342 11.57166 2.81881 -201.30494 916.41235
1645.0000 -210.25847 -199.45041 10.80805 2.94893 -198.75012 997.20228
1650.0000 -211.93926 -201.77658 10.16268 2.79995 -201.67529 920.69905
1655.0000 -213.09170 -203.14972 9.94198 2.75009 -202.65428 888.30756
1660.0000 -213.61059 -203.25765 10.35294 2.70885 -203.46388 851.75943
1665.0000 -212.63474 -202.14279 10.49195 2.68452 -203.94164 831.87437
1670.0000 -210.98382 -201.45824 9.52558 2.77450 -202.17488 918.46440
1675.0000 -212.38547 -201.11117 11.27430 2.83206 -201.04485 919.66987
1680.0000 -210.83807 -201.09594 9.74213 2.85758 -200.54369 960.44811
1685.0000 -209.98457 -199.59916 10.38542 2.90457 -199.62116 975.96516
1690.0000 -212.27494 -202.28752 9.98742 2.85925 -200.51094 957.62064
1695.0000 -212.43873 -202.84079 9.59793 2.73424 -202.96544 841.01420
1700.0000 -212.15464 -203.20247 8.95218 2.72201 -203.20557 881.47321
1705.0000 -212.31579 -201.93468 10.38111 2.76758 -202.31091 867.53963
1710.0000 -212.15592 -202.64894 9.50698 2.78214 -202.02487 911.52265
1715.0000 -211.87165 -201.56214 10.30950 2.74029 -202.84664 844.67730
1720.0000 -210.69045 -199.86319 10.82725 2.85548 -200.58504 936.15427
1725.0000 -212.66718 -202.37661 10.29057 2.83733 -200.94130 927.74173
1730.0000 -211.04577 -202.04135 9.00442 2.76851 -202.29251 911.63886
1735.0000 -210.45243 -200.76704 9.68539 2.77253 -202.21367 896.73287
1740.0000 -211.16414 -200.70626 10.45788 2.80532 -201.56977 919.18426
1745.0000 -210.28790 -201.54694 8.74096 2.85124 -200.66832 914.63457
1750.0000 -213.05553 -203.51283 9.54270 2.74743 -202.70637 845.44563
FREEZING PROCESS: loop number 8 T-loop= 889.00000000000000
main_MD> interactions number 8 at Temperature= 889.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91729 -0.02868 0.54774
force_rgl> df(natom) -0.90613 0.52355 3.02068
1755.0000 -214.14221 -203.73005 10.41216 2.66385 -204.34739 829.80002
1760.0000 -214.31350 -205.09496 9.21854 2.66527 -204.31964 812.92138
1765.0000 -211.23049 -202.42568 8.80481 2.71625 -203.31866 829.66628
1770.0000 -211.50491 -202.69505 8.80986 2.75778 -202.50322 875.60888
1775.0000 -213.27354 -202.56716 10.70638 2.74054 -202.84182 888.43741
1780.0000 -210.78096 -200.56438 10.21658 2.78042 -202.05872 899.30938
1785.0000 -210.80274 -200.40913 10.39361 2.85413 -200.61148 940.83241
1790.0000 -212.68961 -203.59756 9.09205 2.77129 -202.23797 882.98499
1795.0000 -213.81323 -203.75370 10.05953 2.75845 -202.49009 855.08968
1800.0000 -213.26628 -202.40095 10.86534 2.75540 -202.54993 876.83617
1805.0000 -212.30300 -202.70880 9.59420 2.77652 -202.13538 922.12522
1810.0000 -213.02170 -202.28315 10.73855 2.80903 -201.49700 916.00136
1815.0000 -210.84232 -201.91303 8.92929 2.75477 -202.56238 883.62595
1820.0000 -213.60994 -204.41897 9.19097 2.76703 -202.32170 882.34485
1825.0000 -213.15688 -204.70563 8.45125 2.64901 -204.63878 826.33830
1830.0000 -212.66075 -202.85967 9.80107 2.71920 -203.26069 856.69108
1835.0000 -211.72762 -202.68346 9.04416 2.74309 -202.79166 872.43855
1840.0000 -211.17255 -201.47926 9.69330 2.81075 -201.46317 910.46133
1845.0000 -213.14120 -203.82646 9.31474 2.80861 -201.50532 930.03243
1850.0000 -212.09011 -203.25294 8.83718 2.70244 -203.58979 835.32146
1855.0000 -210.52382 -201.73235 8.79147 2.72446 -203.15741 857.04375
1860.0000 -212.72544 -201.93547 10.78997 2.80975 -201.48280 938.59533
1865.0000 -212.30639 -201.33728 10.96911 2.80632 -201.55012 936.12742
1870.0000 -212.76478 -203.01368 9.75110 2.78327 -202.00285 892.59643
1875.0000 -211.36931 -201.76237 9.60693 2.71101 -203.42163 855.50175
1880.0000 -210.34519 -199.86036 10.48483 2.87340 -200.23320 945.32369
1885.0000 -214.59415 -203.83198 10.76217 2.78257 -202.01660 887.75451
1890.0000 -213.40385 -204.29141 9.11244 2.69718 -203.69312 824.65089
1895.0000 -211.71335 -203.70062 8.01273 2.69287 -203.77770 832.60855
1900.0000 -212.34902 -203.03269 9.31633 2.70552 -203.52932 850.98471
1905.0000 -211.49704 -202.27196 9.22507 2.72015 -203.24208 874.28134
1910.0000 -212.17856 -201.57975 10.59881 2.76566 -202.34861 886.17203
1915.0000 -211.85316 -200.57362 11.27954 2.87334 -200.23427 964.95389
1920.0000 -211.64984 -201.56400 10.08584 2.81337 -201.41185 931.33113
1925.0000 -211.32755 -201.99794 9.32960 2.77374 -202.18996 907.95129
1930.0000 -211.85251 -202.58322 9.26928 2.76640 -202.33391 905.79222
1935.0000 -211.51315 -202.09871 9.41443 2.79852 -201.70343 903.05280
1940.0000 -211.66604 -202.71735 8.94869 2.78009 -202.06514 908.51110
1945.0000 -211.72783 -200.01756 11.71027 2.80954 -201.48704 924.95504
1950.0000 -211.45265 -202.09551 9.35715 2.84439 -200.80273 929.64621
1955.0000 -213.29459 -203.78588 9.50870 2.71084 -203.42491 856.27291
1960.0000 -212.91092 -203.99151 8.91940 2.69588 -203.71854 847.00223
1965.0000 -212.47974 -202.95929 9.52046 2.72944 -203.05962 859.87920
1970.0000 -212.19872 -202.60075 9.59798 2.80113 -201.65205 893.71522
1975.0000 -210.79435 -202.06958 8.72477 2.74892 -202.67724 879.84271
1980.0000 -210.91041 -200.66778 10.24262 2.78824 -201.90526 888.19987
1985.0000 -210.82217 -201.00366 9.81850 2.85616 -200.57165 939.23645
1990.0000 -210.89371 -201.06601 9.82770 2.81541 -201.37178 923.30104
1995.0000 -212.56791 -202.54219 10.02572 2.77064 -202.25074 864.90128
2000.0000 -212.47683 -201.01815 11.45868 2.75916 -202.47621 881.24882
FREEZING PROCESS: loop number 9 T-loop= 864.00000000000000
main_MD> interactions number 9 at Temperature= 864.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15270 -4.73152 3.42004
force_rgl> df(natom) -0.76329 2.72755 -0.97083
2005.0000 -212.83087 -201.67465 11.15622 2.79255 -201.82062 901.18241
2010.0000 -212.13011 -202.73989 9.39023 2.78186 -202.03037 888.55713
2015.0000 -212.54972 -201.97042 10.57931 2.76832 -202.29638 891.85400
2020.0000 -211.96335 -202.79994 9.16342 2.76064 -202.44704 885.46638
2025.0000 -213.51684 -204.71089 8.80595 2.71706 -203.30277 863.62675
2030.0000 -213.31070 -205.08842 8.22228 2.62577 -205.09524 819.49417
2035.0000 -214.85617 -204.78988 10.06630 2.70662 -203.50769 855.26676
2040.0000 -214.58514 -204.55954 10.02560 2.64032 -204.80943 815.90523
2045.0000 -210.91030 -202.37397 8.53633 2.73533 -202.94404 858.25956
2050.0000 -212.11674 -202.02455 10.09219 2.76715 -202.31922 876.64941
2055.0000 -212.64601 -203.59081 9.05520 2.72223 -203.20119 859.30966
2060.0000 -212.03976 -202.34446 9.69530 2.72037 -203.23775 837.31240
2065.0000 -213.93940 -204.04572 9.89368 2.71262 -203.38987 888.77507
2070.0000 -214.38863 -205.72055 8.66807 2.65596 -204.50244 819.40419
2075.0000 -213.18958 -203.60801 9.58157 2.65173 -204.58552 828.79688
2080.0000 -211.95882 -201.21872 10.74011 2.76297 -202.40129 899.44283
2085.0000 -214.50029 -204.75921 9.74108 2.71332 -203.37614 866.21901
2090.0000 -212.52378 -203.36658 9.15721 2.71073 -203.42694 883.59720
2095.0000 -212.54950 -203.52537 9.02413 2.71580 -203.32747 835.68594
2100.0000 -214.24582 -205.71771 8.52811 2.66096 -204.40430 802.52926
2105.0000 -210.79035 -201.49166 9.29868 2.72980 -203.05257 896.64086
2110.0000 -211.95496 -202.79692 9.15804 2.76999 -202.26355 887.76011
2115.0000 -211.92730 -202.82756 9.09974 2.75834 -202.49224 882.33959
2120.0000 -212.01809 -201.67493 10.34316 2.80630 -201.55064 916.28830
2125.0000 -212.67591 -204.09452 8.58138 2.69810 -203.67495 843.00934
2130.0000 -212.06011 -202.49527 9.56484 2.76507 -202.36012 884.43823
2135.0000 -213.99505 -204.18646 9.80860 2.72347 -203.17694 862.26176
2140.0000 -212.26818 -204.15989 8.10830 2.66121 -204.39939 819.78485
2145.0000 -212.62758 -202.84899 9.77859 2.72282 -203.18969 870.30828
2150.0000 -213.56765 -203.80825 9.75940 2.70987 -203.44392 844.37002
2155.0000 -212.79926 -203.25420 9.54506 2.68908 -203.85213 831.66102
2160.0000 -212.26775 -203.13183 9.13592 2.77025 -202.25844 878.26205
2165.0000 -214.04353 -204.27365 9.76988 2.67960 -204.03818 832.41667
2170.0000 -213.75681 -204.24119 9.51562 2.68915 -203.85079 847.76083
2175.0000 -212.85298 -203.01118 9.84179 2.71599 -203.32383 861.80057
2180.0000 -212.92578 -203.61751 9.30827 2.74521 -202.75012 891.01183
2185.0000 -214.43434 -204.31994 10.11440 2.69800 -203.67689 833.14924
2190.0000 -214.36879 -204.12675 10.24204 2.58811 -205.83465 815.63014
2195.0000 -213.73226 -204.66624 9.06602 2.67588 -204.11119 830.03274
2200.0000 -212.94306 -203.26679 9.67627 2.68782 -203.87679 841.98741
2205.0000 -211.88151 -202.43833 9.44318 2.74261 -202.80108 861.89528
2210.0000 -212.53704 -201.57432 10.96272 2.74225 -202.80825 837.29962
2215.0000 -211.37638 -201.68777 9.68862 2.86611 -200.37630 925.74637
2220.0000 -213.71447 -203.37557 10.33890 2.73571 -202.93659 886.42792
2225.0000 -211.51459 -202.88128 8.63332 2.68116 -204.00754 849.34526
2230.0000 -212.79988 -202.96137 9.83851 2.69657 -203.70499 846.12171
2235.0000 -213.46445 -202.37413 11.09032 2.69176 -203.79950 821.37786
2240.0000 -210.01830 -200.62811 9.39020 2.81987 -201.28417 907.08756
2245.0000 -210.78854 -199.77611 11.01244 2.81702 -201.34011 888.39655
2250.0000 -212.62324 -201.59447 11.02877 2.80245 -201.62622 889.01591
FREEZING PROCESS: loop number 10 T-loop= 839.00000000000000
main_MD> interactions number 10 at Temperature= 839.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25659 -3.29249 0.77820
force_rgl> df(natom) -0.76603 0.21323 0.48780
2255.0000 -213.49155 -204.37997 9.11158 2.73328 -202.98437 855.59799
2260.0000 -215.01714 -206.46015 8.55699 2.62897 -205.03234 819.92741
2265.0000 -211.44028 -203.49332 7.94696 2.63301 -204.95306 818.11202
2270.0000 -211.80510 -200.94766 10.85745 2.72193 -203.20719 853.99965
2275.0000 -213.55860 -203.94100 9.61759 2.71704 -203.30310 864.31834
2280.0000 -215.08554 -204.67262 10.41292 2.63913 -204.83290 806.19502
2285.0000 -215.50506 -208.58516 6.91990 2.53653 -206.84729 730.63727
2290.0000 -215.15709 -205.81067 9.34642 2.51027 -207.36299 739.07178
2295.0000 -214.47175 -204.44092 10.03083 2.61131 -205.37903 774.73011
2300.0000 -214.44329 -204.69865 9.74464 2.65336 -204.55345 816.24927
2305.0000 -214.12141 -204.24554 9.87586 2.67596 -204.10972 857.04564
2310.0000 -214.03231 -205.55629 8.47602 2.65223 -204.57562 809.93787
2315.0000 -213.95308 -204.27078 9.68229 2.64386 -204.74006 808.64389
2320.0000 -213.64612 -205.45282 8.19330 2.61815 -205.24476 800.75393
2325.0000 -214.65902 -206.79682 7.86219 2.56961 -206.19787 763.54305
2330.0000 -213.36810 -204.25112 9.11698 2.57420 -206.10767 762.03218
2335.0000 -213.92166 -204.85346 9.06820 2.64608 -204.69644 821.54393
2340.0000 -212.97279 -204.46040 8.51240 2.67315 -204.16480 792.89529
2345.0000 -213.64952 -204.34829 9.30123 2.64756 -204.66723 809.04163
2350.0000 -215.16326 -207.15063 8.01264 2.57474 -206.09718 784.69881
2355.0000 -214.39779 -205.40788 8.98991 2.59103 -205.77725 797.54905
2360.0000 -214.59275 -204.39886 10.19389 2.61906 -205.22682 813.79200
2365.0000 -214.65695 -205.04212 9.61483 2.68937 -203.84636 848.59248
2370.0000 -212.31376 -202.77828 9.53548 2.70662 -203.50780 875.62492
2375.0000 -212.47484 -203.79239 8.68244 2.73380 -202.97407 863.03419
2380.0000 -213.77134 -204.75079 9.02055 2.68471 -203.93799 837.62083
2385.0000 -212.51698 -202.93884 9.57814 2.70313 -203.57628 858.20108
2390.0000 -212.41976 -203.54493 8.87483 2.74440 -202.76597 888.61641
2395.0000 -212.54527 -204.41753 8.12774 2.67376 -204.15294 834.78530
2400.0000 -213.98854 -205.94008 8.04846 2.62471 -205.11589 784.58827
