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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_99/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_99.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 = 99 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 99 9900
main_MD> Size of nv and nvoiz: 99 9900
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 = 99
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> 2.8336640832198702E-002 -9.5947231892178405E-003 4.4503056426465348E-002 initial drift of cluster / NP1 for coalescence
init> 0.29986069089291889 0.31565503360469427 0.29846070301647498 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6218773908596505E-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) 7.58530 -4.75990 3.84515
force_rgl> df(natom) 0.02938 1.84554 1.97731
preparo> THERMALIZATION PROCESS AT 1132.8138022180146
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -223.18947708740154 15.876293490823159 -239.06577057822469 6.7345917613156306E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 33
FREEZING PROCESS: loop number 1 T-loop= 1113.0000000000000
main_MD> interactions number 1 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.22098 0.10736 -1.57088
force_rgl> df(natom) -5.93894 -4.63068 -4.41617
5.0000 -238.55232 -224.55980 13.99253 3.19615 -223.65084 1069.62264
10.0000 -239.28413 -225.63698 13.64715 3.09961 -225.71686 1042.83148
15.0000 -236.41802 -222.40412 14.01390 3.18282 -223.93604 1093.31658
20.0000 -236.06352 -223.63321 12.43031 3.25305 -222.43320 1156.42350
25.0000 -237.28275 -222.80556 14.47720 3.20845 -223.38758 1094.72135
30.0000 -238.10130 -224.90447 13.19683 3.16028 -224.41859 1094.04640
35.0000 -237.31492 -225.04831 12.26661 3.14661 -224.71100 1078.30590
40.0000 -236.61602 -222.36864 14.24737 3.20472 -223.46753 1146.99538
45.0000 -237.96059 -224.29907 13.66152 3.19997 -223.56915 1102.81389
50.0000 -237.95237 -223.48612 14.46625 3.16984 -224.21383 1076.44579
55.0000 -238.09337 -224.31745 13.77592 3.18073 -223.98081 1113.09399
60.0000 -239.06684 -224.82677 14.24006 3.10051 -225.69765 1051.09747
65.0000 -238.57946 -223.97409 14.60537 3.20200 -223.52571 1140.24248
70.0000 -237.59296 -224.69395 12.89901 3.14746 -224.69278 1062.63521
75.0000 -236.93617 -223.37515 13.56102 3.19911 -223.58755 1076.27515
80.0000 -239.68146 -227.21149 12.46997 3.15092 -224.61889 1089.61446
85.0000 -238.39883 -225.45126 12.94757 3.10190 -225.66782 1052.23359
90.0000 -236.63369 -223.94807 12.68562 3.12105 -225.25795 1037.54399
95.0000 -235.15756 -222.51983 12.63773 3.18398 -223.91121 1114.61293
100.0000 -236.62198 -223.83305 12.78893 3.16618 -224.29215 1074.58645
105.0000 -239.00132 -224.23451 14.76681 3.18040 -223.98782 1085.86867
110.0000 -238.00964 -224.23619 13.77345 3.16675 -224.28009 1102.27053
115.0000 -237.79985 -224.43870 13.36115 3.12129 -225.25285 1074.88850
120.0000 -236.06151 -220.23916 15.82235 3.25631 -222.36338 1150.53146
125.0000 -234.78895 -219.65856 15.13039 3.35074 -220.34266 1194.46738
130.0000 -236.78738 -220.35294 16.43444 3.36718 -219.99081 1215.52333
135.0000 -234.62436 -220.65026 13.97410 3.28831 -221.67858 1154.86905
140.0000 -238.26034 -222.30146 15.95888 3.28809 -221.68329 1159.60920
145.0000 -239.60060 -224.13350 15.46710 3.24118 -222.68729 1111.12083
150.0000 -237.57101 -222.15639 15.41461 3.18711 -223.84428 1093.93131
155.0000 -237.03292 -224.01763 13.01528 3.23376 -222.84606 1114.86028
160.0000 -240.46385 -226.10267 14.36118 3.19248 -223.72931 1137.89217
165.0000 -238.00018 -223.26563 14.73454 3.12047 -225.27040 1077.37948
170.0000 -236.17091 -223.44692 12.72400 3.23483 -222.82300 1136.52157
175.0000 -239.36478 -226.36679 12.99798 3.11587 -225.36885 1061.72753
180.0000 -240.95471 -227.41285 13.54185 3.06815 -226.39006 1039.37252
185.0000 -240.38226 -228.77790 11.60436 3.00959 -227.64331 1010.33808
190.0000 -241.80608 -227.82595 13.98012 2.95700 -228.76873 969.80424
195.0000 -237.67704 -222.86635 14.81069 3.07597 -226.22284 1037.18948
200.0000 -239.43951 -224.79618 14.64332 3.14614 -224.72111 1076.75929
205.0000 -238.91886 -225.75334 13.16552 3.19833 -223.60422 1103.32419
210.0000 -239.68398 -225.11126 14.57272 3.11639 -225.35777 1059.37259
215.0000 -236.82753 -223.78459 13.04294 3.13167 -225.03077 1058.95617
220.0000 -240.55073 -225.64066 14.91006 3.15936 -224.43821 1105.52707
225.0000 -239.58755 -224.64620 14.94134 3.11553 -225.37623 1040.88822
230.0000 -238.04969 -223.70797 14.34172 3.16394 -224.34016 1099.02332
235.0000 -238.08486 -222.57466 15.51019 3.26435 -222.19129 1119.26991
240.0000 -233.89920 -220.80002 13.09918 3.22018 -223.13654 1088.67350
245.0000 -238.54699 -223.87366 14.67333 3.30112 -221.40452 1130.40806
250.0000 -239.41163 -224.34516 15.06647 3.18815 -223.82201 1102.83821
FREEZING PROCESS: loop number 2 T-loop= 1088.0000000000000
main_MD> interactions number 2 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.81204 2.38488 -5.61909
force_rgl> df(natom) 3.09844 -2.79787 -1.05696
255.0000 -236.18467 -223.96705 12.21762 3.20032 -223.56152 1082.33663
260.0000 -237.92907 -224.10685 13.82222 3.19101 -223.76082 1110.16686
265.0000 -237.20916 -225.10073 12.10843 3.12843 -225.10017 1059.06508
270.0000 -234.77385 -220.01344 14.76042 3.29658 -221.50154 1173.86749
275.0000 -235.39356 -221.66315 13.73040 3.24217 -222.66595 1100.77990
280.0000 -234.88793 -222.10994 12.77799 3.22982 -222.93024 1115.51684
285.0000 -234.14801 -220.65037 13.49764 3.33246 -220.73370 1182.07583
290.0000 -238.00056 -222.33134 15.66922 3.30158 -221.39457 1159.27842
295.0000 -239.33823 -223.04527 16.29296 3.26482 -222.18133 1168.31944
300.0000 -238.85682 -223.54734 15.30948 3.22668 -222.99755 1124.86672
305.0000 -238.96152 -225.30617 13.65535 3.17850 -224.02867 1100.14603
310.0000 -238.07708 -223.81627 14.26080 3.17135 -224.18167 1077.66533
315.0000 -236.62969 -222.81229 13.81740 3.26512 -222.17479 1121.59950
320.0000 -237.00722 -224.42950 12.57773 3.24060 -222.69955 1129.50123
325.0000 -238.93059 -226.07165 12.85894 3.18460 -223.89806 1088.30879
330.0000 -237.85392 -224.26300 13.59093 3.14815 -224.67801 1064.01542
335.0000 -239.43143 -225.80903 13.62240 3.15479 -224.53590 1069.78517
340.0000 -238.75066 -223.55591 15.19474 3.11739 -225.33641 1067.31883
345.0000 -238.15461 -224.09183 14.06279 3.17607 -224.08063 1075.45838
350.0000 -238.38961 -224.65286 13.73676 3.17977 -224.00138 1087.99369
355.0000 -237.94417 -223.13297 14.81119 3.15919 -224.44178 1077.52819
360.0000 -239.44065 -223.58814 15.85251 3.19867 -223.59695 1076.10552
365.0000 -239.77354 -226.23733 13.53621 3.13355 -224.99054 1069.65113
370.0000 -239.14920 -226.17537 12.97382 3.08262 -226.08053 1044.32438
375.0000 -238.76302 -224.81715 13.94586 3.17630 -224.07558 1091.42467
380.0000 -238.17588 -223.52948 14.64640 3.20935 -223.36838 1115.65078
385.0000 -237.25885 -221.77008 15.48877 3.29899 -221.44995 1183.95536
390.0000 -239.59660 -225.69106 13.90554 3.16812 -224.25082 1093.12419
395.0000 -238.44381 -223.51317 14.93063 3.20360 -223.49147 1125.20454
400.0000 -238.49886 -226.34820 12.15066 3.13292 -225.00407 1082.63210
405.0000 -239.88372 -226.94625 12.93747 3.06321 -226.49594 1011.36226
410.0000 -238.66573 -224.48824 14.17749 3.09821 -225.74682 1053.50104
415.0000 -237.39428 -223.75993 13.63435 3.19286 -223.72123 1116.24414
420.0000 -238.36428 -224.86523 13.49905 3.16892 -224.23350 1073.24478
425.0000 -238.86901 -225.02175 13.84726 3.10651 -225.56916 1029.08908
430.0000 -240.48462 -225.16211 15.32251 3.09830 -225.74490 1064.29205
435.0000 -239.80020 -225.73987 14.06033 3.10654 -225.56857 1070.00336
440.0000 -238.67879 -222.63679 16.04200 3.19579 -223.65847 1089.30099
445.0000 -237.39191 -222.51281 14.87910 3.20087 -223.54993 1095.11210
450.0000 -237.09798 -219.43153 17.66645 3.28966 -221.64981 1180.37101
455.0000 -238.17640 -223.29047 14.88594 3.29383 -221.56038 1168.94571
460.0000 -237.93929 -224.86163 13.07765 3.12688 -225.13324 1060.77002
465.0000 -236.71914 -223.07247 13.64667 3.24494 -222.60674 1131.94680
470.0000 -234.74010 -220.45941 14.28068 3.24579 -222.58858 1133.25761
475.0000 -237.83433 -224.53807 13.29627 3.23634 -222.79070 1139.14247
480.0000 -237.21099 -222.45834 14.75265 3.21403 -223.26825 1124.89680
485.0000 -237.77334 -221.58931 16.18403 3.20743 -223.40937 1128.43017
490.0000 -238.31854 -224.56611 13.75243 3.21474 -223.25294 1111.32599
495.0000 -239.32819 -224.60591 14.72228 3.19728 -223.62661 1110.98323
500.0000 -238.19498 -223.12830 15.06668 3.14916 -224.65651 1068.02371
FREEZING PROCESS: loop number 3 T-loop= 1063.0000000000000
main_MD> interactions number 3 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29803 -0.33697 0.00742
force_rgl> df(natom) 1.14390 1.71446 -2.29832
505.0000 -239.36254 -223.37106 15.99148 3.23401 -222.84073 1104.51554
510.0000 -237.74265 -224.32117 13.42147 3.26683 -222.13837 1149.50142
515.0000 -239.54803 -225.31182 14.23620 3.12302 -225.21590 1058.71106
520.0000 -238.20687 -226.46345 11.74342 3.19383 -223.70059 1094.88956
525.0000 -240.69390 -228.04367 12.65022 3.01160 -227.60036 976.93171
530.0000 -237.24616 -224.62833 12.61783 3.03468 -227.10641 998.86196
535.0000 -234.21920 -221.86300 12.35619 3.21162 -223.31979 1102.96918
540.0000 -239.55043 -229.04640 10.50403 3.07078 -226.33386 1034.93301
545.0000 -239.45034 -227.14522 12.30512 2.99842 -227.88241 991.37808
550.0000 -240.54908 -227.13115 13.41793 3.04023 -226.98768 1021.04085
555.0000 -239.17431 -227.87327 11.30104 3.05172 -226.74164 1011.05675
560.0000 -240.64967 -227.96226 12.68741 2.99916 -227.86662 965.08602
565.0000 -238.09771 -224.90210 13.19561 3.02624 -227.28708 987.25910
570.0000 -239.87718 -224.70292 15.17426 3.13102 -225.04458 1048.55862
575.0000 -242.91914 -231.03193 11.88721 3.00527 -227.73583 998.99683
580.0000 -240.82914 -228.49782 12.33132 2.93507 -229.23819 964.66840
585.0000 -238.71122 -225.06327 13.64795 3.07391 -226.26692 1018.34086
590.0000 -238.34384 -222.16273 16.18111 3.15380 -224.55715 1100.35899
595.0000 -238.86753 -223.14101 15.72653 3.26524 -222.17239 1169.85491
600.0000 -237.32734 -222.68170 14.64564 3.24418 -222.62292 1116.18823
605.0000 -236.84185 -222.42781 14.41405 3.21780 -223.18757 1110.01336
610.0000 -237.37780 -225.22222 12.15558 3.19366 -223.70425 1076.57691
615.0000 -235.77454 -221.69760 14.07694 3.23197 -222.88421 1120.48891
620.0000 -239.77856 -225.10171 14.67685 3.18049 -223.98603 1080.26903
625.0000 -237.69266 -226.13405 11.55861 3.11392 -225.41056 1083.57029
630.0000 -239.60946 -224.94202 14.66745 3.09871 -225.73617 1067.49886
635.0000 -238.55564 -225.90078 12.65487 3.07675 -226.20617 1056.04782
640.0000 -242.62352 -229.22228 13.40124 3.03626 -227.07254 1007.18698
645.0000 -240.63545 -228.20903 12.42642 2.99435 -227.96958 1006.72059
650.0000 -240.58129 -227.06447 13.51682 2.97844 -228.30997 980.24110
655.0000 -238.75478 -224.30338 14.45140 3.03287 -227.14513 999.55681
660.0000 -236.76673 -221.59861 15.16812 3.15470 -224.53786 1082.67375
665.0000 -236.25408 -222.01733 14.23675 3.25726 -222.34306 1146.38862
670.0000 -235.36610 -219.83406 15.53204 3.37970 -219.72287 1195.12014
675.0000 -237.10226 -223.07944 14.02282 3.28918 -221.66008 1184.27460
680.0000 -237.07916 -222.59433 14.48483 3.22522 -223.02867 1127.74793
685.0000 -241.75273 -227.79362 13.95911 3.10122 -225.68248 1041.99783
690.0000 -240.33508 -226.22425 14.11083 3.06156 -226.53111 1014.54140
695.0000 -236.61847 -223.87689 12.74159 3.16663 -224.28267 1088.64929
700.0000 -236.63869 -222.04887 14.58982 3.22700 -222.99056 1097.28669
705.0000 -237.59473 -223.01729 14.57744 3.21069 -223.33963 1118.90548
710.0000 -236.86633 -222.89669 13.96964 3.18628 -223.86212 1085.02420
715.0000 -238.48826 -223.89786 14.59041 3.21635 -223.21861 1111.53056
720.0000 -239.98934 -227.15832 12.83103 3.11175 -225.45698 1045.54791
725.0000 -238.55921 -226.16962 12.38959 3.00877 -227.66093 978.38749
730.0000 -239.75728 -227.05256 12.70472 3.05908 -226.58429 1044.31781
735.0000 -240.88334 -228.71872 12.16462 2.98013 -228.27389 952.19831
740.0000 -240.45032 -227.97573 12.47459 2.97584 -228.36571 956.31715
745.0000 -239.42425 -226.26764 13.15661 3.02940 -227.21935 1013.99690
750.0000 -236.40384 -224.72224 11.68160 3.14959 -224.64731 1058.04033
FREEZING PROCESS: loop number 4 T-loop= 1038.0000000000000
main_MD> interactions number 4 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.83054 -0.01271 1.02372
force_rgl> df(natom) -1.02554 -1.05629 0.35699
755.0000 -236.55242 -224.42693 12.12549 3.13239 -225.01535 1037.73791
760.0000 -238.79811 -225.90794 12.89018 3.13495 -224.96064 1089.46640
765.0000 -240.83287 -228.67210 12.16076 3.00849 -227.66691 1014.19833
770.0000 -238.26318 -225.40778 12.85540 3.01654 -227.49468 1010.22948
775.0000 -239.02644 -226.99563 12.03081 3.05149 -226.74661 997.32054
780.0000 -239.23108 -226.67791 12.55317 3.03487 -227.10241 1015.05054
785.0000 -241.35603 -229.41974 11.93629 2.97551 -228.37257 965.14701
790.0000 -237.61902 -223.94440 13.67462 2.99369 -227.98366 950.11259
795.0000 -240.01170 -229.57893 10.43278 3.06277 -226.50525 1039.69000
800.0000 -241.29174 -229.49966 11.79208 2.90279 -229.92887 925.17723
805.0000 -239.33022 -227.58084 11.74938 3.01974 -227.42611 1006.64578
810.0000 -240.62310 -227.72480 12.89830 3.08069 -226.12176 1038.71863
815.0000 -238.88997 -224.49563 14.39434 3.10200 -225.66567 1059.04648
820.0000 -236.20107 -220.54832 15.65275 3.19830 -223.60484 1101.21058
825.0000 -237.81795 -223.74530 14.07265 3.27421 -221.98045 1156.87477
830.0000 -240.58815 -228.49276 12.09539 3.13597 -224.93866 1095.12579
835.0000 -238.02730 -224.93920 13.08810 3.11525 -225.38224 1045.11821
840.0000 -239.94332 -227.14787 12.79546 3.07289 -226.28861 1031.64761
845.0000 -239.05280 -225.44474 13.60806 3.10695 -225.55987 1050.83015
850.0000 -240.60326 -227.39246 13.21080 3.06862 -226.38001 1026.11594
855.0000 -240.41435 -225.74272 14.67163 3.06702 -226.41429 1034.56257
860.0000 -239.98221 -224.87237 15.10983 3.12147 -225.24901 1055.74007
865.0000 -239.73138 -224.88519 14.84619 3.07693 -226.20228 1022.11502
870.0000 -238.05945 -224.10984 13.94961 3.15657 -224.49784 1056.10657
875.0000 -238.68114 -225.69506 12.98609 3.14623 -224.71920 1079.60784
880.0000 -237.20819 -225.20151 12.00669 3.11248 -225.44142 1074.55217
885.0000 -238.98910 -227.03374 11.95536 3.06635 -226.42860 1019.61785
890.0000 -239.11748 -225.98866 13.12882 3.10166 -225.67295 1057.97448
895.0000 -237.28719 -224.24399 13.04320 3.13424 -224.97571 1068.56965
900.0000 -240.37304 -226.15796 14.21509 3.14232 -224.80276 1085.16672
905.0000 -242.15062 -227.02417 15.12645 3.06976 -226.35572 1041.24998
910.0000 -238.55765 -226.91844 11.63921 3.05048 -226.76829 1028.21529
915.0000 -241.06498 -228.68871 12.37627 2.96479 -228.60204 959.38110
920.0000 -238.46715 -224.41419 14.05296 3.09274 -225.86392 1058.29952
925.0000 -239.57186 -227.36456 12.20730 3.08150 -226.10440 1024.79633
930.0000 -238.75961 -226.14786 12.61175 3.04437 -226.89912 981.56351
935.0000 -240.69616 -227.67546 13.02070 3.11828 -225.31728 1038.16643
940.0000 -239.95101 -224.97648 14.97453 3.04902 -226.79959 1004.21958
945.0000 -238.59216 -225.58867 13.00349 3.08646 -225.99833 1051.56081
950.0000 -240.02832 -226.81338 13.21494 3.04136 -226.96355 1024.50424
955.0000 -242.18765 -228.27317 13.91448 2.97801 -228.31909 963.96136
960.0000 -240.85183 -227.51478 13.33706 3.07659 -226.20952 1014.10170
965.0000 -238.46390 -224.18680 14.27710 3.04438 -226.89890 1023.50028
