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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_22/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_22.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 = 22 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1500
main_MD> Size of nv and nvoiz: 22 2200
main_MD> Size of nv and nvoiz: 22 2200
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 = 22
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> 6.5757723711105859E-002 -4.2638983947037315E-002 -0.22242057405666446 initial drift of cluster / NP1 for coalescence
init> 0.45164823093071454 0.41412981153591721 0.27649762982645804 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.4806789862902592E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.01819 1.56513 0.79825
force_rgl> df(natom) 0.87668 -0.03664 -1.38796
preparo> THERMALIZATION PROCESS AT 1052.0151704462974
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -48.261162120701371 1.9155634156121524 -50.176725536313526 4.9113902027002278E-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 30
FREEZING PROCESS: loop number 1 T-loop= 1026.0000000000000
main_MD> interactions number 1 at Temperature= 1026.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.88507 -0.76150 0.77731
force_rgl> df(natom) 3.48909 3.36219 3.21677
5.0000 -50.45171 -47.53904 2.91267 2.20669 -47.57437 930.66737
10.0000 -50.33040 -47.50278 2.82763 2.27148 -47.06567 951.69762
15.0000 -50.01433 -47.00552 3.00882 2.29712 -46.86433 981.45616
20.0000 -50.69248 -47.72417 2.96831 2.27043 -47.07386 952.22063
25.0000 -49.45385 -46.70634 2.74751 2.23655 -47.33988 981.75950
30.0000 -50.23763 -47.54452 2.69311 2.31658 -46.71158 1013.42797
35.0000 -49.54438 -46.19710 3.34728 2.24430 -47.27903 925.72179
40.0000 -50.02497 -47.03102 2.99395 2.38364 -46.18502 1005.82854
45.0000 -49.49015 -45.46703 4.02312 2.31988 -46.68563 1054.53741
50.0000 -49.33223 -46.30048 3.03176 2.39820 -46.07073 1070.54025
55.0000 -48.96441 -45.47872 3.48568 2.53034 -45.03321 1189.18077
60.0000 -49.55505 -45.87217 3.68288 2.47822 -45.44242 1171.77383
65.0000 -49.72124 -46.11234 3.60890 2.38813 -46.14979 1044.08959
70.0000 -49.35249 -45.79999 3.55250 2.39654 -46.08373 1106.24416
75.0000 -48.93627 -45.70670 3.22957 2.48741 -45.37031 1182.83280
80.0000 -49.63070 -46.14875 3.48195 2.35917 -46.37718 1097.55363
85.0000 -49.81398 -47.02336 2.79062 2.28428 -46.96512 1008.60160
90.0000 -49.99291 -47.63593 2.35699 2.21764 -47.48839 887.70237
95.0000 -49.84975 -46.43312 3.41663 2.34938 -46.45403 1057.16943
100.0000 -49.64295 -46.12023 3.52272 2.38755 -46.15434 1044.98784
105.0000 -49.26883 -46.10221 3.16662 2.38153 -46.20160 1131.13572
110.0000 -48.99709 -46.43387 2.56323 2.34437 -46.49336 1024.72357
115.0000 -49.69422 -46.21312 3.48111 2.33149 -46.59446 1016.16563
120.0000 -48.45805 -45.31218 3.14587 2.41045 -45.97450 1056.54691
125.0000 -48.47592 -45.30548 3.17044 2.51868 -45.12479 1226.76036
130.0000 -48.54249 -44.76539 3.77710 2.58857 -44.57601 1273.31246
135.0000 -49.25873 -45.69708 3.56165 2.45666 -45.61173 1154.19225
140.0000 -49.10845 -45.81214 3.29631 2.45114 -45.65503 1165.39946
145.0000 -49.40890 -46.96445 2.44445 2.37995 -46.21403 1064.09324
150.0000 -49.68739 -46.39002 3.29737 2.28959 -46.92349 982.10361
155.0000 -49.02216 -45.37272 3.64944 2.38757 -46.15414 1062.40348
160.0000 -48.58983 -44.79204 3.79778 2.58174 -44.62967 1199.91396
165.0000 -48.16822 -44.94800 3.22022 2.53851 -44.96909 1201.57658
170.0000 -50.42147 -46.55661 3.86486 2.42868 -45.83141 1141.94641
175.0000 -49.91942 -47.32938 2.59005 2.20645 -47.57626 875.51182
180.0000 -49.03185 -45.69371 3.33814 2.29124 -46.91047 994.46350
185.0000 -48.72828 -45.61309 3.11519 2.48296 -45.40519 1165.11789
190.0000 -48.96601 -46.32234 2.64367 2.38979 -46.13673 1108.73950
195.0000 -49.69705 -46.96612 2.73093 2.32270 -46.66352 956.44173
200.0000 -48.95270 -46.14396 2.80874 2.36967 -46.29471 1075.75920
205.0000 -49.74333 -45.67822 4.06511 2.37168 -46.27894 1079.35129
210.0000 -49.34167 -46.48680 2.85487 2.39219 -46.11791 1052.71516
215.0000 -50.63303 -47.47965 3.15337 2.24942 -47.23886 967.03705
220.0000 -50.81248 -47.89119 2.92129 2.18063 -47.77891 897.98725
225.0000 -50.04506 -47.72223 2.32283 2.16030 -47.93856 804.19949
230.0000 -50.42493 -47.79823 2.62669 2.14533 -48.05607 839.20603
235.0000 -49.00594 -46.18790 2.81805 2.30767 -46.78148 1036.35429
240.0000 -49.59952 -46.03808 3.56144 2.35806 -46.38587 993.15576
245.0000 -49.56359 -47.00829 2.55530 2.33073 -46.60042 979.45286
250.0000 -50.00658 -46.86421 3.14237 2.27232 -47.05905 999.57464
FREEZING PROCESS: loop number 2 T-loop= 1001.0000000000000
main_MD> interactions number 2 at Temperature= 1001.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26717 2.80435 1.46366
force_rgl> df(natom) -5.38038 0.54864 0.17503
255.0000 -50.39561 -46.75476 3.64085 2.32594 -46.63802 958.81448
260.0000 -49.89913 -46.80909 3.09005 2.34073 -46.52197 1057.59016
265.0000 -49.09359 -46.46501 2.62858 2.36882 -46.30142 1077.12585
270.0000 -49.41578 -46.41729 2.99849 2.37335 -46.26582 1068.51873
275.0000 -48.44109 -45.41784 3.02325 2.41403 -45.94646 1091.43548
280.0000 -48.75794 -45.13828 3.61966 2.44479 -45.70494 1133.81146
285.0000 -49.38371 -45.98184 3.40187 2.48721 -45.37188 1176.53335
290.0000 -48.89257 -46.29522 2.59735 2.34443 -46.49290 1016.75326
295.0000 -49.55328 -46.00404 3.54925 2.40191 -46.04162 1036.82658
300.0000 -49.91945 -47.04874 2.87071 2.24202 -47.29696 922.50959
305.0000 -50.10569 -47.67812 2.42758 2.24173 -47.29919 963.99472
310.0000 -49.80584 -47.04356 2.76228 2.23488 -47.35303 978.00517
315.0000 -50.13642 -47.17448 2.96194 2.25129 -47.22419 931.10028
320.0000 -50.18118 -46.96474 3.21644 2.26443 -47.12096 968.58986