2405.0000 -215.52014 -206.47825 9.04189 2.59219 -205.75440 774.45846
2410.0000 -214.48540 -205.90156 8.58384 2.57946 -206.00437 755.67225
2415.0000 -213.85955 -204.32547 9.53409 2.65641 -204.49362 825.17434
2420.0000 -213.90347 -205.70803 8.19544 2.63425 -204.92862 791.83285
2425.0000 -213.02218 -203.66947 9.35271 2.62112 -205.18641 802.11506
2430.0000 -213.89819 -205.80311 8.09508 2.65611 -204.49939 799.73900
2435.0000 -214.64013 -206.38382 8.25632 2.54638 -206.65389 741.86953
2440.0000 -213.71411 -203.67473 10.03939 2.63302 -204.95278 810.17592
2445.0000 -212.10406 -203.33419 8.76988 2.73655 -202.92007 889.01970
2450.0000 -214.70503 -205.30912 9.39591 2.68602 -203.91226 856.37296
2455.0000 -213.18636 -204.47460 8.71176 2.58206 -205.95332 793.27503
2460.0000 -214.49821 -204.47857 10.01964 2.62686 -205.07367 785.67467
2465.0000 -213.51780 -204.90935 8.60845 2.65221 -204.57595 826.92044
2470.0000 -213.50686 -202.57795 10.92891 2.68984 -203.83709 857.04376
2475.0000 -213.95116 -205.71438 8.23678 2.69454 -203.74486 837.06368
2480.0000 -215.02018 -206.31547 8.70471 2.57189 -206.15309 756.21603
2485.0000 -215.16729 -206.43453 8.73276 2.58614 -205.87319 785.84884
2490.0000 -213.66641 -205.70012 7.96629 2.59711 -205.65795 793.87638
2495.0000 -212.05421 -203.35793 8.69628 2.66916 -204.24329 819.44256
2500.0000 -213.84282 -204.75505 9.08776 2.68487 -203.93473 843.62001
FREEZING PROCESS: loop number 11 T-loop= 814.00000000000000
main_MD> interactions number 11 at Temperature= 814.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.21819 -4.19916 2.13317
force_rgl> df(natom) -0.16128 0.16873 -0.39388
2505.0000 -212.87630 -203.96032 8.91598 2.69108 -203.81280 860.69438
2510.0000 -213.41807 -204.57466 8.84341 2.66932 -204.24012 835.44909
2515.0000 -213.34159 -203.92979 9.41179 2.68341 -203.96338 829.18449
2520.0000 -213.85747 -203.80132 10.05615 2.70232 -203.59218 847.38816
2525.0000 -210.57112 -201.00020 9.57092 2.71909 -203.26285 845.90418
2530.0000 -211.11122 -201.47486 9.63636 2.79951 -201.68400 903.49822
2535.0000 -212.38857 -202.30925 10.07933 2.79634 -201.74609 890.14151
2540.0000 -215.07092 -205.96991 9.10101 2.62051 -205.19834 809.85794
2545.0000 -215.88524 -207.37545 8.50979 2.52592 -207.05559 745.07804
2550.0000 -214.68113 -206.58157 8.09956 2.58425 -205.91039 778.30347
2555.0000 -214.56302 -204.29106 10.27196 2.59484 -205.70250 769.59646
2560.0000 -214.83948 -205.40902 9.43047 2.63528 -204.90849 801.89004
2565.0000 -213.72536 -205.22473 8.50063 2.65815 -204.45949 840.29570
2570.0000 -214.53343 -205.75240 8.78103 2.62665 -205.07796 791.43809
2575.0000 -213.67314 -205.67620 7.99693 2.60957 -205.41328 768.28666
2580.0000 -213.08056 -203.16052 9.92003 2.65299 -204.56071 828.49153
2585.0000 -214.41395 -205.31167 9.10228 2.64635 -204.69108 810.62141
2590.0000 -213.21675 -204.49998 8.71677 2.63498 -204.91438 810.47056
2595.0000 -214.14229 -205.44948 8.69280 2.61784 -205.25083 797.41072
2600.0000 -213.88606 -203.57142 10.31464 2.68032 -204.02403 836.95980
2605.0000 -212.32860 -202.20005 10.12855 2.76166 -202.42714 882.43950
2610.0000 -214.05823 -205.16667 8.89156 2.68782 -203.87687 820.68291
2615.0000 -215.18235 -207.04524 8.13711 2.54097 -206.76010 735.35646
2620.0000 -215.51486 -206.38378 9.13108 2.53597 -206.85824 757.67575
2625.0000 -214.15122 -205.94796 8.20326 2.58295 -205.93595 804.04350
2630.0000 -215.15060 -205.79262 9.35798 2.59492 -205.70090 804.87610
2635.0000 -214.59394 -205.45319 9.14074 2.56790 -206.23141 778.87063
2640.0000 -215.10406 -205.99967 9.10438 2.56464 -206.29540 781.75962
2645.0000 -214.28424 -204.07719 10.20705 2.63205 -204.97177 800.04230
2650.0000 -213.98815 -205.00065 8.98750 2.65845 -204.45357 826.26628
2655.0000 -213.43844 -204.79256 8.64588 2.63629 -204.88865 809.77812
2660.0000 -214.26363 -204.85778 9.40585 2.64299 -204.75696 803.94621
2665.0000 -214.39327 -204.93543 9.45785 2.61368 -205.33252 770.37276
2670.0000 -214.48221 -205.35343 9.12878 2.62869 -205.03785 806.07123
2675.0000 -212.97372 -204.01340 8.96033 2.68759 -203.88135 863.34553
2680.0000 -212.95338 -204.47534 8.47804 2.67197 -204.18803 825.01417
2685.0000 -213.96681 -205.14889 8.81792 2.67039 -204.21912 833.25561
2690.0000 -212.01132 -202.70283 9.30849 2.68739 -203.88524 812.91755
2695.0000 -213.41195 -203.83827 9.57367 2.68931 -203.84758 831.40298
2700.0000 -214.13428 -203.42936 10.70492 2.66577 -204.30983 845.63686
2705.0000 -214.47517 -204.76118 9.71399 2.62055 -205.19755 801.88910
2710.0000 -211.97263 -202.47970 9.49293 2.69560 -203.72415 842.62047
2715.0000 -214.10955 -204.15931 9.95024 2.71302 -203.38200 837.54362
2720.0000 -213.94992 -205.73448 8.21544 2.63232 -204.96649 799.82549
2725.0000 -212.06312 -203.12708 8.93604 2.68688 -203.89523 807.48931
2730.0000 -212.90896 -204.35730 8.55166 2.71925 -203.25969 856.74106
2735.0000 -213.68535 -205.77551 7.90984 2.62328 -205.14395 774.09633
2740.0000 -214.12298 -206.60760 7.51539 2.55594 -206.46616 750.49614
2745.0000 -214.09220 -205.18662 8.90558 2.56030 -206.38060 759.62620
2750.0000 -213.47287 -204.24232 9.23055 2.59406 -205.71777 793.63230
FREEZING PROCESS: loop number 12 T-loop= 789.00000000000000
main_MD> interactions number 12 at Temperature= 789.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28022 2.13219 0.13712
force_rgl> df(natom) 1.34142 -2.69986 -3.26693
2755.0000 -215.39868 -205.41091 9.98777 2.59947 -205.61145 804.14146
2760.0000 -216.22709 -207.89623 8.33085 2.55245 -206.53475 749.84285
2765.0000 -214.86165 -206.12172 8.73993 2.49168 -207.72788 716.47616
2770.0000 -215.08663 -205.60289 9.48373 2.57706 -206.05158 750.36883
2775.0000 -214.10823 -205.58434 8.52389 2.58292 -205.93641 766.02746
2780.0000 -214.87381 -206.18401 8.68979 2.64029 -204.81007 784.86811
2785.0000 -214.60153 -207.20405 7.39749 2.52805 -207.01375 729.46306
2790.0000 -215.06638 -206.69537 8.37101 2.54722 -206.63751 767.84128
2795.0000 -216.26942 -207.25666 9.01276 2.55746 -206.43635 755.03144
2800.0000 -215.11994 -207.50316 7.61678 2.51134 -207.34181 722.40456
2805.0000 -215.50123 -206.06580 9.43543 2.55584 -206.46821 762.22136
2810.0000 -215.00053 -206.91801 8.08252 2.54116 -206.75637 757.15168
2815.0000 -214.30191 -205.50511 8.79680 2.56818 -206.22590 760.88737
2820.0000 -214.46248 -205.31406 9.14842 2.57749 -206.04319 780.95907
2825.0000 -214.83172 -205.77505 9.05667 2.56047 -206.37726 747.20520
2830.0000 -215.14639 -206.66220 8.48419 2.58160 -205.96231 764.93639
2835.0000 -215.30022 -206.99035 8.30987 2.52724 -207.02967 729.54118
2840.0000 -214.68443 -205.93927 8.74515 2.53072 -206.96136 757.81300
2845.0000 -215.31603 -207.49799 7.81804 2.56603 -206.26810 765.67770
2850.0000 -214.24085 -205.68576 8.55509 2.52958 -206.98385 733.73619
2855.0000 -214.79492 -206.76119 8.03373 2.60741 -205.45563 781.76353
2860.0000 -215.65198 -207.57198 8.08000 2.50588 -207.44916 741.11513
2865.0000 -214.98003 -206.47914 8.50089 2.53730 -206.83227 767.63837
2870.0000 -213.36339 -205.92649 7.43690 2.54796 -206.62298 754.56565
2875.0000 -213.56563 -204.71553 8.85010 2.61950 -205.21823 776.31574
2880.0000 -216.41431 -208.22424 8.19007 2.53863 -206.80606 755.18427
2885.0000 -215.57703 -207.15694 8.42010 2.49140 -207.73345 716.80102
2890.0000 -216.27828 -207.93900 8.33928 2.51893 -207.19293 749.36582
2895.0000 -215.85747 -208.19605 7.66143 2.46785 -208.19585 718.04901
2900.0000 -213.97996 -206.20473 7.77523 2.57119 -206.16679 756.71528
2905.0000 -215.34676 -205.79089 9.55587 2.56687 -206.25164 730.38048
2910.0000 -213.89735 -205.74520 8.15215 2.59415 -205.71599 779.28503
2915.0000 -214.25484 -205.24795 9.00689 2.59961 -205.60878 776.66035
2920.0000 -213.43598 -204.04349 9.39249 2.63735 -204.86771 811.06219
2925.0000 -213.30124 -205.05267 8.24857 2.69912 -203.65492 861.39714
2930.0000 -212.99977 -204.81619 8.18358 2.63831 -204.84897 802.44182
2935.0000 -214.28869 -205.52583 8.76286 2.62089 -205.19097 802.16160
2940.0000 -213.00098 -205.31512 7.68587 2.64875 -204.64392 807.12348
2945.0000 -215.85067 -206.60853 9.24214 2.61673 -205.27266 789.91027
2950.0000 -214.67280 -205.76922 8.90359 2.56228 -206.34167 781.46965
2955.0000 -214.47071 -206.06128 8.40943 2.57571 -206.07797 764.01608
2960.0000 -213.56547 -204.75030 8.81517 2.64991 -204.62123 810.98806
2965.0000 -213.73868 -206.00116 7.73752 2.62161 -205.17689 794.09211
2970.0000 -216.07032 -206.15952 9.91080 2.56010 -206.38449 761.98066
2975.0000 -214.58164 -206.22459 8.35705 2.57402 -206.11116 789.96860
2980.0000 -213.60036 -204.70029 8.90006 2.61377 -205.33070 801.04777
2985.0000 -214.53069 -205.48514 9.04555 2.60473 -205.50830 789.76739
2990.0000 -213.42127 -203.67533 9.74594 2.66135 -204.39660 824.31634
2995.0000 -213.60681 -205.26172 8.34509 2.68080 -204.01476 842.62749
3000.0000 -213.51280 -204.96124 8.55156 2.61880 -205.23201 790.36027
FREEZING PROCESS: loop number 13 T-loop= 764.00000000000000
main_MD> interactions number 13 at Temperature= 764.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.64351 0.29959 0.19159
force_rgl> df(natom) 1.50038 0.56712 -1.64420
3005.0000 -213.63547 -205.35338 8.28209 2.62500 -205.11021 807.75751
3010.0000 -212.42157 -203.87113 8.55044 2.66213 -204.38116 835.10177
3015.0000 -212.93842 -203.83818 9.10023 2.64689 -204.68046 834.49804
3020.0000 -215.07776 -204.80736 10.27040 2.68295 -203.97254 832.61652
3025.0000 -214.76257 -205.56152 9.20105 2.57619 -206.06858 773.08999
3030.0000 -214.09714 -204.95566 9.14148 2.60188 -205.56426 789.94858
3035.0000 -214.77904 -204.81175 9.96729 2.63320 -204.94922 834.91499
3040.0000 -215.57320 -206.18654 9.38666 2.59322 -205.73416 793.94341
3045.0000 -216.33620 -207.31739 9.01881 2.56228 -206.34164 777.89090
3050.0000 -216.75044 -208.72880 8.02164 2.47235 -208.10737 724.97441
3055.0000 -215.19184 -206.99574 8.19609 2.49569 -207.64916 729.67926
3060.0000 -214.87000 -206.87416 7.99585 2.55744 -206.43685 754.64803
3065.0000 -215.72895 -207.95181 7.77714 2.51138 -207.34110 743.75508
3070.0000 -216.09522 -208.06470 8.03052 2.44767 -208.59191 689.40993
3075.0000 -215.75126 -207.41644 8.33483 2.47562 -208.04329 670.24477
3080.0000 -216.42052 -207.39535 9.02517 2.50021 -207.56050 743.60728
3085.0000 -213.88088 -206.04944 7.83144 2.55427 -206.49905 761.39789
3090.0000 -214.69295 -207.20795 7.48500 2.55488 -206.48710 734.58951
3095.0000 -214.53881 -205.43976 9.09906 2.54768 -206.62846 743.90796
3100.0000 -214.38314 -205.70395 8.67919 2.61007 -205.40349 782.36306
3105.0000 -214.20913 -205.37835 8.83078 2.60597 -205.48400 787.45943
3110.0000 -215.07403 -206.27943 8.79461 2.60182 -205.56534 780.81244
3115.0000 -213.38880 -203.42147 9.96733 2.64565 -204.70491 814.73819
3120.0000 -213.79469 -203.79557 9.99912 2.70220 -203.59455 838.21162
3125.0000 -215.86317 -207.40706 8.45611 2.59004 -205.79674 779.28965
3130.0000 -216.74230 -208.55877 8.18353 2.46656 -208.22120 719.53676
3135.0000 -216.55570 -208.75371 7.80199 2.43569 -208.82730 681.87447
3140.0000 -214.25891 -205.34577 8.91314 2.57459 -206.10007 778.83579
3145.0000 -214.88918 -206.13554 8.75364 2.58869 -205.82328 790.68179
3150.0000 -214.86626 -204.98830 9.87796 2.62801 -205.05124 811.24716
3155.0000 -215.33264 -206.97387 8.35877 2.55448 -206.49477 761.06357
3160.0000 -215.17973 -206.04268 9.13705 2.53606 -206.85656 738.82087
3165.0000 -213.53143 -204.71990 8.81153 2.60850 -205.43431 777.99404