970.0000 -237.45161 -224.04754 13.40407 3.16240 -224.37320 1088.28986
975.0000 -238.86259 -225.09069 13.77189 3.13819 -224.89121 1085.00823
980.0000 -237.28850 -223.40342 13.88508 3.23185 -222.88680 1113.56156
985.0000 -238.13116 -224.73196 13.39920 3.18628 -223.86202 1100.65385
990.0000 -239.65684 -227.42856 12.22827 3.09822 -225.74665 1047.16529
995.0000 -240.13389 -228.86076 11.27313 2.98626 -228.14252 954.61322
1000.0000 -240.94624 -228.64417 12.30207 2.97544 -228.37417 954.05305
FREEZING PROCESS: loop number 5 T-loop= 1013.0000000000000
main_MD> interactions number 5 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24192 0.85324 -2.35348
force_rgl> df(natom) 5.00764 -4.64445 -2.63817
1005.0000 -239.67373 -226.20188 13.47185 3.00403 -227.76227 994.73811
1010.0000 -239.26555 -224.51238 14.75317 3.14366 -224.77421 1087.94239
1015.0000 -240.13432 -226.84787 13.28645 3.07173 -226.31345 1048.19057
1020.0000 -241.30482 -227.83436 13.47046 3.05535 -226.66395 1042.18831
1025.0000 -239.61412 -227.58934 12.02479 3.00311 -227.78208 993.45076
1030.0000 -240.19455 -227.70590 12.48865 3.01225 -227.58631 1003.18485
1035.0000 -240.61516 -227.78001 12.83515 2.93509 -229.23777 943.08188
1040.0000 -239.92572 -228.56149 11.36423 3.03714 -227.05381 1015.66332
1045.0000 -242.21881 -229.10261 13.11620 2.98537 -228.16155 978.94654
1050.0000 -240.59588 -228.65957 11.93631 2.96769 -228.54009 986.72842
1055.0000 -240.48685 -229.19208 11.29477 2.99611 -227.93191 992.02724
1060.0000 -238.63918 -226.31303 12.32615 3.00110 -227.82499 1002.91173
1065.0000 -240.09774 -226.42603 13.67171 3.04191 -226.95168 997.95419
1070.0000 -238.41453 -225.04730 13.36722 3.08699 -225.98686 1023.57787
1075.0000 -240.31568 -225.70347 14.61221 3.07654 -226.21063 1026.30363
1080.0000 -240.02113 -227.15525 12.86587 3.05674 -226.63437 1007.34083
1085.0000 -240.20974 -227.40111 12.80863 3.03870 -227.02042 1025.95529
1090.0000 -240.54013 -226.42861 14.11152 3.04172 -226.95576 998.78226
1095.0000 -238.94012 -225.50440 13.43572 3.04630 -226.85762 1035.77432
1100.0000 -237.74433 -225.96509 11.77923 3.11303 -225.42971 1025.22517
1105.0000 -239.07820 -225.59109 13.48712 3.09377 -225.84182 1053.56426
1110.0000 -237.30811 -222.71800 14.59011 3.11311 -225.42797 1041.33827
1115.0000 -240.23924 -225.41897 14.82027 3.12648 -225.14191 1077.61601
1120.0000 -237.56958 -224.25369 13.31590 3.17210 -224.16550 1094.64375
1125.0000 -241.37233 -226.65286 14.71947 3.08288 -226.07496 1065.15510
1130.0000 -240.75076 -226.57842 14.17234 3.06543 -226.44843 1023.04633
1135.0000 -240.81376 -227.58957 13.22419 3.04614 -226.86110 1022.95544
1140.0000 -240.74890 -226.78182 13.96708 3.06451 -226.46810 1062.90325
1145.0000 -239.20275 -226.58845 12.61430 3.05778 -226.61200 1027.98463
1150.0000 -238.93558 -226.13608 12.79951 3.03962 -227.00072 988.11742
1155.0000 -239.44038 -229.24792 10.19246 3.04370 -226.91337 1007.00336
1160.0000 -240.85746 -226.29171 14.56575 2.93669 -229.20335 984.54588
1165.0000 -236.95016 -224.81313 12.13703 3.12035 -225.27308 1053.66030
1170.0000 -236.81901 -223.58956 13.22945 3.17879 -224.02233 1104.09190
1175.0000 -239.87925 -227.19357 12.68568 3.17555 -224.09171 1090.31218
1180.0000 -238.80121 -225.43877 13.36244 3.05788 -226.60991 1018.19260
1185.0000 -239.74167 -227.12598 12.61569 3.03129 -227.17903 1017.72468
1190.0000 -239.76037 -228.03005 11.73032 3.00931 -227.64930 998.68621
1195.0000 -240.52920 -225.80814 14.72106 3.04347 -226.91836 1005.79144
1200.0000 -239.60219 -225.18880 14.41339 3.10528 -225.59547 1056.12015
1205.0000 -238.37662 -227.21049 11.16613 3.03367 -227.12796 1010.91343
1210.0000 -239.27411 -226.65645 12.61766 3.03357 -227.13020 1021.49491
1215.0000 -238.00835 -224.06096 13.94739 3.14684 -224.70622 1073.93052
1220.0000 -238.98795 -224.28265 14.70530 3.17577 -224.08697 1117.56796
1225.0000 -240.40690 -227.35722 13.04969 3.12718 -225.12684 1066.50212
1230.0000 -239.72385 -226.50380 13.22005 3.01907 -227.44047 992.53051
1235.0000 -238.39849 -227.12747 11.27102 3.09321 -225.85393 1006.12220
1240.0000 -241.27704 -227.23629 14.04075 3.06549 -226.44703 1023.65180
1245.0000 -239.23048 -226.01820 13.21228 3.03385 -227.12407 1018.94226
1250.0000 -238.80973 -227.59806 11.21167 3.10999 -225.49483 1037.33869
FREEZING PROCESS: loop number 6 T-loop= 988.00000000000000
main_MD> interactions number 6 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15386 -0.01024 2.42376
force_rgl> df(natom) 1.42701 -1.53911 -0.78266
1255.0000 -239.22252 -225.15217 14.07036 3.08047 -226.12649 1022.39723
1260.0000 -240.20389 -224.73952 15.46437 3.08831 -225.95876 1028.13604
1265.0000 -239.81196 -227.14572 12.66624 3.07997 -226.13708 1013.27187
1270.0000 -240.63055 -229.14301 11.48755 3.03244 -227.15425 1012.27851
1275.0000 -243.25363 -229.47161 13.78201 2.95654 -228.77867 991.11401
1280.0000 -241.90488 -229.63594 12.26894 2.93361 -229.26939 945.49139
1285.0000 -239.93332 -227.49736 12.43596 3.01405 -227.54784 1002.68952
1290.0000 -242.56679 -228.59111 13.97568 3.03514 -227.09657 1023.49307
1295.0000 -240.80660 -228.89791 11.90869 3.01812 -227.46079 971.51290
1300.0000 -241.39376 -228.56272 12.83104 2.90763 -229.82536 931.14938
1305.0000 -238.85410 -225.16260 13.69151 3.01894 -227.44323 1012.15788
1310.0000 -238.28309 -225.68215 12.60093 3.10242 -225.65668 1032.97323
1315.0000 -242.02242 -228.97588 13.04654 3.02119 -227.39501 978.57087
1320.0000 -239.30289 -225.80317 13.49972 2.99819 -227.88733 973.75153
1325.0000 -239.40198 -225.06575 14.33624 3.13729 -224.91053 1069.79631
1330.0000 -238.50173 -225.81029 12.69144 3.12794 -225.11051 1061.75758
1335.0000 -240.67828 -228.82976 11.84853 2.99096 -228.04202 982.32032
1340.0000 -239.61320 -226.36231 13.25088 3.01044 -227.62508 989.13151
1345.0000 -240.27208 -227.79155 12.48053 3.03665 -227.06428 999.59608
1350.0000 -240.50936 -227.44098 13.06838 2.97681 -228.34480 979.28038
1355.0000 -239.04789 -226.01654 13.03135 3.08208 -226.09196 1023.96527
1360.0000 -238.35337 -226.26108 12.09228 3.06274 -226.50592 987.87205
1365.0000 -240.70490 -227.35358 13.35132 3.05625 -226.64476 1013.32959
1370.0000 -239.03008 -226.13570 12.89438 3.06098 -226.54366 1029.38107
1375.0000 -238.76905 -227.94836 10.82069 3.03968 -226.99933 1005.65510
1380.0000 -239.38166 -226.26385 13.11780 3.02573 -227.29790 1005.18246
1385.0000 -238.14589 -225.84591 12.29999 3.11804 -225.32246 1065.55172
1390.0000 -239.27994 -226.93829 12.34165 3.07554 -226.23197 1025.33185
1395.0000 -240.25890 -227.20760 13.05130 3.06774 -226.39885 1027.76429
1400.0000 -238.21435 -225.60107 12.61328 3.06405 -226.47790 1049.73763
1405.0000 -239.90319 -228.51333 11.38986 3.05203 -226.73516 1028.58106
1410.0000 -239.94994 -228.05770 11.89224 2.96458 -228.60647 971.85439
1415.0000 -240.04300 -227.28579 12.75721 2.96605 -228.57507 969.10057
1420.0000 -238.09874 -226.04980 12.04894 3.04609 -226.86231 1009.61869
1425.0000 -240.89667 -226.27614 14.62053 3.05380 -226.69730 1033.57944
1430.0000 -240.45445 -228.98202 11.47243 2.97866 -228.30520 983.11610
1435.0000 -240.77416 -228.32976 12.44440 2.98946 -228.07404 971.41612
1440.0000 -241.08054 -228.09016 12.99038 2.98740 -228.11822 983.24492
1445.0000 -240.61362 -228.21260 12.40102 2.95181 -228.87994 942.55219
1450.0000 -238.27407 -224.94168 13.33239 3.06634 -226.42892 1012.26921
1455.0000 -237.01237 -225.09942 11.91295 3.16185 -224.38486 1097.47673
1460.0000 -238.53427 -226.57578 11.95849 3.15125 -224.61179 1073.00413
1465.0000 -239.66972 -227.37173 12.29798 3.06197 -226.52241 998.31061
1470.0000 -239.42508 -226.04437 13.38071 3.04843 -226.81221 1013.60609
1475.0000 -241.04436 -229.12511 11.91925 2.96734 -228.54744 975.64971
1480.0000 -240.50821 -228.69513 11.81307 3.00755 -227.68690 999.22680
1485.0000 -242.16104 -230.87864 11.28240 2.92890 -229.37008 937.05412
1490.0000 -241.27023 -229.19368 12.07655 2.94188 -229.09237 946.74024
1495.0000 -241.11511 -228.15415 12.96096 2.94521 -229.02101 941.66719
1500.0000 -239.46566 -227.09071 12.37495 3.02135 -227.39171 1004.73236
FREEZING PROCESS: loop number 7 T-loop= 963.00000000000000
main_MD> interactions number 7 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.97135 3.47708 -2.32867
force_rgl> df(natom) -1.43096 -0.86658 -1.55028
1505.0000 -240.10350 -225.98721 14.11628 3.02683 -227.27439 999.73184
1510.0000 -239.69418 -228.06187 11.63232 3.02855 -227.23763 1017.63187
1515.0000 -239.23944 -227.05541 12.18403 2.95787 -228.75024 950.02257
1520.0000 -242.71795 -231.40276 11.31520 2.93741 -229.18802 950.82093
1525.0000 -241.77361 -229.54318 12.23044 2.88452 -230.31990 925.08912
1530.0000 -240.39235 -226.70935 13.68300 2.97341 -228.41753 974.99950
1535.0000 -240.54699 -228.53492 12.01206 2.95034 -228.91131 945.24610
1540.0000 -240.17884 -229.10171 11.07713 2.93097 -229.32594 926.20561
1545.0000 -239.47125 -226.18129 13.28996 2.98391 -228.19281 977.45902
1550.0000 -240.12449 -226.78919 13.33530 3.04297 -226.92894 984.09669
1555.0000 -239.22584 -226.96276 12.26308 3.05529 -226.66531 1023.97729
1560.0000 -241.39014 -228.49252 12.89762 2.97991 -228.27844 946.69835
1565.0000 -240.34197 -228.19201 12.14996 2.95670 -228.77520 940.79382
1570.0000 -240.38716 -228.69133 11.69583 2.95897 -228.72663 946.11396
1575.0000 -241.11434 -229.20490 11.90944 3.01107 -227.61161 1006.22422
1580.0000 -239.46678 -228.50769 10.95909 2.98869 -228.09070 992.63496
1585.0000 -240.78380 -227.05793 13.72588 3.01772 -227.46931 993.45311
1590.0000 -239.99767 -227.39300 12.60467 3.02738 -227.26261 1005.22395
1595.0000 -242.12613 -229.78642 12.33972 2.91136 -229.74549 935.14174
1600.0000 -240.96899 -228.38704 12.58194 2.95137 -228.88919 960.85888
1605.0000 -241.80511 -229.58899 12.21612 2.98516 -228.16608 965.93936
1610.0000 -241.47479 -228.10316 13.37163 2.92463 -229.46142 923.38155
1615.0000 -241.95551 -230.05427 11.90124 2.92812 -229.38682 947.78422
1620.0000 -239.91371 -227.15294 12.76077 2.97711 -228.33838 956.27882
1625.0000 -239.28545 -226.14054 13.14490 3.05148 -226.74679 1025.83516
1630.0000 -241.08235 -228.18809 12.89427 3.04043 -226.98338 1006.72850
1635.0000 -242.14614 -228.77084 13.37529 2.98349 -228.20180 983.72692
1640.0000 -240.72772 -226.52639 14.20133 3.01682 -227.48861 991.06463
1645.0000 -242.01934 -228.73906 13.28028 3.02718 -227.26699 992.69617
1650.0000 -242.12044 -229.97304 12.14740 2.92376 -229.48005 933.73745
1655.0000 -240.37230 -227.46498 12.90731 2.96368 -228.62587 957.65434
1660.0000 -239.68610 -226.66263 13.02347 3.04355 -226.91654 1011.39702
1665.0000 -239.00716 -226.78027 12.22689 3.05635 -226.64257 995.30912
1670.0000 -239.48328 -227.54534 11.93793 2.97744 -228.33141 972.29114
1675.0000 -239.27964 -228.83798 10.44166 2.99669 -227.91937 995.14489
1680.0000 -239.73441 -228.09807 11.63634 2.97415 -228.40167 970.92968
1685.0000 -239.74134 -228.24495 11.49639 2.97981 -228.28075 953.84595
1690.0000 -242.05380 -228.98989 13.06391 2.95009 -228.91667 973.97389
1695.0000 -242.99149 -229.78018 13.21131 2.92381 -229.47902 958.80654
1700.0000 -238.99389 -228.12854 10.86535 2.91623 -229.64132 927.55492
1705.0000 -240.35303 -227.91871 12.43431 3.02632 -227.28535 978.89145
1710.0000 -240.48950 -228.74366 11.74584 2.95962 -228.71282 951.96972
1715.0000 -239.10304 -227.76821 11.33482 3.00022 -227.84383 977.56437
1720.0000 -239.76874 -226.46669 13.30205 3.06337 -226.49241 1044.60730
1725.0000 -242.24147 -230.69760 11.54388 2.90926 -229.79036 932.51518
1730.0000 -239.33118 -227.50304 11.82814 2.93977 -229.13748 944.45068
1735.0000 -241.86206 -229.16160 12.70046 2.95249 -228.86522 957.58434
1740.0000 -241.70666 -228.60047 13.10620 2.93979 -229.13708 939.49385
1745.0000 -243.92743 -230.28763 13.63981 2.90001 -229.98845 904.06907
1750.0000 -239.59287 -228.91794 10.67493 2.88165 -230.38123 920.40221
FREEZING PROCESS: loop number 8 T-loop= 938.00000000000000
main_MD> interactions number 8 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.79229 0.67544 3.40821
force_rgl> df(natom) 5.13860 4.58584 -3.17920
1755.0000 -241.12856 -230.90621 10.22235 2.88117 -230.39154 918.13920
1760.0000 -242.39979 -230.19845 12.20134 2.86694 -230.69608 935.39079
1765.0000 -240.74816 -227.86467 12.88349 2.94280 -229.07262 949.78528
1770.0000 -240.02969 -228.92627 11.10342 2.94874 -228.94559 968.34522
1775.0000 -242.43565 -230.33126 12.10438 2.91560 -229.65468 945.80313
1780.0000 -241.46414 -228.23492 13.22922 2.95747 -228.75876 981.55403
1785.0000 -242.25551 -229.51488 12.74062 2.95340 -228.84589 975.69624
1790.0000 -241.88403 -229.63573 12.24831 2.88646 -230.27828 916.58919
1795.0000 -241.77617 -229.22691 12.54927 2.88145 -230.38567 920.76327
1800.0000 -240.53944 -226.97618 13.56326 3.00518 -227.73764 998.89864
1805.0000 -242.52795 -230.85880 11.66915 2.93637 -229.21023 928.54567
1810.0000 -241.10525 -227.32133 13.78392 2.90891 -229.79793 925.63994
1815.0000 -242.54059 -229.46535 13.07524 2.94752 -228.97168 953.18047
1820.0000 -242.65896 -230.48662 12.17235 2.91065 -229.76075 942.18083
1825.0000 -241.13710 -229.61374 11.52336 2.96521 -228.59299 966.13580
1830.0000 -241.51715 -228.95817 12.55898 2.90303 -229.92369 933.16544
1835.0000 -241.76047 -229.07598 12.68448 2.95453 -228.82172 942.50443
1840.0000 -240.54735 -227.84645 12.70089 2.97171 -228.45392 962.90913
1845.0000 -243.16552 -231.37597 11.78955 2.91849 -229.59284 924.84768
1850.0000 -242.52636 -231.13865 11.38771 2.83543 -231.37051 891.38565
1855.0000 -243.96415 -229.84980 14.11435 2.87224 -230.58277 894.08924
1860.0000 -241.32324 -229.61091 11.71233 2.89745 -230.04321 932.51528
1865.0000 -241.25383 -228.99263 12.26120 2.93824 -229.17020 955.24070
1870.0000 -240.96723 -228.81302 12.15422 2.94571 -229.01045 963.15663
1875.0000 -243.98295 -231.45247 12.53048 2.88583 -230.29177 933.43540
1880.0000 -242.77170 -230.97020 11.80150 2.84787 -231.10416 893.90434
1885.0000 -240.36392 -227.61699 12.74692 2.95125 -228.89174 953.08425
1890.0000 -241.16862 -227.93676 13.23186 3.00865 -227.66348 970.92802
1895.0000 -240.18991 -227.51139 12.67852 3.04829 -226.81521 1018.61576
1900.0000 -241.79337 -229.89375 11.89962 3.02948 -227.21762 993.14838
1905.0000 -240.71850 -229.01984 11.69866 2.90633 -229.85316 915.41839
1910.0000 -242.28296 -230.16999 12.11297 2.90691 -229.84074 913.08522
1915.0000 -241.71038 -229.80393 11.90645 2.93751 -229.18587 961.44477
1920.0000 -241.44941 -229.26106 12.18835 2.94615 -229.00101 961.32747
1925.0000 -240.52281 -226.41660 14.10622 2.95555 -228.79974 959.55476
1930.0000 -239.58996 -228.75281 10.83714 3.00737 -227.69088 984.24276
1935.0000 -240.35964 -229.06559 11.29405 2.97857 -228.30712 975.18514
1940.0000 -242.09563 -230.23236 11.86327 2.93765 -229.18291 965.19414
1945.0000 -239.63456 -229.13178 10.50278 2.88707 -230.26525 928.65133
1950.0000 -239.69503 -227.34921 12.34582 2.99690 -227.91495 995.13974
1955.0000 -241.46240 -229.23242 12.22998 2.98120 -228.25097 982.94251
1960.0000 -243.19767 -231.47373 11.72394 2.90859 -229.80479 926.66342
1965.0000 -241.01630 -230.17299 10.84331 2.86099 -230.82343 912.85709
1970.0000 -243.02781 -231.32788 11.69993 2.87558 -230.51113 897.86287
1975.0000 -243.42568 -232.30836 11.11732 2.80801 -231.95720 861.63486
1980.0000 -242.81096 -231.72137 11.08959 2.84511 -231.16324 898.31290
1985.0000 -241.47190 -231.58091 9.89098 2.87301 -230.56623 910.84120
1990.0000 -239.67227 -227.93412 11.73815 2.87644 -230.49277 912.10997
1995.0000 -241.70957 -230.15758 11.55199 2.94121 -229.10667 937.64893