325.0000 -49.30001 -46.87887 2.42114 2.32449 -46.64946 1021.84972
330.0000 -49.64270 -47.26104 2.38166 2.30254 -46.82179 985.06337
335.0000 -49.84232 -47.05102 2.79130 2.32601 -46.63754 1048.34558
340.0000 -49.51940 -46.23458 3.28482 2.28529 -46.95721 970.80276
345.0000 -49.48461 -46.86752 2.61709 2.43832 -45.75571 1076.96790
350.0000 -49.81620 -46.68844 3.12776 2.38390 -46.18302 1076.93912
355.0000 -48.97369 -46.17768 2.79602 2.35667 -46.39682 1041.71702
360.0000 -49.08193 -46.08612 2.99581 2.42710 -45.84384 1138.54672
365.0000 -48.52769 -46.27536 2.25234 2.32719 -46.62828 1012.06534
370.0000 -47.99174 -45.07306 2.91869 2.39289 -46.11241 1081.91379
375.0000 -49.79937 -46.38698 3.41238 2.43083 -45.81449 1073.94758
380.0000 -49.31579 -46.42751 2.88828 2.34364 -46.49906 1116.84065
385.0000 -47.93232 -45.71086 2.22146 2.37710 -46.23635 1030.71921
390.0000 -47.64188 -44.75288 2.88900 2.48650 -45.37745 1176.07994
395.0000 -49.88459 -45.61443 4.27016 2.48274 -45.40692 1187.95081
400.0000 -49.10128 -46.89913 2.20215 2.30171 -46.82828 981.40733
405.0000 -50.55313 -47.78885 2.76428 2.22892 -47.39981 922.81837
410.0000 -49.66741 -46.47919 3.18822 2.24229 -47.29486 915.19654
415.0000 -49.35165 -45.81817 3.53348 2.35198 -46.43362 1059.15309
420.0000 -49.07756 -45.86264 3.21492 2.42576 -45.85435 1138.86375
425.0000 -49.67770 -46.94448 2.73322 2.32509 -46.64472 1042.63341
430.0000 -49.58791 -46.65659 2.93132 2.37536 -46.25007 1081.21585
435.0000 -49.31595 -47.19538 2.12058 2.28842 -46.93267 935.38583
440.0000 -50.07413 -47.95254 2.12159 2.27899 -47.00668 895.96518
445.0000 -49.92500 -46.27089 3.65411 2.22055 -47.46549 869.43268
450.0000 -48.39558 -45.31485 3.08073 2.45216 -45.64702 1148.86185
455.0000 -49.19131 -46.82174 2.36957 2.30536 -46.79967 995.05570
460.0000 -49.88123 -46.87219 3.00904 2.27417 -47.04449 944.75554
465.0000 -49.65863 -46.94939 2.70923 2.40707 -46.00108 1089.61102
470.0000 -48.66370 -45.68018 2.98352 2.42879 -45.83050 1137.90613
475.0000 -50.28566 -46.09748 4.18818 2.37779 -46.23099 1063.89981
480.0000 -48.52613 -45.47130 3.05483 2.35908 -46.37783 1091.03613
485.0000 -49.40786 -46.37199 3.03587 2.43572 -45.77615 1141.45700
490.0000 -49.64686 -46.13217 3.51469 2.38272 -46.19226 1024.79234
495.0000 -50.09859 -47.26957 2.82902 2.33226 -46.58846 1060.11071
500.0000 -50.37474 -46.98671 3.38803 2.20484 -47.58890 942.11208
FREEZING PROCESS: loop number 3 T-loop= 976.00000000000000
main_MD> interactions number 3 at Temperature= 976.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72544 2.06982 -0.97493
force_rgl> df(natom) -1.36750 1.64895 3.98572
505.0000 -49.23943 -46.36448 2.87496 2.33755 -46.54688 1046.01218
510.0000 -48.42540 -45.43550 2.98990 2.38322 -46.18830 1021.62660
515.0000 -47.57900 -44.60685 2.97215 2.50894 -45.20121 1196.31032
520.0000 -49.14741 -46.36991 2.77751 2.51469 -45.15613 1189.03052
525.0000 -49.62445 -46.62419 3.00027 2.39318 -46.11013 1115.84244
530.0000 -49.69101 -47.68959 2.00143 2.24975 -47.23623 915.57604
535.0000 -49.17187 -46.64171 2.53016 2.28016 -46.99750 951.61106
540.0000 -49.01811 -46.10882 2.90928 2.42591 -45.85313 1074.26462
545.0000 -48.32473 -44.91835 3.40638 2.40132 -46.04625 1033.78521
550.0000 -48.52756 -45.59898 2.92858 2.50048 -45.26770 1160.09639
555.0000 -49.65997 -45.53920 4.12077 2.31221 -46.74589 963.02070
560.0000 -48.36896 -46.26116 2.10780 2.43050 -45.81712 1128.27897
565.0000 -49.41660 -46.95426 2.46234 2.29650 -46.86920 988.80781
570.0000 -49.48846 -46.56022 2.92824 2.25949 -47.15979 937.76902
575.0000 -49.15482 -46.44196 2.71285 2.32188 -46.66991 1014.99461
580.0000 -49.67815 -46.71995 2.95820 2.26840 -47.08984 901.15746
585.0000 -49.35976 -46.97527 2.38449 2.32166 -46.67165 985.90334
590.0000 -49.33639 -46.00724 3.32915 2.39497 -46.09606 1052.45434
595.0000 -49.89527 -47.17738 2.71789 2.32839 -46.61878 1044.80976
600.0000 -49.17013 -46.86534 2.30479 2.23981 -47.31428 939.92705
605.0000 -50.35234 -47.28344 3.06890 2.22390 -47.43923 877.77900
610.0000 -50.05841 -47.23343 2.82498 2.21786 -47.48663 890.60425
615.0000 -50.14146 -47.35678 2.78468 2.25868 -47.16613 938.89225
620.0000 -48.71004 -46.08163 2.62841 2.27714 -47.02124 1000.83744
625.0000 -49.28642 -46.11303 3.17339 2.45533 -45.62217 1135.91613
630.0000 -49.70064 -46.87935 2.82129 2.29139 -46.90931 998.97675
635.0000 -49.37511 -46.88998 2.48513 2.27742 -47.01902 968.89229
640.0000 -49.92583 -47.17112 2.75471 2.29290 -46.89748 990.79691
645.0000 -51.02104 -47.88299 3.13805 2.19685 -47.65159 906.98971
650.0000 -50.12347 -47.37822 2.74525 2.26202 -47.13990 957.21035
655.0000 -49.40960 -46.92665 2.48295 2.30402 -46.81018 1005.37748
660.0000 -49.14772 -46.17481 2.97291 2.36885 -46.30113 1041.65852
665.0000 -49.74939 -46.18025 3.56914 2.34526 -46.48637 1000.14109
670.0000 -49.58525 -46.17032 3.41493 2.37164 -46.27927 1065.10827
675.0000 -49.39257 -46.99303 2.39954 2.32798 -46.62202 1007.14313
680.0000 -50.69515 -48.52230 2.17285 2.15223 -48.00196 862.85510
685.0000 -50.01224 -47.59599 2.41625 2.17465 -47.82589 857.33008
690.0000 -49.64097 -46.39222 3.24876 2.26057 -47.15131 943.52061
695.0000 -48.36775 -45.51086 2.85690 2.35095 -46.44171 1025.01432
700.0000 -48.77013 -46.39396 2.37616 2.47002 -45.50679 1105.62977
705.0000 -49.43746 -46.65680 2.78066 2.32331 -46.65868 954.49023
710.0000 -49.49531 -46.52879 2.96653 2.38049 -46.20973 1101.95413
715.0000 -49.37845 -46.14606 3.23240 2.40540 -46.01419 1024.65871
720.0000 -49.55116 -46.43872 3.11244 2.39904 -46.06414 1038.68105
725.0000 -48.70226 -45.52951 3.17275 2.42824 -45.83486 1165.65070
730.0000 -50.76541 -47.22206 3.54335 2.30581 -46.79610 1012.19489
735.0000 -50.63006 -47.71574 2.91433 2.24195 -47.29749 1035.47867
740.0000 -50.06774 -47.06937 2.99837 2.26166 -47.14275 991.96195
745.0000 -48.07338 -45.87393 2.19945 2.37961 -46.21666 1087.98236