3170.0000 -214.24065 -205.37253 8.86813 2.64351 -204.74685 821.83515
3175.0000 -215.12607 -205.72621 9.39986 2.61625 -205.28213 794.67578
3180.0000 -215.47150 -207.90973 7.56177 2.55903 -206.40557 761.65933
3185.0000 -216.26074 -207.77692 8.48382 2.52042 -207.16365 760.50704
3190.0000 -214.43441 -205.74314 8.69127 2.56540 -206.28056 758.86525
3195.0000 -214.02416 -204.87970 9.14446 2.63972 -204.82131 787.28030
3200.0000 -216.00873 -206.32876 9.67997 2.58279 -205.93898 777.93948
3205.0000 -217.62940 -209.69408 7.93532 2.53591 -206.85945 768.05029
3210.0000 -215.09593 -206.75376 8.34217 2.46608 -208.23050 709.17057
3215.0000 -215.40510 -208.33916 7.06593 2.50024 -207.55989 740.49602
3220.0000 -215.56837 -206.14444 9.42393 2.51718 -207.22715 732.74947
3225.0000 -215.55228 -206.97552 8.57677 2.54983 -206.58615 756.30622
3230.0000 -214.85248 -207.29972 7.55276 2.51164 -207.33608 722.31743
3235.0000 -214.41724 -205.98861 8.42863 2.51399 -207.28977 728.05679
3240.0000 -214.52080 -204.94096 9.57984 2.61915 -205.22519 793.24749
3245.0000 -214.07555 -204.29911 9.77644 2.70634 -203.51313 838.43478
3250.0000 -214.28339 -205.78805 8.49534 2.58349 -205.92528 773.29824
FREEZING PROCESS: loop number 14 T-loop= 739.00000000000000
main_MD> interactions number 14 at Temperature= 739.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.11532 0.88218 -1.45255
force_rgl> df(natom) -1.28070 -1.12291 0.19795
3255.0000 -216.04246 -207.46848 8.57399 2.54532 -206.67470 747.26839
3260.0000 -216.57538 -207.96457 8.61081 2.55679 -206.44944 765.24244
3265.0000 -216.83068 -209.39575 7.43493 2.44709 -208.60341 701.47611
3270.0000 -216.31153 -206.70876 9.60277 2.50313 -207.50313 714.53135
3275.0000 -214.57788 -207.41342 7.16447 2.51798 -207.21145 734.60774
3280.0000 -216.46913 -208.38964 8.07949 2.50226 -207.52016 709.98308
3285.0000 -214.07343 -205.53579 8.53764 2.56753 -206.23864 755.94374
3290.0000 -215.85654 -208.63368 7.22286 2.52324 -207.10818 741.03859
3295.0000 -215.00793 -205.44479 9.56314 2.51510 -207.26812 727.67833
3300.0000 -216.84864 -207.71430 9.13433 2.58854 -205.82614 771.10950
3305.0000 -214.53732 -205.84906 8.68825 2.50888 -207.39023 717.68819
3310.0000 -216.08472 -207.55516 8.52956 2.53245 -206.92736 746.10554
3315.0000 -215.04067 -206.32400 8.71667 2.53876 -206.80343 749.92145
3320.0000 -214.90504 -206.30733 8.59771 2.56217 -206.34384 770.25345
3325.0000 -215.98260 -208.25961 7.72299 2.51316 -207.30623 711.10614
3330.0000 -215.92875 -208.26290 7.66585 2.46920 -208.16931 702.90302
3335.0000 -216.51160 -207.83102 8.68058 2.49470 -207.66860 729.41261
3340.0000 -215.87802 -207.28655 8.59147 2.48102 -207.93724 720.05952
3345.0000 -215.93997 -208.57072 7.36925 2.49993 -207.56597 706.21395
3350.0000 -215.84487 -207.97776 7.86711 2.48923 -207.77609 740.97638
3355.0000 -214.74820 -206.45650 8.29170 2.51850 -207.20135 725.94725
3360.0000 -216.05657 -208.17411 7.88246 2.51974 -207.17703 725.09501
3365.0000 -215.15652 -207.64037 7.51616 2.48584 -207.84251 692.03926
3370.0000 -216.29197 -208.94406 7.34791 2.45023 -208.54171 701.14726
3375.0000 -215.91672 -206.98824 8.92849 2.44533 -208.63796 677.68744
3380.0000 -215.91007 -206.23193 9.67814 2.57543 -206.08354 753.69521
3385.0000 -217.51390 -208.79462 8.71928 2.53309 -206.91488 742.80678
3390.0000 -215.82323 -206.33012 9.49311 2.50957 -207.37659 740.74683
3395.0000 -216.88362 -209.13032 7.75330 2.51099 -207.34880 733.30128
3400.0000 -214.13460 -206.44604 7.68856 2.47078 -208.13827 690.77613
3405.0000 -214.49943 -205.63154 8.86789 2.57124 -206.16589 751.20302
3410.0000 -214.39634 -205.96977 8.42657 2.57202 -206.15048 754.72501
3415.0000 -214.88898 -206.28954 8.59945 2.56180 -206.35118 754.15684
3420.0000 -215.76449 -207.33921 8.42527 2.51709 -207.22908 751.62103
3425.0000 -215.80581 -207.20021 8.60560 2.45584 -208.43155 711.52271
3430.0000 -216.34046 -208.70424 7.63621 2.47431 -208.06899 713.64502
3435.0000 -217.35290 -209.35827 7.99463 2.42323 -209.07179 680.40822
3440.0000 -215.66492 -208.69261 6.97231 2.47870 -207.98269 712.68643
3445.0000 -214.05509 -206.05653 7.99856 2.53275 -206.92160 726.06910
3450.0000 -215.88338 -207.44790 8.43548 2.52107 -207.15075 728.28780
3455.0000 -216.60085 -209.71141 6.88944 2.45011 -208.54408 682.82546
3460.0000 -216.23953 -209.08281 7.15672 2.42312 -209.07402 649.42998
3465.0000 -215.65785 -207.84491 7.81294 2.47399 -208.07525 704.81577
3470.0000 -215.11232 -207.42604 7.68628 2.46127 -208.32506 696.80243
3475.0000 -214.54371 -206.18320 8.36051 2.52936 -206.98811 724.42141
3480.0000 -216.06286 -207.67124 8.39162 2.54957 -206.59130 757.72326
3485.0000 -216.22001 -210.09519 6.12482 2.42265 -209.08317 656.05312
3490.0000 -217.85978 -209.24535 8.61443 2.37095 -210.09838 640.29902
3495.0000 -216.43927 -208.48775 7.95152 2.40206 -209.48758 657.29949
3500.0000 -215.72409 -206.74195 8.98214 2.51525 -207.26508 731.08142
FREEZING PROCESS: loop number 15 T-loop= 714.00000000000000
main_MD> interactions number 15 at Temperature= 714.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24495 2.63854 0.25059
force_rgl> df(natom) -1.05200 -1.94425 -1.05780
3505.0000 -217.51006 -209.91124 7.59882 2.47166 -208.12092 715.88451
3510.0000 -218.30778 -211.75864 6.54914 2.33546 -210.79506 632.30377
3515.0000 -217.05239 -209.41597 7.63642 2.38280 -209.86564 666.52875
3520.0000 -216.58606 -209.31083 7.27522 2.43246 -208.89067 681.00771
3525.0000 -215.76713 -209.05563 6.71150 2.42168 -209.10225 671.56239
3530.0000 -217.21785 -208.96810 8.24976 2.44011 -208.74049 692.04951
3535.0000 -217.96438 -209.90055 8.06383 2.37832 -209.95365 656.67272
3540.0000 -214.10090 -207.55270 6.54820 2.42935 -208.95170 670.62806
3545.0000 -216.04353 -208.55932 7.48421 2.50119 -207.54110 729.83976
3550.0000 -216.09504 -207.36179 8.73325 2.47477 -208.05990 709.19461
3555.0000 -215.00903 -207.73778 7.27125 2.54249 -206.73030 753.38691
3560.0000 -216.45724 -208.34170 8.11554 2.47837 -207.98929 724.10489
3565.0000 -216.80805 -207.81893 8.98913 2.45469 -208.45416 712.77951
3570.0000 -214.92660 -206.88351 8.04309 2.48085 -207.94062 711.77424
3575.0000 -215.84547 -206.42653 9.41894 2.54146 -206.75052 745.37153
3580.0000 -214.98379 -206.69018 8.29361 2.53705 -206.83709 736.72313
3585.0000 -215.41900 -207.18210 8.23690 2.51158 -207.33709 698.18379
3590.0000 -216.90110 -208.79486 8.10625 2.46395 -208.27227 679.68973
3595.0000 -216.33238 -208.75255 7.57983 2.41613 -209.21130 661.80711
3600.0000 -216.17846 -209.12044 7.05802 2.43605 -208.82018 675.15531
3605.0000 -217.12567 -209.10955 8.01612 2.43622 -208.81687 668.75841
3610.0000 -215.68272 -208.43108 7.25164 2.46186 -208.31338 699.28920
3615.0000 -217.96225 -210.15951 7.80274 2.43529 -208.83517 675.61579
3620.0000 -216.13650 -208.90798 7.22852 2.38217 -209.87813 660.82574
3625.0000 -217.41325 -210.14516 7.26808 2.40790 -209.37281 680.77786
3630.0000 -216.29509 -207.92296 8.37213 2.44074 -208.72802 721.04415
3635.0000 -215.06933 -206.43734 8.63199 2.47556 -208.04431 723.78127
3640.0000 -216.12537 -208.00692 8.11845 2.49881 -207.58792 727.48258
3645.0000 -216.08003 -207.23902 8.84101 2.49204 -207.72086 713.40575
3650.0000 -214.90786 -205.85472 9.05314 2.57242 -206.14259 766.87754
3655.0000 -214.74876 -206.14612 8.60264 2.56986 -206.19293 761.30957
3660.0000 -214.44603 -206.53995 7.90608 2.58382 -205.91888 775.04209
3665.0000 -214.23131 -205.80132 8.42999 2.50914 -207.38505 712.68392
3670.0000 -215.50574 -206.55159 8.95414 2.56846 -206.22032 767.87534
3675.0000 -215.77725 -207.89647 7.88078 2.51458 -207.27823 732.12843
3680.0000 -215.32518 -207.77391 7.55127 2.49816 -207.60068 722.54003
3685.0000 -217.28383 -208.51306 8.77077 2.47302 -208.09420 698.95683
3690.0000 -216.08994 -208.19394 7.89600 2.45390 -208.46965 696.95460
3695.0000 -215.33737 -207.88944 7.44793 2.47302 -208.09432 700.11053
3700.0000 -215.89799 -207.82059 8.07740 2.44931 -208.55988 685.43830
3705.0000 -215.93059 -209.11741 6.81319 2.48934 -207.77386 737.23959
3710.0000 -215.45707 -208.59720 6.85987 2.48129 -207.93186 700.49315
3715.0000 -214.87318 -207.81303 7.06015 2.49104 -207.74039 706.65923
3720.0000 -213.62935 -206.08335 7.54599 2.54590 -206.66343 742.90169
3725.0000 -215.65135 -208.49108 7.16027 2.53005 -206.97446 741.92922
3730.0000 -216.06878 -206.94512 9.12366 2.45179 -208.51114 687.00945
3735.0000 -216.69348 -208.59197 8.10151 2.46739 -208.20479 721.47954
3740.0000 -216.84878 -208.53958 8.30920 2.43517 -208.83734 723.08120
3745.0000 -215.76907 -208.44343 7.32564 2.42638 -209.01009 673.84103
3750.0000 -216.72233 -209.11937 7.60296 2.42433 -209.05020 677.23618
FREEZING PROCESS: loop number 16 T-loop= 689.00000000000000
main_MD> interactions number 16 at Temperature= 689.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.52141 -1.48119 4.36804
force_rgl> df(natom) 2.25850 1.40541 0.13612
3755.0000 -216.32722 -208.64193 7.68529 2.41551 -209.22340 670.02800
3760.0000 -216.42625 -208.57511 7.85114 2.44348 -208.67422 688.38134
3765.0000 -216.99964 -210.00983 6.98981 2.38255 -209.87066 658.05127
3770.0000 -216.44252 -208.63503 7.80750 2.40878 -209.35563 697.98429
3775.0000 -216.66156 -209.13471 7.52685 2.41197 -209.29286 684.01678
3780.0000 -216.08420 -207.51933 8.56486 2.47041 -208.14547 729.79677
3785.0000 -217.16376 -208.66373 8.50004 2.46166 -208.31730 701.56862
3790.0000 -215.00214 -208.21665 6.78550 2.45304 -208.48647 685.80823
3795.0000 -217.72193 -210.16509 7.55683 2.40772 -209.37646 650.28742
3800.0000 -216.69274 -209.62078 7.07196 2.39718 -209.58325 659.95619
3805.0000 -216.67501 -209.49915 7.17586 2.42077 -209.12013 667.92369
3810.0000 -217.52429 -211.65365 5.87064 2.37282 -210.06170 649.96667
3815.0000 -218.35244 -210.34268 8.00976 2.41559 -209.22178 683.72360
3820.0000 -217.45233 -209.82145 7.63087 2.38155 -209.89022 675.66190
3825.0000 -216.83186 -208.92073 7.91114 2.38487 -209.82508 672.80011
3830.0000 -217.84142 -210.27487 7.56655 2.41248 -209.28289 658.39827
3835.0000 -218.05491 -211.13407 6.92084 2.34621 -210.58402 621.55195
3840.0000 -217.65737 -211.17047 6.48690 2.32804 -210.94092 620.83632
3845.0000 -217.25713 -209.88279 7.37434 2.32911 -210.91976 624.17334
3850.0000 -215.15650 -208.86957 6.28693 2.37603 -209.99859 640.82083
3855.0000 -216.08048 -208.44465 7.63583 2.45540 -208.44026 708.97962
3860.0000 -218.05619 -209.84646 8.20974 2.41402 -209.25264 679.83065
3865.0000 -216.25593 -208.52117 7.73476 2.41003 -209.33102 673.78993
3870.0000 -216.68017 -208.54060 8.13957 2.42638 -209.01004 660.41454
3875.0000 -216.75501 -209.25496 7.50005 2.42208 -209.09448 673.54983
3880.0000 -218.03229 -210.36376 7.66853 2.40011 -209.52577 676.93463
3885.0000 -217.14648 -209.54349 7.60299 2.36561 -210.20310 654.23655
3890.0000 -216.46082 -209.48095 6.97987 2.38288 -209.86407 668.19871
3895.0000 -216.13890 -209.31748 6.82141 2.41162 -209.29976 657.12403
3900.0000 -215.99895 -208.54671 7.45224 2.42841 -208.97015 678.06180
3905.0000 -217.69856 -209.30446 8.39410 2.41039 -209.32391 687.51393
3910.0000 -217.72912 -210.46844 7.26068 2.36184 -210.27715 643.86037
3915.0000 -217.86751 -209.92009 7.94742 2.36028 -210.30779 655.00956
3920.0000 -217.57756 -209.82931 7.74825 2.38876 -209.74863 661.73185
3925.0000 -216.78989 -208.47122 8.31867 2.41792 -209.17616 676.78400
3930.0000 -215.23401 -206.98794 8.24607 2.49459 -207.67077 736.36915