2000.0000 -240.70158 -230.14947 10.55211 2.91080 -229.75747 919.54077
FREEZING PROCESS: loop number 9 T-loop= 913.00000000000000
main_MD> interactions number 9 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65829 2.53129 -0.18436
force_rgl> df(natom) -0.73922 1.47562 -1.08595
2005.0000 -243.38287 -232.53511 10.84776 2.85246 -231.00591 898.29708
2010.0000 -243.41468 -231.48294 11.93174 2.75257 -233.14368 845.90774
2015.0000 -240.63822 -230.99528 9.64294 2.86555 -230.72591 903.79126
2020.0000 -240.76120 -230.85693 9.90427 2.80883 -231.93977 871.51865
2025.0000 -242.81085 -231.94793 10.86292 2.83814 -231.31243 874.15736
2030.0000 -241.39553 -229.53595 11.85959 2.86553 -230.72637 927.83882
2035.0000 -243.60045 -232.30053 11.29992 2.85039 -231.05024 898.08346
2040.0000 -242.02242 -229.84469 12.17772 2.90938 -229.78796 927.22268
2045.0000 -241.12887 -230.08536 11.04351 2.90464 -229.88940 943.70405
2050.0000 -240.34239 -230.71717 9.62522 2.89652 -230.06312 897.72696
2055.0000 -242.64443 -230.86039 11.78404 2.87498 -230.52410 893.52053
2060.0000 -243.50776 -232.50898 10.99878 2.88024 -230.41143 904.00394
2065.0000 -243.81841 -230.74782 13.07058 2.83627 -231.35239 876.00562
2070.0000 -242.11691 -230.54427 11.57264 2.86084 -230.82673 877.69058
2075.0000 -242.14290 -229.90106 12.24184 2.92594 -229.43344 938.19559
2080.0000 -243.41679 -231.85616 11.56063 2.84663 -231.13084 908.29176
2085.0000 -242.74419 -231.70126 11.04293 2.82002 -231.70013 892.43288
2090.0000 -241.41571 -229.13609 12.27962 2.88963 -230.21052 924.44136
2095.0000 -241.24287 -230.42940 10.81346 2.94096 -229.11199 962.76239
2100.0000 -243.23928 -231.53822 11.70106 2.87153 -230.59799 900.10689
2105.0000 -242.07424 -231.56007 10.51417 2.78902 -232.36369 856.44435
2110.0000 -243.61514 -232.36537 11.24976 2.82266 -231.64367 884.58837
2115.0000 -242.51139 -230.21274 12.29864 2.83639 -231.34995 900.17016
2120.0000 -244.19025 -231.65676 12.53349 2.86894 -230.65322 884.79571
2125.0000 -238.74391 -226.94429 11.79962 2.92010 -229.55848 950.24307
2130.0000 -243.06193 -229.97921 13.08273 2.96689 -228.55707 957.21857
2135.0000 -242.75779 -230.79256 11.96523 2.83458 -231.38856 893.95261
2140.0000 -244.08100 -231.50709 12.57392 2.90462 -229.88982 940.68620
2145.0000 -242.63771 -231.38440 11.25330 2.84629 -231.13802 892.98132
2150.0000 -242.69230 -232.01940 10.67290 2.84017 -231.26898 915.44609
2155.0000 -242.12192 -230.72557 11.39635 2.82440 -231.60642 898.54207
2160.0000 -240.89399 -230.60315 10.29084 2.85088 -231.03988 897.31908
2165.0000 -243.86547 -230.75437 13.11110 2.91545 -229.65798 968.28890
2170.0000 -243.80642 -231.34223 12.46418 2.89298 -230.13885 929.54960
2175.0000 -244.12748 -231.09382 13.03367 2.88671 -230.27312 933.75125
2180.0000 -241.81994 -229.92061 11.89933 2.87890 -230.44021 901.96443
2185.0000 -242.10117 -232.04180 10.05937 2.85877 -230.87101 880.35768
2190.0000 -241.70507 -230.36478 11.34029 2.85914 -230.86308 902.58905
2195.0000 -243.51931 -232.51425 11.00506 2.82193 -231.65932 888.59079
2200.0000 -244.13460 -232.18111 11.95349 2.80127 -232.10155 881.57681
2205.0000 -244.67670 -234.09692 10.57977 2.76121 -232.95884 847.91350
2210.0000 -245.41324 -232.14571 13.26754 2.73234 -233.57653 820.61797
2215.0000 -241.14594 -230.14101 11.00493 2.82856 -231.51739 895.07751
2220.0000 -242.85883 -228.57944 14.27939 2.89720 -230.04844 917.90070
2225.0000 -241.95380 -229.82516 12.12864 2.90430 -229.89651 934.78677
2230.0000 -243.26134 -230.94050 12.32084 2.85863 -230.87398 922.91861
2235.0000 -243.51634 -230.87989 12.63644 2.86749 -230.68434 935.91680
2240.0000 -241.60971 -227.63248 13.97723 2.90401 -229.90291 956.74784
2245.0000 -244.70870 -233.51886 11.18984 2.88038 -230.40848 929.84096
2250.0000 -242.53070 -231.19131 11.33939 2.84186 -231.23285 892.63463
FREEZING PROCESS: loop number 10 T-loop= 888.00000000000000
main_MD> interactions number 10 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.12676 -1.86340 0.33677
force_rgl> df(natom) -3.29689 0.10114 -3.25100
2255.0000 -243.90307 -233.20160 10.70147 2.79858 -232.15904 852.79042
2260.0000 -242.82294 -231.89551 10.92743 2.79493 -232.23707 833.31440
2265.0000 -242.09420 -229.85601 12.23818 2.89478 -230.10030 943.82092
2270.0000 -243.38500 -232.18220 11.20280 2.84031 -231.26594 896.15453
2275.0000 -243.08302 -230.25586 12.82716 2.84054 -231.26119 905.46645
2280.0000 -242.76938 -231.28620 11.48318 2.84232 -231.22290 895.20825
2285.0000 -241.63210 -230.30740 11.32470 2.85098 -231.03775 900.82895
2290.0000 -244.16928 -233.65005 10.51923 2.85021 -231.05416 896.03721
2295.0000 -242.58655 -231.44781 11.13874 2.79806 -232.17010 852.21784
2300.0000 -244.60030 -234.61349 9.98681 2.77173 -232.73373 848.73181
2305.0000 -244.43226 -233.32037 11.11189 2.75061 -233.18570 838.23578
2310.0000 -243.49826 -233.24475 10.25351 2.77568 -232.64910 852.79747
2315.0000 -243.78596 -231.53859 12.24737 2.80697 -231.97946 878.89623
2320.0000 -242.16303 -231.67421 10.48882 2.79211 -232.29742 865.45639
2325.0000 -242.36012 -232.06488 10.29524 2.80685 -231.98206 852.05747
2330.0000 -243.15280 -232.00441 11.14839 2.78932 -232.35729 844.16425
2335.0000 -244.07382 -233.11910 10.95471 2.78076 -232.54030 852.45260
2340.0000 -241.79084 -231.30530 10.48553 2.83088 -231.46773 882.97533
2345.0000 -242.27667 -231.63859 10.63808 2.82520 -231.58947 858.32339
2350.0000 -240.62639 -230.84487 9.78153 2.84480 -231.16989 888.88886
2355.0000 -244.20075 -231.30507 12.89568 2.85116 -231.03384 883.05597
2360.0000 -243.82616 -232.75491 11.07125 2.76974 -232.77635 870.71803
2365.0000 -243.94942 -232.06110 11.88832 2.78519 -232.44564 863.16537
2370.0000 -243.53053 -233.31838 10.21216 2.78563 -232.43629 869.43155
2375.0000 -244.09793 -233.13955 10.95838 2.76733 -232.82792 847.39238
2380.0000 -245.02765 -234.89956 10.12809 2.75064 -233.18490 829.88690
2385.0000 -244.71129 -234.28475 10.42655 2.69369 -234.40372 802.87235
2390.0000 -243.47457 -232.21960 11.25498 2.72316 -233.77305 826.62510
2395.0000 -243.07323 -232.49443 10.57880 2.80189 -232.08819 869.57626
2400.0000 -242.61627 -231.70464 10.91163 2.79390 -232.25913 876.25665
2405.0000 -241.62469 -228.71746 12.90723 2.89660 -230.06138 935.54266
2410.0000 -242.61820 -230.92641 11.69180 2.90159 -229.95469 941.92852
2415.0000 -243.44501 -234.41122 9.03379 2.80459 -232.03042 857.83151
2420.0000 -242.98309 -231.20187 11.78122 2.78125 -232.52995 856.54491
2425.0000 -242.21221 -231.58758 10.62462 2.82815 -231.52627 875.18461
2430.0000 -243.60156 -231.94799 11.65357 2.85533 -230.94453 907.16381
2435.0000 -244.64162 -233.60791 11.03370 2.77938 -232.56984 863.41946
2440.0000 -241.12295 -230.07624 11.04671 2.84135 -231.24371 901.84407
2445.0000 -242.50691 -228.99919 13.50772 2.93472 -229.24561 964.00067
2450.0000 -242.89068 -232.16120 10.72948 2.82954 -231.49659 878.50488
2455.0000 -243.49566 -232.18233 11.31333 2.79477 -232.24053 863.52397
2460.0000 -244.35786 -232.83209 11.52576 2.78658 -232.41579 880.92272
2465.0000 -245.99248 -234.68658 11.30591 2.71905 -233.86110 838.64028
2470.0000 -242.94261 -231.39752 11.54508 2.81591 -231.78820 871.38771
2475.0000 -241.79293 -231.10544 10.68749 2.87110 -230.60702 920.12530
2480.0000 -240.52816 -229.75855 10.76962 2.87757 -230.46864 899.81320
2485.0000 -243.15989 -232.13395 11.02594 2.90450 -229.89224 924.29817
2490.0000 -242.75877 -230.94192 11.81685 2.83484 -231.38309 872.87730
2495.0000 -241.28178 -229.93303 11.34876 2.92705 -229.40979 939.73844
2500.0000 -240.57175 -230.80730 9.76445 2.85446 -230.96312 874.57868
FREEZING PROCESS: loop number 11 T-loop= 863.00000000000000
main_MD> interactions number 11 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09934 3.47559 1.02206
force_rgl> df(natom) -0.29939 -0.69213 3.36382
2505.0000 -243.29728 -230.29436 13.00293 2.85472 -230.95772 899.64426
2510.0000 -242.49192 -231.22641 11.26551 2.85237 -231.00782 907.33573
2515.0000 -244.08186 -232.56700 11.51486 2.79841 -232.16276 856.12492
2520.0000 -243.81733 -233.55850 10.25883 2.73194 -233.58521 832.28629
2525.0000 -242.53871 -232.94081 9.59790 2.79182 -232.30372 870.88721
2530.0000 -244.01109 -233.69386 10.31723 2.71024 -234.04957 841.62877
2535.0000 -243.37534 -234.39417 8.98117 2.71831 -233.87680 828.56982
2540.0000 -243.52290 -233.21428 10.30863 2.72169 -233.80459 827.50779
2545.0000 -243.47276 -233.63211 9.84065 2.72929 -233.64183 842.06213
2550.0000 -242.74597 -231.97058 10.77539 2.73656 -233.48630 817.40877
2555.0000 -243.24201 -232.71960 10.52241 2.80657 -231.98805 891.91323
2560.0000 -240.39420 -229.96721 10.42699 2.84481 -231.16963 900.35497
2565.0000 -244.50167 -233.03952 11.46214 2.81067 -231.90030 864.12182
2570.0000 -243.98190 -234.29883 9.68307 2.75469 -233.09827 812.61150
2575.0000 -243.36684 -234.10972 9.25713 2.69368 -234.40405 825.31288
2580.0000 -242.01746 -231.32572 10.69174 2.77267 -232.71355 867.61197
2585.0000 -241.82778 -231.91375 9.91404 2.77976 -232.56185 852.20596
2590.0000 -242.80547 -232.94703 9.85844 2.79925 -232.14478 849.47317
2595.0000 -244.66336 -232.89230 11.77105 2.77138 -232.74120 837.11750
2600.0000 -244.72112 -232.45933 12.26179 2.79382 -232.26091 874.12646
2605.0000 -243.85852 -233.71891 10.13961 2.73649 -233.48783 830.54310
2610.0000 -243.23804 -231.85675 11.38129 2.73260 -233.57109 830.07304
2615.0000 -243.40379 -231.62778 11.77600 2.80995 -231.91582 890.74876
2620.0000 -244.15732 -233.08683 11.07049 2.85454 -230.96142 896.87533
2625.0000 -244.55314 -233.29571 11.25743 2.73790 -233.45756 849.84143
2630.0000 -244.92862 -233.65851 11.27011 2.72182 -233.80176 848.06695
2635.0000 -243.36213 -232.47752 10.88461 2.72689 -233.69336 834.77939
2640.0000 -245.13527 -233.34161 11.79366 2.74203 -233.36934 822.98545
2645.0000 -244.56529 -233.21841 11.34688 2.70823 -234.09258 830.01179
2650.0000 -243.53623 -234.15291 9.38332 2.70994 -234.05591 805.54198
2655.0000 -243.48864 -231.94527 11.54338 2.73237 -233.57594 846.93917
2660.0000 -242.98805 -232.89335 10.09470 2.75203 -233.15535 848.88904
2665.0000 -244.54618 -232.00985 12.53634 2.79401 -232.25689 877.62616
2670.0000 -243.81367 -232.39305 11.42063 2.78810 -232.38333 874.61557
2675.0000 -243.04333 -232.28567 10.75766 2.79711 -232.19051 853.97107
2680.0000 -243.57799 -232.10528 11.47271 2.79784 -232.17489 874.42064
2685.0000 -243.71308 -233.23998 10.47310 2.78200 -232.51391 862.51954
2690.0000 -242.90431 -231.89904 11.00527 2.78657 -232.41613 860.50457
2695.0000 -240.55637 -230.31429 10.24208 2.85462 -230.95984 907.14299
2700.0000 -243.60242 -231.20227 12.40015 2.83989 -231.27490 898.64099
2705.0000 -242.04977 -230.10934 11.94043 2.88335 -230.34503 935.13144
2710.0000 -245.78291 -233.79074 11.99217 2.80925 -231.93071 875.84222
2715.0000 -242.75680 -231.64888 11.10792 2.75461 -233.10006 847.92149
2720.0000 -242.54403 -231.51011 11.03392 2.84920 -231.07578 907.99118
2725.0000 -242.88684 -231.84872 11.03812 2.80957 -231.92394 881.67225
2730.0000 -243.82866 -231.65809 12.17057 2.82176 -231.66303 876.78771
2735.0000 -241.07709 -230.28855 10.78854 2.83617 -231.35456 886.26679
2740.0000 -242.90406 -231.66427 11.23979 2.86584 -230.71974 903.89388
2745.0000 -243.63117 -232.74284 10.88832 2.79349 -232.26797 888.84394
2750.0000 -242.04340 -231.93302 10.11038 2.76990 -232.77292 832.89777
FREEZING PROCESS: loop number 12 T-loop= 838.00000000000000
main_MD> interactions number 12 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33085 -0.64829 -2.81397
force_rgl> df(natom) -0.20309 -0.42239 -0.46217
2755.0000 -243.19812 -231.45454 11.74358 2.82666 -231.55809 871.67393
2760.0000 -240.62748 -231.28865 9.33882 2.84565 -231.15174 883.33841
2765.0000 -242.09182 -231.90704 10.18477 2.80798 -231.95788 892.72134
2770.0000 -243.54526 -234.40523 9.14003 2.73895 -233.43518 844.91223
2775.0000 -245.15615 -235.53551 9.62064 2.64216 -235.50661 768.57197
2780.0000 -242.82338 -232.17676 10.64662 2.73356 -233.55059 823.63535
2785.0000 -244.22664 -233.84865 10.37799 2.83118 -231.46145 892.90558
2790.0000 -244.37157 -233.77877 10.59280 2.74623 -233.27932 835.98319
2795.0000 -243.54837 -232.51011 11.03826 2.78174 -232.51941 854.20639
2800.0000 -242.97830 -231.95096 11.02734 2.82470 -231.59999 884.65484
2805.0000 -242.63065 -231.95649 10.67416 2.80145 -232.09760 865.67069
2810.0000 -245.03884 -234.84788 10.19096 2.76834 -232.80627 839.23004
2815.0000 -243.77689 -233.44296 10.33394 2.71322 -233.98572 808.68782
2820.0000 -243.39698 -231.92696 11.47002 2.81194 -231.87308 867.60629
2825.0000 -243.99075 -232.76132 11.22944 2.81063 -231.90118 880.95961
2830.0000 -243.59071 -232.46358 11.12714 2.76234 -232.93460 832.18765
2835.0000 -241.54577 -232.21569 9.33008 2.80127 -232.10150 866.14235
2840.0000 -241.89563 -232.23499 9.66064 2.75203 -233.15522 834.16782
2845.0000 -242.12872 -232.64276 9.48596 2.78987 -232.34543 859.66811
2850.0000 -243.63839 -233.10664 10.53174 2.77578 -232.64706 848.23055
2855.0000 -242.54300 -231.85784 10.68515 2.78257 -232.50165 846.31579
2860.0000 -244.19867 -233.96108 10.23759 2.79952 -232.13887 863.81776
2865.0000 -243.20888 -232.64305 10.56583 2.77149 -232.73878 853.54511
2870.0000 -244.74601 -234.23123 10.51478 2.72710 -233.68878 837.42373
2875.0000 -243.37971 -233.00898 10.37073 2.72654 -233.70082 825.33157
2880.0000 -245.51373 -234.52716 10.98658 2.75261 -233.14279 844.03079
2885.0000 -245.07730 -236.06831 9.00898 2.61573 -236.07210 772.18470
2890.0000 -243.98899 -233.60056 10.38843 2.67144 -234.87995 801.10852
2895.0000 -243.71419 -233.87789 9.83630 2.70783 -234.10105 830.47092
2900.0000 -243.74731 -233.18049 10.56682 2.76944 -232.78263 852.03621
2905.0000 -243.27405 -232.92173 10.35232 2.70461 -234.17011 812.96950
2910.0000 -243.03687 -231.73492 11.30195 2.79282 -232.28230 858.32390
2915.0000 -243.75944 -231.83635 11.92310 2.79545 -232.22597 859.87232
2920.0000 -243.00534 -233.64130 9.36404 2.75461 -233.09994 846.83668
2925.0000 -242.88165 -233.04505 9.83660 2.74934 -233.21288 838.63196
2930.0000 -242.46546 -231.53305 10.93241 2.82804 -231.52851 865.34878
2935.0000 -243.54745 -232.81500 10.73246 2.83907 -231.29260 901.51874
2940.0000 -243.18193 -232.78632 10.39561 2.79124 -232.31610 873.00510
2945.0000 -243.78459 -231.33188 12.45271 2.78030 -232.55017 860.11750
2950.0000 -243.82937 -232.20301 11.62635 2.80983 -231.91834 897.28381
2955.0000 -244.08888 -231.65580 12.43309 2.82414 -231.61208 881.94867
2960.0000 -243.83129 -234.64716 9.18413 2.79944 -232.14063 878.75404
2965.0000 -244.95178 -234.96577 9.98601 2.69257 -234.42767 816.87025
2970.0000 -242.88631 -232.99918 9.88713 2.73745 -233.46718 833.07430
2975.0000 -242.91351 -232.58411 10.32940 2.78624 -232.42315 844.61984
2980.0000 -244.08295 -232.78440 11.29855 2.76039 -232.97633 863.32447
2985.0000 -245.66713 -234.13326 11.53387 2.74675 -233.26828 853.78293
2990.0000 -243.85443 -232.77607 11.07836 2.72234 -233.79070 814.28753
2995.0000 -243.93681 -234.83516 9.10165 2.74678 -233.26763 805.59236
3000.0000 -245.70278 -236.78138 8.92140 2.66048 -235.11447 771.82311
FREEZING PROCESS: loop number 13 T-loop= 813.00000000000000
main_MD> interactions number 13 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.48332 -3.33773 -1.39407
force_rgl> df(natom) -2.54193 2.22267 0.51746
3005.0000 -243.94301 -233.94959 9.99341 2.67095 -234.89034 782.05484
3010.0000 -245.36947 -234.49116 10.87832 2.76175 -232.94725 843.88357
3015.0000 -246.29750 -237.00229 9.29521 2.65498 -235.23225 803.15188