750.0000 -49.23502 -45.51645 3.71856 2.43656 -45.76950 1128.88884
FREEZING PROCESS: loop number 4 T-loop= 951.00000000000000
main_MD> interactions number 4 at Temperature= 951.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.30109 4.05950 -0.20783
force_rgl> df(natom) -5.10125 0.75819 6.21826
755.0000 -48.56055 -46.14838 2.41216 2.38889 -46.14384 1078.62696
760.0000 -48.79107 -45.98231 2.80877 2.40809 -45.99303 1091.57219
765.0000 -49.22703 -46.23471 2.99232 2.42888 -45.82983 1117.63989
770.0000 -48.95783 -46.45739 2.50044 2.36979 -46.29380 1010.15790
775.0000 -49.76918 -47.03116 2.73802 2.33141 -46.59511 984.34818
780.0000 -50.96793 -47.58807 3.37986 2.21368 -47.51948 898.95102
785.0000 -49.77150 -47.58125 2.19025 2.15885 -47.94999 862.11219
790.0000 -50.43128 -47.90922 2.52206 2.22240 -47.45096 891.09792
795.0000 -50.54258 -47.94137 2.60121 2.25750 -47.17542 980.93333
800.0000 -50.42402 -47.25113 3.17289 2.21510 -47.50834 894.59582
805.0000 -50.36208 -46.23495 4.12713 2.36061 -46.36584 1095.68367
810.0000 -49.23072 -46.18718 3.04354 2.33980 -46.52923 1042.73880
815.0000 -48.87536 -46.05687 2.81849 2.34375 -46.49824 985.04860
820.0000 -49.10907 -45.45624 3.65283 2.41143 -45.96684 1091.50461
825.0000 -49.00831 -46.45812 2.55019 2.46147 -45.57399 1130.21905
830.0000 -49.40878 -46.34758 3.06120 2.31171 -46.74982 976.47899
835.0000 -50.21143 -47.04581 3.16561 2.29383 -46.89014 962.01086
840.0000 -49.84492 -46.61897 3.22595 2.32620 -46.63605 967.24133
845.0000 -50.26247 -47.86065 2.40182 2.27752 -47.01825 960.01140
850.0000 -50.49195 -48.12032 2.37163 2.10261 -48.39154 784.92081
855.0000 -51.12215 -48.92386 2.19829 2.06947 -48.65172 758.07555
860.0000 -51.03648 -48.47025 2.56623 2.07510 -48.60747 776.61774
865.0000 -50.02513 -47.42466 2.60047 2.20231 -47.60871 912.14861
870.0000 -50.84661 -48.39953 2.44708 2.11178 -48.31952 827.11080
875.0000 -50.12584 -46.86343 3.26240 2.19086 -47.69865 868.18125
880.0000 -49.83445 -47.53404 2.30041 2.25421 -47.20124 919.01414
885.0000 -50.44889 -47.33568 3.11321 2.26164 -47.14294 1020.23020
890.0000 -49.76053 -47.16432 2.59621 2.24849 -47.24613 949.25617
895.0000 -49.23865 -46.21021 3.02843 2.34073 -46.52196 1018.99223
900.0000 -50.41285 -47.79747 2.61538 2.30534 -46.79980 985.41335
905.0000 -50.46681 -47.11263 3.35418 2.18578 -47.73851 908.31861
910.0000 -49.54268 -47.04787 2.49482 2.27291 -47.05441 893.71931
915.0000 -49.55782 -46.47941 3.07841 2.22957 -47.39469 890.04669
920.0000 -50.31406 -47.93370 2.38036 2.21953 -47.47350 904.33764
925.0000 -50.29921 -47.24315 3.05606 2.21522 -47.50734 923.75164
930.0000 -48.78581 -45.82056 2.96525 2.33153 -46.59418 1067.43604
935.0000 -49.30193 -46.72000 2.58193 2.38775 -46.15279 1065.98806
940.0000 -49.41821 -46.44161 2.97660 2.35442 -46.41442 1021.48089
945.0000 -50.36235 -48.72961 1.63274 2.22172 -47.45632 930.40892
950.0000 -50.50314 -48.22138 2.28175 2.07035 -48.64482 772.18463
955.0000 -50.03157 -47.43841 2.59316 2.16963 -47.86530 894.94508
960.0000 -49.48668 -47.40848 2.07820 2.18547 -47.74094 826.73536
965.0000 -50.67070 -47.44623 3.22447 2.16876 -47.87216 817.42263
970.0000 -49.67024 -47.10704 2.56320 2.22724 -47.41297 917.11481
975.0000 -49.89468 -47.09279 2.80189 2.33817 -46.54204 978.81245
980.0000 -50.05062 -46.66018 3.39043 2.27829 -47.01217 977.81390
985.0000 -49.62437 -47.64427 1.98010 2.23773 -47.33060 914.16167
990.0000 -49.61817 -46.15584 3.46233 2.21856 -47.48118 899.03390
995.0000 -49.15089 -46.08058 3.07031 2.30928 -46.76886 1009.68766
1000.0000 -50.57024 -47.18945 3.38080 2.32292 -46.66180 1085.89240
FREEZING PROCESS: loop number 5 T-loop= 926.00000000000000
main_MD> interactions number 5 at Temperature= 926.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85837 0.80821 -2.34763
force_rgl> df(natom) -1.31202 1.50686 -2.11135
1005.0000 -49.53430 -47.67038 1.86392 2.19391 -47.67468 878.83810
1010.0000 -49.89884 -47.20646 2.69238 2.29422 -46.88710 1041.22301
1015.0000 -49.14640 -46.05003 3.09636 2.31329 -46.73740 1035.02724
1020.0000 -49.58970 -46.73006 2.85964 2.38264 -46.19286 1134.67363
1025.0000 -50.95950 -47.67563 3.28387 2.23368 -47.36245 954.23150
1030.0000 -50.32975 -47.55396 2.77580 2.26238 -47.13709 986.36338
1035.0000 -49.27799 -47.58677 1.69121 2.20011 -47.62602 919.49867
1040.0000 -50.51415 -48.42229 2.09186 2.13350 -48.14895 820.39926
1045.0000 -49.89672 -47.89190 2.00482 2.13550 -48.13326 820.17827
1050.0000 -50.10784 -48.39551 1.71233 2.12113 -48.24612 714.70925
1055.0000 -49.22897 -47.69328 1.53570 2.14888 -48.02819 828.13877
1060.0000 -50.29118 -47.74888 2.54230 2.19561 -47.66131 948.33837
1065.0000 -50.24990 -47.98443 2.26547 2.21072 -47.54267 894.37493
1070.0000 -50.21490 -48.11481 2.10009 2.26065 -47.15068 928.50603
1075.0000 -49.56384 -46.63963 2.92421 2.30341 -46.81496 1009.81686
1080.0000 -50.04472 -47.90091 2.14381 2.22957 -47.39472 932.35080
1085.0000 -50.16962 -47.90827 2.26135 2.15129 -48.00933 827.53318
1090.0000 -50.06326 -46.76999 3.29327 2.18896 -47.71355 887.37505
1095.0000 -49.74500 -47.73206 2.01294 2.20981 -47.54983 917.15131
1100.0000 -49.68310 -46.90348 2.77962 2.21788 -47.48652 905.78102
1105.0000 -49.15380 -46.10669 3.04710 2.31957 -46.68804 978.19715
1110.0000 -49.44286 -47.25158 2.19128 2.32243 -46.66563 967.50513
1115.0000 -49.89659 -47.53388 2.36271 2.25794 -47.17199 914.18192
1120.0000 -49.84567 -47.45378 2.39190 2.21904 -47.47734 933.23785
1125.0000 -50.07418 -47.85758 2.21661 2.18403 -47.75229 848.29094
1130.0000 -50.74413 -48.14537 2.59875 2.14516 -48.05745 846.49890
1135.0000 -49.55901 -47.00221 2.55681 2.26496 -47.11684 949.85419
1140.0000 -48.69835 -46.26954 2.42881 2.29953 -46.84539 980.54562
1145.0000 -49.40225 -46.48983 2.91242 2.40286 -46.03413 1051.29154
1150.0000 -49.80167 -47.51568 2.28599 2.19845 -47.63906 852.99746