3935.0000 -214.39067 -206.79984 7.59083 2.52739 -207.02675 763.44166
3940.0000 -216.23904 -207.09358 9.14546 2.54093 -206.76101 751.05543
3945.0000 -216.02076 -207.30412 8.71664 2.47565 -208.04256 711.96169
3950.0000 -217.08418 -208.84800 8.23618 2.46232 -208.30440 706.61270
3955.0000 -216.56124 -208.34852 8.21272 2.44295 -208.68465 678.66097
3960.0000 -216.41835 -207.63286 8.78549 2.49243 -207.71313 718.51999
3965.0000 -216.68765 -208.65030 8.03735 2.44548 -208.63497 674.31432
3970.0000 -216.46761 -208.98732 7.48030 2.41750 -209.18442 638.63622
3975.0000 -216.57661 -208.23213 8.34448 2.47888 -207.97916 703.63261
3980.0000 -217.25473 -210.46997 6.78476 2.42252 -209.08580 662.54700
3985.0000 -216.98981 -210.07810 6.91171 2.39917 -209.54426 659.41658
3990.0000 -216.13896 -208.78838 7.35057 2.38948 -209.73453 673.46619
3995.0000 -217.93885 -210.57496 7.36389 2.33534 -210.79758 638.10858
4000.0000 -217.75550 -211.25669 6.49881 2.29182 -211.65194 603.41192
FREEZING PROCESS: loop number 17 T-loop= 664.00000000000000
main_MD> interactions number 17 at Temperature= 664.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.20060 3.27643 0.62357
force_rgl> df(natom) 0.89657 -2.76050 0.42568
4005.0000 -218.02828 -210.10221 7.92607 2.33021 -210.89829 644.23311
4010.0000 -218.43685 -211.91556 6.52129 2.34933 -210.52274 645.06780
4015.0000 -217.35294 -210.35809 6.99484 2.35143 -210.48152 628.53000
4020.0000 -216.33175 -208.76926 7.56250 2.39694 -209.58799 675.28885
4025.0000 -215.74346 -207.41245 8.33101 2.47546 -208.04644 703.86724
4030.0000 -217.23596 -209.06232 8.17364 2.46494 -208.25292 694.63219
4035.0000 -217.91284 -210.79992 7.11291 2.36839 -210.14861 639.94634
4040.0000 -218.47777 -210.48673 7.99104 2.35553 -210.40113 658.75798
4045.0000 -216.85027 -209.23770 7.61257 2.35318 -210.44732 638.51688
4050.0000 -215.69364 -207.75434 7.93930 2.44362 -208.67148 682.02460
4055.0000 -215.53225 -209.21047 6.32178 2.46180 -208.31449 687.40591
4060.0000 -216.13142 -208.17431 7.95711 2.43031 -208.93294 665.81767
4065.0000 -217.75925 -210.07104 7.68821 2.48917 -207.77714 714.37160
4070.0000 -218.52973 -211.89309 6.63664 2.31004 -211.29425 619.00426
4075.0000 -217.38539 -210.68401 6.70138 2.32079 -211.08314 634.82119
4080.0000 -215.98551 -209.72401 6.26150 2.33081 -210.88646 614.96875
4085.0000 -216.27053 -208.60095 7.66958 2.43818 -208.77843 697.36108
4090.0000 -217.72624 -210.62286 7.10338 2.38863 -209.75124 649.92883
4095.0000 -216.87688 -208.28037 8.59651 2.38499 -209.82275 648.79765
4100.0000 -216.30154 -208.61325 7.68829 2.42625 -209.01260 665.81941
4105.0000 -216.65948 -208.15065 8.50883 2.45845 -208.38034 697.08785
4110.0000 -216.10016 -207.48710 8.61306 2.46647 -208.22289 705.96721
4115.0000 -216.49793 -207.89210 8.60583 2.45910 -208.36751 692.99445
4120.0000 -216.85237 -209.38828 7.46409 2.44565 -208.63173 679.33788
4125.0000 -216.39616 -209.42896 6.96720 2.43129 -208.91362 654.40306
4130.0000 -215.88425 -208.07761 7.80663 2.41179 -209.29642 654.12912
4135.0000 -217.17472 -209.51486 7.65986 2.43586 -208.82390 682.03100
4140.0000 -217.94997 -210.76106 7.18892 2.34555 -210.59701 632.44755
4145.0000 -217.58009 -211.18581 6.39429 2.32243 -211.05099 619.50830
4150.0000 -217.05597 -209.89256 7.16341 2.35322 -210.44644 616.68410
4155.0000 -216.34736 -209.06068 7.28668 2.39691 -209.58870 651.33069
4160.0000 -217.78234 -209.50507 8.27727 2.41472 -209.23900 684.28125
4165.0000 -217.98250 -210.49595 7.48655 2.32637 -210.97368 645.54634
4170.0000 -217.68338 -210.92252 6.76087 2.32357 -211.02869 633.00421
4175.0000 -218.54120 -209.90493 8.63627 2.35858 -210.34124 644.91531
4180.0000 -217.90934 -210.58985 7.31949 2.40010 -209.52596 682.94668
4185.0000 -217.02943 -209.53585 7.49358 2.39423 -209.64117 664.93828
4190.0000 -216.92522 -208.81578 8.10944 2.43981 -208.74627 711.74375
4195.0000 -217.16768 -209.87865 7.28903 2.41747 -209.18502 684.78140
4200.0000 -217.94110 -211.23788 6.70322 2.34127 -210.68099 629.90877
4205.0000 -217.18355 -209.64669 7.53686 2.36606 -210.19428 630.54293
4210.0000 -217.48959 -209.39830 8.09128 2.40329 -209.46327 666.92257
4215.0000 -217.45991 -209.58173 7.87818 2.41730 -209.18832 673.57427
4220.0000 -216.81168 -210.03190 6.77978 2.37227 -210.07235 646.64270
4225.0000 -217.41045 -211.09623 6.31422 2.36493 -210.21650 643.66109
4230.0000 -218.40126 -211.72443 6.67683 2.28551 -211.77588 600.00009
4235.0000 -217.78131 -212.14509 5.63623 2.29336 -211.62177 612.82226
4240.0000 -218.07074 -209.76317 8.30757 2.34237 -210.65952 648.96475
4245.0000 -217.42436 -209.76399 7.66037 2.38609 -209.80107 661.45362
4250.0000 -217.83303 -210.17068 7.66235 2.41204 -209.29154 692.81366
FREEZING PROCESS: loop number 18 T-loop= 639.00000000000000
main_MD> interactions number 18 at Temperature= 639.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38564 1.16694 -0.42296
force_rgl> df(natom) 1.74477 3.60666 -1.59189
4255.0000 -216.71020 -209.20703 7.50317 2.40354 -209.45839 692.12295
4260.0000 -217.69183 -210.32725 7.36458 2.40249 -209.47911 675.58820
4265.0000 -217.59372 -209.43818 8.15554 2.38245 -209.87261 656.84153
4270.0000 -217.23649 -210.08276 7.15373 2.41582 -209.21733 678.78860
4275.0000 -218.34086 -211.20862 7.13224 2.29002 -211.68724 608.10208
4280.0000 -219.22874 -213.24673 5.98201 2.23951 -212.67908 564.65689
4285.0000 -218.59298 -210.86861 7.72436 2.25413 -212.39208 567.85938
4290.0000 -217.53831 -209.53258 8.00573 2.39164 -209.69209 669.36837
4295.0000 -218.66823 -210.25024 8.41798 2.39839 -209.55962 675.78080
4300.0000 -216.91047 -209.53324 7.37723 2.39221 -209.68084 662.37833
4305.0000 -218.31095 -211.48221 6.82874 2.35715 -210.36930 635.64928
4310.0000 -217.77034 -210.75678 7.01357 2.33580 -210.78856 598.93686
4315.0000 -216.67631 -209.41318 7.26313 2.37613 -209.99656 633.72976
4320.0000 -216.08927 -208.45246 7.63681 2.45131 -208.52062 701.25540
4325.0000 -216.92322 -209.45977 7.46346 2.39537 -209.61880 682.84535
4330.0000 -217.31807 -211.57959 5.73849 2.33066 -210.88936 630.23306
4335.0000 -218.09210 -210.60214 7.48996 2.32585 -210.98378 601.15585
4340.0000 -218.10020 -209.54799 8.55221 2.38383 -209.84549 656.10279
4345.0000 -217.27283 -210.64130 6.63153 2.40763 -209.37809 707.33323
4350.0000 -217.74324 -210.80878 6.93446 2.34611 -210.58601 649.24620
4355.0000 -218.30526 -210.24859 8.05667 2.30180 -211.45603 605.31986
4360.0000 -216.74574 -209.41556 7.33018 2.38706 -209.78207 661.06431
4365.0000 -216.01017 -208.38530 7.62487 2.43628 -208.81566 675.06573
4370.0000 -217.88193 -209.95315 7.92878 2.41304 -209.27192 650.76529
4375.0000 -216.52538 -209.19239 7.33300 2.38436 -209.83509 658.79432
4380.0000 -216.23535 -208.47558 7.75977 2.47189 -208.11656 722.41236
4385.0000 -216.72003 -209.73533 6.98471 2.38629 -209.79718 661.70041
4390.0000 -217.15980 -210.49566 6.66415 2.34282 -210.65060 628.25016
4395.0000 -216.41423 -208.70005 7.71418 2.37687 -209.98213 639.87946
4400.0000 -216.18147 -207.99451 8.18696 2.43379 -208.86450 690.33948
4405.0000 -218.09005 -210.62755 7.46250 2.40296 -209.46988 655.74103
4410.0000 -217.87885 -210.30813 7.57072 2.37457 -210.02721 640.64225
4415.0000 -217.97946 -209.99369 7.98577 2.37824 -209.95528 641.21134
4420.0000 -216.10548 -208.62801 7.47746 2.40029 -209.52221 651.15996
4425.0000 -217.93399 -211.69108 6.24291 2.36980 -210.12082 627.17937
4430.0000 -218.40832 -210.70353 7.70479 2.31760 -211.14577 621.40493
4435.0000 -216.85343 -210.43826 6.41516 2.33655 -210.77379 621.08986
4440.0000 -216.15663 -208.55243 7.60420 2.37977 -209.92515 643.00611
4445.0000 -217.26319 -208.89562 8.36757 2.44059 -208.73097 703.76640
4450.0000 -216.15399 -207.21516 8.93884 2.47638 -208.02830 726.14747
4455.0000 -216.94655 -209.69965 7.24690 2.44488 -208.64677 686.06966
4460.0000 -216.47051 -209.59622 6.87428 2.38857 -209.75245 632.18196
4465.0000 -217.00849 -208.57896 8.42952 2.45136 -208.51954 696.95124
4470.0000 -217.43156 -210.68139 6.75017 2.36691 -210.17761 652.20244
4475.0000 -217.43414 -210.02910 7.40504 2.36661 -210.18350 654.87179
4480.0000 -216.87346 -209.47722 7.39624 2.37514 -210.01603 679.66647
4485.0000 -217.02908 -210.31109 6.71799 2.36347 -210.24519 656.94246
4490.0000 -217.99820 -211.02233 6.97586 2.36773 -210.16154 670.04836
4495.0000 -217.43419 -211.52014 5.91405 2.28410 -211.80355 591.67221
4500.0000 -218.25170 -210.68727 7.56442 2.34059 -210.69442 602.86186
FREEZING PROCESS: loop number 19 T-loop= 614.00000000000000
main_MD> interactions number 19 at Temperature= 614.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.06941 0.95728 1.20907
force_rgl> df(natom) -2.62956 1.67340 -1.61765
4505.0000 -218.13060 -211.21165 6.91894 2.32577 -210.98542 609.99192
4510.0000 -218.06588 -211.79945 6.26643 2.30608 -211.37206 618.28586
4515.0000 -217.76862 -210.81726 6.95136 2.34012 -210.70374 613.80442
4520.0000 -217.95016 -211.36805 6.58211 2.30859 -211.32263 603.58648
4525.0000 -218.87711 -212.20273 6.67438 2.29910 -211.50908 602.68417
4530.0000 -219.68132 -212.23545 7.44586 2.26202 -212.23717 594.99695
4535.0000 -218.21078 -211.25101 6.95976 2.28889 -211.70955 604.96437
4540.0000 -217.29276 -210.32243 6.97033 2.34712 -210.56617 633.58073
4545.0000 -217.45053 -209.82693 7.62360 2.33882 -210.72912 625.42843
4550.0000 -217.05739 -210.58842 6.46897 2.35978 -210.31759 637.45342
4555.0000 -218.38315 -211.50520 6.87796 2.31244 -211.24707 610.57584
4560.0000 -218.71330 -211.64304 7.07025 2.27237 -212.03391 592.17350
4565.0000 -219.28005 -212.08605 7.19400 2.29644 -211.56119 597.28292
4570.0000 -216.36588 -209.84950 6.51638 2.34778 -210.55316 620.99926
4575.0000 -218.30110 -211.77560 6.52550 2.34361 -210.63505 612.16492
4580.0000 -215.55943 -208.46366 7.09577 2.39511 -209.62397 672.94220
4585.0000 -216.40872 -209.07610 7.33262 2.45804 -208.38836 702.40387
4590.0000 -218.82688 -212.30977 6.51711 2.31264 -211.24329 614.17135
4595.0000 -218.18041 -211.83153 6.34888 2.27364 -212.00891 603.31344
4600.0000 -218.31306 -211.35261 6.96045 2.31268 -211.24238 607.55762
4605.0000 -217.72601 -211.14556 6.58045 2.31669 -211.16377 621.23791
4610.0000 -218.87911 -211.91549 6.96361 2.27810 -211.92128 591.47488
4615.0000 -217.11925 -211.19606 5.92319 2.30701 -211.35371 624.12347
4620.0000 -217.53876 -210.13904 7.39972 2.34563 -210.59541 631.62584
4625.0000 -217.60942 -208.99262 8.61680 2.38583 -209.80612 659.93935
4630.0000 -217.02464 -208.98080 8.04384 2.39981 -209.53163 674.17637
4635.0000 -217.45354 -209.85676 7.59678 2.41011 -209.32945 659.84517
4640.0000 -216.94266 -210.09674 6.84592 2.36257 -210.26277 620.93671
4645.0000 -217.65407 -210.49692 7.15715 2.38177 -209.88583 645.98115
4650.0000 -218.02092 -211.82999 6.19092 2.31441 -211.20851 588.41816
4655.0000 -218.79227 -211.85829 6.93398 2.28279 -211.82919 579.24527
4660.0000 -218.51033 -210.82908 7.68126 2.31750 -211.14781 609.78549
4665.0000 -218.40277 -211.58725 6.81551 2.30939 -211.30708 634.10785
4670.0000 -218.27795 -212.11534 6.16262 2.30673 -211.35928 595.89097
4675.0000 -219.79687 -213.17185 6.62501 2.25263 -212.42152 578.74461
4680.0000 -219.43101 -213.32949 6.10152 2.21815 -213.09843 575.18134
4685.0000 -218.98185 -211.15947 7.82238 2.25171 -212.43948 606.01656
4690.0000 -218.78752 -211.92738 6.86014 2.29969 -211.49744 623.39923
4695.0000 -217.95834 -211.46598 6.49235 2.31017 -211.29168 618.35975