3020.0000 -247.82059 -236.87844 10.94216 2.60165 -236.37342 752.54171
3025.0000 -244.11860 -234.14122 9.97739 2.66804 -234.95272 791.54307
3030.0000 -243.05553 -232.53274 10.52279 2.72817 -233.66588 820.74254
3035.0000 -243.70053 -233.69288 10.00766 2.73851 -233.44450 833.29146
3040.0000 -244.31542 -233.29515 11.02028 2.73663 -233.48488 835.77572
3045.0000 -244.19377 -234.07041 10.12335 2.73771 -233.46171 837.75732
3050.0000 -246.51048 -236.13200 10.37849 2.63506 -235.65855 759.63965
3055.0000 -247.39859 -237.68814 9.71044 2.57867 -236.86530 736.05781
3060.0000 -243.98804 -235.25150 8.73654 2.58679 -236.69156 741.09485
3065.0000 -244.12513 -234.24343 9.88170 2.62107 -235.95776 757.03045
3070.0000 -244.34822 -232.70372 11.64449 2.74386 -233.32999 822.96496
3075.0000 -244.63678 -235.32235 9.31444 2.71902 -233.86158 801.13860
3080.0000 -245.64993 -235.97955 9.67038 2.64378 -235.47182 780.40695
3085.0000 -246.27976 -236.25764 10.02212 2.63987 -235.55550 798.23282
3090.0000 -244.43610 -234.24078 10.19532 2.66393 -235.04053 799.45682
3095.0000 -244.50721 -233.11616 11.39106 2.71355 -233.97866 791.67143
3100.0000 -242.70201 -232.02337 10.67864 2.77147 -232.73920 838.42268
3105.0000 -243.76008 -232.67629 11.08379 2.81941 -231.71328 866.24138
3110.0000 -245.10344 -234.35684 10.74660 2.72226 -233.79237 807.87408
3115.0000 -244.20242 -233.49491 10.70750 2.67758 -234.74845 789.59812
3120.0000 -244.37391 -233.46988 10.90403 2.76244 -232.93249 836.84140
3125.0000 -244.77295 -235.52521 9.24774 2.69641 -234.34547 805.14870
3130.0000 -245.10764 -232.73203 12.37560 2.74347 -233.33854 841.20638
3135.0000 -246.49040 -235.37090 11.11950 2.67611 -234.77995 795.55359
3140.0000 -244.65136 -234.73161 9.91975 2.64604 -235.42342 778.28710
3145.0000 -245.53171 -234.91474 10.61697 2.70701 -234.11867 799.14064
3150.0000 -244.49049 -233.58747 10.90302 2.67789 -234.74184 790.66796
3155.0000 -245.55316 -236.07692 9.47624 2.65788 -235.17004 799.47714
3160.0000 -242.24942 -232.20480 10.04463 2.73747 -233.46688 825.24680
3165.0000 -244.20812 -234.34198 9.86615 2.77405 -232.68403 855.69843
3170.0000 -243.51087 -232.79383 10.71704 2.70290 -234.20669 815.71720
3175.0000 -246.12917 -235.78395 10.34522 2.69916 -234.28662 821.44797
3180.0000 -244.27643 -234.68521 9.59121 2.66946 -234.92235 795.98782
3185.0000 -245.13054 -233.70080 11.42974 2.73747 -233.46687 826.20913
3190.0000 -245.06170 -235.16201 9.89970 2.70717 -234.11521 802.32583
3195.0000 -244.13309 -235.35433 8.77876 2.64314 -235.48553 755.88406
3200.0000 -244.10892 -235.06068 9.04824 2.65081 -235.32150 760.61191
3205.0000 -244.04503 -234.84300 9.20204 2.67537 -234.79579 780.06699
3210.0000 -246.16516 -236.82692 9.33825 2.61776 -236.02862 763.00491
3215.0000 -244.17913 -235.32097 8.85816 2.64404 -235.46632 792.62561
3220.0000 -243.86814 -234.31224 9.55590 2.67758 -234.74845 796.25730
3225.0000 -245.26393 -233.32055 11.94338 2.75209 -233.15394 845.26546
3230.0000 -242.33075 -232.49133 9.83943 2.79672 -232.19882 855.73007
3235.0000 -243.89981 -232.76483 11.13498 2.77204 -232.72702 838.97962
3240.0000 -245.53359 -233.70682 11.82677 2.75040 -233.19016 832.88649
3245.0000 -244.98960 -235.09417 9.89544 2.69665 -234.34049 802.04171
3250.0000 -247.00313 -236.54912 10.45401 2.63198 -235.72437 759.28079
FREEZING PROCESS: loop number 14 T-loop= 788.00000000000000
main_MD> interactions number 14 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29420 -0.57251 0.18956
force_rgl> df(natom) -0.59991 0.76629 -0.59033
3255.0000 -245.68697 -235.89896 9.78801 2.60739 -236.25050 756.59132
3260.0000 -246.80492 -237.09879 9.70613 2.59661 -236.48124 743.16309
3265.0000 -247.70091 -236.87668 10.82423 2.55878 -237.29095 744.13548
3270.0000 -245.13342 -236.45157 8.68185 2.59174 -236.58554 767.84492
3275.0000 -245.21447 -236.02350 9.19098 2.65505 -235.23057 792.74282
3280.0000 -244.38642 -233.83811 10.54830 2.72644 -233.70287 827.07070
3285.0000 -246.11304 -235.82535 10.28769 2.67493 -234.80532 757.92129
3290.0000 -246.53996 -235.82100 10.71896 2.62900 -235.78812 764.04598
3295.0000 -244.91952 -234.70618 10.21334 2.61113 -236.17064 767.41072
3300.0000 -246.90214 -236.30477 10.59737 2.65451 -235.24212 794.29099
3305.0000 -245.84035 -237.15792 8.68243 2.59038 -236.61465 758.55837
3310.0000 -246.46477 -237.64129 8.82348 2.54604 -237.56357 738.40674
3315.0000 -243.24736 -233.65156 9.59580 2.60040 -236.40012 749.44020
3320.0000 -243.70681 -232.43109 11.27572 2.76291 -232.92236 823.15160
3325.0000 -243.38594 -232.82676 10.55918 2.77667 -232.62801 863.43666
3330.0000 -244.02760 -233.16248 10.86512 2.77426 -232.67952 865.12696
3335.0000 -244.33808 -234.94348 9.39460 2.69287 -234.42128 799.27725
3340.0000 -245.69224 -235.69870 9.99354 2.63704 -235.61608 754.83989
3345.0000 -244.93049 -234.56944 10.36104 2.66362 -235.04726 789.03307
3350.0000 -244.00429 -234.13815 9.86613 2.67996 -234.69748 792.08074
3355.0000 -244.21201 -233.01275 11.19926 2.73709 -233.47487 847.72065
3360.0000 -243.57645 -233.72045 9.85600 2.76537 -232.86976 838.93891
3365.0000 -243.85337 -234.13635 9.71701 2.72381 -233.75927 815.37576
3370.0000 -245.66017 -237.26265 8.39752 2.69438 -234.38904 803.00460
3375.0000 -247.34798 -237.76801 9.57997 2.53871 -237.72041 702.59508
3380.0000 -245.71259 -236.61249 9.10009 2.58816 -236.66218 741.92240
3385.0000 -246.41943 -235.80497 10.61447 2.59791 -236.45357 736.46224
3390.0000 -244.51060 -234.13231 10.37830 2.64140 -235.52278 771.15413
3395.0000 -244.74950 -235.09777 9.65173 2.70353 -234.19308 804.61935
3400.0000 -244.15099 -235.10102 9.04997 2.67638 -234.77424 780.33476
3405.0000 -245.04915 -236.32127 8.72788 2.64539 -235.43744 770.01805
3410.0000 -243.43430 -231.42890 12.00540 2.71418 -233.96518 829.35877
3415.0000 -245.51775 -236.63318 8.88458 2.73676 -233.48210 838.82985
3420.0000 -245.24855 -235.12582 10.12273 2.59624 -236.48916 754.35760
3425.0000 -244.49528 -234.74227 9.75301 2.64329 -235.48228 768.37096
3430.0000 -243.70720 -233.27678 10.43042 2.72844 -233.66002 852.96536
3435.0000 -243.99998 -234.05256 9.94742 2.76293 -232.92207 851.55874
3440.0000 -244.51711 -233.54423 10.97287 2.70397 -234.18373 830.44985
3445.0000 -244.74157 -233.26630 11.47526 2.72523 -233.72877 811.65982
3450.0000 -243.86551 -232.63228 11.23324 2.72003 -233.84014 825.22816
3455.0000 -244.94040 -233.40623 11.53416 2.77845 -232.58976 869.04075
3460.0000 -245.21732 -234.83944 10.37788 2.72673 -233.69664 817.17200
3465.0000 -245.46522 -235.32426 10.14096 2.65643 -235.20105 783.64640
3470.0000 -245.24518 -235.86718 9.37800 2.61870 -236.00852 767.63349
3475.0000 -245.62794 -235.27683 10.35111 2.62880 -235.79232 767.41325
3480.0000 -245.44593 -235.04171 10.40423 2.66251 -235.07099 796.15250
3485.0000 -245.57410 -235.51103 10.06307 2.65600 -235.21024 777.42965
3490.0000 -244.28045 -232.97950 11.30095 2.70556 -234.14979 798.72571
3495.0000 -246.30323 -235.31756 10.98567 2.67522 -234.79899 768.17820
3500.0000 -244.76455 -235.05608 9.70847 2.59980 -236.41307 749.01851
FREEZING PROCESS: loop number 15 T-loop= 763.00000000000000
main_MD> interactions number 15 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.51923 -0.41065 1.99359
force_rgl> df(natom) 0.92523 0.92232 3.27753
3505.0000 -245.07050 -235.54209 9.52841 2.64611 -235.42195 756.91000
3510.0000 -245.40675 -235.52952 9.87722 2.64181 -235.51396 762.08821
3515.0000 -243.90996 -234.25757 9.65238 2.68035 -234.68923 799.45919
3520.0000 -244.09464 -234.40916 9.68548 2.74056 -233.40066 804.62785
3525.0000 -244.55806 -235.36516 9.19290 2.67568 -234.78916 775.06903
3530.0000 -245.71460 -234.97612 10.73848 2.67809 -234.73755 795.04673
3535.0000 -245.44540 -235.74874 9.69666 2.62839 -235.80123 750.50350
3540.0000 -246.72727 -236.90535 9.82192 2.60951 -236.20529 744.64975
3545.0000 -246.82081 -237.35222 9.46858 2.55882 -237.29012 720.12473
3550.0000 -247.15386 -238.25582 8.89805 2.55120 -237.45321 716.04753
3555.0000 -246.43780 -237.00662 9.43117 2.57976 -236.84181 762.74723
3560.0000 -245.73788 -236.01257 9.72532 2.60521 -236.29732 785.32501
3565.0000 -245.80432 -236.68666 9.11766 2.65380 -235.25750 789.83754
3570.0000 -246.72765 -237.19102 9.53663 2.55185 -237.43929 720.44850
3575.0000 -245.09419 -235.85616 9.23803 2.57917 -236.85447 724.56078
3580.0000 -244.77390 -233.61402 11.15988 2.68801 -234.52530 790.55777
3585.0000 -244.60161 -235.21506 9.38655 2.67779 -234.74411 782.49362
3590.0000 -246.41218 -236.18806 10.22412 2.63712 -235.61443 796.02442
3595.0000 -246.81802 -237.38507 9.43295 2.58716 -236.68354 748.55701
3600.0000 -246.12056 -235.61893 10.50163 2.58453 -236.73988 771.41955
3605.0000 -245.23404 -235.27440 9.95964 2.63281 -235.70653 771.16122
3610.0000 -245.90473 -235.58569 10.31905 2.62802 -235.80919 743.01741
3615.0000 -246.67245 -236.85839 9.81407 2.61963 -235.98860 750.23479
3620.0000 -245.38417 -235.24716 10.13701 2.60114 -236.38445 750.81603
3625.0000 -245.38462 -236.62031 8.76431 2.62087 -235.96205 753.66916
3630.0000 -246.24357 -235.79192 10.45165 2.64876 -235.36521 790.16291
3635.0000 -245.25801 -236.62773 8.63028 2.63612 -235.63575 766.26569
3640.0000 -244.49124 -234.77575 9.71549 2.62819 -235.80543 765.05860
3645.0000 -245.71674 -236.37474 9.34201 2.70800 -234.09748 814.18540
3650.0000 -245.85610 -236.68183 9.17427 2.57215 -237.00470 730.84695
3655.0000 -246.48505 -236.78381 9.70124 2.65593 -235.21181 803.46121
3660.0000 -246.81296 -237.68243 9.13053 2.57490 -236.94597 745.96730
3665.0000 -245.03090 -236.34630 8.68461 2.59961 -236.41708 739.06143
3670.0000 -245.08778 -235.43628 9.65151 2.64806 -235.38028 753.07589
3675.0000 -245.24371 -235.18257 10.06114 2.63747 -235.60679 767.15903
3680.0000 -245.69258 -234.29224 11.40034 2.70173 -234.23171 829.33677
3685.0000 -246.67219 -237.97631 8.69588 2.57305 -236.98553 726.45108
3690.0000 -247.75803 -238.49729 9.26074 2.49771 -238.59782 701.32370
3695.0000 -246.13122 -236.82855 9.30268 2.55059 -237.46612 744.72121
3700.0000 -246.68472 -237.81524 8.86948 2.55074 -237.46298 741.66727
3705.0000 -246.23230 -237.16218 9.07012 2.58679 -236.69156 756.26806
3710.0000 -244.83020 -235.05945 9.77075 2.61955 -235.99038 774.06704
3715.0000 -244.01207 -234.45490 9.55717 2.64894 -235.36134 770.22195
3720.0000 -246.15642 -235.10586 11.05056 2.67070 -234.89582 796.04388
3725.0000 -245.76341 -235.54048 10.22293 2.64643 -235.41507 762.81848
3730.0000 -245.64190 -234.42277 11.21913 2.66964 -234.91836 772.09402
3735.0000 -243.36578 -234.16554 9.20023 2.68703 -234.54619 810.38853
3740.0000 -244.64642 -234.46653 10.17990 2.68413 -234.60832 790.63327
3745.0000 -245.65118 -235.53474 10.11644 2.67082 -234.89316 794.88590
3750.0000 -245.85404 -235.23540 10.61864 2.62043 -235.97159 769.47855
FREEZING PROCESS: loop number 16 T-loop= 738.00000000000000
main_MD> interactions number 16 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56425 -0.43088 0.66713
force_rgl> df(natom) -2.64600 -2.86137 1.05012
3755.0000 -245.89936 -236.06807 9.83129 2.59608 -236.49256 751.98054
3760.0000 -245.12625 -236.60735 8.51890 2.63037 -235.75885 761.51825
3765.0000 -247.31589 -237.35200 9.96390 2.61615 -236.06311 774.87551
3770.0000 -246.21229 -237.84373 8.36856 2.54557 -237.57354 705.69480
3775.0000 -246.83640 -237.37377 9.46263 2.56335 -237.19307 712.35410
3780.0000 -246.73544 -237.94839 8.78706 2.51898 -238.14265 713.19221
3785.0000 -247.25562 -238.21796 9.03767 2.50601 -238.42026 708.64352
3790.0000 -246.91878 -236.76587 10.15292 2.53271 -237.84876 714.63056
3795.0000 -247.13498 -235.81524 11.31974 2.61165 -236.15943 770.31112
3800.0000 -246.93978 -236.83451 10.10528 2.62596 -235.85316 801.60237
3805.0000 -247.75051 -238.90682 8.84370 2.54717 -237.53932 728.11523
3810.0000 -247.80469 -239.28073 8.52396 2.49857 -238.57936 712.55133
3815.0000 -248.74690 -238.69629 10.05062 2.48250 -238.92330 675.50899
3820.0000 -245.42895 -236.69884 8.73011 2.54399 -237.60742 729.23985
3825.0000 -246.52827 -236.82445 9.70382 2.53864 -237.72196 725.46805
3830.0000 -245.01398 -236.35005 8.66393 2.57848 -236.86934 734.91353
3835.0000 -245.67941 -236.40749 9.27192 2.59771 -236.45770 737.35732
3840.0000 -246.44461 -237.26777 9.17683 2.57139 -237.02111 732.42400
3845.0000 -245.72956 -236.58234 9.14722 2.52973 -237.91261 705.78538
3850.0000 -246.74815 -237.12257 9.62557 2.58936 -236.63653 725.50175
3855.0000 -246.87629 -236.78826 10.08803 2.58409 -236.74918 741.14039
3860.0000 -247.23156 -238.50324 8.72832 2.54888 -237.50284 706.84297
3865.0000 -247.38036 -239.25102 8.12934 2.49199 -238.72013 679.10884
3870.0000 -248.51724 -239.35231 9.16492 2.44118 -239.80754 659.51745
3875.0000 -246.96005 -238.08644 8.87362 2.48695 -238.82809 707.30718
3880.0000 -245.33896 -236.28669 9.05227 2.57678 -236.90578 741.70005
3885.0000 -245.90761 -236.28357 9.62404 2.57742 -236.89192 740.19857
3890.0000 -247.15439 -238.02007 9.13432 2.56109 -237.24149 735.01824
3895.0000 -245.71781 -237.49354 8.22427 2.53369 -237.82780 715.90399
3900.0000 -248.14363 -238.02221 10.12142 2.52458 -238.02272 706.46145
3905.0000 -244.47700 -236.44087 8.03613 2.55865 -237.29371 726.96540
3910.0000 -246.84510 -237.65353 9.19157 2.56101 -237.24311 702.15441
3915.0000 -246.31351 -236.58577 9.72774 2.57979 -236.84121 724.52738
3920.0000 -245.83237 -237.14804 8.68432 2.60612 -236.27781 756.07808
3925.0000 -245.30945 -236.31930 8.99016 2.56290 -237.20266 721.99767
3930.0000 -246.46798 -235.90824 10.55974 2.60218 -236.36203 744.52921
3935.0000 -246.56875 -236.94469 9.62406 2.62996 -235.76764 750.59645
3940.0000 -244.86357 -235.76392 9.09964 2.55730 -237.32254 700.55453
3945.0000 -246.53516 -236.16693 10.36823 2.61543 -236.07864 750.86891
3950.0000 -246.58002 -237.71790 8.86212 2.58505 -236.72868 737.95026
3955.0000 -245.87685 -237.38785 8.48901 2.50892 -238.35783 697.28706
3960.0000 -247.93551 -239.38991 8.54560 2.49067 -238.74838 682.34196
3965.0000 -246.03244 -237.15609 8.87635 2.49701 -238.61278 672.39332
3970.0000 -246.45072 -237.33712 9.11360 2.55375 -237.39854 713.18637
3975.0000 -247.31578 -237.76506 9.55073 2.55843 -237.29837 728.09223
3980.0000 -244.73822 -235.57752 9.16071 2.61020 -236.19041 761.32290
3985.0000 -244.87692 -234.47959 10.39733 2.65594 -235.21170 774.93329
3990.0000 -245.68062 -235.34053 10.34009 2.68466 -234.59704 802.52904
3995.0000 -245.02573 -235.27924 9.74650 2.63178 -235.72864 782.41955
4000.0000 -244.46621 -234.55595 9.91026 2.60841 -236.22878 762.27390
FREEZING PROCESS: loop number 17 T-loop= 713.00000000000000
main_MD> interactions number 17 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.56457 3.68882 1.81918
force_rgl> df(natom) 0.66045 1.49820 0.66478
4005.0000 -245.03265 -235.19138 9.84126 2.67084 -234.89277 793.46072
4010.0000 -246.38291 -236.83776 9.54516 2.61755 -236.03318 745.35366
4015.0000 -246.34662 -236.70769 9.63893 2.53987 -237.69549 725.41090
4020.0000 -245.71866 -236.27262 9.44604 2.59690 -236.47500 742.85777
4025.0000 -246.76043 -237.05512 9.70531 2.61586 -236.06929 743.01546
4030.0000 -245.75899 -236.81371 8.94528 2.57566 -236.92970 757.24415
4035.0000 -247.49856 -238.39611 9.10245 2.57649 -236.91187 754.30312
4040.0000 -247.70857 -237.89911 9.80946 2.57078 -237.03407 731.68295
4045.0000 -247.51967 -239.08092 8.43875 2.53381 -237.82528 688.82636
4050.0000 -246.97458 -236.86935 10.10523 2.53568 -237.78530 700.22155
4055.0000 -247.50855 -236.77564 10.73291 2.53501 -237.79968 703.81477
4060.0000 -247.29646 -238.49193 8.80453 2.55608 -237.34863 726.13337