1155.0000 -49.55737 -46.34478 3.21260 2.27620 -47.02859 985.83579
1160.0000 -49.48126 -47.04797 2.43329 2.32069 -46.67931 1069.04448
1165.0000 -50.12450 -46.80434 3.32017 2.35921 -46.37680 1094.29048
1170.0000 -49.14392 -46.10897 3.03495 2.37025 -46.29018 1016.57691
1175.0000 -50.07845 -47.14268 2.93577 2.27823 -47.01266 957.67225
1180.0000 -49.73603 -47.46155 2.27448 2.25296 -47.21109 916.34513
1185.0000 -49.87783 -47.22414 2.65369 2.28465 -46.96224 931.71275
1190.0000 -49.57854 -46.67085 2.90769 2.25580 -47.18879 905.71584
1195.0000 -50.45002 -48.34370 2.10632 2.21117 -47.53918 921.55178
1200.0000 -50.83167 -47.65955 3.17211 2.14484 -48.05991 818.00765
1205.0000 -50.47186 -48.49050 1.98137 2.11717 -48.27721 773.52251
1210.0000 -49.55317 -47.27074 2.28243 2.12134 -48.24446 849.08043
1215.0000 -49.55793 -46.97319 2.58474 2.30500 -46.80248 1020.78958
1220.0000 -49.58825 -46.96470 2.62355 2.28443 -46.96394 991.55935
1225.0000 -50.14664 -46.42033 3.72632 2.32228 -46.66676 1021.35275
1230.0000 -50.55468 -47.63505 2.91962 2.32243 -46.66560 1023.66307
1235.0000 -50.21424 -47.92088 2.29336 2.21142 -47.53724 853.75807
1240.0000 -49.68836 -46.98790 2.70046 2.14396 -48.06686 780.54803
1245.0000 -49.96659 -47.94071 2.02588 2.17762 -47.80259 844.12179
1250.0000 -49.99830 -47.47976 2.51854 2.19489 -47.66696 865.24659
FREEZING PROCESS: loop number 6 T-loop= 901.00000000000000
main_MD> interactions number 6 at Temperature= 901.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.52636 -0.57407 -2.98120
force_rgl> df(natom) 1.36805 -0.00243 0.80214
1255.0000 -50.50571 -47.71245 2.79325 2.21568 -47.50376 902.97914
1260.0000 -49.55898 -48.00007 1.55891 2.11541 -48.29103 753.10966
1265.0000 -50.79913 -48.99312 1.80602 2.09115 -48.48148 714.61623
1270.0000 -51.44103 -48.94616 2.49487 2.06841 -48.66002 729.98215
1275.0000 -49.60590 -46.94993 2.65597 2.14512 -48.05778 860.06898
1280.0000 -50.07470 -46.73351 3.34119 2.26004 -47.15546 995.18422
1285.0000 -50.01577 -47.58814 2.42763 2.22888 -47.40013 931.53150
1290.0000 -50.79836 -48.09922 2.69914 2.19539 -47.66308 919.25181
1295.0000 -49.51851 -46.66467 2.85384 2.25527 -47.19294 941.16747
1300.0000 -49.09802 -47.10104 1.99698 2.30654 -46.79035 958.43369
1305.0000 -50.40204 -47.65235 2.74969 2.22458 -47.43388 875.10612
1310.0000 -49.77487 -47.18162 2.59325 2.25755 -47.17499 941.80363
1315.0000 -50.22235 -46.64949 3.57286 2.32544 -46.64201 988.44107
1320.0000 -49.48252 -46.97892 2.50360 2.30701 -46.78669 981.73266
1325.0000 -49.31228 -47.04370 2.26859 2.29248 -46.90079 944.82467
1330.0000 -49.35394 -47.29713 2.05681 2.25965 -47.15853 937.31615
1335.0000 -48.82434 -46.66607 2.15827 2.25117 -47.22510 944.70668
1340.0000 -49.91900 -48.16107 1.75792 2.30052 -46.83763 965.78790
1345.0000 -49.43847 -46.89530 2.54317 2.19263 -47.68474 896.92239
1350.0000 -49.27010 -47.18763 2.08247 2.25957 -47.15919 957.39143
1355.0000 -49.84377 -46.89772 2.94605 2.26891 -47.08584 895.55230
1360.0000 -49.46981 -46.06611 3.40369 2.36427 -46.33715 960.28747
1365.0000 -49.20754 -47.27239 1.93515 2.26430 -47.12205 922.99746
1370.0000 -50.72401 -48.13125 2.59276 2.19055 -47.70109 896.45471
1375.0000 -48.97735 -46.06718 2.91017 2.29373 -46.89098 1026.08733
1380.0000 -49.17001 -47.17928 1.99073 2.34677 -46.47453 966.65941
1385.0000 -49.69034 -46.47554 3.21480 2.31488 -46.72492 997.86346
1390.0000 -49.70440 -47.54812 2.15628 2.30571 -46.79688 1042.17600
1395.0000 -49.88016 -47.31671 2.56345 2.26628 -47.10645 957.11800
1400.0000 -50.15250 -47.52878 2.62372 2.21454 -47.51272 911.90109
1405.0000 -48.50104 -46.40182 2.09922 2.29996 -46.84203 968.34891
1410.0000 -49.86758 -47.30594 2.56164 2.32182 -46.67040 951.39985
1415.0000 -50.47236 -47.62532 2.84704 2.17880 -47.79334 803.94428
1420.0000 -49.83573 -47.21083 2.62489 2.21839 -47.48250 931.95470
1425.0000 -49.34346 -47.35422 1.98924 2.24367 -47.28399 927.54408
1430.0000 -49.46081 -46.62990 2.83091 2.22290 -47.44709 976.53839
1435.0000 -49.70993 -47.24541 2.46452 2.34503 -46.48814 1007.37364
1440.0000 -49.09622 -46.69485 2.40137 2.31494 -46.72446 999.00992
1445.0000 -49.83672 -46.62529 3.21143 2.29196 -46.90483 941.46870
1450.0000 -49.69214 -47.48035 2.21179 2.30882 -46.77247 1017.43654
1455.0000 -49.13335 -46.31810 2.81525 2.34475 -46.49035 1074.15465
1460.0000 -49.85950 -47.27534 2.58416 2.29905 -46.84915 909.42177
1465.0000 -50.05805 -47.31386 2.74419 2.20520 -47.58607 884.74529
1470.0000 -50.13567 -47.29202 2.84365 2.25942 -47.16031 958.26712
1475.0000 -50.03356 -46.87201 3.16154 2.20963 -47.55126 970.79173
1480.0000 -49.60519 -47.48216 2.12303 2.26418 -47.12295 943.45001
1485.0000 -50.16773 -47.61750 2.55024 2.20588 -47.58070 886.19990
1490.0000 -50.59304 -48.74624 1.84680 2.05276 -48.78292 754.35692
1495.0000 -50.54101 -48.57718 1.96382 2.13005 -48.17609 817.85246
1500.0000 -50.62684 -47.41847 3.20837 2.13211 -48.15986 831.84435
FREEZING PROCESS: loop number 7 T-loop= 876.00000000000000
main_MD> interactions number 7 at Temperature= 876.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35486 -2.09447 2.19613
force_rgl> df(natom) -0.25512 -1.42825 2.97877
1505.0000 -50.00899 -47.64436 2.36462 2.19839 -47.63951 899.74274
1510.0000 -50.49673 -47.30272 3.19401 2.22012 -47.46892 959.82085
1515.0000 -50.37101 -48.03822 2.33279 2.20090 -47.61976 863.18362
1520.0000 -51.22323 -48.90437 2.31886 2.07339 -48.62097 705.66317
1525.0000 -50.80337 -47.92656 2.87681 2.12263 -48.23430 758.03177
1530.0000 -51.20370 -49.00325 2.20045 2.11285 -48.31108 830.49677
1535.0000 -50.63475 -48.41091 2.22383 2.09850 -48.42380 860.79357
1540.0000 -50.47009 -48.37543 2.09466 2.07711 -48.59172 778.16470
1545.0000 -49.98142 -47.71964 2.26178 2.13588 -48.13027 853.28473
1550.0000 -50.12478 -47.74245 2.38234 2.20115 -47.61785 849.06322