4700.0000 -218.11764 -210.90347 7.21418 2.30171 -211.45785 613.55546
4705.0000 -218.63457 -212.03628 6.59828 2.32050 -211.08890 623.38817
4710.0000 -218.34933 -212.45857 5.89077 2.24342 -212.60233 549.50407
4715.0000 -217.30696 -210.18290 7.12406 2.29463 -211.59688 593.74528
4720.0000 -218.17988 -210.93162 7.24826 2.35697 -210.37288 651.42392
4725.0000 -218.31128 -211.55392 6.75736 2.30058 -211.47993 597.47310
4730.0000 -218.06413 -211.56779 6.49634 2.28424 -211.80082 570.74731
4735.0000 -218.10115 -211.34482 6.75632 2.29888 -211.51343 612.89367
4740.0000 -218.09161 -210.66185 7.42977 2.29944 -211.50239 622.09632
4745.0000 -218.32561 -211.17233 7.15328 2.31331 -211.23008 600.36719
4750.0000 -219.09074 -212.43358 6.65716 2.27590 -211.96464 612.54900
FREEZING PROCESS: loop number 20 T-loop= 589.00000000000000
main_MD> interactions number 20 at Temperature= 589.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.45013 2.25359 -0.98570
force_rgl> df(natom) -2.39112 1.30653 -1.93469
4755.0000 -221.08858 -214.84085 6.24774 2.21737 -213.11373 599.21509
4760.0000 -220.28320 -214.25621 6.02700 2.14386 -214.55697 528.93723
4765.0000 -220.29101 -213.99094 6.30007 2.15866 -214.26655 523.87935
4770.0000 -219.31643 -213.05834 6.25809 2.21916 -213.07867 571.95343
4775.0000 -219.16246 -211.75186 7.41060 2.25884 -212.29945 604.19636
4780.0000 -218.02009 -211.79318 6.22691 2.26676 -212.14401 589.38426
4785.0000 -219.29811 -212.46303 6.83508 2.29626 -211.56491 614.13933
4790.0000 -218.06999 -211.09494 6.97505 2.29379 -211.61325 610.82464
4795.0000 -218.78542 -212.54999 6.23542 2.26336 -212.21078 578.63534
4800.0000 -218.54552 -212.07877 6.46674 2.26602 -212.15857 576.49769
4805.0000 -219.51023 -212.82020 6.69003 2.26426 -212.19310 576.61391
4810.0000 -218.43747 -212.13024 6.30723 2.23814 -212.70586 544.87663
4815.0000 -218.12428 -211.65146 6.47282 2.27729 -211.93728 594.80794
4820.0000 -218.42141 -212.49932 5.92210 2.28614 -211.76343 584.97963
4825.0000 -218.77850 -211.34268 7.43582 2.26860 -212.10794 588.96739
4830.0000 -217.34571 -211.06841 6.27729 2.28633 -211.75982 595.07809
4835.0000 -218.42219 -212.39794 6.02425 2.25506 -212.37365 564.40198
4840.0000 -218.06281 -211.67067 6.39214 2.25439 -212.38689 553.89652
4845.0000 -218.96303 -211.65168 7.31135 2.27368 -212.00818 582.20618
4850.0000 -218.50020 -211.45381 7.04638 2.30508 -211.39155 597.71688
4855.0000 -217.93839 -211.60197 6.33642 2.31045 -211.28611 607.34325
4860.0000 -220.01471 -213.12287 6.89185 2.22806 -212.90378 562.82807
4865.0000 -218.78636 -212.43980 6.34655 2.25864 -212.30338 585.22009
4870.0000 -218.54859 -212.18140 6.36719 2.26040 -212.26896 589.24017
4875.0000 -219.41334 -211.85007 7.56327 2.27933 -211.89725 608.88749
4880.0000 -218.98497 -213.14253 5.84244 2.27105 -212.05986 598.61798
4885.0000 -219.06532 -211.83483 7.23048 2.24818 -212.50877 561.70537
4890.0000 -217.96355 -210.63795 7.32560 2.32087 -211.08162 633.26000
4895.0000 -216.36903 -210.06014 6.30889 2.36135 -210.28676 630.29034
4900.0000 -217.47099 -210.37064 7.10035 2.36089 -210.29581 637.65297
4905.0000 -217.55377 -210.88149 6.67229 2.36252 -210.26389 622.12984
4910.0000 -217.80019 -210.96734 6.83285 2.33974 -210.71117 616.01570
4915.0000 -218.48498 -212.16808 6.31690 2.31715 -211.15457 599.42198
4920.0000 -218.69037 -212.12239 6.56798 2.24582 -212.55519 564.12323
4925.0000 -219.00803 -211.49756 7.51047 2.26772 -212.12508 577.61827
4930.0000 -217.50599 -211.07325 6.43274 2.29073 -211.67336 584.31124
4935.0000 -219.39446 -213.27221 6.12225 2.27344 -212.01293 582.41667
4940.0000 -218.66065 -212.88118 5.77946 2.23069 -212.85227 550.24738
4945.0000 -217.54199 -211.49776 6.04423 2.25852 -212.30571 581.59047
4950.0000 -218.80180 -212.21958 6.58222 2.26792 -212.12116 564.04974
4955.0000 -218.14215 -211.73097 6.41118 2.28566 -211.77298 554.68752
4960.0000 -217.22162 -210.70136 6.52026 2.32609 -210.97920 620.75432
4965.0000 -219.71188 -212.15996 7.55192 2.30071 -211.47735 601.82235
4970.0000 -218.06048 -211.57728 6.48320 2.28226 -211.83974 597.31962
4975.0000 -218.17389 -210.64779 7.52610 2.33189 -210.86517 620.56252
4980.0000 -217.85311 -211.05756 6.79555 2.30376 -211.41756 589.23686
4985.0000 -218.27988 -211.78076 6.49912 2.33291 -210.84523 640.22811
4990.0000 -218.71534 -212.53099 6.18435 2.26899 -212.10016 576.63175
4995.0000 -218.63878 -212.33104 6.30774 2.27373 -212.00721 577.08214
5000.0000 -218.66438 -212.52231 6.14207 2.27052 -212.07011 583.36996
FREEZING PROCESS: loop number 21 T-loop= 564.00000000000000
main_MD> interactions number 21 at Temperature= 564.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25851 -2.63148 0.10493
force_rgl> df(natom) -3.22641 -2.16728 -0.13661
5005.0000 -218.69067 -212.29806 6.39261 2.26459 -212.18664 550.16621
5010.0000 -220.15986 -213.81636 6.34350 2.20741 -213.30936 531.23039
5015.0000 -219.36477 -212.96947 6.39530 2.20516 -213.35348 544.26392
5020.0000 -217.92635 -212.33407 5.59228 2.22670 -212.93057 542.92671
5025.0000 -219.89509 -213.90031 5.99478 2.20286 -213.39855 531.59859
5030.0000 -220.14415 -213.79805 6.34610 2.17568 -213.93220 534.81874
5035.0000 -219.74004 -212.92798 6.81206 2.20156 -213.42421 549.28284
5040.0000 -218.90747 -212.48627 6.42120 2.27317 -212.01824 586.32973
5045.0000 -219.85002 -213.15228 6.69774 2.23708 -212.72669 567.00909
5050.0000 -219.94404 -213.09010 6.85394 2.23866 -212.69569 558.58825
5055.0000 -219.03953 -212.98672 6.05281 2.22773 -212.91035 567.58580
5060.0000 -218.73728 -211.46897 7.26831 2.26150 -212.24735 577.41598
5065.0000 -219.02226 -212.20131 6.82095 2.28043 -211.87569 607.92999
5070.0000 -218.83256 -212.71678 6.11577 2.22590 -212.94619 559.57172
5075.0000 -219.91136 -212.72574 7.18563 2.24748 -212.52250 564.68687
5080.0000 -220.44256 -214.81739 5.62518 2.15592 -214.32018 557.36202
5085.0000 -219.92911 -213.47178 6.45733 2.16689 -214.10489 557.02685
5090.0000 -220.36768 -215.64090 4.72678 2.14606 -214.51381 537.43342
5095.0000 -220.22515 -214.65609 5.56906 2.12773 -214.87373 526.01228
5100.0000 -220.81151 -214.07231 6.73920 2.16537 -214.13466 542.45069
5105.0000 -220.20423 -213.11067 7.09356 2.17840 -213.87892 553.56626
5110.0000 -219.97612 -214.51018 5.46593 2.22944 -212.87677 573.73803
5115.0000 -219.31278 -212.71949 6.59329 2.21353 -213.18923 567.42637
5120.0000 -219.65945 -213.66007 5.99939 2.19571 -213.53911 525.55511
5125.0000 -219.37332 -212.69602 6.67730 2.22446 -212.97455 569.90893
5130.0000 -217.59936 -212.32167 5.27769 2.25750 -212.32592 590.75996
5135.0000 -219.01694 -212.06141 6.95553 2.23747 -212.71907 578.40528
5140.0000 -219.35420 -213.70074 5.65346 2.20653 -213.32657 542.30410
5145.0000 -219.17170 -211.75606 7.41564 2.24292 -212.61209 568.68660
5150.0000 -217.79995 -212.13247 5.66748 2.24832 -212.50603 561.47829
5155.0000 -218.54709 -212.16339 6.38369 2.24460 -212.57912 553.16104
5160.0000 -219.19251 -213.26828 5.92424 2.23688 -212.73066 555.82696
5165.0000 -218.97237 -213.43937 5.53300 2.23238 -212.81911 546.38642
5170.0000 -219.93866 -214.41211 5.52656 2.21337 -213.19225 537.76096
5175.0000 -219.60647 -213.71381 5.89266 2.19703 -213.51307 531.29138
5180.0000 -219.55036 -213.25993 6.29044 2.19573 -213.53868 558.77361
5185.0000 -219.48198 -213.32969 6.15229 2.20436 -213.36919 551.64978
5190.0000 -220.02209 -213.90690 6.11519 2.20694 -213.31852 553.18135
5195.0000 -218.33161 -212.81166 5.51995 2.24154 -212.63920 568.84829
5200.0000 -219.94031 -213.63238 6.30793 2.21836 -213.09436 559.10092
5205.0000 -220.92483 -213.68756 7.23727 2.19478 -213.55721 562.10178
5210.0000 -220.33946 -214.28863 6.05083 2.18046 -213.83851 545.45318
5215.0000 -219.36967 -213.65065 5.71901 2.18701 -213.70994 551.74412
5220.0000 -219.66577 -214.24982 5.41595 2.16107 -214.21915 516.03173
5225.0000 -218.95661 -212.40137 6.55524 2.20951 -213.26811 549.55037
5230.0000 -219.49513 -212.94791 6.54722 2.23241 -212.81843 567.56894
5235.0000 -218.06629 -212.16808 5.89821 2.26968 -212.08674 584.59756
5240.0000 -217.01150 -211.19618 5.81532 2.26557 -212.16729 585.97524
5245.0000 -219.11838 -212.04077 7.07761 2.29707 -211.54885 609.28465
5250.0000 -218.80288 -212.94983 5.85305 2.23903 -212.68846 567.01707
FREEZING PROCESS: loop number 22 T-loop= 539.00000000000000
main_MD> interactions number 22 at Temperature= 539.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77909 -0.85123 -2.03901
force_rgl> df(natom) 0.74314 0.94534 0.62966
5255.0000 -220.97041 -215.82231 5.14810 2.13596 -214.71221 518.30854
5260.0000 -221.14912 -214.92610 6.22302 2.10713 -215.27825 501.94088
5265.0000 -221.45776 -216.21903 5.23873 2.10205 -215.37790 490.49974
5270.0000 -219.18057 -213.75746 5.42311 2.14957 -214.44502 533.96135
5275.0000 -219.60488 -213.36825 6.23662 2.19463 -213.56019 562.85743
5280.0000 -219.72639 -213.94989 5.77649 2.22934 -212.87871 577.82843
5285.0000 -220.53443 -214.16708 6.36735 2.16649 -214.11272 541.17918
5290.0000 -220.51487 -213.84987 6.66500 2.16447 -214.15247 538.80087
5295.0000 -220.48339 -214.79745 5.68594 2.17077 -214.02869 556.27167
5300.0000 -221.17784 -214.37124 6.80660 2.11994 -215.02668 538.21612
5305.0000 -220.90974 -214.32834 6.58140 2.16099 -214.22079 577.41991
5310.0000 -220.87353 -214.82285 6.05068 2.14595 -214.51607 546.39350
5315.0000 -221.42209 -215.48863 5.93347 2.08105 -215.79031 510.36767
5320.0000 -220.30622 -214.49188 5.81435 2.09913 -215.43532 510.52395
5325.0000 -219.85094 -213.60393 6.24701 2.13102 -214.80913 517.62402
5330.0000 -219.88368 -213.50898 6.37470 2.20029 -213.44903 594.84435
5335.0000 -220.93306 -214.26267 6.67039 2.16251 -214.19082 568.36418
5340.0000 -220.36757 -213.43061 6.93697 2.14518 -214.53112 566.88533
5345.0000 -221.21250 -214.84704 6.36546 2.15091 -214.41868 557.48382
5350.0000 -220.56890 -214.70292 5.86598 2.11398 -215.14370 547.66243
5355.0000 -220.92281 -215.05666 5.86615 2.11871 -215.05093 541.62938
5360.0000 -220.16984 -213.42043 6.74941 2.16853 -214.07262 569.72565
5365.0000 -220.81743 -214.31763 6.49980 2.18118 -213.82434 569.45895
5370.0000 -220.92144 -214.67850 6.24294 2.16435 -214.15474 554.76286
5375.0000 -220.22590 -213.65385 6.57205 2.14295 -214.57487 547.31359
5380.0000 -220.20432 -214.40541 5.79892 2.18155 -213.81700 572.92862
5385.0000 -219.86272 -213.81858 6.04414 2.18157 -213.81671 561.89072
5390.0000 -220.08638 -214.65635 5.43003 2.16277 -214.18569 535.97598
5395.0000 -219.10119 -212.98384 6.11735 2.17582 -213.92951 541.00437
5400.0000 -220.00322 -213.66050 6.34271 2.22225 -213.01791 567.37116
5405.0000 -219.79040 -213.63098 6.15942 2.21634 -213.13389 567.49274
5410.0000 -219.37146 -212.50523 6.86624 2.20937 -213.27090 551.09135
5415.0000 -220.17392 -214.05045 6.12347 2.20815 -213.29481 540.16774
5420.0000 -219.36481 -213.04843 6.31638 2.18760 -213.69824 543.46244
5425.0000 -219.05009 -213.60530 5.44479 2.20322 -213.39163 545.90075
5430.0000 -218.07955 -210.98781 7.09174 2.24525 -212.56630 572.79352
5435.0000 -219.25133 -212.61577 6.63556 2.29556 -211.57852 606.36232
5440.0000 -220.16980 -213.28322 6.88657 2.22107 -213.04109 569.41864
5445.0000 -219.94543 -213.21720 6.72823 2.21395 -213.18090 578.71431
5450.0000 -219.56560 -213.14537 6.42023 2.20305 -213.39488 575.81158
5455.0000 -220.38722 -213.57046 6.81676 2.22801 -212.90490 593.01999
5460.0000 -220.29356 -213.52909 6.76448 2.21837 -213.09420 584.85118
5465.0000 -219.97565 -213.76862 6.20704 2.18471 -213.75496 550.69342