4065.0000 -248.44130 -238.18297 10.25832 2.52287 -238.05942 731.12117
4070.0000 -247.26634 -236.71733 10.54901 2.52615 -237.98918 704.94257
4075.0000 -247.36868 -237.47640 9.89228 2.53690 -237.75909 720.81756
4080.0000 -246.64124 -238.85028 7.79095 2.52781 -237.95373 708.30925
4085.0000 -247.25419 -237.63092 9.62327 2.54122 -237.66662 713.52960
4090.0000 -245.97664 -236.58421 9.39243 2.55372 -237.39927 729.95899
4095.0000 -246.53912 -237.65188 8.88725 2.57707 -236.89948 710.76346
4100.0000 -245.62767 -237.28295 8.34472 2.55083 -237.46100 701.36409
4105.0000 -248.21113 -238.75459 9.45655 2.53542 -237.79091 713.78182
4110.0000 -246.31806 -236.96243 9.35563 2.52379 -238.03976 726.33019
4115.0000 -247.02286 -236.01852 11.00435 2.56780 -237.09776 709.11862
4120.0000 -245.11413 -234.19718 10.91695 2.63299 -235.70282 764.61288
4125.0000 -246.21597 -234.75351 11.46246 2.65380 -235.25742 791.84874
4130.0000 -247.31444 -238.27826 9.03618 2.61396 -236.10997 757.02976
4135.0000 -249.18453 -239.88643 9.29810 2.51830 -238.15710 717.03440
4140.0000 -247.56923 -239.72889 7.84034 2.46976 -239.19601 684.02171
4145.0000 -247.56469 -238.71689 8.84779 2.47893 -238.99966 690.89295
4150.0000 -246.27506 -236.57596 9.69910 2.55044 -237.46939 719.73312
4155.0000 -245.26684 -236.08245 9.18440 2.58721 -236.68245 743.07302
4160.0000 -248.04343 -238.69219 9.35124 2.56699 -237.11526 744.62152
4165.0000 -247.15494 -238.63631 8.51863 2.52124 -238.09429 699.44208
4170.0000 -247.13657 -238.50980 8.62677 2.49978 -238.55353 706.98182
4175.0000 -246.98987 -237.63249 9.35738 2.54286 -237.63149 706.49819
4180.0000 -246.65559 -237.10415 9.55144 2.54403 -237.60644 696.12469
4185.0000 -248.40618 -239.65298 8.75320 2.52930 -237.92183 701.07235
4190.0000 -248.50349 -239.96085 8.54264 2.48821 -238.80119 687.23844
4195.0000 -246.70306 -237.27693 9.42613 2.53056 -237.89480 716.29022
4200.0000 -246.87295 -239.04773 7.82522 2.51966 -238.12805 686.66143
4205.0000 -246.20383 -238.62606 7.57777 2.48255 -238.92223 669.48272
4210.0000 -245.18842 -235.52665 9.66177 2.56705 -237.11382 724.75304
4215.0000 -246.72908 -236.64563 10.08345 2.63043 -235.75745 757.13990
4220.0000 -247.04105 -236.90365 10.13741 2.59566 -236.50154 748.56379
4225.0000 -246.39423 -237.15290 9.24132 2.57846 -236.86968 723.59132
4230.0000 -247.49930 -237.39539 10.10392 2.54485 -237.58889 726.92027
4235.0000 -246.48300 -236.26559 10.21742 2.57153 -237.01809 732.88206
4240.0000 -248.09844 -238.62789 9.47056 2.56715 -237.11176 728.66184
4245.0000 -247.43681 -238.70051 8.73629 2.48154 -238.94396 681.22669
4250.0000 -248.77379 -240.30257 8.47122 2.44884 -239.64373 680.52952
FREEZING PROCESS: loop number 18 T-loop= 688.00000000000000
main_MD> interactions number 18 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44950 -1.32714 -1.32355
force_rgl> df(natom) 1.23946 0.85261 -2.97179
4255.0000 -248.23941 -239.11914 9.12027 2.47133 -239.16241 676.33432
4260.0000 -245.71475 -236.80225 8.91250 2.52016 -238.11748 708.57720
4265.0000 -248.49475 -238.13297 10.36178 2.57263 -236.99459 734.67193
4270.0000 -247.63993 -237.77311 9.86682 2.54001 -237.69250 732.41107
4275.0000 -248.64057 -239.08350 9.55708 2.52301 -238.05631 709.23568
4280.0000 -246.80836 -239.55720 7.25116 2.47915 -238.99499 674.91424
4285.0000 -245.40950 -236.50318 8.90633 2.53182 -237.86775 711.39118
4290.0000 -246.51606 -237.17628 9.33978 2.58418 -236.74737 738.69703
4295.0000 -246.68843 -237.50972 9.17872 2.57820 -236.87539 738.26687
4300.0000 -247.51873 -238.11691 9.40182 2.53735 -237.74949 713.78079
4305.0000 -247.18245 -238.18347 8.99898 2.52267 -238.06358 710.01839
4310.0000 -246.47622 -237.34418 9.13204 2.52070 -238.10582 703.20136
4315.0000 -248.71057 -240.28295 8.42762 2.50809 -238.37563 701.21568
4320.0000 -247.30182 -239.89982 7.40200 2.42035 -240.25334 633.80750
4325.0000 -247.21149 -237.60631 9.60518 2.48775 -238.81089 669.04736
4330.0000 -248.58440 -239.88635 8.69805 2.46743 -239.24572 664.93346
4335.0000 -247.15217 -239.16732 7.98485 2.42954 -240.05675 644.95276
4340.0000 -248.63169 -240.49765 8.13405 2.46641 -239.26770 673.87372
4345.0000 -248.11659 -238.41479 9.70180 2.47958 -238.98582 689.63343
4350.0000 -246.93649 -237.64814 9.28835 2.51667 -238.19212 727.06398
4355.0000 -245.72338 -236.26915 9.45422 2.55424 -237.38797 726.15123
4360.0000 -247.24677 -237.03126 10.21551 2.52940 -237.91971 720.93159
4365.0000 -247.01661 -237.61933 9.39729 2.55773 -237.31338 706.47269
4370.0000 -245.17006 -236.15033 9.01973 2.54515 -237.58249 697.70073
4375.0000 -245.98877 -236.06554 9.92322 2.61915 -235.99892 756.95630
4380.0000 -247.19776 -238.15596 9.04180 2.55550 -237.36118 715.89522
4385.0000 -247.03529 -238.67049 8.36480 2.52621 -237.98800 714.16919
4390.0000 -246.12539 -237.40565 8.71974 2.52399 -238.03551 712.56237
4395.0000 -246.16637 -237.46425 8.70212 2.53378 -237.82597 716.03928
4400.0000 -246.08072 -236.67990 9.40082 2.56659 -237.12370 726.09865
4405.0000 -245.44391 -236.89541 8.54851 2.61862 -236.01022 771.46881
4410.0000 -246.54948 -237.37868 9.17080 2.56907 -237.07070 724.57431
4415.0000 -247.67107 -237.45614 10.21493 2.55039 -237.47042 730.13193
4420.0000 -246.62839 -237.86791 8.76048 2.50642 -238.41134 689.34178
4425.0000 -246.18068 -236.99585 9.18483 2.56685 -237.11808 742.77886
4430.0000 -247.64612 -237.72697 9.91916 2.54551 -237.57487 709.19829
4435.0000 -247.88864 -238.65931 9.22933 2.55905 -237.28501 730.77969
4440.0000 -247.05384 -239.56667 7.48716 2.51647 -238.19632 689.25696
4445.0000 -247.37763 -239.01830 8.35934 2.42373 -240.18094 632.34580
4450.0000 -248.33622 -239.87317 8.46305 2.47789 -239.02207 661.38226
4455.0000 -247.48491 -239.21892 8.26599 2.42880 -240.07260 647.75049
4460.0000 -246.76750 -236.89311 9.87438 2.52693 -237.97247 707.39542
4465.0000 -246.98972 -237.80775 9.18198 2.54335 -237.62102 708.73364
4470.0000 -247.48803 -238.63758 8.85045 2.52504 -238.01300 692.30186
4475.0000 -247.08710 -238.77311 8.31400 2.48196 -238.93480 660.38992
4480.0000 -246.68939 -237.52619 9.16320 2.50276 -238.48968 687.05889
4485.0000 -245.58863 -237.70452 7.88411 2.55536 -237.36411 728.89215
4490.0000 -246.00935 -237.85812 8.15123 2.56163 -237.22997 716.10360
4495.0000 -247.16488 -237.51249 9.65239 2.49890 -238.57231 687.72320
4500.0000 -248.98606 -238.83291 10.15315 2.52696 -237.97192 701.11493
FREEZING PROCESS: loop number 19 T-loop= 663.00000000000000
main_MD> interactions number 19 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.19565 -1.48378 -6.99136
force_rgl> df(natom) -0.38973 -0.78103 -0.24616
4505.0000 -247.86254 -238.72517 9.13737 2.48459 -238.87849 689.51651
4510.0000 -247.05519 -237.79429 9.26090 2.52228 -238.07211 709.60558
4515.0000 -247.22110 -237.98160 9.23950 2.49315 -238.69533 674.00695
4520.0000 -249.76151 -240.15009 9.61143 2.49502 -238.65547 712.41683
4525.0000 -248.56844 -240.03351 8.53492 2.42506 -240.15245 670.45182
4530.0000 -248.01325 -238.85501 9.15824 2.45416 -239.52975 670.54406
4535.0000 -248.23912 -239.10095 9.13817 2.48852 -238.79439 693.10859
4540.0000 -247.86045 -238.64766 9.21279 2.49279 -238.70318 710.41030
4545.0000 -247.57872 -239.37054 8.20818 2.46008 -239.40312 684.06580
4550.0000 -247.34037 -239.60341 7.73696 2.46400 -239.31914 669.32885
4555.0000 -248.40813 -240.16309 8.24504 2.42365 -240.18283 646.08396
4560.0000 -248.13095 -239.09958 9.03137 2.44979 -239.62324 644.26507
4565.0000 -248.02617 -239.01991 9.00625 2.47355 -239.11479 672.85959
4570.0000 -248.70853 -240.24809 8.46044 2.45854 -239.43616 670.33335
4575.0000 -247.26455 -237.78861 9.47594 2.48336 -238.90499 692.05599
4580.0000 -246.07931 -236.97463 9.10468 2.52869 -237.93489 686.91744
4585.0000 -245.91879 -237.62719 8.29161 2.55051 -237.46781 716.19771
4590.0000 -248.61865 -239.67637 8.94228 2.50577 -238.42524 687.72011
4595.0000 -248.27444 -240.44587 7.82856 2.43158 -240.01301 647.41104
4600.0000 -249.22929 -241.61207 7.61722 2.36383 -241.46301 595.16980
4605.0000 -249.31132 -240.05433 9.25699 2.39525 -240.79050 638.85430
4610.0000 -248.34424 -239.81685 8.52739 2.46808 -239.23183 682.25820
4615.0000 -249.39072 -241.30921 8.08151 2.43325 -239.97728 675.32484
4620.0000 -248.25163 -240.00486 8.24677 2.41803 -240.30305 653.68741
4625.0000 -248.56521 -240.35989 8.20532 2.38981 -240.90697 632.54991
4630.0000 -247.49363 -239.33342 8.16021 2.41057 -240.46269 628.10386
4635.0000 -250.17551 -241.56258 8.61293 2.38858 -240.93326 642.87602
4640.0000 -250.02606 -242.04093 7.98513 2.35998 -241.54522 607.44736
4645.0000 -249.53770 -241.71013 7.82757 2.33575 -242.06391 608.52993
4650.0000 -250.41683 -242.65369 7.76314 2.34113 -241.94862 612.76568
4655.0000 -248.84355 -241.17504 7.66851 2.33290 -242.12474 607.79796
4660.0000 -248.27016 -239.79167 8.47849 2.39972 -240.69476 652.56837
4665.0000 -248.58936 -239.55366 9.03570 2.47180 -239.15234 709.14146
4670.0000 -247.28665 -239.55779 7.72886 2.43926 -239.84860 643.37547
4675.0000 -249.10711 -240.40176 8.70535 2.41674 -240.33050 641.76224
4680.0000 -248.54944 -240.13739 8.41205 2.40924 -240.49102 659.72020
4685.0000 -248.66927 -238.36001 10.30926 2.47996 -238.97771 684.62869
4690.0000 -248.07880 -240.18342 7.89538 2.47473 -239.08954 667.99692
4695.0000 -249.64017 -242.76206 6.87811 2.36344 -241.47126 609.13240
4700.0000 -250.23874 -241.61530 8.62344 2.31999 -242.40112 586.85209
4705.0000 -248.44550 -240.82762 7.61788 2.38885 -240.92749 644.23823
4710.0000 -249.27535 -241.38855 7.88680 2.37104 -241.30864 620.64232
4715.0000 -248.98590 -240.32811 8.65779 2.36786 -241.37671 606.24446
4720.0000 -248.75594 -240.78422 7.97172 2.39115 -240.87816 631.69979
4725.0000 -249.48939 -240.72824 8.76115 2.38276 -241.05787 629.43788
4730.0000 -249.04071 -240.98096 8.05975 2.44136 -239.80368 647.92963
4735.0000 -249.93051 -241.33332 8.59719 2.36197 -241.50263 614.74326
4740.0000 -248.36635 -239.35364 9.01271 2.40270 -240.63103 640.74741
4745.0000 -249.83062 -241.64517 8.18546 2.45292 -239.55625 653.95868
4750.0000 -248.17480 -239.50706 8.66774 2.41559 -240.35521 639.25793
FREEZING PROCESS: loop number 20 T-loop= 638.00000000000000
main_MD> interactions number 20 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.69268 -0.29915 0.13914
force_rgl> df(natom) 3.70225 -2.11928 6.30616
4755.0000 -248.38104 -240.37700 8.00405 2.42356 -240.18474 637.21553
4760.0000 -248.22844 -239.55572 8.67272 2.41885 -240.28541 628.95014
4765.0000 -247.91215 -239.67014 8.24200 2.43665 -239.90460 639.31198
4770.0000 -248.69566 -240.27951 8.41615 2.39053 -240.89151 628.99731
4775.0000 -249.34705 -242.32248 7.02456 2.36012 -241.54238 612.40434
4780.0000 -250.39816 -242.00994 8.38822 2.30255 -242.77433 591.36349
4785.0000 -249.25281 -242.31525 6.93756 2.30779 -242.66223 582.04769
4790.0000 -249.28871 -242.20700 7.08170 2.32678 -242.25576 568.48760
4795.0000 -249.27874 -241.48178 7.79696 2.36545 -241.42823 608.54863
4800.0000 -250.13776 -241.81283 8.32493 2.35733 -241.60202 616.74304
4805.0000 -248.11445 -240.03023 8.08422 2.36121 -241.51894 609.63872
4810.0000 -249.22398 -241.84993 7.37404 2.38909 -240.92233 611.25379
4815.0000 -250.95961 -243.85234 7.10727 2.30985 -242.61814 612.63995
4820.0000 -250.19487 -242.55112 7.64375 2.27834 -243.29238 597.23225
4825.0000 -249.14466 -241.57488 7.56978 2.30164 -242.79381 616.85216
4830.0000 -249.00305 -241.23764 7.76542 2.35976 -241.55000 642.35933
4835.0000 -249.92951 -242.07718 7.85232 2.34313 -241.90589 636.19118
4840.0000 -248.71885 -241.31768 7.40118 2.34104 -241.95066 612.99769
4845.0000 -247.52411 -239.27222 8.25189 2.43726 -239.89138 655.17244
4850.0000 -247.05082 -239.51721 7.53362 2.46628 -239.27046 672.78641
4855.0000 -248.14076 -240.55074 7.59003 2.45235 -239.56851 672.11224
4860.0000 -249.18129 -241.60768 7.57360 2.36939 -241.34387 607.60630
4865.0000 -249.10543 -240.65275 8.45268 2.39925 -240.70482 629.40976
4870.0000 -249.66995 -241.31766 8.35229 2.39580 -240.77876 632.33440
4875.0000 -249.70432 -241.51777 8.18655 2.38272 -241.05858 646.75945
4880.0000 -248.92617 -240.30791 8.61826 2.37970 -241.12327 621.11856
4885.0000 -249.39228 -241.67781 7.71447 2.40245 -240.63642 643.83917
4890.0000 -249.74076 -241.90626 7.83450 2.35471 -241.65799 626.38236
4895.0000 -248.70651 -240.50816 8.19835 2.41381 -240.39323 652.63087
4900.0000 -247.30238 -238.85649 8.44590 2.44125 -239.80610 662.46765
4905.0000 -247.23018 -237.49325 9.73693 2.53909 -237.71221 725.98146
4910.0000 -248.58879 -240.61408 7.97470 2.47262 -239.13474 683.10166
4915.0000 -247.84098 -240.56026 7.28073 2.39853 -240.72028 627.52810
4920.0000 -248.25821 -240.00137 8.25683 2.40234 -240.63870 622.81766
4925.0000 -247.65389 -239.59565 8.05824 2.41372 -240.39528 641.95342
4930.0000 -249.17983 -240.94400 8.23583 2.42121 -240.23505 649.17491
4935.0000 -249.88792 -242.11640 7.77152 2.39991 -240.69078 639.57891
4940.0000 -247.93393 -239.63441 8.29952 2.40361 -240.61151 624.73823
4945.0000 -248.61460 -241.59883 7.01577 2.39597 -240.77514 624.58589
4950.0000 -248.97963 -241.44291 7.53672 2.38503 -241.00928 624.43027
4955.0000 -248.39790 -239.63910 8.75880 2.44383 -239.75092 661.47922
4960.0000 -247.92509 -240.22514 7.69994 2.44296 -239.76941 659.23305
4965.0000 -246.70502 -238.80138 7.90364 2.46470 -239.30414 676.52245
4970.0000 -249.43248 -239.41857 10.01390 2.47296 -239.12744 678.02299
4975.0000 -247.07548 -238.59127 8.48421 2.49871 -238.57634 693.20164
4980.0000 -248.25060 -240.10570 8.14490 2.48198 -238.93448 683.99115
4985.0000 -247.06004 -240.44985 6.61019 2.41470 -240.37423 629.84453
4990.0000 -248.11538 -240.61109 7.50429 2.39304 -240.83781 627.61502
4995.0000 -249.24639 -241.81770 7.42869 2.36800 -241.37368 605.12275
5000.0000 -249.10181 -241.16263 7.93919 2.38692 -240.96872 609.94165
FREEZING PROCESS: loop number 21 T-loop= 613.00000000000000
main_MD> interactions number 21 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20512 5.68678 -4.37825
force_rgl> df(natom) 2.55828 -3.61119 -1.81589
5005.0000 -249.66860 -241.88545 7.78315 2.36106 -241.52216 606.57314
5010.0000 -249.72750 -242.88386 6.84364 2.32733 -242.24405 597.56435
5015.0000 -249.34538 -243.28895 6.05643 2.30909 -242.63445 563.35855
5020.0000 -248.49673 -240.61899 7.87775 2.33414 -242.09820 592.20047
5025.0000 -249.90761 -241.52454 8.38306 2.36214 -241.49910 603.05884
5030.0000 -249.64442 -242.26327 7.38114 2.38316 -241.04917 610.67435
5035.0000 -250.05234 -241.81109 8.24126 2.37615 -241.19916 609.34708
5040.0000 -249.83900 -241.13022 8.70879 2.34331 -241.90205 607.59059
5045.0000 -249.37106 -241.56963 7.80143 2.38319 -241.04850 644.77200
5050.0000 -250.00025 -241.76379 8.23645 2.35448 -241.66302 625.58867
5055.0000 -249.45828 -241.58624 7.87204 2.32896 -242.20909 596.99165
5060.0000 -249.51266 -242.75062 6.76203 2.33801 -242.01549 604.21983
5065.0000 -249.15820 -240.75994 8.39826 2.35489 -241.65432 627.17736
5070.0000 -249.07029 -239.89459 9.17570 2.40840 -240.50918 642.70933
5075.0000 -247.72809 -240.15797 7.57012 2.40680 -240.54341 640.49806
5080.0000 -248.40821 -240.10598 8.30223 2.42789 -240.09200 630.46494
5085.0000 -250.20887 -242.29148 7.91739 2.38493 -241.01137 626.79631
5090.0000 -249.88798 -240.94478 8.94320 2.32917 -242.20475 624.83181
5095.0000 -250.89720 -242.90444 7.99276 2.36304 -241.47977 635.91390
5100.0000 -249.60706 -240.86402 8.74304 2.34008 -241.97117 613.87750
5105.0000 -248.44484 -240.89138 7.55346 2.39429 -240.81109 638.19043
5110.0000 -248.90252 -241.44818 7.45434 2.39181 -240.86420 644.71085