1555.0000 -50.42437 -47.59564 2.82874 2.18550 -47.74075 888.02652
1560.0000 -51.12289 -48.64076 2.48213 2.14112 -48.08913 848.04970
1565.0000 -50.41413 -48.63576 1.77836 2.07839 -48.58170 738.12910
1570.0000 -50.52997 -48.23038 2.29959 2.10493 -48.37329 753.01181
1575.0000 -49.84871 -46.59455 3.25416 2.32781 -46.62339 1055.05694
1580.0000 -49.53820 -47.88510 1.65309 2.25557 -47.19057 962.94657
1585.0000 -49.80982 -48.07436 1.73546 2.24518 -47.27215 913.61608
1590.0000 -50.33993 -47.87875 2.46118 2.18348 -47.75656 857.35046
1595.0000 -49.62946 -46.64290 2.98656 2.21079 -47.54219 883.22506
1600.0000 -49.00355 -46.27147 2.73208 2.32096 -46.67717 985.23160
1605.0000 -48.90377 -46.74614 2.15763 2.28997 -46.92050 968.16266
1610.0000 -50.13943 -47.89866 2.24077 2.23120 -47.38189 993.88817
1615.0000 -50.37566 -48.53370 1.84196 2.15665 -47.96725 870.67534
1620.0000 -50.02257 -47.54810 2.47447 2.23995 -47.31322 952.28210
1625.0000 -50.71890 -48.17348 2.54542 2.15398 -47.98820 833.19501
1630.0000 -50.14192 -47.92487 2.21705 2.10570 -48.36725 850.75910
1635.0000 -50.66718 -48.27956 2.38762 2.10172 -48.39847 843.95666
1640.0000 -49.88719 -47.90946 1.97773 2.11398 -48.30225 846.43238
1645.0000 -50.23264 -47.57883 2.65381 2.20726 -47.56984 926.63222
1650.0000 -51.39901 -48.58591 2.81309 2.15600 -47.97232 837.53012
1655.0000 -50.22155 -48.41617 1.80538 2.11828 -48.26847 820.24352
1660.0000 -50.44970 -48.93236 1.51734 2.05595 -48.75788 734.34038
1665.0000 -50.78692 -48.30379 2.48313 2.07571 -48.60270 792.64987
1670.0000 -50.38874 -46.61661 3.77213 2.22046 -47.46626 917.79827
1675.0000 -50.10323 -46.86006 3.24317 2.33780 -46.54497 1067.68349
1680.0000 -50.30020 -48.09445 2.20575 2.21387 -47.51797 879.00779
1685.0000 -50.92985 -48.09624 2.83362 2.09417 -48.45781 797.22314
1690.0000 -50.20443 -46.96316 3.24127 2.15604 -47.97205 917.21556
1695.0000 -50.62969 -48.00260 2.62709 2.19634 -47.65563 896.38359
1700.0000 -49.71049 -46.99764 2.71285 2.14552 -48.05464 901.75037
1705.0000 -50.91109 -48.16582 2.74527 2.15845 -47.95307 940.93578
1710.0000 -50.98409 -48.69047 2.29362 2.09354 -48.46272 785.51011
1715.0000 -50.12215 -47.37913 2.74303 2.17273 -47.84099 898.39135
1720.0000 -49.50592 -47.29906 2.20687 2.19232 -47.68718 853.07673
1725.0000 -49.90712 -47.06322 2.84390 2.22606 -47.42222 920.00824
1730.0000 -50.15064 -47.93753 2.21311 2.13676 -48.12342 870.18188
1735.0000 -51.00545 -48.78135 2.22411 2.11185 -48.31896 844.22348
1740.0000 -49.81603 -47.86488 1.95115 2.15519 -47.97867 848.59868
1745.0000 -51.14711 -48.38764 2.75947 2.13437 -48.14217 808.76421
1750.0000 -51.45949 -48.83336 2.62613 2.04924 -48.81057 802.26980
FREEZING PROCESS: loop number 8 T-loop= 851.00000000000000
main_MD> interactions number 8 at Temperature= 851.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.94131 0.43231 -1.15193
force_rgl> df(natom) -2.82017 0.01643 -1.22532
1755.0000 -50.09345 -47.65284 2.44061 2.16933 -47.86766 831.26556
1760.0000 -50.05631 -47.91168 2.14464 2.17193 -47.84728 808.89734
1765.0000 -51.36831 -49.82427 1.54404 2.05671 -48.75191 721.38341
1770.0000 -51.34559 -49.26470 2.08090 1.99889 -49.20589 735.38333
1775.0000 -49.84656 -48.04737 1.79920 2.07586 -48.60154 766.51635
1780.0000 -51.11085 -48.32459 2.78625 2.15060 -48.01469 845.81069
1785.0000 -51.43814 -49.01570 2.42245 2.13105 -48.16824 855.64648
1790.0000 -51.13679 -48.70875 2.42804 2.06576 -48.68083 747.67167
1795.0000 -51.04596 -48.91722 2.12874 2.09429 -48.45682 800.60714
1800.0000 -51.13433 -48.96433 2.17000 2.04470 -48.84621 792.84741
1805.0000 -51.30810 -48.89468 2.41341 2.02936 -48.96664 778.83735
1810.0000 -50.23022 -48.67267 1.55756 2.11110 -48.32482 900.33443
1815.0000 -49.52545 -47.37767 2.14778 2.11230 -48.31545 824.01254
1820.0000 -49.91760 -47.43118 2.48642 2.31230 -46.74514 975.36300
1825.0000 -50.88654 -48.65314 2.23340 2.14773 -48.03728 851.47101
1830.0000 -50.76149 -48.53284 2.22865 2.06551 -48.68283 732.47993
1835.0000 -50.27457 -47.16374 3.11083 2.18119 -47.77454 928.27656
1840.0000 -51.15131 -48.22099 2.93032 2.20575 -47.58169 915.31911
1845.0000 -51.16884 -48.88088 2.28796 2.05292 -48.78162 759.59177
1850.0000 -50.76733 -48.41301 2.35432 2.04846 -48.81666 721.17267
1855.0000 -51.61864 -49.35547 2.26317 2.01056 -49.11422 738.46368
1860.0000 -49.77604 -47.34924 2.42681 2.09676 -48.43744 809.80448
1865.0000 -49.57161 -47.32063 2.25098 2.24451 -47.27737 932.28118
1870.0000 -50.43540 -47.20459 3.23081 2.23479 -47.35374 901.86058
1875.0000 -50.74680 -48.21890 2.52791 2.17783 -47.80093 894.73963
1880.0000 -50.96781 -47.81073 3.15708 2.18995 -47.70575 877.23183
1885.0000 -49.52159 -47.54760 1.97399 2.22799 -47.40712 918.27867
1890.0000 -49.94479 -48.32851 1.61628 2.15518 -47.97879 790.38863
1895.0000 -50.68725 -48.55999 2.12726 2.10037 -48.40909 742.97974
1900.0000 -50.77629 -48.61039 2.16590 2.09013 -48.48954 853.02835
1905.0000 -49.98554 -47.53694 2.44860 2.08886 -48.49947 754.75432
1910.0000 -50.71674 -47.78883 2.92791 2.28524 -46.95760 971.20442
1915.0000 -48.56240 -46.72039 1.84201 2.20920 -47.55463 939.48782
1920.0000 -48.94237 -45.74716 3.19521 2.40438 -46.02222 1049.54652
1925.0000 -49.58184 -47.32327 2.25857 2.29478 -46.88267 1035.27449
1930.0000 -50.01092 -47.56187 2.44906 2.21499 -47.50914 867.64699
1935.0000 -50.62692 -48.63416 1.99276 2.16511 -47.90078 839.97390
1940.0000 -50.74207 -48.26615 2.47593 2.11355 -48.30564 812.25862
1945.0000 -50.99292 -48.23216 2.76076 2.09891 -48.42059 846.96628
1950.0000 -50.02034 -47.25833 2.76202 2.16672 -47.88812 912.06507
1955.0000 -50.81886 -48.71532 2.10354 2.19969 -47.62932 908.08707
1960.0000 -49.83274 -47.98549 1.84725 2.02737 -48.98228 740.56234
1965.0000 -49.93813 -48.01128 1.92686 2.14541 -48.05547 880.50729
1970.0000 -50.37565 -48.20468 2.17097 2.15636 -47.96949 780.72288