5470.0000 -220.23588 -214.76857 5.46731 2.13947 -214.64325 514.44654
5475.0000 -220.24090 -215.07570 5.16520 2.11668 -215.09066 486.91031
5480.0000 -220.50187 -215.03861 5.46326 2.10680 -215.28461 477.25787
5485.0000 -220.01433 -214.86393 5.15040 2.11194 -215.18371 476.02402
5490.0000 -218.80684 -213.17340 5.63344 2.17986 -213.85016 515.76409
5495.0000 -217.97979 -211.90220 6.07759 2.26450 -212.18837 587.86423
5500.0000 -220.05485 -213.26420 6.79065 2.22587 -212.94695 553.31190
FREEZING PROCESS: loop number 23 T-loop= 514.00000000000000
main_MD> interactions number 23 at Temperature= 514.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65779 -1.05200 0.65629
force_rgl> df(natom) -0.99147 -1.65577 1.86343
5505.0000 -220.43788 -214.36475 6.07314 2.17947 -213.85787 545.58525
5510.0000 -219.40506 -213.59395 5.81111 2.19205 -213.61085 553.52824
5515.0000 -219.95074 -214.12435 5.82638 2.18859 -213.67889 545.35239
5520.0000 -220.81919 -214.99735 5.82184 2.17154 -214.01360 551.49173
5525.0000 -220.93747 -214.65121 6.28626 2.10734 -215.27401 512.23694
5530.0000 -219.31343 -213.88028 5.43316 2.16186 -214.20373 540.32820
5535.0000 -220.44264 -214.39571 6.04693 2.16100 -214.22046 532.41542
5540.0000 -221.31707 -215.63264 5.68443 2.12683 -214.89133 506.26691
5545.0000 -220.11098 -214.37279 5.73819 2.12996 -214.83000 504.25576
5550.0000 -220.40381 -213.52116 6.88265 2.18518 -213.74580 540.24315
5555.0000 -220.16760 -214.72690 5.44071 2.14686 -214.49814 507.90603
5560.0000 -220.36942 -214.79180 5.57762 2.12300 -214.96670 489.68955
5565.0000 -220.75529 -215.71391 5.04138 2.13000 -214.82910 508.58466
5570.0000 -220.81306 -215.56646 5.24660 2.08636 -215.68600 486.90069
5575.0000 -220.57240 -215.37531 5.19708 2.11018 -215.21839 499.95287
5580.0000 -220.29781 -214.01037 6.28743 2.15240 -214.38944 532.33551
5585.0000 -220.01239 -213.98971 6.02268 2.18556 -213.73834 559.83338
5590.0000 -220.14489 -214.56469 5.58020 2.16339 -214.17357 519.30594
5595.0000 -219.81286 -214.24018 5.57268 2.12892 -214.85048 491.08512
5600.0000 -220.54265 -214.27315 6.26950 2.18432 -213.76275 555.05765
5605.0000 -220.77497 -215.22590 5.54907 2.12115 -215.00297 515.23651
5610.0000 -219.03810 -214.20604 4.83206 2.15346 -214.36859 518.74822
5615.0000 -220.54067 -214.69531 5.84536 2.14619 -214.51126 499.97203
5620.0000 -219.99177 -213.62094 6.37083 2.14561 -214.52278 502.15036
5625.0000 -220.77053 -214.48708 6.28345 2.17434 -213.95868 529.23156
5630.0000 -219.97753 -214.76318 5.21434 2.12762 -214.87594 499.83071
5635.0000 -221.35515 -215.28556 6.06960 2.13423 -214.74606 511.81663
5640.0000 -220.52052 -214.37009 6.15043 2.11837 -215.05757 500.24847
5645.0000 -220.08265 -213.88971 6.19294 2.15883 -214.26307 532.31054
5650.0000 -220.48428 -215.39936 5.08492 2.13159 -214.79792 512.99367
5655.0000 -220.28830 -214.01925 6.26905 2.16347 -214.17202 528.00929
5660.0000 -220.89785 -215.57332 5.32452 2.11476 -215.12837 481.32794
5665.0000 -220.27121 -214.01416 6.25705 2.13416 -214.74760 536.47104
5670.0000 -221.84010 -215.45403 6.38607 2.13743 -214.68340 540.22521
5675.0000 -221.65816 -215.37842 6.27973 2.12450 -214.93723 549.66021
5680.0000 -221.95494 -216.33071 5.62423 2.08955 -215.62348 517.09650
5685.0000 -221.24295 -215.02615 6.21680 2.08440 -215.72454 503.64363
5690.0000 -221.67969 -216.54250 5.13719 2.10167 -215.38533 500.78059
5695.0000 -220.91955 -215.81661 5.10294 2.06484 -216.10846 474.73838
5700.0000 -220.38564 -214.75796 5.62768 2.09046 -215.60552 483.14567
5705.0000 -220.78957 -214.63174 6.15782 2.14298 -214.57443 523.42822
5710.0000 -221.05944 -215.50940 5.55004 2.10992 -215.22342 514.24202
5715.0000 -220.87318 -214.78277 6.09041 2.10735 -215.27383 512.76843
5720.0000 -220.85006 -214.99649 5.85356 2.13114 -214.80686 532.56016
5725.0000 -220.84505 -214.40169 6.44336 2.14044 -214.62423 533.24976
5730.0000 -219.75025 -214.16510 5.58514 2.13635 -214.70456 526.69871
5735.0000 -220.45509 -213.49792 6.95717 2.19590 -213.53536 548.46107
5740.0000 -220.64034 -214.84968 5.79065 2.15665 -214.30597 522.01205
5745.0000 -220.84424 -215.59447 5.24977 2.10539 -215.31247 493.64775
5750.0000 -220.22183 -214.05430 6.16754 2.13346 -214.76117 509.56143
FREEZING PROCESS: loop number 24 T-loop= 489.00000000000000
main_MD> interactions number 24 at Temperature= 489.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.45909 -4.38891 -0.91180
force_rgl> df(natom) 0.07573 -2.07384 -0.11190
5755.0000 -220.55330 -215.06562 5.48767 2.14098 -214.61355 506.02631
5760.0000 -220.67094 -216.23161 4.43933 2.09194 -215.57651 453.71118
5765.0000 -221.12555 -214.70285 6.42270 2.07573 -215.89464 458.69902
5770.0000 -219.81823 -214.40724 5.41099 2.12092 -215.00744 494.94463
5775.0000 -220.79435 -214.59691 6.19744 2.11595 -215.10495 503.90676
5780.0000 -221.40371 -214.81637 6.58734 2.11603 -215.10340 503.91060
5785.0000 -220.98665 -216.30667 4.67999 2.09604 -215.49591 489.17704
5790.0000 -221.20643 -216.41677 4.78966 2.06938 -216.01934 479.17458
5795.0000 -221.14794 -216.83056 4.31737 2.03472 -216.69997 442.14458
5800.0000 -220.85093 -214.74959 6.10134 2.07268 -215.95453 479.80673
5805.0000 -221.36152 -215.59472 5.76680 2.11169 -215.18863 499.99000
5810.0000 -221.24654 -216.06697 5.17957 2.08937 -215.62689 492.82622
5815.0000 -220.74552 -215.19709 5.54842 2.10658 -215.28906 483.60192
5820.0000 -220.89910 -214.71276 6.18635 2.09101 -215.59467 457.92991
5825.0000 -219.75893 -214.24676 5.51217 2.14787 -214.47833 504.80380
5830.0000 -221.09064 -215.57916 5.51149 2.12714 -214.88541 513.37506
5835.0000 -221.30939 -215.21766 6.09173 2.08602 -215.69278 490.23983
5840.0000 -220.55569 -214.79433 5.76136 2.13035 -214.82227 508.65105
5845.0000 -219.78208 -214.19590 5.58617 2.16286 -214.18404 547.57907
5850.0000 -220.95036 -214.66012 6.29024 2.13955 -214.64162 535.31792
5855.0000 -220.86032 -214.85304 6.00727 2.14709 -214.49366 537.58025
5860.0000 -221.73672 -215.84206 5.89466 2.08366 -215.73900 501.49143
5865.0000 -221.44676 -215.07150 6.37526 2.10616 -215.29734 511.12498
5870.0000 -219.21409 -213.39832 5.81577 2.14682 -214.49890 528.06794
5875.0000 -221.18154 -214.94903 6.23251 2.13543 -214.72267 535.74726
5880.0000 -221.06032 -215.83749 5.22282 2.10803 -215.26054 505.38984
5885.0000 -220.49153 -215.08588 5.40565 2.10175 -215.38386 500.88686
5890.0000 -220.75997 -214.97185 5.78812 2.12558 -214.91603 528.17914
5895.0000 -220.21686 -214.09994 6.11692 2.15298 -214.37805 523.62711
5900.0000 -220.17346 -214.56389 5.60957 2.16212 -214.19846 517.08800
5905.0000 -219.25122 -212.75752 6.49370 2.18231 -213.80206 517.34929
5910.0000 -219.48853 -213.90271 5.58581 2.23397 -212.78781 575.73327
5915.0000 -219.47560 -214.37455 5.10105 2.16425 -214.15663 547.01977
5920.0000 -220.19263 -214.64059 5.55204 2.12380 -214.95093 495.23876
5925.0000 -220.06609 -213.78912 6.27697 2.16647 -214.11313 516.74819
5930.0000 -220.35209 -213.99445 6.35764 2.20106 -213.43401 556.45125
5935.0000 -219.21898 -213.81835 5.40063 2.20085 -213.43808 552.00166
5940.0000 -220.36273 -215.73084 4.63189 2.11463 -215.13100 483.91674
5945.0000 -221.82676 -216.18056 5.64620 2.09123 -215.59035 487.16630
5950.0000 -221.40668 -215.33275 6.07394 2.10844 -215.25247 508.73315
5955.0000 -219.98577 -215.49261 4.49316 2.10158 -215.38727 519.99564
5960.0000 -222.65511 -217.44981 5.20530 2.04786 -216.44186 474.90995
5965.0000 -222.68181 -216.40645 6.27536 2.02459 -216.89890 460.58163
5970.0000 -222.24908 -216.88240 5.36668 2.03145 -216.76423 462.84142
5975.0000 -221.72278 -215.89262 5.83016 2.05063 -216.38751 476.02456
5980.0000 -221.97167 -216.82736 5.14431 2.04795 -216.44023 478.14190
5985.0000 -221.74403 -216.85258 4.89145 2.02101 -216.96919 456.15024
5990.0000 -221.45196 -216.25679 5.19517 2.03079 -216.77705 465.35358
5995.0000 -220.92557 -215.87927 5.04630 2.06021 -216.19938 476.05611
6000.0000 -221.35243 -215.59077 5.76165 2.08187 -215.77424 502.75521
FREEZING PROCESS: loop number 25 T-loop= 464.00000000000000
main_MD> interactions number 25 at Temperature= 464.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.06386 1.12189 -0.15340
force_rgl> df(natom) -2.03091 0.69703 0.81287
6005.0000 -222.38422 -217.38578 4.99844 2.05239 -216.35291 476.64172
6010.0000 -221.74625 -216.29199 5.45426 2.01859 -217.01665 457.24280
6015.0000 -222.65594 -216.79022 5.86572 2.06153 -216.17355 493.52857
6020.0000 -222.68917 -216.97732 5.71185 2.02272 -216.93548 459.76860
6025.0000 -222.35212 -216.69984 5.65229 2.04629 -216.47271 485.05774
6030.0000 -221.82749 -216.72806 5.09944 2.01284 -217.12959 456.72122
6035.0000 -221.72677 -216.54544 5.18133 2.05715 -216.25957 479.96410
6040.0000 -222.43486 -217.05744 5.37742 2.00517 -217.28009 435.96351
6045.0000 -222.56039 -216.80048 5.75992 2.02029 -216.98322 445.89828
6050.0000 -222.31536 -217.31927 4.99609 2.01118 -217.16214 453.65996
6055.0000 -222.29007 -217.34130 4.94876 2.00853 -217.21407 438.36359
6060.0000 -222.37755 -217.17498 5.20257 2.00811 -217.22249 455.16490
6065.0000 -222.09273 -217.46277 4.62996 1.98843 -217.60888 442.12477
6070.0000 -223.04378 -217.51017 5.53361 1.97359 -217.90020 429.33889
6075.0000 -221.73762 -216.95990 4.77772 2.00820 -217.22068 451.36207
6080.0000 -221.87597 -217.43453 4.44145 2.01606 -217.06627 456.24201
6085.0000 -222.77540 -217.11508 5.66032 2.01162 -217.15351 450.60110
6090.0000 -223.10829 -217.82008 5.28820 2.03104 -216.77216 483.01843
6095.0000 -222.24213 -217.49513 4.74700 2.00278 -217.32698 460.66771
6100.0000 -222.81333 -217.64408 5.16925 2.00293 -217.32402 466.46504
6105.0000 -222.80979 -217.04248 5.76731 2.00963 -217.19257 464.90999
6110.0000 -222.15243 -216.36095 5.79148 2.05192 -216.36231 492.32805
6115.0000 -222.13011 -217.72754 4.40257 2.01363 -217.11395 458.73789
6120.0000 -222.98067 -217.90927 5.07141 1.96236 -218.12059 429.57949
6125.0000 -222.47685 -217.40062 5.07623 1.99468 -217.48615 453.23865
6130.0000 -222.58834 -216.93019 5.65815 2.03526 -216.68927 481.73314
6135.0000 -222.46419 -217.04032 5.42387 2.02272 -216.93563 476.43849
6140.0000 -222.54875 -217.25584 5.29291 2.01595 -217.06845 469.58571
6145.0000 -221.35939 -216.48715 4.87224 2.01771 -217.03398 470.00961
6150.0000 -221.77481 -217.36334 4.41147 2.04836 -216.43214 476.56870
6155.0000 -221.64554 -216.15994 5.48559 2.03520 -216.69043 475.09488
6160.0000 -222.24534 -216.72913 5.51621 2.07233 -215.96140 516.86723
6165.0000 -222.30810 -217.16760 5.14049 2.01318 -217.12293 471.39242
6170.0000 -222.27894 -217.39708 4.88187 2.00572 -217.26930 466.54344
6175.0000 -222.48899 -217.39794 5.09105 1.99792 -217.42243 462.43522
6180.0000 -222.57439 -217.34912 5.22527 1.97264 -217.91879 440.83546
6185.0000 -223.05875 -218.46715 4.59160 1.96040 -218.15924 433.00412
6190.0000 -222.57762 -217.63136 4.94626 1.97005 -217.96963 439.08197
6195.0000 -222.42989 -217.26411 5.16578 2.00280 -217.32668 458.69883
6200.0000 -222.26254 -216.74611 5.51644 2.02167 -216.95614 471.15522
6205.0000 -223.03022 -217.32158 5.70864 2.02413 -216.90794 481.50241
6210.0000 -222.04969 -217.16614 4.88355 2.00526 -217.27842 465.34639
6215.0000 -222.86286 -217.43210 5.43076 2.01818 -217.02475 484.34571
6220.0000 -222.93943 -217.28103 5.65840 1.99267 -217.52561 460.73341
6225.0000 -222.75785 -216.38777 6.37008 2.02039 -216.98135 475.49429
6230.0000 -221.93712 -216.14067 5.79645 2.06926 -216.02179 512.82180