5115.0000 -248.72510 -241.40923 7.31588 2.35785 -241.59081 624.19483
5120.0000 -249.49090 -240.70917 8.78172 2.38018 -241.11293 641.04151
5125.0000 -248.98518 -240.58111 8.40407 2.37018 -241.32701 633.02298
5130.0000 -248.77842 -240.16517 8.61325 2.39434 -240.80998 629.73119
5135.0000 -249.98921 -242.30356 7.68564 2.37684 -241.18453 642.76467
5140.0000 -250.45464 -241.95736 8.49728 2.35240 -241.70754 618.83329
5145.0000 -248.43698 -240.98158 7.45540 2.35023 -241.75392 598.06157
5150.0000 -248.03183 -240.08937 7.94246 2.39291 -240.84048 629.63868
5155.0000 -248.89481 -241.62758 7.26723 2.34919 -241.77624 593.76920
5160.0000 -249.56885 -242.13585 7.43300 2.33386 -242.10421 606.02589
5165.0000 -248.88743 -240.61446 8.27297 2.37074 -241.31506 618.54719
5170.0000 -250.37286 -242.71262 7.66024 2.36765 -241.38116 635.84957
5175.0000 -248.46944 -241.17361 7.29583 2.35238 -241.70797 610.76885
5180.0000 -248.26929 -240.29574 7.97355 2.37983 -241.12058 615.95296
5185.0000 -249.14021 -241.14424 7.99598 2.38233 -241.06700 638.66547
5190.0000 -250.62340 -242.25715 8.36626 2.35675 -241.61439 600.49570
5195.0000 -249.53943 -241.69631 7.84312 2.32758 -242.23860 596.33370
5200.0000 -247.88240 -240.39388 7.48852 2.37782 -241.16342 614.41974
5205.0000 -248.85450 -241.77629 7.07821 2.37484 -241.22732 613.39489
5210.0000 -250.02513 -242.46870 7.55643 2.33552 -242.06878 579.26035
5215.0000 -249.51864 -241.33597 8.18268 2.34753 -241.81176 620.93007
5220.0000 -248.69389 -240.44186 8.25203 2.40015 -240.68554 629.44446
5225.0000 -248.48379 -241.79802 6.68577 2.38836 -240.93800 621.08736
5230.0000 -250.25014 -243.02255 7.22759 2.32794 -242.23091 588.79124
5235.0000 -252.15922 -243.35433 8.80489 2.27906 -243.27704 565.90159
5240.0000 -250.91954 -243.21471 7.70483 2.29067 -243.02867 594.37967
5245.0000 -250.36718 -243.13165 7.23554 2.26187 -243.64495 564.51884
5250.0000 -249.29495 -242.08560 7.20935 2.29908 -242.84852 587.78723
FREEZING PROCESS: loop number 22 T-loop= 588.00000000000000
main_MD> interactions number 22 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63309 -1.69031 -0.99014
force_rgl> df(natom) -0.62539 1.22787 0.20018
5255.0000 -250.22738 -242.81661 7.41078 2.30489 -242.72418 585.54309
5260.0000 -251.04840 -243.14740 7.90100 2.27494 -243.36513 563.15719
5265.0000 -250.86027 -243.40320 7.45707 2.30075 -242.81278 595.83142
5270.0000 -250.14181 -242.83986 7.30195 2.26743 -243.52587 556.24693
5275.0000 -249.37176 -242.27938 7.09239 2.31261 -242.55907 572.68214
5280.0000 -248.37468 -240.27800 8.09668 2.38616 -240.98512 615.79087
5285.0000 -248.99058 -240.66070 8.32988 2.41247 -240.42199 641.92926
5290.0000 -249.43049 -240.92313 8.50736 2.39971 -240.69507 644.14570
5295.0000 -248.58358 -241.30110 7.28249 2.37602 -241.20203 610.93628
5300.0000 -249.83512 -242.50675 7.32838 2.30359 -242.75199 561.00598
5305.0000 -250.99987 -244.24768 6.75219 2.27828 -243.29365 552.57275
5310.0000 -249.15790 -241.66861 7.48928 2.26545 -243.56839 547.38001
5315.0000 -250.79091 -242.79311 7.99780 2.34786 -241.80466 597.85006
5320.0000 -249.56485 -242.30491 7.25994 2.30025 -242.82345 554.18975
5325.0000 -249.10371 -241.56632 7.53739 2.33358 -242.11035 592.05234
5330.0000 -249.44680 -242.65230 6.79450 2.35924 -241.56124 618.42441
5335.0000 -250.46205 -242.46411 7.99793 2.30076 -242.81274 594.50092
5340.0000 -250.08723 -242.39583 7.69140 2.31789 -242.44609 602.01225
5345.0000 -249.79556 -241.58373 8.21184 2.34093 -241.95298 608.93634
5350.0000 -250.75425 -243.72828 7.02597 2.27620 -243.33816 557.08146
5355.0000 -251.38723 -243.72222 7.66501 2.23824 -244.15069 532.16122
5360.0000 -251.85097 -244.05804 7.79293 2.25297 -243.83546 565.45117
5365.0000 -250.74117 -243.46427 7.27690 2.25203 -243.85542 552.98428
5370.0000 -251.05923 -243.03474 8.02449 2.29108 -243.01971 557.85514
5375.0000 -249.44775 -243.17966 6.26809 2.29725 -242.88781 553.42288
5380.0000 -250.32250 -242.91703 7.40548 2.31661 -242.47338 566.27279
5385.0000 -250.19578 -242.83397 7.36181 2.32106 -242.37821 581.51741
5390.0000 -251.28331 -244.12625 7.15705 2.25808 -243.72609 549.42414
5395.0000 -250.29171 -242.28087 8.01084 2.25581 -243.77458 543.13280
5400.0000 -249.19007 -242.41165 6.77842 2.31348 -242.54040 599.45323
5405.0000 -250.59405 -243.42882 7.16523 2.31714 -242.46207 566.92207
5410.0000 -250.13792 -243.09526 7.04266 2.29063 -243.02950 580.36160
5415.0000 -250.03801 -242.54075 7.49726 2.32889 -242.21069 598.65510
5420.0000 -248.93520 -241.48615 7.44905 2.35842 -241.57867 595.91108
5425.0000 -248.41776 -242.31136 6.10640 2.34786 -241.80468 590.92592
5430.0000 -249.61434 -242.55770 7.05664 2.32081 -242.38351 594.27528
5435.0000 -249.27549 -241.63498 7.64051 2.34445 -241.87769 617.65866
5440.0000 -248.74756 -242.34762 6.39993 2.32649 -242.26200 589.24123
5445.0000 -251.39943 -243.04751 8.35193 2.27082 -243.45336 582.23718
5450.0000 -250.46415 -242.78298 7.68117 2.29855 -242.86001 598.89416
5455.0000 -250.04094 -241.30173 8.73921 2.34440 -241.87865 586.81153
5460.0000 -249.83057 -242.88808 6.94249 2.36878 -241.35700 594.69846
5465.0000 -248.16665 -241.09585 7.07079 2.33477 -242.08485 585.74996
5470.0000 -248.56901 -241.46602 7.10298 2.39770 -240.73808 633.85241
5475.0000 -248.87699 -241.93237 6.94462 2.35340 -241.68612 588.31571
5480.0000 -249.90106 -242.42842 7.47264 2.34213 -241.92725 596.29025
5485.0000 -250.36001 -243.65480 6.70521 2.29120 -243.01730 564.79880
5490.0000 -251.52570 -243.31087 8.21483 2.30250 -242.77545 580.55337
5495.0000 -250.88151 -243.36820 7.51331 2.27259 -243.41545 592.98182
5500.0000 -250.07382 -243.35081 6.72301 2.27841 -243.29099 569.54217
FREEZING PROCESS: loop number 23 T-loop= 563.00000000000000
main_MD> interactions number 23 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36671 0.63555 0.84717
force_rgl> df(natom) -0.90760 -1.14337 -0.19959
5505.0000 -251.16636 -244.46909 6.69727 2.24315 -244.04550 536.54915
5510.0000 -251.27128 -243.61327 7.65801 2.23768 -244.16254 544.30940
5515.0000 -251.45402 -243.47607 7.97795 2.27929 -243.27200 594.17692
5520.0000 -251.08907 -244.05278 7.03629 2.25362 -243.82153 572.56044
5525.0000 -251.79098 -244.74909 7.04190 2.22661 -244.39954 558.87778
5530.0000 -252.78718 -246.26964 6.51754 2.18784 -245.22915 548.45160
5535.0000 -252.81289 -245.13183 7.68106 2.16395 -245.74041 561.65486
5540.0000 -252.75514 -245.94915 6.80598 2.18400 -245.31127 559.99530
5545.0000 -251.46239 -244.16080 7.30160 2.19069 -245.16816 558.01391
5550.0000 -252.53010 -244.57114 7.95895 2.22211 -244.49588 594.41920
5555.0000 -251.24649 -243.38071 7.86577 2.22107 -244.51810 581.15272
5560.0000 -253.31550 -246.58629 6.72921 2.16869 -245.63904 537.77223
5565.0000 -251.88246 -244.00224 7.88022 2.19374 -245.10293 538.54226
5570.0000 -252.71182 -244.61052 8.10130 2.19776 -245.01687 537.52817
5575.0000 -251.37326 -244.69404 6.67922 2.20708 -244.81735 552.71636
5580.0000 -250.03585 -244.02019 6.01566 2.20558 -244.84949 520.98135
5585.0000 -250.16535 -242.52965 7.63570 2.26776 -243.51884 553.79894
5590.0000 -248.30756 -240.00476 8.30280 2.39459 -240.80467 612.01894
5595.0000 -249.01602 -241.18658 7.82944 2.40376 -240.60845 626.82110
5600.0000 -249.78680 -242.31808 7.46872 2.33814 -242.01258 605.68514
5605.0000 -250.01627 -243.14185 6.87441 2.31941 -242.41348 564.44524
5610.0000 -250.83313 -243.23988 7.59325 2.28961 -243.05120 556.47008
5615.0000 -249.62631 -243.31082 6.31549 2.29223 -242.99520 562.77429
5620.0000 -249.58259 -242.72135 6.86124 2.27715 -243.31796 542.05656
5625.0000 -249.14560 -242.03587 7.10973 2.32149 -242.36909 576.93284
5630.0000 -250.51537 -243.37200 7.14337 2.30403 -242.74268 577.86356
5635.0000 -251.95432 -245.01578 6.93855 2.24776 -243.94687 543.02701
5640.0000 -249.23594 -242.35236 6.88358 2.25309 -243.83283 532.81138
5645.0000 -250.16820 -243.30361 6.86459 2.30299 -242.76499 557.69927
5650.0000 -250.88296 -243.58915 7.29381 2.28201 -243.21386 557.67662
5655.0000 -251.84957 -244.39601 7.45356 2.27595 -243.34356 564.16372
5660.0000 -250.59913 -244.37561 6.22352 2.21719 -244.60104 523.53389
5665.0000 -250.61400 -244.06653 6.54747 2.21909 -244.56041 523.16311
5670.0000 -250.42298 -243.65384 6.76913 2.23992 -244.11455 521.46268
5675.0000 -251.72572 -244.78154 6.94418 2.25888 -243.70893 537.82470
5680.0000 -252.51541 -245.29334 7.22207 2.18701 -245.24686 515.94312
5685.0000 -251.05858 -244.11321 6.94537 2.19255 -245.12836 514.34371
5690.0000 -250.02781 -242.70148 7.32633 2.28931 -243.05773 579.10063
5695.0000 -251.34165 -242.98391 8.35774 2.28817 -243.08213 570.83398
5700.0000 -251.21632 -243.94708 7.26924 2.28452 -243.16023 558.11418
5705.0000 -250.08772 -243.32859 6.75913 2.27277 -243.41169 547.20088
5710.0000 -250.27771 -243.30519 6.97252 2.25570 -243.77696 528.93016
5715.0000 -250.42151 -243.20497 7.21653 2.27605 -243.34143 545.41503
5720.0000 -250.14350 -243.14426 6.99925 2.30960 -242.62342 578.30363
5725.0000 -251.36347 -243.74371 7.61976 2.30097 -242.80821 576.31355
5730.0000 -251.61739 -244.41570 7.20169 2.23716 -244.17374 549.42531
5735.0000 -250.22369 -242.96238 7.26131 2.23822 -244.15099 559.05420
5740.0000 -250.42061 -243.60730 6.81331 2.27002 -243.47048 552.85172
5745.0000 -250.15823 -243.55876 6.59948 2.27667 -243.32812 555.97559
5750.0000 -251.29117 -244.17110 7.12007 2.27534 -243.35668 548.24464
FREEZING PROCESS: loop number 24 T-loop= 538.00000000000000
main_MD> interactions number 24 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49263 -0.43905 1.25948
force_rgl> df(natom) -1.99652 -0.62806 0.57647
5755.0000 -251.11268 -245.58337 5.52931 2.20981 -244.75907 509.40263
5760.0000 -251.32557 -244.70004 6.62552 2.20268 -244.91164 512.64561
5765.0000 -251.05825 -244.48039 6.57786 2.20971 -244.76120 520.35267
5770.0000 -251.01008 -244.51842 6.49166 2.21134 -244.72623 517.12664
5775.0000 -250.53064 -244.11570 6.41493 2.23606 -244.19727 543.61895
5780.0000 -250.67346 -243.13045 7.54302 2.25946 -243.69643 572.89926
5785.0000 -251.55356 -244.16149 7.39208 2.26250 -243.63146 586.51492
5790.0000 -252.26496 -246.30980 5.95516 2.19535 -245.06842 530.09523
5795.0000 -252.67949 -245.68643 6.99306 2.17657 -245.47030 517.66172
5800.0000 -251.79262 -245.59721 6.19541 2.18195 -245.35520 522.11346
5805.0000 -251.92693 -245.83233 6.09460 2.16339 -245.75233 504.54272
5810.0000 -252.83473 -246.26449 6.57024 2.14537 -246.13799 488.61388
5815.0000 -251.93088 -244.88333 7.04755 2.18763 -245.23363 518.36182
5820.0000 -251.91286 -244.90338 7.00948 2.18114 -245.37261 531.38897
5825.0000 -251.45696 -244.04603 7.41093 2.21589 -244.62885 559.71620
5830.0000 -252.60802 -246.28298 6.32505 2.17440 -245.51688 516.63521
5835.0000 -252.55940 -246.08884 6.47057 2.13993 -246.25454 492.44413
5840.0000 -252.91952 -245.50777 7.41176 2.16733 -245.66814 515.23314
5845.0000 -252.34127 -245.14115 7.20011 2.18448 -245.30098 517.39564
5850.0000 -251.02129 -244.37660 6.64470 2.20899 -244.77664 539.37688
5855.0000 -253.16464 -245.82712 7.33752 2.18795 -245.22683 553.86084
5860.0000 -252.56509 -245.52414 7.04095 2.14704 -246.10238 526.17430
5865.0000 -252.46707 -245.03755 7.42952 2.17483 -245.50752 543.21187
5870.0000 -252.98647 -246.87420 6.11227 2.13240 -246.41572 519.20487
5875.0000 -251.88545 -245.36434 6.52111 2.13017 -246.46335 520.59273
5880.0000 -252.34071 -246.73560 5.60511 2.15703 -245.88853 528.23471
5885.0000 -252.61823 -245.52311 7.09511 2.13381 -246.38536 507.03916
5890.0000 -252.21408 -246.01202 6.20206 2.15704 -245.88831 534.95568
5895.0000 -253.25056 -246.18132 7.06924 2.14883 -246.06402 526.73821
5900.0000 -252.13250 -245.04196 7.09054 2.15668 -245.89592 533.69888
5905.0000 -252.96095 -245.55556 7.40539 2.18543 -245.28083 553.25376
5910.0000 -253.11054 -246.31664 6.79390 2.13243 -246.41504 524.97895
5915.0000 -252.64340 -245.55590 7.08750 2.17936 -245.41072 544.35882
5920.0000 -253.00574 -246.43211 6.57363 2.13543 -246.35078 513.21477
5925.0000 -253.05704 -245.25619 7.80085 2.16279 -245.76528 535.17469
5930.0000 -252.76900 -246.33017 6.43883 2.17118 -245.58566 544.34069
5935.0000 -251.86047 -245.22732 6.63315 2.13539 -246.35167 521.81481
5940.0000 -252.12197 -244.98855 7.13342 2.19091 -245.16358 562.90237
5945.0000 -253.14016 -245.88002 7.26014 2.20234 -244.91884 564.43571
5950.0000 -251.57993 -244.88022 6.69970 2.15499 -245.93208 532.49377
5955.0000 -252.72925 -246.02560 6.70365 2.17689 -245.46354 531.50458
5960.0000 -251.70623 -244.81276 6.89346 2.19421 -245.09289 557.43138
5965.0000 -252.00414 -244.76946 7.23467 2.18615 -245.26526 560.28755
5970.0000 -252.07831 -245.23484 6.84347 2.18642 -245.25958 549.28341
5975.0000 -253.14826 -245.16430 7.98396 2.17849 -245.42920 547.52904
5980.0000 -253.90729 -247.07673 6.83057 2.15596 -245.91139 543.67848
5985.0000 -252.84095 -246.48499 6.35596 2.10306 -247.04357 508.37598
5990.0000 -251.85867 -245.74377 6.11491 2.15035 -246.03140 525.88993
5995.0000 -253.50097 -245.78553 7.71544 2.16209 -245.78026 553.71963
6000.0000 -253.89268 -246.46228 7.43040 2.13797 -246.29649 539.70170
FREEZING PROCESS: loop number 25 T-loop= 513.00000000000000
main_MD> interactions number 25 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.37073 -3.00881 -4.32859
force_rgl> df(natom) 3.77448 2.98838 -0.56580
6005.0000 -253.74116 -246.75157 6.98959 2.11044 -246.88552 520.46064
6010.0000 -253.72749 -247.91072 5.81678 2.11293 -246.83239 520.96553
6015.0000 -254.62085 -248.24495 6.37589 2.05483 -248.07565 481.99147
6020.0000 -253.95306 -249.09099 4.86207 2.05470 -248.07841 482.68339
6025.0000 -254.49204 -248.81047 5.68157 2.03507 -248.49855 467.21905
6030.0000 -254.38649 -247.49310 6.89339 2.05562 -248.05883 482.90463
6035.0000 -254.38368 -247.44349 6.94019 2.08778 -247.37061 500.74463
6040.0000 -253.99797 -246.46934 7.52863 2.09761 -247.16012 511.40601
6045.0000 -253.09671 -246.60380 6.49291 2.12835 -246.50220 535.18794
6050.0000 -253.14398 -246.24458 6.89940 2.11777 -246.72862 518.96433
6055.0000 -251.40734 -245.53616 5.87118 2.18438 -245.30319 565.81659
6060.0000 -252.53849 -246.15763 6.38085 2.11193 -246.85371 510.46821
6065.0000 -253.94413 -246.57631 7.36781 2.10648 -246.97039 517.58040
6070.0000 -253.48797 -246.75105 6.73692 2.11927 -246.69662 523.21701
6075.0000 -253.32655 -246.48426 6.84229 2.10383 -247.02695 520.66686
6080.0000 -251.11274 -244.49678 6.61597 2.19420 -245.09302 566.14671
6085.0000 -252.62396 -246.40497 6.21899 2.19528 -245.06994 541.58068
6090.0000 -252.29226 -246.06601 6.22625 2.15731 -245.88248 545.29062
6095.0000 -253.84604 -247.45619 6.38985 2.12923 -246.48347 509.54181
6100.0000 -253.81207 -247.35549 6.45657 2.09505 -247.21492 512.39414
6105.0000 -253.80926 -246.68523 7.12402 2.09467 -247.22301 516.20149
6110.0000 -252.39796 -245.05405 7.34392 2.15611 -245.90828 557.77667
6115.0000 -252.68183 -246.79026 5.89156 2.16427 -245.73349 547.47468
6120.0000 -253.53430 -246.01585 7.51845 2.13429 -246.37508 537.18915
6125.0000 -253.23465 -245.35453 7.88011 2.17259 -245.55559 562.88774
6130.0000 -252.85957 -245.99209 6.86748 2.14890 -246.06241 531.81436
6135.0000 -252.97607 -246.19840 6.77767 2.17303 -245.54605 543.50545
6140.0000 -253.38011 -245.91751 7.46260 2.14689 -246.10546 542.42967
6145.0000 -253.10772 -246.33129 6.77643 2.15789 -245.87018 545.07185
6150.0000 -253.43471 -246.83491 6.59980 2.14114 -246.22848 538.21016
6155.0000 -253.31525 -245.98814 7.32712 2.13138 -246.43744 531.52658
6160.0000 -252.66685 -246.25457 6.41228 2.17407 -245.52391 551.81085