1975.0000 -50.12911 -47.69050 2.43861 2.11099 -48.32569 826.84859
1980.0000 -50.57086 -48.29247 2.27839 2.16219 -47.92375 882.19402
1985.0000 -50.71269 -48.96120 1.75149 2.03613 -48.91346 719.36589
1990.0000 -50.44234 -47.96757 2.47477 2.14602 -48.05068 917.41589
1995.0000 -50.70488 -48.57191 2.13296 2.09871 -48.42217 797.50664
2000.0000 -51.10586 -49.06935 2.03651 2.06858 -48.65874 755.97933
FREEZING PROCESS: loop number 9 T-loop= 826.00000000000000
main_MD> interactions number 9 at Temperature= 826.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57183 0.62719 0.57767
force_rgl> df(natom) -1.79870 -0.69317 -0.44370
2005.0000 -51.40797 -49.28774 2.12023 1.98685 -49.30038 676.48468
2010.0000 -49.78598 -47.60706 2.17893 2.10517 -48.37138 790.18620
2015.0000 -51.04501 -48.64754 2.39747 2.06577 -48.68076 769.30665
2020.0000 -51.14411 -48.95333 2.19078 2.05605 -48.75705 750.37875
2025.0000 -50.74076 -48.80443 1.93633 2.02499 -49.00093 769.90193
2030.0000 -52.04942 -49.67454 2.37488 2.02683 -48.98650 723.40097
2035.0000 -49.95063 -48.29932 1.65131 1.96743 -49.45284 681.58696
2040.0000 -50.54423 -47.80498 2.73926 2.17361 -47.83410 855.41243
2045.0000 -48.97870 -46.39642 2.58228 2.22406 -47.43796 922.11313
2050.0000 -51.12376 -48.18736 2.93639 2.24200 -47.29712 945.67470
2055.0000 -50.30928 -47.88075 2.42853 2.08241 -48.55009 742.86962
2060.0000 -50.61039 -48.14088 2.46951 2.10205 -48.39590 762.20320
2065.0000 -51.54418 -49.57435 1.96983 2.03572 -48.91667 736.71539
2070.0000 -51.50381 -48.98868 2.51513 2.05319 -48.77950 797.09718
2075.0000 -49.85179 -47.82923 2.02256 2.09806 -48.42726 784.59116
2080.0000 -49.65007 -46.89237 2.75770 2.19548 -47.66236 832.58655
2085.0000 -50.95595 -48.31583 2.64012 2.22516 -47.42935 938.56736
2090.0000 -51.27839 -48.95056 2.32783 2.05660 -48.75274 748.08210
2095.0000 -51.73187 -48.87426 2.85761 2.01027 -49.11648 705.05206
2100.0000 -50.91435 -48.52967 2.38468 2.11634 -48.28374 830.36856
2105.0000 -51.24621 -48.81771 2.42850 2.06027 -48.72397 762.22076
2110.0000 -50.55801 -48.64121 1.91680 2.02768 -48.97980 750.52927
2115.0000 -50.81235 -48.07408 2.73826 2.10631 -48.36247 843.77129
2120.0000 -50.32382 -48.27607 2.04775 2.10614 -48.36383 738.83101
2125.0000 -49.55867 -47.87708 1.68159 2.14404 -48.06626 836.07119
2130.0000 -50.89040 -48.60531 2.28509 2.13454 -48.14081 813.92459
2135.0000 -51.55792 -49.16940 2.38852 2.04642 -48.83272 780.44078
2140.0000 -51.25765 -48.67097 2.58668 2.09183 -48.47614 841.20249
2145.0000 -51.42462 -49.14619 2.27843 2.01203 -49.10271 714.97151
2150.0000 -51.03787 -48.72374 2.31412 2.04027 -48.88095 737.52052
2155.0000 -51.09547 -48.47156 2.62391 2.07695 -48.59302 771.65165
2160.0000 -50.80751 -48.46942 2.33809 2.06944 -48.65193 781.08158
2165.0000 -50.55263 -47.52355 3.02908 2.12226 -48.23722 848.44742
2170.0000 -50.62125 -48.42801 2.19323 2.14754 -48.03874 867.29927
2175.0000 -50.93815 -48.41514 2.52301 2.11971 -48.25726 866.06963
2180.0000 -50.54138 -48.25797 2.28341 2.12967 -48.17905 859.28012
2185.0000 -49.95114 -47.33463 2.61651 2.21785 -47.48669 865.19494
2190.0000 -49.50089 -46.65116 2.84973 2.23100 -47.38347 870.75763
2195.0000 -49.92048 -47.15777 2.76271 2.34065 -46.52258 1012.34282
2200.0000 -50.25837 -47.60377 2.65461 2.22158 -47.45747 885.73484
2205.0000 -50.98019 -47.98618 2.99401 2.13361 -48.14815 834.01848
2210.0000 -50.35262 -48.13216 2.22046 2.18874 -47.71525 897.65344
2215.0000 -50.56674 -47.89618 2.67055 2.14675 -48.04495 843.00711
2220.0000 -50.87227 -48.27182 2.60045 2.13374 -48.14710 825.52722
2225.0000 -51.04344 -48.19199 2.85145 2.14768 -48.03764 819.98305
2230.0000 -50.50556 -47.71407 2.79149 2.13073 -48.17075 846.68427
2235.0000 -50.19724 -47.76244 2.43480 2.20790 -47.56481 863.99947
2240.0000 -50.67926 -48.23924 2.44002 2.22252 -47.45005 924.25507
2245.0000 -50.34545 -48.11705 2.22840 2.16427 -47.90743 856.55929
2250.0000 -50.89211 -48.03785 2.85426 2.14363 -48.06948 798.52625
FREEZING PROCESS: loop number 10 T-loop= 801.00000000000000
main_MD> interactions number 10 at Temperature= 801.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.97574 1.39552 1.94821
force_rgl> df(natom) 3.99240 2.11046 -0.46041
2255.0000 -51.15450 -48.95845 2.19606 2.07879 -48.57857 783.18743
2260.0000 -50.98967 -48.69375 2.29593 2.07853 -48.58057 775.88654
2265.0000 -51.05308 -49.40348 1.64960 2.04088 -48.87621 794.98648
2270.0000 -50.93892 -48.59174 2.34719 2.01816 -49.05458 723.83170
2275.0000 -51.46357 -48.88931 2.57426 2.06784 -48.66450 763.54186
2280.0000 -50.17019 -47.86671 2.30348 2.01447 -49.08356 694.97081
2285.0000 -50.54947 -47.35547 3.19400 2.20276 -47.60523 919.62135
2290.0000 -50.65316 -48.65340 1.99977 2.12252 -48.23517 831.79719
2295.0000 -51.32334 -48.72696 2.59638 2.10712 -48.35609 824.93869
2300.0000 -49.71580 -47.77183 1.94397 2.11195 -48.31820 830.19419
2305.0000 -49.58315 -47.79312 1.79003 2.11118 -48.32427 693.91623
2310.0000 -50.21868 -48.64216 1.57652 2.11953 -48.25863 753.06822
2315.0000 -50.61942 -47.96871 2.65071 2.13615 -48.12819 908.03919
2320.0000 -50.85993 -48.87340 1.98653 2.07106 -48.63926 796.61312
2325.0000 -50.66882 -48.78829 1.88053 2.07052 -48.64349 778.17804
2330.0000 -51.60839 -49.42254 2.18585 2.03566 -48.91715 699.02580
2335.0000 -51.21199 -49.22925 1.98273 2.00644 -49.14656 698.31601
2340.0000 -50.86245 -48.34393 2.51853 2.09282 -48.46839 795.02175
2345.0000 -50.41670 -47.91783 2.49887 2.16187 -47.92625 904.92124
2350.0000 -50.82972 -48.37472 2.45501 2.10629 -48.36263 825.22899
2355.0000 -50.69758 -49.08820 1.60938 2.07686 -48.59368 821.60485
2360.0000 -50.54491 -48.17358 2.37133 2.08196 -48.55368 764.49053
2365.0000 -50.61466 -47.53813 3.07653 2.16308 -47.91674 920.36542
2370.0000 -50.74439 -48.10261 2.64178 2.16697 -47.88623 855.29191