6235.0000 -221.39036 -215.74618 5.64418 2.07275 -215.95330 509.03922
6240.0000 -221.45890 -216.38550 5.07340 2.08284 -215.75512 508.93196
6245.0000 -222.38840 -217.07076 5.31764 2.02557 -216.87963 462.22574
6250.0000 -222.25930 -216.88426 5.37505 2.00346 -217.31372 444.17653
FREEZING PROCESS: loop number 26 T-loop= 439.00000000000000
main_MD> interactions number 26 at Temperature= 439.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12842 3.92708 -4.72160
force_rgl> df(natom) 1.78858 1.97420 0.12502
6255.0000 -221.73203 -216.47013 5.26190 2.04435 -216.51088 463.59115
6260.0000 -221.91011 -216.69841 5.21170 2.03317 -216.73034 457.62023
6265.0000 -222.32107 -216.59599 5.72508 2.04519 -216.49428 469.27021
6270.0000 -221.07083 -216.65458 4.41625 2.02791 -216.83361 466.60588
6275.0000 -221.51498 -216.05897 5.45600 2.03749 -216.64554 457.79772
6280.0000 -222.10689 -217.17076 4.93613 2.06386 -216.12787 481.42646
6285.0000 -221.84549 -216.31745 5.52804 2.05640 -216.27425 475.03902
6290.0000 -221.63112 -215.73599 5.89513 2.06703 -216.06563 490.68559
6295.0000 -220.81172 -215.69933 5.11239 2.07007 -216.00595 486.37581
6300.0000 -222.03558 -216.81108 5.22451 2.05560 -216.28999 472.36242
6305.0000 -222.52211 -217.50609 5.01602 2.00132 -217.35581 437.08225
6310.0000 -221.64112 -215.57002 6.07109 2.03329 -216.72804 436.22324
6315.0000 -220.86586 -215.28404 5.58182 2.07073 -215.99299 474.86439
6320.0000 -221.59275 -216.58485 5.00790 2.05923 -216.21865 460.98067
6325.0000 -220.82082 -216.14820 4.67262 2.05011 -216.39771 454.80355
6330.0000 -220.94303 -216.23455 4.70848 2.06266 -216.15131 442.27192
6335.0000 -221.69389 -217.03425 4.65964 2.05076 -216.38491 434.28704
6340.0000 -221.12734 -215.87655 5.25079 2.05119 -216.37663 448.10329
6345.0000 -222.33170 -217.50156 4.83014 2.02229 -216.94396 432.97341
6350.0000 -221.71567 -216.52382 5.19185 2.02200 -216.94976 435.54758
6355.0000 -221.55045 -216.36425 5.18620 2.05474 -216.30681 460.52023
6360.0000 -222.16298 -217.30146 4.86152 2.02959 -216.80065 435.85644
6365.0000 -222.04532 -217.64530 4.40001 2.01281 -217.13002 431.22433
6370.0000 -222.11086 -217.29011 4.82075 2.00036 -217.37448 423.11010
6375.0000 -221.83193 -216.90889 4.92304 2.01134 -217.15891 430.02840
6380.0000 -221.68139 -217.16407 4.51732 2.00966 -217.19191 428.08580
6385.0000 -220.59445 -214.91641 5.67803 2.07884 -215.83358 476.48149
6390.0000 -221.74802 -216.60940 5.13862 2.07573 -215.89465 481.49103
6395.0000 -221.61385 -216.56747 5.04638 2.04966 -216.40666 459.07440
6400.0000 -220.67744 -215.71540 4.96204 2.04747 -216.44962 455.63112
6405.0000 -221.43017 -216.31540 5.11477 2.06650 -216.07589 471.61963
6410.0000 -222.90433 -218.10727 4.79706 2.02877 -216.81682 442.05595
6415.0000 -221.77929 -217.06944 4.70984 2.00351 -217.31268 427.62732
6420.0000 -221.49469 -216.63485 4.85984 2.03031 -216.78659 439.78480
6425.0000 -221.30668 -216.36516 4.94152 2.03125 -216.76802 439.41127
6430.0000 -221.27556 -216.68745 4.58811 2.07062 -215.99505 448.49340
6435.0000 -221.21093 -216.65852 4.55241 2.04203 -216.55642 429.47405
6440.0000 -221.44530 -216.76764 4.67766 2.04008 -216.59464 431.67459
6445.0000 -221.13933 -216.16671 4.97262 2.04456 -216.50678 425.19858
6450.0000 -221.03405 -216.72089 4.31316 2.03035 -216.78569 412.76001
6455.0000 -220.46545 -215.19069 5.27477 2.09640 -215.48898 470.88428
6460.0000 -220.77519 -215.79508 4.98011 2.11500 -215.12375 473.82866
6465.0000 -220.23916 -215.94672 4.29244 2.09221 -215.57117 447.67192
6470.0000 -221.46282 -216.13019 5.33263 2.06929 -216.02113 454.00490
6475.0000 -221.94835 -216.89123 5.05712 2.04835 -216.43231 430.85155
6480.0000 -221.52252 -217.08068 4.44185 2.01283 -217.12977 408.63210
6485.0000 -221.80108 -216.67422 5.12686 2.04664 -216.46586 440.98525
6490.0000 -222.20768 -217.40873 4.79895 2.00861 -217.21252 407.07921
6495.0000 -221.38183 -217.68337 3.69846 2.00912 -217.20264 405.17635
6500.0000 -220.86572 -215.66182 5.20390 2.04057 -216.58501 423.12131
FREEZING PROCESS: loop number 27 T-loop= 414.00000000000000
main_MD> interactions number 27 at Temperature= 414.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67535 2.51801 2.19258
force_rgl> df(natom) -0.36944 -0.27738 -1.74206
6505.0000 -221.17331 -216.77795 4.39536 2.06019 -216.19986 439.61742
6510.0000 -221.49275 -216.47849 5.01426 2.01585 -217.07052 411.22050
6515.0000 -221.67145 -216.09217 5.57928 2.02343 -216.92168 432.34725
6520.0000 -222.16245 -217.15992 5.00253 2.06174 -216.16944 471.50005
6525.0000 -221.65370 -216.91192 4.74177 2.01347 -217.11708 452.29120
6530.0000 -221.93915 -217.73327 4.20588 1.99176 -217.54345 421.64494
6535.0000 -223.16536 -217.72012 5.44523 1.97364 -217.89922 412.44193
6540.0000 -223.30531 -218.65068 4.65463 1.97042 -217.96246 408.50536
6545.0000 -222.02847 -217.39872 4.62976 1.96031 -218.16094 400.19938
6550.0000 -222.89634 -218.18923 4.70710 1.98738 -217.62938 427.96907
6555.0000 -222.94118 -218.51278 4.42840 1.95955 -218.17585 414.65258
6560.0000 -223.11417 -217.58838 5.52578 1.97364 -217.89921 422.74183
6565.0000 -222.41021 -217.84638 4.56383 1.97700 -217.83329 423.37054
6570.0000 -222.65535 -217.22252 5.43283 1.98691 -217.63856 426.58438
6575.0000 -221.62684 -216.54319 5.08365 2.03201 -216.75306 456.33503
6580.0000 -222.10329 -217.58466 4.51863 2.00201 -217.34208 433.72280
6585.0000 -223.22314 -218.83236 4.39078 1.95540 -218.25723 402.76987
6590.0000 -222.73183 -218.57747 4.15437 1.91661 -219.01900 371.09576
6595.0000 -222.23317 -218.00675 4.22642 1.94532 -218.45525 392.63293
6600.0000 -222.87800 -218.16366 4.71434 1.96940 -217.98241 421.64348
6605.0000 -223.22535 -218.70053 4.52482 1.96417 -218.08514 417.45953
6610.0000 -222.81990 -218.32366 4.49624 1.95853 -218.19596 410.37770
6615.0000 -222.36203 -219.01674 3.34529 1.93354 -218.68659 388.25988
6620.0000 -223.10211 -218.97328 4.12883 1.93198 -218.71713 395.78573
6625.0000 -223.07935 -219.21576 3.86359 1.90710 -219.20572 379.75363
6630.0000 -223.43727 -218.68853 4.74875 1.91510 -219.04865 386.78135
6635.0000 -222.87774 -218.06778 4.80996 1.93836 -218.59195 399.92972
6640.0000 -221.94698 -217.56808 4.37890 1.96770 -218.01578 427.04917
6645.0000 -222.89719 -218.53315 4.36404 1.98274 -217.72046 439.26185
6650.0000 -222.88323 -217.66009 5.22314 1.98515 -217.67329 436.73097
6655.0000 -222.97560 -218.54895 4.42665 1.94768 -218.40883 408.17231
6660.0000 -222.21827 -217.24518 4.97309 1.94963 -218.37052 410.69226
6665.0000 -222.62676 -218.00606 4.62070 1.97966 -217.78100 425.47856
6670.0000 -223.63931 -219.35422 4.28510 1.92700 -218.81497 389.67288
6675.0000 -223.08348 -219.03811 4.04537 1.91500 -219.05045 392.26740
6680.0000 -223.26218 -218.83425 4.42794 1.93043 -218.74765 400.86030
6685.0000 -223.51100 -218.54748 4.96352 1.94617 -218.43860 412.12498
6690.0000 -222.59011 -217.41979 5.17032 1.97371 -217.89783 429.78705
6695.0000 -222.72579 -218.45988 4.26591 1.97170 -217.93730 427.37152
6700.0000 -223.73809 -219.35622 4.38187 1.93161 -218.72437 391.62901
6705.0000 -223.21375 -218.67020 4.54355 1.93696 -218.61939 408.28071
6710.0000 -223.12546 -218.59147 4.53398 1.97380 -217.89604 435.45779
6715.0000 -223.02195 -218.60501 4.41694 1.95290 -218.30647 418.05517
6720.0000 -223.12490 -219.01524 4.10966 1.93579 -218.64237 403.90909
6725.0000 -223.82475 -219.25404 4.57071 1.90353 -219.27570 379.06096
6730.0000 -223.26932 -218.32157 4.94775 1.93117 -218.73310 399.97812
6735.0000 -222.83804 -218.28856 4.54948 1.95087 -218.34624 410.10873
6740.0000 -222.80032 -217.52335 5.27697 1.96697 -218.03005 422.42718
6745.0000 -222.41192 -217.85971 4.55220 1.97440 -217.88420 431.20897
6750.0000 -222.91029 -218.22953 4.68076 1.96940 -217.98235 423.53644
FREEZING PROCESS: loop number 28 T-loop= 389.00000000000000
main_MD> interactions number 28 at Temperature= 389.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.43089 0.50219 1.85799
force_rgl> df(natom) -5.02084 -2.51851 0.86350
6755.0000 -223.08099 -218.42324 4.65775 1.96685 -218.03254 428.24202
6760.0000 -224.41407 -219.93812 4.47595 1.92680 -218.81884 401.85606
6765.0000 -223.60465 -219.62958 3.97507 1.89650 -219.41368 388.77651
6770.0000 -223.49395 -219.53093 3.96303 1.88990 -219.54327 389.01992
6775.0000 -223.41812 -219.55007 3.86805 1.91047 -219.13958 404.75114
6780.0000 -223.31277 -218.91954 4.39322 1.90024 -219.34042 393.92199
6785.0000 -224.11758 -219.31681 4.80077 1.90781 -219.19169 398.42233
6790.0000 -223.64319 -218.89532 4.74787 1.89361 -219.47060 389.95580
6795.0000 -223.15509 -218.34048 4.81461 1.95297 -218.30504 429.37247
6800.0000 -223.95076 -219.43470 4.51606 1.92095 -218.93375 413.22111
6805.0000 -223.87141 -219.80301 4.06840 1.88177 -219.70308 385.45527
6810.0000 -223.70565 -219.27780 4.42785 1.89466 -219.44981 391.21440
6815.0000 -223.92323 -219.71950 4.20373 1.89505 -219.44234 395.17428
6820.0000 -223.82507 -219.17448 4.65059 1.89504 -219.44245 381.66582
6825.0000 -224.30364 -220.06270 4.24094 1.89012 -219.53909 385.48336
6830.0000 -224.37862 -219.42249 4.95613 1.87922 -219.75301 379.03061
6835.0000 -223.82193 -219.57972 4.24222 1.90050 -219.33515 394.18269
6840.0000 -224.51872 -220.05897 4.45975 1.87877 -219.76197 379.13745
6845.0000 -224.25930 -219.58285 4.67645 1.88205 -219.69755 379.70674
6850.0000 -224.18259 -218.94911 5.23348 1.90474 -219.25189 402.81041
6855.0000 -224.10602 -219.67216 4.43386 1.91405 -219.06916 408.72498
6860.0000 -223.34590 -219.32525 4.02065 1.90597 -219.22778 400.86510
6865.0000 -223.35239 -218.57252 4.77987 1.88773 -219.58601 385.41470
6870.0000 -223.95920 -219.95764 4.00156 1.90559 -219.23525 393.99664
6875.0000 -224.15127 -220.28629 3.86498 1.87113 -219.91190 365.35126
6880.0000 -223.84744 -219.70179 4.14564 1.88584 -219.62298 374.37722
6885.0000 -223.42597 -219.82476 3.60122 1.89477 -219.44775 376.24973
6890.0000 -223.87205 -219.70488 4.16717 1.87265 -219.88203 366.81882
6895.0000 -223.35935 -218.33175 5.02760 1.93162 -218.72428 413.98492
6900.0000 -223.44139 -219.18114 4.26025 1.93139 -218.72866 411.69490
6905.0000 -222.73788 -218.78879 3.94909 1.91578 -219.03515 389.64910
6910.0000 -223.16945 -219.19904 3.97041 1.91212 -219.10710 390.74377
6915.0000 -223.73545 -219.81043 3.92502 1.88324 -219.67412 380.02657
6920.0000 -223.30839 -219.17387 4.13452 1.89789 -219.38642 386.98512
6925.0000 -224.40650 -219.88100 4.52550 1.88317 -219.67545 373.94519
6930.0000 -223.86852 -219.35736 4.51115 1.90390 -219.26846 396.09216
6935.0000 -224.06320 -219.23618 4.82702 1.91163 -219.11669 399.76119
6940.0000 -223.85566 -219.89779 3.95787 1.89131 -219.51558 390.38398
6945.0000 -223.63586 -218.77501 4.86084 1.91839 -218.98395 411.09822
6950.0000 -223.47563 -219.27963 4.19601 1.88451 -219.64926 384.55298
6955.0000 -223.83004 -219.58426 4.24578 1.87500 -219.83598 376.84928
6960.0000 -223.51092 -219.21046 4.30046 1.90121 -219.32121 392.50008
6965.0000 -224.36876 -220.25770 4.11105 1.86964 -219.94116 369.10411
6970.0000 -223.90249 -220.12047 3.78202 1.85325 -220.26304 353.35368
6975.0000 -223.39713 -218.92432 4.47281 1.88720 -219.59645 379.70050
6980.0000 -223.83909 -219.55666 4.28243 1.90971 -219.15439 406.84696
6985.0000 -224.27485 -220.08177 4.19308 1.87409 -219.85383 376.58894
6990.0000 -224.37945 -220.17064 4.20881 1.86875 -219.95871 373.29003
6995.0000 -224.69806 -221.01377 3.68429 1.83763 -220.56965 346.27571