6165.0000 -253.60288 -247.32052 6.28235 2.07852 -247.56878 496.47744
6170.0000 -252.84509 -246.61017 6.23491 2.12700 -246.53125 528.63114
6175.0000 -253.55824 -246.89025 6.66799 2.12828 -246.50388 526.74507
6180.0000 -253.64587 -247.61993 6.02594 2.07836 -247.57203 502.31668
6185.0000 -254.00487 -247.56680 6.43808 2.05399 -248.09362 486.08126
6190.0000 -254.48758 -248.13733 6.35026 2.06501 -247.85782 492.12892
6195.0000 -254.54883 -248.01284 6.53599 2.04885 -248.20369 476.06269
6200.0000 -253.93362 -247.85194 6.08168 2.08196 -247.49511 502.76209
6205.0000 -253.82496 -246.77115 7.05381 2.10985 -246.89824 517.68899
6210.0000 -252.27380 -246.26379 6.01001 2.12153 -246.64824 522.54109
6215.0000 -253.49421 -246.33696 7.15726 2.12761 -246.51808 528.70209
6220.0000 -252.99531 -246.19972 6.79559 2.13146 -246.43581 516.83885
6225.0000 -253.86984 -246.61194 7.25790 2.14377 -246.17233 539.55252
6230.0000 -252.49772 -246.31865 6.17907 2.12859 -246.49718 527.16273
6235.0000 -253.45475 -247.40429 6.05046 2.10151 -247.07663 500.18810
6240.0000 -253.84246 -246.87131 6.97115 2.10724 -246.95399 500.71116
6245.0000 -253.80680 -247.02945 6.77735 2.09795 -247.15290 497.42579
6250.0000 -252.64950 -246.26131 6.38820 2.11112 -246.87101 509.56894
FREEZING PROCESS: loop number 26 T-loop= 488.00000000000000
main_MD> interactions number 26 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99443 -0.56360 -0.87704
force_rgl> df(natom) 0.36788 -1.42101 -0.60668
6255.0000 -252.39200 -245.58652 6.80548 2.16310 -245.75859 542.41228
6260.0000 -253.83380 -246.83971 6.99408 2.12869 -246.49495 516.93111
6265.0000 -253.02256 -246.75787 6.26469 2.10173 -247.07199 501.77178
6270.0000 -253.67710 -247.25333 6.42377 2.11098 -246.87410 503.21191
6275.0000 -254.30170 -247.66422 6.63747 2.08268 -247.47975 490.69585
6280.0000 -254.24908 -247.33577 6.91331 2.05111 -248.15534 468.14231
6285.0000 -254.10089 -247.87279 6.22809 2.10368 -247.03028 508.83919
6290.0000 -253.56541 -247.15784 6.40757 2.10606 -246.97927 506.72466
6295.0000 -254.31373 -247.66047 6.65326 2.07170 -247.71460 480.50097
6300.0000 -254.16744 -247.87091 6.29653 2.07744 -247.59182 484.14134
6305.0000 -254.59402 -247.99508 6.59894 2.05780 -248.01210 475.51987
6310.0000 -254.73497 -248.82612 5.90885 2.04602 -248.26418 474.90387
6315.0000 -254.39063 -248.66053 5.73010 2.02895 -248.62954 465.29269
6320.0000 -254.16439 -247.58138 6.58301 2.04383 -248.31108 480.12247
6325.0000 -253.71926 -247.28410 6.43517 2.10187 -247.06907 521.73895
6330.0000 -254.55855 -248.75899 5.79956 2.04408 -248.30567 483.27580
6335.0000 -254.53768 -248.36834 6.16934 2.04016 -248.38950 476.94066
6340.0000 -254.33315 -247.79767 6.53549 2.02719 -248.66724 471.70689
6345.0000 -254.13275 -248.12174 6.01101 2.05434 -248.08617 492.44178
6350.0000 -254.04983 -247.67090 6.37893 2.07152 -247.71846 487.81137
6355.0000 -253.45271 -246.73509 6.71762 2.10376 -247.02858 510.74749
6360.0000 -254.68953 -248.39815 6.29138 2.06904 -247.77148 491.05900
6365.0000 -253.81825 -248.08898 5.72927 2.05263 -248.12267 483.12114
6370.0000 -254.52842 -248.69254 5.83589 2.05020 -248.17480 478.85133
6375.0000 -255.21153 -250.15387 5.05767 1.99934 -249.26325 440.74498
6380.0000 -254.24592 -248.64524 5.60069 2.02905 -248.62730 455.05062
6385.0000 -253.76481 -247.38557 6.37924 2.06873 -247.77816 467.33921
6390.0000 -254.59546 -247.65331 6.94215 2.07958 -247.54594 492.02774
6395.0000 -255.48457 -248.95489 6.52968 2.05985 -247.96827 481.45705
6400.0000 -253.99093 -246.42304 7.56788 2.06017 -247.96129 486.01499
6405.0000 -252.72713 -246.69503 6.03209 2.11806 -246.72243 520.62150
6410.0000 -254.35809 -248.55640 5.80169 2.09041 -247.31419 506.11895
6415.0000 -254.36290 -248.50343 5.85947 2.03380 -248.52572 465.85094
6420.0000 -255.21048 -249.38313 5.82734 2.00786 -249.08076 443.01191
6425.0000 -254.74944 -249.19065 5.55880 1.98015 -249.67391 428.21039
6430.0000 -254.35134 -248.73442 5.61692 2.00411 -249.16103 440.83739
6435.0000 -254.76202 -248.47132 6.29070 2.04165 -248.35770 460.28083
6440.0000 -254.53396 -248.12326 6.41070 2.03651 -248.46780 466.33713
6445.0000 -253.69157 -247.08454 6.60702 2.05526 -248.06653 481.14638
6450.0000 -254.60572 -248.66978 5.93594 2.04506 -248.28477 472.00382
6455.0000 -254.77848 -248.53120 6.24728 2.02388 -248.73791 457.51639
6460.0000 -254.59751 -248.44803 6.14948 2.03215 -248.56108 458.69471
6465.0000 -253.42290 -248.04760 5.37531 2.04639 -248.25627 471.75733
6470.0000 -253.87250 -247.65899 6.21351 2.06466 -247.86532 485.71697
6475.0000 -253.70355 -247.73439 5.96916 2.06792 -247.79552 486.21257
6480.0000 -254.24594 -247.66821 6.57773 2.06810 -247.79164 480.74017
6485.0000 -254.71328 -248.48975 6.22352 2.02836 -248.64216 459.61314
6490.0000 -255.08825 -247.93492 7.15333 2.07910 -247.55625 493.03713
6495.0000 -253.29901 -246.69968 6.59933 2.08650 -247.39792 499.95759
6500.0000 -253.84298 -246.89097 6.95201 2.10948 -246.90620 511.04499
FREEZING PROCESS: loop number 27 T-loop= 463.00000000000000
main_MD> interactions number 27 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.83576 -0.51525 -0.74539
force_rgl> df(natom) -0.49180 -3.06220 0.04482
6505.0000 -254.15675 -246.80850 7.34825 2.10142 -247.07857 509.99854
6510.0000 -254.29332 -248.79281 5.50051 2.06900 -247.77232 488.58459
6515.0000 -253.75202 -247.70926 6.04276 2.05877 -247.99131 476.47837
6520.0000 -255.32664 -249.13901 6.18763 2.03487 -248.50279 464.94529
6525.0000 -254.78088 -248.97137 5.80951 2.02056 -248.80907 452.28607
6530.0000 -254.93101 -247.66911 7.26190 2.03058 -248.59468 452.90467
6535.0000 -253.01809 -247.44365 5.57444 2.06952 -247.76133 484.91734
6540.0000 -254.65347 -248.29644 6.35703 2.03710 -248.45499 456.60515
6545.0000 -253.59043 -248.01887 5.57156 2.04428 -248.30153 454.30540
6550.0000 -254.71915 -249.00230 5.71685 2.03031 -248.60047 459.07441
6555.0000 -255.00722 -249.65707 5.35015 2.01843 -248.85471 463.64143
6560.0000 -254.65658 -248.47024 6.18634 1.99479 -249.36063 442.97751
6565.0000 -254.43963 -248.41353 6.02610 2.04055 -248.38123 478.30468
6570.0000 -254.32697 -249.01593 5.31104 2.03103 -248.58497 468.88104
6575.0000 -254.72601 -248.45003 6.27599 2.03141 -248.57685 469.90568
6580.0000 -254.74743 -248.40807 6.33936 2.02107 -248.79813 461.77413
6585.0000 -255.44016 -249.98340 5.45676 1.99950 -249.25984 439.64998
6590.0000 -254.15163 -248.73728 5.41435 2.01778 -248.86854 460.23651
6595.0000 -254.18017 -247.37363 6.80654 2.06398 -247.87993 493.39726
6600.0000 -254.00240 -248.03632 5.96608 2.06099 -247.94376 482.84743
6605.0000 -253.34884 -247.93267 5.41618 2.05998 -247.96546 491.61192
6610.0000 -253.79149 -247.40967 6.38182 2.05283 -248.11842 476.99514
6615.0000 -254.89270 -248.64465 6.24805 2.05392 -248.09519 479.75592
6620.0000 -255.09903 -249.48431 5.61472 1.99624 -249.32942 442.12027
6625.0000 -254.76639 -247.87815 6.88824 2.07207 -247.70674 505.27538
6630.0000 -254.67497 -249.20118 5.47379 2.05726 -248.02367 493.15036
6635.0000 -254.84602 -248.48844 6.35758 2.02543 -248.70486 467.65220
6640.0000 -255.28786 -248.62241 6.66546 2.02079 -248.80410 465.12977
6645.0000 -255.05621 -249.75184 5.30437 1.98469 -249.57665 436.50236
6650.0000 -255.21090 -249.77277 5.43812 1.97085 -249.87293 427.28211
6655.0000 -253.75190 -248.64407 5.10783 2.00053 -249.23764 449.43760
6660.0000 -254.71131 -249.42348 5.28784 2.02210 -248.77608 466.19548
6665.0000 -254.62533 -248.99788 5.62745 2.01130 -249.00725 455.91549
6670.0000 -254.71461 -248.77881 5.93580 2.02633 -248.68566 465.33168
6675.0000 -254.87141 -249.33350 5.53791 2.03197 -248.56483 471.59740
6680.0000 -254.93565 -249.42113 5.51452 1.99969 -249.25562 435.01163
6685.0000 -254.89445 -248.27634 6.61812 2.02207 -248.77673 458.20885
6690.0000 -254.47770 -248.62814 5.84956 2.05114 -248.15464 477.32093
6695.0000 -255.37066 -249.02888 6.34178 2.02306 -248.75548 449.85344
6700.0000 -253.67462 -247.73081 5.94382 2.03634 -248.47135 469.10185
6705.0000 -253.91496 -247.69717 6.21779 2.10848 -246.92742 513.17733
6710.0000 -254.88804 -249.00740 5.88064 2.04413 -248.30471 470.55531
6715.0000 -254.27351 -249.38283 4.89068 1.99658 -249.32232 434.18724
6720.0000 -255.16054 -249.17542 5.98512 2.00024 -249.24383 436.52432
6725.0000 -255.50396 -249.90528 5.59868 1.97443 -249.79635 417.46263
6730.0000 -255.46943 -249.64667 5.82275 1.97527 -249.77830 417.87577
6735.0000 -253.75533 -247.84900 5.90633 2.03068 -248.59240 452.89372
6740.0000 -254.04976 -247.91390 6.13586 2.06476 -247.86306 470.12627
6745.0000 -253.86435 -248.22011 5.64424 2.04173 -248.35605 450.63175
6750.0000 -254.16441 -247.53021 6.63420 2.05236 -248.12853 472.60961
FREEZING PROCESS: loop number 28 T-loop= 438.00000000000000
main_MD> interactions number 28 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18102 -1.00379 2.16279
force_rgl> df(natom) 2.07350 -1.88072 0.91913
6755.0000 -254.60639 -248.13389 6.47250 2.06144 -247.93411 491.87571
6760.0000 -255.06435 -249.31146 5.75289 2.01821 -248.85928 451.98994
6765.0000 -255.33905 -250.37187 4.96718 1.99132 -249.43481 432.32102
6770.0000 -255.14780 -250.27840 4.86940 1.95006 -250.31768 404.52911
6775.0000 -255.79973 -250.38640 5.41333 1.97955 -249.68676 424.86001
6780.0000 -255.76639 -250.19374 5.57265 1.93573 -250.62453 394.25506
6785.0000 -255.17921 -249.37536 5.80385 1.98341 -249.60400 427.59229
6790.0000 -254.78984 -249.23921 5.55063 1.98128 -249.64970 425.75510
6795.0000 -254.49171 -248.72258 5.76912 1.99295 -249.40001 434.02837
6800.0000 -255.05825 -249.00861 6.04965 1.99291 -249.40081 429.78331
6805.0000 -254.63508 -248.94573 5.68935 2.00452 -249.15236 442.71493
6810.0000 -253.96819 -248.39502 5.57317 2.04562 -248.27270 458.38143
6815.0000 -254.51930 -248.23357 6.28573 2.04698 -248.24372 473.33184
6820.0000 -254.52957 -248.89433 5.63524 2.03246 -248.55435 459.60842
6825.0000 -255.36620 -250.33132 5.03488 1.98599 -249.54878 429.38771
6830.0000 -254.21668 -249.64059 4.57609 1.93820 -250.57164 395.76496
6835.0000 -255.19375 -249.88814 5.30561 1.97185 -249.85153 423.24792
6840.0000 -254.59324 -248.78605 5.80719 2.00453 -249.15208 438.59617
6845.0000 -255.82780 -249.11152 6.71629 2.02698 -248.67163 450.75781
6850.0000 -254.28580 -248.22299 6.06281 2.02966 -248.61428 458.12653
6855.0000 -254.03503 -248.60611 5.42892 2.02753 -248.65981 458.19519
6860.0000 -254.15574 -247.67175 6.48399 2.03610 -248.47641 451.38424
6865.0000 -253.77680 -247.73517 6.04163 2.09326 -247.25316 492.77671
6870.0000 -254.49927 -248.88078 5.61849 2.03721 -248.45269 439.46949
6875.0000 -254.11980 -248.35225 5.76754 2.01763 -248.87173 440.16278
6880.0000 -253.43268 -248.55648 4.87620 2.04763 -248.22980 464.19109
6885.0000 -255.38691 -249.70152 5.68539 2.01813 -248.86096 445.72280
6890.0000 -254.74746 -249.09919 5.64827 2.01693 -248.88671 436.24209
6895.0000 -254.38710 -249.21934 5.16776 1.99588 -249.33717 424.97685
6900.0000 -255.18871 -249.83081 5.35790 1.96879 -249.91690 406.24071
6905.0000 -254.52762 -248.89353 5.63409 1.97537 -249.77613 413.96457
6910.0000 -254.25355 -248.10593 6.14761 2.04357 -248.31655 462.13340
6915.0000 -253.85835 -247.72576 6.13260 2.06628 -247.83053 470.86894
6920.0000 -254.75631 -248.65888 6.09742 2.05811 -248.00552 462.66439
6925.0000 -254.02993 -248.37938 5.65055 2.02269 -248.76341 441.91441
6930.0000 -254.61032 -249.57541 5.03491 2.02419 -248.73132 438.47644
6935.0000 -254.55376 -249.22324 5.33052 2.01034 -249.02766 421.63620
6940.0000 -253.38763 -247.78499 5.60264 2.02308 -248.75507 434.35914
6945.0000 -254.55346 -249.21606 5.33739 2.02263 -248.76479 440.48635
6950.0000 -254.14056 -248.97175 5.16881 1.97924 -249.69341 410.07085
6955.0000 -254.16043 -248.51434 5.64609 2.01828 -248.85777 432.07451
6960.0000 -254.35370 -249.08789 5.26581 2.00386 -249.16640 427.34226
6965.0000 -255.31913 -249.56973 5.74940 1.99071 -249.44778 424.55704
6970.0000 -254.60493 -249.37436 5.23057 1.98542 -249.56101 418.82237
6975.0000 -254.58467 -248.48928 6.09539 2.02038 -248.81295 451.99351
6980.0000 -254.96350 -248.61568 6.34781 2.01382 -248.95339 447.96052
6985.0000 -253.47366 -247.87250 5.60116 2.02622 -248.68795 454.26318
6990.0000 -253.77745 -248.27052 5.50693 2.04489 -248.28830 462.70357
6995.0000 -255.00380 -249.16002 5.84377 2.00687 -249.10192 434.08199
7000.0000 -255.25417 -249.19079 6.06338 2.01463 -248.93601 438.29903
FREEZING PROCESS: loop number 29 T-loop= 413.00000000000000
main_MD> interactions number 29 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69777 1.46313 1.17833
force_rgl> df(natom) 1.35203 -2.12270 -2.14451
7005.0000 -254.53885 -249.25390 5.28495 1.99515 -249.35285 428.20989
7010.0000 -255.15315 -249.18164 5.97151 2.01240 -248.98368 434.20231
7015.0000 -254.44782 -248.64127 5.80655 2.01233 -248.98508 425.03264
7020.0000 -254.26411 -248.74557 5.51854 2.03050 -248.59624 451.55807
7025.0000 -255.23371 -250.06559 5.16811 2.00175 -249.21167 438.50207
7030.0000 -256.18954 -250.13813 6.05140 1.94926 -250.33492 406.02210
7035.0000 -255.62559 -250.69950 4.92610 1.92073 -250.94551 380.41981
7040.0000 -255.43420 -250.28294 5.15126 1.92941 -250.75977 389.24372
7045.0000 -255.28517 -250.44607 4.83910 1.96242 -250.05317 404.98443
7050.0000 -255.26263 -249.90062 5.36202 1.96266 -250.04819 411.06950
7055.0000 -254.86341 -249.10615 5.75726 2.01670 -248.89173 440.02083
7060.0000 -254.92814 -249.78845 5.13970 2.00682 -249.10303 431.91440
7065.0000 -254.71962 -249.20566 5.51396 1.99027 -249.45736 423.09364
7070.0000 -255.82268 -250.45406 5.36862 1.96274 -250.04637 407.67543
7075.0000 -256.33464 -251.40320 4.93145 1.93394 -250.66279 388.45503
7080.0000 -255.38385 -250.57032 4.81353 1.91494 -251.06940 370.35173
7085.0000 -256.58118 -251.13581 5.44538 1.91538 -251.05992 377.31684
7090.0000 -255.98941 -251.04833 4.94108 1.93045 -250.73739 388.98657
7095.0000 -255.35319 -250.51296 4.84023 1.91213 -251.12949 376.33972
7100.0000 -254.97630 -249.73111 5.24519 1.94029 -250.52696 396.87484
7105.0000 -254.89010 -248.82879 6.06132 2.02178 -248.78294 447.90086
7110.0000 -254.57687 -248.94033 5.63654 1.99988 -249.25159 434.08547
7115.0000 -255.71259 -249.89805 5.81454 1.99280 -249.40310 429.77993
7120.0000 -255.37705 -250.06474 5.31232 1.96889 -249.91489 408.34471
7125.0000 -254.47697 -248.96947 5.50750 1.99761 -249.30012 429.22472
7130.0000 -254.84795 -249.29050 5.55745 1.99790 -249.29396 432.52037
7135.0000 -254.54216 -249.10129 5.44087 1.98836 -249.49809 426.92015
7140.0000 -255.63671 -249.78902 5.84768 1.96700 -249.95523 415.58581
7145.0000 -256.51812 -251.07581 5.44232 1.95274 -250.26041 413.29066
7150.0000 -255.79901 -250.26112 5.53789 1.92653 -250.82137 390.79213
7155.0000 -255.15131 -249.61642 5.53489 1.99012 -249.46042 433.49378
7160.0000 -256.28450 -251.17688 5.10762 1.93067 -250.73276 393.21961
7165.0000 -255.07871 -249.80491 5.27379 1.95145 -250.28794 401.67571
7170.0000 -255.86395 -250.95323 4.91072 1.93568 -250.62553 392.80390
7175.0000 -255.66228 -250.20949 5.45279 1.94855 -250.35000 396.47932
7180.0000 -255.62703 -250.92932 4.69771 1.94173 -250.49616 398.68718
7185.0000 -255.17157 -250.87375 4.29782 1.93943 -250.54528 393.31186
7190.0000 -255.59688 -250.87881 4.71807 1.93622 -250.61407 395.50866
7195.0000 -256.06137 -250.06345 5.99792 1.96374 -250.02512 416.09535
7200.0000 -255.50833 -250.06417 5.44417 1.98853 -249.49447 434.72749
7205.0000 -255.44966 -250.14064 5.30902 1.95646 -250.18074 408.07409
7210.0000 -255.43304 -250.41125 5.02179 1.98148 -249.64548 426.49756