2375.0000 -50.68146 -47.91972 2.76174 2.12821 -48.19050 793.11112
2380.0000 -50.56227 -47.75276 2.80951 2.17418 -47.82962 886.35520
2385.0000 -50.11328 -48.26647 1.84681 2.11375 -48.30408 812.44212
2390.0000 -50.76274 -48.49791 2.26483 2.06048 -48.72231 751.64529
2395.0000 -50.57892 -48.01706 2.56186 2.11275 -48.31191 845.58231
2400.0000 -50.89776 -47.94402 2.95375 2.15605 -47.97195 835.27232
2405.0000 -50.75676 -48.14337 2.61339 2.15748 -47.96067 821.99512
2410.0000 -50.77321 -48.39607 2.37714 2.09013 -48.48947 772.16237
2415.0000 -50.12355 -47.61553 2.50803 2.12404 -48.22326 814.16522
2420.0000 -49.56466 -47.19463 2.37003 2.25120 -47.22484 901.42157
2425.0000 -50.28585 -47.03096 3.25489 2.19555 -47.66184 864.64648
2430.0000 -49.63372 -47.66989 1.96383 2.20122 -47.61725 877.92241
2435.0000 -50.74755 -48.48211 2.26544 2.10667 -48.35960 720.48927
2440.0000 -50.41782 -47.91908 2.49873 2.11201 -48.31770 845.75131
2445.0000 -50.96026 -48.96318 1.99707 2.10917 -48.34002 816.74570
2450.0000 -50.49359 -47.94797 2.54562 2.06545 -48.68326 765.54634
2455.0000 -50.39233 -47.86878 2.52355 2.11425 -48.30010 821.55417
2460.0000 -50.20933 -46.93488 3.27445 2.24622 -47.26396 957.92730
2465.0000 -48.87694 -46.72464 2.15229 2.30914 -46.76996 926.38566
2470.0000 -51.15253 -48.80154 2.35098 2.15227 -48.00162 875.36653
2475.0000 -49.83539 -48.00686 1.82853 2.12411 -48.22272 849.07845
2480.0000 -51.08055 -48.33550 2.74505 2.08468 -48.53228 789.26054
2485.0000 -49.73584 -47.06602 2.66981 2.19098 -47.69772 901.82988
2490.0000 -49.96647 -47.65282 2.31365 2.19103 -47.69727 833.42502
2495.0000 -51.05973 -48.78139 2.27834 2.12893 -48.18484 821.71056
2500.0000 -50.43782 -48.19653 2.24129 2.10660 -48.36021 814.88685
FREEZING PROCESS: loop number 11 T-loop= 776.00000000000000
main_MD> interactions number 11 at Temperature= 776.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13415 -2.69430 1.17386
force_rgl> df(natom) 0.60227 -2.38035 -0.68773
2505.0000 -49.66272 -46.84067 2.82205 2.27358 -47.04913 1018.23254
2510.0000 -50.01134 -47.78161 2.22973 2.32011 -46.68380 1033.62595
2515.0000 -50.85658 -48.75162 2.10496 2.11952 -48.25874 851.70501
2520.0000 -50.37761 -48.00341 2.37420 2.12168 -48.24176 713.80259
2525.0000 -51.44438 -49.19540 2.24898 2.06865 -48.65814 792.05089
2530.0000 -50.62876 -48.70486 1.92390 2.07704 -48.59225 784.26373
2535.0000 -50.13010 -47.98895 2.14115 2.07896 -48.57719 752.16991
2540.0000 -49.79223 -47.68843 2.10381 2.14007 -48.09741 841.65498
2545.0000 -49.96720 -47.76566 2.20154 2.23363 -47.36285 866.10824
2550.0000 -49.66337 -47.66551 1.99785 2.16015 -47.93974 821.33426
2555.0000 -49.16188 -47.35466 1.80722 2.22104 -47.46166 872.22173
2560.0000 -50.78112 -47.78327 2.99784 2.25736 -47.17653 912.56160
2565.0000 -51.23861 -48.37979 2.85883 2.13310 -48.15215 824.03739
2570.0000 -50.29424 -48.52523 1.76901 2.09554 -48.44699 771.18829
2575.0000 -50.54035 -48.39552 2.14483 2.06461 -48.68984 758.45952
2580.0000 -51.23260 -49.68886 1.54373 1.97049 -49.42887 688.03655
2585.0000 -51.46654 -48.89097 2.57556 2.01034 -49.11597 743.95284
2590.0000 -51.50546 -49.20276 2.30270 2.01354 -49.09084 708.64561
2595.0000 -50.88221 -48.86860 2.01361 2.04476 -48.84574 711.36807
2600.0000 -50.29799 -48.15380 2.14419 2.11528 -48.29205 760.79224
2605.0000 -50.99576 -48.84514 2.15062 2.11561 -48.28947 850.57993
2610.0000 -50.09254 -47.75497 2.33757 2.19142 -47.69421 845.31491
2615.0000 -50.11661 -47.71144 2.40517 2.18845 -47.71758 835.34708
2620.0000 -50.45592 -48.15335 2.30257 2.20412 -47.59452 870.40814
2625.0000 -50.57724 -48.67633 1.90091 2.14260 -48.07754 792.02599
2630.0000 -51.66770 -49.43442 2.23328 2.04978 -48.80634 710.63021
2635.0000 -50.79856 -48.40321 2.39536 2.02118 -49.03085 694.27939
2640.0000 -50.69956 -48.78315 1.91641 2.03558 -48.91777 749.06887
2645.0000 -51.01145 -48.49405 2.51739 2.09673 -48.43767 840.26815
2650.0000 -51.19851 -49.34313 1.85538 2.01808 -49.05516 689.09181
2655.0000 -51.11462 -48.79185 2.32277 2.00227 -49.17931 717.32811
2660.0000 -51.56847 -49.14403 2.42444 2.04251 -48.86339 729.27203
2665.0000 -50.73306 -47.51532 3.21774 2.13834 -48.11102 818.81279
2670.0000 -49.70463 -47.40189 2.30274 2.18649 -47.73291 916.19214
2675.0000 -50.02144 -48.22721 1.79423 2.13681 -48.12297 815.12719
2680.0000 -50.63381 -49.19417 1.43964 2.06401 -48.69462 654.10714
2685.0000 -50.79543 -48.77322 2.02221 2.03309 -48.93732 647.42816
2690.0000 -50.47564 -48.64198 1.83366 2.05282 -48.78240 749.22914
2695.0000 -50.13503 -48.38322 1.75182 2.09464 -48.45406 751.24212
2700.0000 -50.91629 -49.56312 1.35316 2.02436 -49.00588 726.00298
2705.0000 -51.67749 -49.70792 1.96957 1.97371 -49.40356 690.09363
2710.0000 -51.34180 -49.47732 1.86448 1.93963 -49.67114 655.45606
2715.0000 -51.26412 -49.24242 2.02170 1.98077 -49.34817 661.54450
2720.0000 -51.61372 -49.99883 1.61488 1.95936 -49.51620 674.49030
2725.0000 -51.63583 -49.11370 2.52213 1.97631 -49.38315 659.33748
2730.0000 -50.82759 -48.36664 2.46095 2.02630 -48.99069 790.03795
2735.0000 -50.34237 -47.79289 2.54948 2.16612 -47.89291 878.12269
2740.0000 -50.30163 -48.27112 2.03051 2.19851 -47.63860 891.99582
2745.0000 -50.60923 -48.37562 2.23360 2.08558 -48.52525 802.70302
2750.0000 -51.41339 -48.99786 2.41553 2.06744 -48.66761 726.65731
FREEZING PROCESS: loop number 12 T-loop= 751.00000000000000
main_MD> interactions number 12 at Temperature= 751.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93944 0.72603 0.41303
force_rgl> df(natom) -1.34569 -0.25206 1.62239
2755.0000 -50.73270 -49.00601 1.72668 2.00320 -49.17204 623.08279
2760.0000 -51.05642 -49.49081 1.56561 2.08098 -48.56131 714.74565
2765.0000 -51.03816 -48.95416 2.08400 1.98778 -49.29310 698.95596
2770.0000 -51.05066 -48.68902 2.36164 2.09423 -48.45732 821.26150