7000.0000 -224.69773 -220.92737 3.77036 1.80242 -221.26087 320.11605
FREEZING PROCESS: loop number 29 T-loop= 364.00000000000000
main_MD> interactions number 29 at Temperature= 364.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00310 0.36313 -0.91227
force_rgl> df(natom) -1.84184 1.72564 -0.05279
7005.0000 -224.48996 -220.71072 3.77924 1.81156 -221.08157 330.19284
7010.0000 -224.33871 -219.74153 4.59719 1.86389 -220.05413 367.50906
7015.0000 -224.14220 -219.59008 4.55212 1.90549 -219.23721 402.43172
7020.0000 -224.08742 -219.75051 4.33691 1.88211 -219.69639 379.12363
7025.0000 -224.44624 -220.19657 4.24967 1.88067 -219.72454 376.83113
7030.0000 -224.50027 -220.75313 3.74713 1.83507 -220.61994 344.38333
7035.0000 -223.93370 -219.58717 4.34653 1.84464 -220.43202 350.27737
7040.0000 -224.39005 -220.18938 4.20068 1.86891 -219.95545 373.82613
7045.0000 -224.51860 -220.18977 4.32883 1.85278 -220.27224 361.84865
7050.0000 -224.45261 -220.88479 3.56782 1.84682 -220.38929 355.98353
7055.0000 -224.96753 -220.80263 4.16490 1.82462 -220.82506 334.95962
7060.0000 -224.21791 -219.93677 4.28114 1.84952 -220.33613 355.90955
7065.0000 -224.04254 -219.17763 4.86491 1.86495 -220.03331 368.65417
7070.0000 -224.53503 -220.31209 4.22294 1.86709 -219.99125 370.67791
7075.0000 -223.84123 -219.48574 4.35549 1.85226 -220.28248 357.33744
7080.0000 -224.95601 -220.91984 4.03618 1.85904 -220.14923 362.91947
7085.0000 -224.74038 -220.80365 3.93673 1.82248 -220.86700 334.88778
7090.0000 -224.01475 -219.53520 4.47956 1.87482 -219.83938 371.77528
7095.0000 -224.03889 -219.90025 4.13864 1.86875 -219.95867 371.80480
7100.0000 -223.56855 -219.14834 4.42020 1.88488 -219.64199 382.59090
7105.0000 -224.70657 -220.36290 4.34367 1.87400 -219.85558 373.30138
7110.0000 -224.27171 -220.75289 3.51882 1.85093 -220.30844 359.50272
7115.0000 -224.62351 -220.14169 4.48182 1.84745 -220.37687 356.53686
7120.0000 -224.65144 -221.46687 3.18457 1.84304 -220.46351 350.87340
7125.0000 -224.45725 -220.64231 3.81494 1.81401 -221.03346 327.91345
7130.0000 -223.84231 -220.04951 3.79280 1.84342 -220.45599 351.64691
7135.0000 -224.22623 -219.64296 4.58327 1.86597 -220.01325 370.62156
7140.0000 -223.59662 -219.82043 3.77619 1.87185 -219.89777 379.50987
7145.0000 -224.15994 -220.43238 3.72757 1.86417 -220.04860 361.06872
7150.0000 -223.86458 -220.10003 3.76454 1.85313 -220.26535 349.05607
7155.0000 -223.81142 -219.68217 4.12926 1.86167 -220.09761 354.87131
7160.0000 -224.10111 -219.87680 4.22431 1.87786 -219.77984 368.20255
7165.0000 -223.34553 -219.01145 4.33407 1.90892 -219.17001 395.67032
7170.0000 -224.08258 -219.92599 4.15659 1.88699 -219.60040 388.88520
7175.0000 -224.26363 -220.18211 4.08152 1.86353 -220.06118 362.72344
7180.0000 -224.19295 -220.18086 4.01209 1.84568 -220.41153 356.38502
7185.0000 -224.16281 -220.59587 3.56694 1.83206 -220.67906 342.21684
7190.0000 -224.16231 -220.04979 4.11253 1.84889 -220.34856 356.18889
7195.0000 -223.85509 -219.73241 4.12268 1.85096 -220.30785 356.67960
7200.0000 -223.89007 -219.53513 4.35494 1.88141 -219.71013 379.29925
7205.0000 -224.45906 -220.50568 3.95338 1.87474 -219.84104 374.52513
7210.0000 -224.79105 -221.37001 3.42104 1.80435 -221.22302 318.82036
7215.0000 -224.59259 -221.17137 3.42122 1.80466 -221.21690 320.77314
7220.0000 -224.16949 -220.06620 4.10329 1.83008 -220.71782 340.24890
7225.0000 -224.99560 -220.76902 4.22658 1.84319 -220.46048 352.20207
7230.0000 -225.07576 -220.83953 4.23623 1.82670 -220.78428 338.67022
7235.0000 -224.29096 -219.91793 4.37303 1.84027 -220.51785 350.22624
7240.0000 -224.47355 -220.17701 4.29653 1.87519 -219.83211 379.56766
7245.0000 -223.48598 -219.46803 4.01795 1.86790 -219.97537 369.03910
7250.0000 -223.88412 -220.48487 3.39925 1.83907 -220.54130 350.31147
FREEZING PROCESS: loop number 30 T-loop= 339.00000000000000
main_MD> interactions number 30 at Temperature= 339.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08326 1.22157 2.25443
force_rgl> df(natom) 0.40206 0.15712 1.56478
7255.0000 -224.60896 -220.32252 4.28644 1.86282 -220.07514 361.64875
7260.0000 -223.81543 -220.19619 3.61924 1.86529 -220.02649 361.78681
7265.0000 -224.45877 -219.87049 4.58828 1.88000 -219.73779 374.85388
7270.0000 -224.22504 -219.98003 4.24501 1.85991 -220.13219 363.72907
7275.0000 -224.15631 -219.56140 4.59490 1.86280 -220.07542 364.99897
7280.0000 -224.63718 -220.43862 4.19856 1.87961 -219.74542 372.05794
7285.0000 -224.38848 -220.65999 3.72849 1.82982 -220.72300 338.23676
7290.0000 -224.53748 -220.48701 4.05048 1.84419 -220.44089 353.32111
7295.0000 -223.86848 -219.99119 3.87729 1.85685 -220.19226 357.25592
7300.0000 -224.77120 -221.28394 3.48727 1.81396 -221.03442 322.19627
7305.0000 -224.24307 -220.44636 3.79671 1.82746 -220.76938 329.76804
7310.0000 -224.31050 -220.09553 4.21497 1.84375 -220.44944 349.78972
7315.0000 -225.02564 -221.12642 3.89922 1.82649 -220.78839 338.37017
7320.0000 -224.50659 -220.16051 4.34608 1.84558 -220.41362 352.90184
7325.0000 -224.40915 -220.57435 3.83480 1.84095 -220.50444 351.98865
7330.0000 -224.88751 -221.39792 3.48959 1.80314 -221.24689 319.01129
7335.0000 -224.85335 -221.04403 3.80932 1.80006 -221.30721 315.11532
7340.0000 -224.63763 -221.08388 3.55376 1.80418 -221.22635 317.57651
7345.0000 -224.83286 -221.27494 3.55792 1.80385 -221.23282 320.33558
7350.0000 -224.28827 -220.41720 3.87107 1.81399 -221.03376 329.06285
7355.0000 -224.47354 -219.98530 4.48823 1.84753 -220.37533 353.39182
7360.0000 -225.28469 -220.89651 4.38817 1.84065 -220.51041 348.12508
7365.0000 -224.59807 -221.15743 3.44064 1.82276 -220.86158 333.89665
7370.0000 -224.51220 -220.76603 3.74618 1.81256 -221.06187 326.74428
7375.0000 -224.69362 -221.00866 3.68496 1.81745 -220.96576 328.04406
7380.0000 -224.75808 -220.50844 4.24964 1.80450 -221.22019 317.91177
7385.0000 -223.83138 -219.92252 3.90886 1.86441 -220.04374 369.60947
7390.0000 -224.15342 -219.98895 4.16447 1.84366 -220.45128 353.08624
7395.0000 -224.53949 -221.15127 3.38821 1.82748 -220.76894 339.39159
7400.0000 -225.21478 -220.88902 4.32576 1.82255 -220.86570 337.76962
7405.0000 -224.30751 -221.00539 3.30212 1.82446 -220.82829 332.89788
7410.0000 -224.62171 -221.02530 3.59641 1.80741 -221.16305 317.12254
7415.0000 -224.50762 -220.61518 3.89244 1.83079 -220.70386 333.21683
7420.0000 -224.19858 -220.74075 3.45783 1.82516 -220.81457 330.41500
7425.0000 -225.22806 -221.17703 4.05103 1.81432 -221.02726 326.92953
7430.0000 -224.49535 -220.60382 3.89153 1.83064 -220.70693 341.18778
7435.0000 -225.10036 -220.93614 4.16422 1.81852 -220.94478 331.27864
7440.0000 -224.60339 -220.52561 4.07777 1.81623 -220.98990 328.63953
7445.0000 -224.52077 -221.23059 3.29018 1.83159 -220.68818 340.82645
7450.0000 -224.36738 -220.63084 3.73653 1.81862 -220.94293 331.54332
7455.0000 -225.02600 -220.84073 4.18527 1.83287 -220.66318 341.87189
7460.0000 -224.31292 -220.10083 4.21209 1.83160 -220.68811 335.84245
7465.0000 -225.00747 -221.33996 3.66751 1.84624 -220.40068 352.29525
7470.0000 -225.03080 -221.45375 3.57705 1.80059 -221.29682 320.56987
7475.0000 -224.73704 -221.05307 3.68397 1.81142 -221.08430 324.77836
7480.0000 -224.77632 -221.14251 3.63381 1.80627 -221.18543 321.49570
7485.0000 -224.45527 -220.60149 3.85379 1.81857 -220.94377 332.03246
7490.0000 -224.37223 -220.62103 3.75121 1.83558 -220.60989 345.51165
7495.0000 -224.95491 -221.32670 3.62821 1.81685 -220.97763 330.96229
7500.0000 -225.08118 -221.44906 3.63212 1.80470 -221.21615 322.70501
FREEZING PROCESS: loop number 31 T-loop= 314.00000000000000
main_MD> interactions number 31 at Temperature= 314.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.40853 2.17657 0.74417
force_rgl> df(natom) -0.36072 0.45235 1.84542
7505.0000 -225.25172 -221.81205 3.43967 1.78985 -221.50773 306.35113
7510.0000 -225.06250 -221.34577 3.71673 1.77929 -221.71500 301.86859
7515.0000 -224.67476 -221.06828 3.60648 1.80690 -221.17291 327.08678
7520.0000 -224.85789 -221.40475 3.45313 1.79565 -221.39378 312.01588
7525.0000 -224.77955 -221.28690 3.49266 1.79570 -221.39281 312.37457
7530.0000 -224.47094 -221.16404 3.30690 1.79179 -221.46975 314.06981
7535.0000 -224.50045 -221.38003 3.12041 1.81148 -221.08303 330.65103
7540.0000 -225.09321 -221.68637 3.40684 1.79638 -221.37950 313.79563
7545.0000 -224.59777 -221.01141 3.58635 1.79029 -221.49910 309.09589
7550.0000 -224.74956 -221.29428 3.45528 1.80550 -221.20051 321.15647
7555.0000 -225.42993 -221.45658 3.97336 1.80479 -221.21448 321.29162
7560.0000 -224.86811 -221.26272 3.60539 1.80110 -221.28693 318.40779
7565.0000 -224.59780 -221.08078 3.51702 1.81225 -221.06791 325.76273
7570.0000 -224.82175 -221.20190 3.61986 1.80023 -221.30394 317.23481
7575.0000 -225.12231 -221.34558 3.77673 1.81878 -220.93966 323.95958
7580.0000 -225.02536 -221.76577 3.25960 1.77405 -221.81789 295.09986
7585.0000 -225.23621 -221.98780 3.24841 1.76075 -222.07921 285.66338
7590.0000 -224.44472 -220.81268 3.63204 1.79858 -221.33642 314.01160
7595.0000 -224.61692 -221.23106 3.38586 1.81887 -220.93803 332.23725
7600.0000 -224.98066 -221.16790 3.81276 1.79537 -221.39938 310.22739
7605.0000 -224.60923 -221.26525 3.34399 1.81188 -221.07525 320.46242
7610.0000 -224.91521 -220.83384 4.08136 1.81434 -221.02701 320.87927
7615.0000 -224.08992 -219.93484 4.15508 1.85613 -220.20632 357.20076
7620.0000 -224.13686 -220.65882 3.47804 1.83681 -220.58572 336.44032
7625.0000 -224.25521 -221.09799 3.15721 1.82019 -220.91212 325.43630
7630.0000 -224.05619 -220.45612 3.60007 1.80968 -221.11843 314.23079
7635.0000 -224.66328 -221.03458 3.62870 1.83311 -220.65839 328.70988
7640.0000 -225.26576 -221.82780 3.43797 1.79000 -221.50476 302.54708
7645.0000 -224.94812 -221.64317 3.30494 1.78469 -221.60910 295.75614
7650.0000 -224.63215 -220.92591 3.70624 1.80225 -221.26433 310.29380
7655.0000 -224.14617 -220.79696 3.34920 1.81028 -221.10662 316.46726
7660.0000 -224.93664 -221.50857 3.42806 1.80033 -221.30191 310.86127
7665.0000 -225.47301 -222.27467 3.19834 1.76904 -221.91637 292.75284
7670.0000 -225.22203 -222.15879 3.06325 1.78477 -221.60744 303.27246
7675.0000 -225.15646 -221.73925 3.41720 1.78823 -221.53948 308.03548
7680.0000 -225.08597 -221.68166 3.40432 1.78747 -221.55458 309.16970
7685.0000 -225.45748 -221.87144 3.58604 1.77000 -221.89757 292.83757
7690.0000 -224.83838 -221.53977 3.29861 1.79751 -221.35737 315.75884
7695.0000 -224.80190 -221.23626 3.56564 1.79025 -221.49998 309.25658
7700.0000 -225.01300 -221.92621 3.08678 1.80010 -221.30654 317.06545
7705.0000 -225.46752 -221.97488 3.49264 1.77260 -221.84645 298.71454
7710.0000 -224.82637 -221.26689 3.55948 1.78606 -221.58223 306.12878
7715.0000 -224.66582 -220.57610 4.08972 1.81058 -221.10066 326.95832
7720.0000 -224.91776 -220.87669 4.04107 1.82255 -220.86568 334.85111
7725.0000 -224.47881 -221.22044 3.25836 1.80793 -221.15278 325.39580
7730.0000 -224.84961 -221.50033 3.34928 1.80234 -221.26244 319.83884
7735.0000 -224.83111 -221.79928 3.03183 1.76999 -221.89767 291.03466
7740.0000 -224.86155 -221.34018 3.52137 1.79369 -221.43233 309.06655
7745.0000 -225.44472 -221.83804 3.60668 1.78700 -221.56372 306.55993
7750.0000 -225.30330 -221.98201 3.32129 1.76858 -221.92530 291.94370
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 57.3917508 [s].
main_MD> Deallocating global variables
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