7215.0000 -255.71628 -250.72561 4.99066 1.92690 -250.81336 384.91581
7220.0000 -256.02142 -250.90816 5.11327 1.93704 -250.59640 395.49490
7225.0000 -254.84712 -249.91738 4.92974 1.95617 -250.18705 410.92194
7230.0000 -255.50130 -250.70772 4.79358 1.94578 -250.40940 403.62418
7235.0000 -255.81271 -250.59317 5.21954 1.92635 -250.82515 388.42059
7240.0000 -255.98303 -250.76417 5.21886 1.93185 -250.70756 392.00699
7245.0000 -255.86345 -250.47782 5.38564 1.93529 -250.63389 396.35551
7250.0000 -255.17567 -250.33644 4.83923 1.96683 -249.95896 418.63114
FREEZING PROCESS: loop number 30 T-loop= 388.00000000000000
main_MD> interactions number 30 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05567 -0.42627 0.65788
force_rgl> df(natom) 1.11857 -0.13298 -0.17253
7255.0000 -255.80111 -251.32940 4.47172 1.94644 -250.39532 403.67773
7260.0000 -255.65958 -250.67448 4.98510 1.92740 -250.80268 390.97031
7265.0000 -255.40603 -250.60451 4.80152 1.92615 -250.82945 387.00765
7270.0000 -255.33424 -249.50308 5.83116 1.97492 -249.78575 424.57492
7275.0000 -255.01854 -249.39871 5.61983 1.99018 -249.45915 435.63628
7280.0000 -255.76741 -249.91064 5.85677 1.98468 -249.57692 427.70289
7285.0000 -256.29163 -251.63159 4.66005 1.92817 -250.78616 388.85120
7290.0000 -256.00722 -251.84781 4.15941 1.89046 -251.59322 361.79004
7295.0000 -256.15589 -251.42819 4.72770 1.90048 -251.37887 364.34664
7300.0000 -256.08920 -251.49142 4.59778 1.90206 -251.34494 368.11179
7305.0000 -255.84280 -251.01478 4.82801 1.89472 -251.50204 360.81829
7310.0000 -255.83488 -251.07456 4.76033 1.93522 -250.63534 389.56923
7315.0000 -256.24868 -251.78613 4.46255 1.90612 -251.25809 373.25869
7320.0000 -255.82840 -250.10825 5.72015 1.91754 -251.01375 383.32093
7325.0000 -255.30963 -250.21147 5.09816 1.95176 -250.28148 409.04613
7330.0000 -255.85457 -251.62782 4.22675 1.93271 -250.68916 389.92576
7335.0000 -255.38792 -250.34993 5.03799 1.90636 -251.25289 368.42180
7340.0000 -255.04294 -249.86729 5.17565 1.97285 -249.83011 421.24447
7345.0000 -255.87731 -250.89255 4.98476 1.94545 -250.41646 406.08698
7350.0000 -255.92746 -250.87637 5.05110 1.93036 -250.73944 390.69546
7355.0000 -256.55786 -251.70201 4.85586 1.90615 -251.25751 366.72065
7360.0000 -256.08486 -251.31910 4.76576 1.88893 -251.62596 353.13489
7365.0000 -255.27680 -251.17932 4.09748 1.92616 -250.82928 385.91097
7370.0000 -255.80017 -250.87544 4.92473 1.90997 -251.17567 373.27651
7375.0000 -256.30992 -252.04491 4.26502 1.89036 -251.59541 370.88349
7380.0000 -256.27996 -251.01924 5.26072 1.89322 -251.53416 376.80608
7385.0000 -255.79003 -250.60244 5.18759 1.92220 -250.91410 403.39980
7390.0000 -256.75538 -251.47479 5.28058 1.90216 -251.34280 380.32030
7395.0000 -256.03740 -251.80052 4.23688 1.87996 -251.81791 367.97482
7400.0000 -256.48467 -251.27346 5.21121 1.89326 -251.53336 376.42830
7405.0000 -255.88706 -251.51000 4.37706 1.89505 -251.49500 375.61135
7410.0000 -256.61030 -251.43329 5.17701 1.88372 -251.73746 365.25889
7415.0000 -256.71452 -251.48606 5.22846 1.90043 -251.37990 379.60058
7420.0000 -256.63501 -251.94098 4.69404 1.88716 -251.66386 371.44483
7425.0000 -256.21401 -251.06128 5.15273 1.90995 -251.17613 388.05556
7430.0000 -255.29582 -250.18063 5.11519 1.92863 -250.77632 402.21567
7435.0000 -255.87514 -250.95249 4.92265 1.92985 -250.75023 401.10814
7440.0000 -256.46802 -251.61239 4.85563 1.90616 -251.25727 384.58685
7445.0000 -255.44943 -251.08928 4.36015 1.89586 -251.47776 380.14278
7450.0000 -256.50011 -251.86195 4.63816 1.88229 -251.76800 365.84869
7455.0000 -256.26448 -251.73339 4.53108 1.88914 -251.62153 367.50861
7460.0000 -256.40365 -251.59439 4.80926 1.89539 -251.48783 372.15904
7465.0000 -255.82365 -250.60558 5.21807 1.90022 -251.38440 374.87558
7470.0000 -255.33123 -250.56209 4.76914 1.92787 -250.79273 378.35214
7475.0000 -256.97065 -251.48634 5.48431 1.94546 -250.41614 405.51399
7480.0000 -256.45333 -251.77393 4.67940 1.89336 -251.53115 384.56839
7485.0000 -257.20060 -251.34825 5.85236 1.89615 -251.47141 392.11207
7490.0000 -256.94305 -251.81006 5.13299 1.90706 -251.23810 395.48721
7495.0000 -256.42080 -251.79157 4.62923 1.89274 -251.54455 383.51505
7500.0000 -256.53810 -251.99854 4.53956 1.88237 -251.76638 375.18029
FREEZING PROCESS: loop number 31 T-loop= 363.00000000000000
main_MD> interactions number 31 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79141 -1.08856 1.65141
force_rgl> df(natom) 1.42216 2.94556 1.28904
7505.0000 -256.81813 -252.31286 4.50527 1.85588 -252.33320 360.02778
7510.0000 -256.48272 -251.86972 4.61300 1.87494 -251.92546 376.76119
7515.0000 -256.20270 -251.68074 4.52196 1.88169 -251.78094 377.42005
7520.0000 -256.28988 -251.99199 4.29789 1.86353 -252.16957 360.67528
7525.0000 -256.33786 -251.96970 4.36816 1.89476 -251.50118 385.83678
7530.0000 -256.81419 -251.67412 5.14006 1.87565 -251.91014 375.58365
7535.0000 -256.67537 -252.30706 4.36831 1.87716 -251.87796 375.64151
7540.0000 -256.74258 -251.54484 5.19774 1.86494 -252.13944 366.47718
7545.0000 -256.97816 -252.18394 4.79422 1.86761 -252.08224 364.66445
7550.0000 -257.44551 -252.70873 4.73678 1.86179 -252.20691 362.93030
7555.0000 -256.64590 -252.21875 4.42715 1.83451 -252.79063 341.56157
7560.0000 -257.38298 -253.08711 4.29586 1.84063 -252.65972 345.79274
7565.0000 -256.71058 -252.15792 4.55266 1.85621 -252.32632 356.85471
7570.0000 -257.15314 -252.56474 4.58840 1.86037 -252.23714 357.55726
7575.0000 -256.92249 -252.13630 4.78619 1.86241 -252.19355 360.03601
7580.0000 -256.65046 -251.80461 4.84585 1.85857 -252.27575 359.43677
7585.0000 -256.93910 -252.62837 4.31073 1.86049 -252.23456 359.83606
7590.0000 -256.62510 -251.71272 4.91238 1.86282 -252.18482 364.61620
7595.0000 -256.71339 -252.49657 4.21682 1.87589 -251.90502 374.81001
7600.0000 -256.56146 -251.90093 4.66053 1.87564 -251.91034 375.44220
7605.0000 -256.12852 -250.85964 5.26888 1.91496 -251.06892 403.38271
7610.0000 -256.45474 -251.74885 4.70590 1.91012 -251.17257 400.09588
7615.0000 -256.33579 -252.03884 4.29694 1.87069 -252.01629 368.72034
7620.0000 -256.81455 -251.98047 4.83408 1.87865 -251.84598 375.82225
7625.0000 -257.07264 -251.81250 5.26013 1.86413 -252.15668 357.80591
7630.0000 -256.76224 -252.05989 4.70236 1.87295 -251.96793 373.56034
7635.0000 -256.47185 -251.13647 5.33538 1.88228 -251.76834 378.25180
7640.0000 -256.94317 -251.70891 5.23426 1.88965 -251.61058 382.94062
7645.0000 -256.79584 -251.97373 4.82211 1.86908 -252.05072 367.10026
7650.0000 -256.56123 -252.41606 4.14517 1.86307 -252.17940 361.21864
7655.0000 -257.71364 -253.24044 4.47320 1.83792 -252.71769 346.63689
7660.0000 -256.61798 -252.21403 4.40394 1.85052 -252.44789 355.62127
7665.0000 -255.73437 -251.64277 4.09160 1.89141 -251.57296 384.32201
7670.0000 -256.63382 -252.05538 4.57844 1.87756 -251.86931 372.56465
7675.0000 -257.15975 -252.54232 4.61742 1.86372 -252.16544 362.48742
7680.0000 -256.34349 -252.11537 4.22812 1.85304 -252.39403 356.22043
7685.0000 -256.77865 -252.22381 4.55485 1.84917 -252.47680 350.21189
7690.0000 -256.20208 -250.59323 5.60884 1.89167 -251.56741 386.01959
7695.0000 -256.51392 -251.53224 4.98168 1.91256 -251.12033 401.06998
7700.0000 -256.42428 -250.93200 5.49229 1.89608 -251.47307 389.56553
7705.0000 -255.77349 -250.51337 5.26012 1.93958 -250.54204 421.01138
7710.0000 -256.31639 -251.75168 4.56472 1.90702 -251.23887 398.15610
7715.0000 -256.96560 -252.07346 4.89214 1.90145 -251.35796 389.96576
7720.0000 -257.48053 -252.75159 4.72894 1.85308 -252.39313 354.90886
7725.0000 -256.36079 -251.84157 4.51922 1.84863 -252.48840 356.55945
7730.0000 -256.30143 -251.71737 4.58407 1.86297 -252.18158 365.16041
7735.0000 -256.58579 -251.87138 4.71441 1.87974 -251.82267 374.87315
7740.0000 -256.50455 -252.26195 4.24260 1.89232 -251.55337 387.44462
7745.0000 -256.91968 -252.83376 4.08592 1.85496 -252.35293 355.03896
7750.0000 -257.00271 -252.56087 4.44184 1.85667 -252.31639 358.42922
FREEZING PROCESS: loop number 32 T-loop= 338.00000000000000
main_MD> interactions number 32 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15272 -2.55439 0.62495
force_rgl> df(natom) -0.25279 3.87729 -0.82657
7755.0000 -257.49179 -252.75363 4.73815 1.83810 -252.71388 344.39389
7760.0000 -257.01935 -253.00809 4.01126 1.80952 -253.32544 324.15100
7765.0000 -257.49148 -252.61011 4.88138 1.83896 -252.69529 343.98188
7770.0000 -256.47258 -252.43811 4.03447 1.85757 -252.29702 358.98482
7775.0000 -257.20349 -252.89078 4.31271 1.83236 -252.83666 337.90425
7780.0000 -257.09244 -252.68075 4.41170 1.83833 -252.70896 345.96938
7785.0000 -257.13123 -252.94491 4.18632 1.82744 -252.94185 335.33571
7790.0000 -256.89246 -252.84755 4.04491 1.81958 -253.11023 328.87226
7795.0000 -257.60005 -252.55844 5.04161 1.82259 -253.04562 332.30876
7800.0000 -257.52319 -253.33739 4.18580 1.81116 -253.29042 323.04042
7805.0000 -257.07484 -252.48333 4.59150 1.83634 -252.75139 344.52447
7810.0000 -256.57068 -251.96599 4.60469 1.85489 -252.35453 355.68015
7815.0000 -257.12268 -252.63831 4.48437 1.86229 -252.19600 360.99658
7820.0000 -257.18402 -252.75919 4.42483 1.83871 -252.70065 343.63875
7825.0000 -257.60284 -253.70687 3.89597 1.82277 -253.04191 332.71665
7830.0000 -257.28243 -253.25650 4.02593 1.80924 -253.33132 320.79075
7835.0000 -257.20967 -253.47680 3.73287 1.81818 -253.14012 327.71664
7840.0000 -257.51591 -253.33542 4.18049 1.80545 -253.41244 318.67789
7845.0000 -257.27649 -253.33524 3.94125 1.81814 -253.14087 326.45500
7850.0000 -257.06197 -253.30702 3.75495 1.80144 -253.49825 315.98115
7855.0000 -256.77272 -252.52201 4.25071 1.83953 -252.68309 344.67528
7860.0000 -257.16837 -252.91237 4.25600 1.82435 -253.00801 332.99383
7865.0000 -257.56276 -253.25239 4.31036 1.81761 -253.15222 327.35159
7870.0000 -256.90926 -252.76979 4.13947 1.82822 -252.92516 337.17651
7875.0000 -257.04023 -252.89288 4.14735 1.83202 -252.84382 339.86624
7880.0000 -257.07435 -252.96170 4.11265 1.81609 -253.18479 326.80339
7885.0000 -256.91143 -253.10486 3.80657 1.80627 -253.39502 321.09596
7890.0000 -257.68784 -252.84800 4.83984 1.82907 -252.90707 335.48304
7895.0000 -257.32147 -253.02127 4.30020 1.83981 -252.67714 344.51831
7900.0000 -257.24845 -253.12433 4.12412 1.81503 -253.20754 328.65294
7905.0000 -256.37606 -251.79216 4.58390 1.83815 -252.71282 343.56465
7910.0000 -256.89111 -252.47761 4.41350 1.84626 -252.53907 348.69078
7915.0000 -256.95098 -252.18394 4.76704 1.86639 -252.10846 368.03888
7920.0000 -257.16377 -252.73455 4.42923 1.85921 -252.26203 361.71893
7925.0000 -256.90581 -252.43355 4.47226 1.84256 -252.61840 349.09494
7930.0000 -257.50444 -253.63716 3.86729 1.83161 -252.85258 339.68901
7935.0000 -257.52216 -253.19188 4.33028 1.80043 -253.52004 314.30812
7940.0000 -257.13147 -252.67962 4.45185 1.83757 -252.72509 345.01891
7945.0000 -257.35160 -252.10973 5.24187 1.84550 -252.55543 350.47352
7950.0000 -256.48348 -251.52755 4.95593 1.86685 -252.09850 365.48736
7955.0000 -256.60395 -252.48574 4.11821 1.85167 -252.42330 353.20778
7960.0000 -257.45571 -252.45107 5.00463 1.84601 -252.54458 350.72705
7965.0000 -257.58033 -253.75213 3.82820 1.81059 -253.30261 324.83217
7970.0000 -257.65724 -253.45055 4.20669 1.79195 -253.70137 308.93106
7975.0000 -256.87951 -253.15141 3.72810 1.81280 -253.25513 323.40642
7980.0000 -257.09317 -252.73137 4.36180 1.81514 -253.20521 327.23179
7985.0000 -256.60534 -252.11034 4.49501 1.86206 -252.20098 362.12481
7990.0000 -257.25380 -252.38602 4.86778 1.86003 -252.24451 358.97641
7995.0000 -257.10756 -252.95512 4.15244 1.83269 -252.82967 337.52013
8000.0000 -257.63016 -253.51427 4.11588 1.81298 -253.25131 324.23356
FREEZING PROCESS: loop number 33 T-loop= 313.00000000000000
main_MD> interactions number 33 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86114 -2.04361 0.21619
force_rgl> df(natom) -1.81804 2.98593 -4.66612
8005.0000 -257.94214 -253.73878 4.20336 1.76108 -254.36211 285.30034
8010.0000 -258.13595 -254.13612 3.99983 1.77719 -254.01736 295.80679
8015.0000 -257.68583 -253.55085 4.13498 1.78646 -253.81891 302.76498
8020.0000 -257.27666 -252.98531 4.29136 1.79879 -253.55505 313.89958
8025.0000 -257.23847 -253.20418 4.03429 1.80470 -253.42856 317.54709
8030.0000 -257.49290 -253.36383 4.12907 1.80262 -253.47299 318.06269
8035.0000 -257.72571 -254.43940 3.28631 1.77554 -254.05268 294.63536
8040.0000 -257.24063 -252.88847 4.35215 1.79139 -253.71340 307.20990
8045.0000 -257.11953 -252.99007 4.12946 1.81566 -253.19403 326.41418
8050.0000 -257.38640 -252.62549 4.76090 1.82208 -253.05656 331.62901
8055.0000 -257.64036 -253.43963 4.20072 1.82541 -252.98530 335.56227
8060.0000 -257.30832 -253.04309 4.26524 1.82303 -253.03620 330.15127
8065.0000 -257.70996 -253.43528 4.27468 1.81134 -253.28645 325.33247
8070.0000 -257.54637 -253.75341 3.79296 1.80759 -253.36670 320.32059
8075.0000 -257.85773 -253.62103 4.23671 1.79949 -253.54013 317.00553
8080.0000 -257.48259 -253.39228 4.09032 1.80412 -253.44096 318.61871
8085.0000 -257.54586 -253.02933 4.51653 1.80249 -253.47584 314.42014
8090.0000 -258.22518 -254.15955 4.06563 1.79902 -253.55013 310.47314
8095.0000 -257.87496 -254.11175 3.76321 1.78246 -253.90453 300.00244
8100.0000 -257.32486 -253.46097 3.86389 1.78049 -253.94658 297.53660
8105.0000 -257.25051 -253.18467 4.06584 1.81052 -253.30408 321.87240
8110.0000 -257.60085 -253.49416 4.10669 1.80975 -253.32042 322.28879
8115.0000 -257.73493 -253.37539 4.35954 1.79179 -253.70485 308.28983
8120.0000 -257.75734 -254.29872 3.45862 1.78988 -253.74572 304.35252
8125.0000 -257.86759 -253.80135 4.06624 1.77162 -254.13648 290.43099
8130.0000 -257.89667 -253.71382 4.18285 1.78268 -253.89981 298.48184
8135.0000 -257.09945 -252.91960 4.17985 1.79967 -253.53614 310.55440
8140.0000 -257.23979 -253.17550 4.06428 1.81354 -253.23928 324.27332
8145.0000 -256.94998 -253.22693 3.72305 1.81232 -253.26550 321.55139
8150.0000 -257.85433 -253.70062 4.15371 1.80927 -253.33083 317.83070
8155.0000 -257.25906 -253.36335 3.89571 1.79538 -253.62795 307.93894
8160.0000 -257.44844 -253.84508 3.60336 1.78302 -253.89252 297.42321
8165.0000 -257.77536 -253.94148 3.83388 1.77922 -253.97391 295.95240
8170.0000 -257.93838 -253.81641 4.12198 1.78504 -253.84928 300.98816
8175.0000 -257.85697 -253.89733 3.95963 1.77807 -253.99837 298.15540
8180.0000 -258.37340 -254.87067 3.50273 1.75245 -254.54663 275.30695
8185.0000 -257.83742 -254.37852 3.45890 1.76012 -254.38265 280.42040
8190.0000 -257.84400 -253.87342 3.97058 1.78262 -253.90115 298.49922
8195.0000 -257.65427 -253.86088 3.79339 1.78602 -253.82831 299.53834
8200.0000 -257.38005 -252.77035 4.60970 1.84137 -252.64383 346.07869
8205.0000 -257.78553 -253.56162 4.22391 1.81565 -253.19414 325.41030
8210.0000 -257.28512 -253.58255 3.70258 1.79808 -253.57015 311.01753
8215.0000 -257.81365 -253.75113 4.06252 1.78823 -253.78112 303.24404
8220.0000 -257.57944 -253.99679 3.58266 1.77071 -254.15602 288.61681
8225.0000 -257.88118 -253.90325 3.97793 1.77500 -254.06419 293.30956
8230.0000 -257.30084 -253.52491 3.77593 1.79920 -253.54619 313.66497
8235.0000 -257.39035 -253.16410 4.22625 1.80546 -253.41225 320.39121
8240.0000 -257.84668 -253.48675 4.35992 1.80009 -253.52725 309.80874
8245.0000 -258.02143 -254.12227 3.89917 1.77269 -254.11365 289.38459
8250.0000 -257.44395 -253.75603 3.68792 1.78408 -253.86975 300.14812
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 16 [min], 3.8685452 [s].
main_MD> Deallocating global variables
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