2775.0000 -50.75027 -48.83166 1.91861 2.06591 -48.67965 765.89559
2780.0000 -51.11557 -48.39849 2.71709 2.05572 -48.75967 736.74143
2785.0000 -50.59744 -48.18644 2.41100 2.10111 -48.40328 799.55595
2790.0000 -50.50919 -48.24139 2.26780 2.13225 -48.15880 802.87223
2795.0000 -50.38980 -48.18206 2.20774 2.16773 -47.88023 820.20232
2800.0000 -50.58583 -48.24920 2.33663 2.13910 -48.10499 794.38070
2805.0000 -49.90794 -47.87111 2.03683 2.11536 -48.29144 823.63352
2810.0000 -50.13628 -48.54331 1.59296 2.17049 -47.85854 806.72202
2815.0000 -50.74506 -48.67006 2.07500 2.05898 -48.73407 717.17798
2820.0000 -50.36335 -48.47754 1.88581 2.10574 -48.36694 729.34673
2825.0000 -50.09200 -47.32349 2.76851 2.16403 -47.90929 801.24208
2830.0000 -51.43952 -49.60640 1.83311 2.09858 -48.42314 837.02171
2835.0000 -51.65686 -49.15728 2.49959 2.00637 -49.14713 690.21971
2840.0000 -50.99056 -49.01178 1.97878 2.00870 -49.12882 711.98074
2845.0000 -50.18550 -48.26182 1.92369 2.07767 -48.58734 777.25217
2850.0000 -50.46712 -48.05421 2.41291 2.14709 -48.04231 786.14498
2855.0000 -51.07732 -48.74567 2.33165 2.10652 -48.36085 783.89817
2860.0000 -52.01960 -49.76400 2.25559 2.00429 -49.16344 727.33612
2865.0000 -50.81794 -48.97134 1.84660 2.01072 -49.11302 698.65024
2870.0000 -50.71679 -48.84275 1.87403 2.05665 -48.75236 747.52777
2875.0000 -50.66069 -49.08789 1.57280 2.02273 -49.01872 677.03878
2880.0000 -50.62129 -48.44470 2.17660 2.06311 -48.70161 763.52417
2885.0000 -50.36647 -48.06474 2.30173 2.15992 -47.94158 847.46923
2890.0000 -50.32143 -48.31715 2.00428 2.13464 -48.14007 824.93021
2895.0000 -50.51043 -48.21891 2.29152 2.11535 -48.29149 774.81907
2900.0000 -51.42259 -49.20735 2.21524 2.04395 -48.85209 759.96271
2905.0000 -50.62171 -48.57202 2.04969 2.02703 -48.98489 736.15862
2910.0000 -51.01610 -49.07413 1.94197 2.03221 -48.94429 719.48188
2915.0000 -50.97898 -48.56127 2.41770 2.06725 -48.66911 783.86167
2920.0000 -51.54282 -48.44549 3.09733 2.06526 -48.68476 795.61922
2925.0000 -50.10020 -48.01059 2.08961 2.14857 -48.03068 863.24042
2930.0000 -51.37711 -47.79169 3.58542 2.15413 -47.98704 811.22486
2935.0000 -51.28693 -49.18666 2.10027 2.09058 -48.48598 808.10433
2940.0000 -50.84979 -48.88027 1.96951 2.05081 -48.79823 740.16033
2945.0000 -51.23930 -48.87171 2.36759 2.06463 -48.68971 758.48719
2950.0000 -50.09051 -47.85571 2.23479 2.09943 -48.41651 834.56302
2955.0000 -50.38485 -48.43036 1.95448 2.15903 -47.94854 876.16181
2960.0000 -49.95809 -47.49927 2.45882 2.15036 -48.01662 800.40995
2965.0000 -49.95766 -47.32864 2.62903 2.19450 -47.67007 914.82054
2970.0000 -50.60854 -48.40256 2.20598 2.16218 -47.92377 852.49060
2975.0000 -50.36481 -47.95001 2.41480 2.13261 -48.15599 823.48864
2980.0000 -50.64913 -47.80742 2.84171 2.14804 -48.03479 845.30041
2985.0000 -51.24611 -48.39652 2.84958 2.12563 -48.21081 883.09928
2990.0000 -50.38188 -48.14797 2.23391 2.10053 -48.40781 812.93025
2995.0000 -50.21106 -47.86805 2.34301 2.16737 -47.88305 875.35915
3000.0000 -50.78267 -48.44816 2.33451 2.17301 -47.83881 876.54165
FREEZING PROCESS: loop number 13 T-loop= 726.00000000000000
main_MD> interactions number 13 at Temperature= 726.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.97620 2.32883 -0.16999
force_rgl> df(natom) 1.80557 -7.53598 -4.21258
3005.0000 -50.90876 -48.88917 2.01960 2.03311 -48.93723 714.31691
3010.0000 -50.08728 -47.76456 2.32272 2.10752 -48.35298 856.12054
3015.0000 -50.57674 -48.39443 2.18232 2.11272 -48.31217 849.90787
3020.0000 -50.57435 -49.07430 1.50005 2.05936 -48.73112 746.71628
3025.0000 -50.70589 -48.21157 2.49433 2.07742 -48.58932 753.44229
3030.0000 -51.24810 -48.71023 2.53787 2.06346 -48.69890 777.84629
3035.0000 -50.29211 -48.22138 2.07073 2.09527 -48.44916 813.54312
3040.0000 -49.71479 -47.61260 2.10219 2.17690 -47.80821 789.91546
3045.0000 -50.91670 -47.76645 3.15025 2.09364 -48.46195 747.78876
3050.0000 -50.54834 -48.47589 2.07245 2.09624 -48.44152 813.11906
3055.0000 -50.95103 -48.76299 2.18804 2.12401 -48.22348 871.48008
3060.0000 -51.34456 -48.77031 2.57425 2.05306 -48.78058 763.31881
3065.0000 -51.30579 -48.52704 2.77875 2.05050 -48.80064 750.78238
3070.0000 -51.33010 -49.20172 2.12839 2.01895 -49.04836 714.40505
3075.0000 -50.91492 -48.87449 2.04043 2.00944 -49.12304 713.12687
3080.0000 -50.94987 -49.10412 1.84575 2.03558 -48.91783 765.90811
3085.0000 -51.37517 -49.88151 1.49366 1.97769 -49.37233 662.21890
3090.0000 -51.21331 -49.08152 2.13179 1.95299 -49.56625 624.02920
3095.0000 -50.77046 -48.70186 2.06860 1.98440 -49.31963 680.13075
3100.0000 -51.08447 -48.23060 2.85387 2.13757 -48.11699 882.69996
3105.0000 -51.29262 -49.60563 1.68699 2.03253 -48.94175 766.46489
3110.0000 -51.43334 -49.97375 1.45960 1.97315 -49.40799 719.09074
3115.0000 -51.31437 -49.69761 1.61676 1.91860 -49.83625 627.38148
3120.0000 -51.65987 -49.96461 1.69526 1.92680 -49.77188 622.05008
3125.0000 -51.38425 -49.94716 1.43709 1.91415 -49.87123 616.50786
3130.0000 -51.50657 -49.67505 1.83152 1.92085 -49.81858 614.53569
3135.0000 -51.64150 -49.84538 1.79612 1.96697 -49.45650 690.25107
3140.0000 -51.50315 -49.63658 1.86656 1.91393 -49.87292 597.56439
3145.0000 -49.85743 -47.89369 1.96374 2.07950 -48.57294 765.32138
3150.0000 -49.48937 -47.02464 2.46473 2.22150 -47.45804 889.25472
3155.0000 -50.64892 -47.89347 2.75545 2.21775 -47.48750 903.24901
3160.0000 -50.04423 -48.36920 1.67504 2.19983 -47.62819 957.71143
3165.0000 -51.49256 -49.41605 2.07651 2.01045 -49.11512 723.46585
3170.0000 -51.30377 -49.51306 1.79071 1.99031 -49.27326 645.92930
3175.0000 -51.04253 -49.58034 1.46219 1.93814 -49.68286 575.77098
3180.0000 -51.15519 -48.87315 2.28203 1.98146 -49.34276 657.19433
3185.0000 -50.58924 -48.66883 1.92041 2.06838 -48.66023 803.65364
3190.0000 -51.04287 -48.37773 2.66513 2.09754 -48.43130 788.38518
3195.0000 -50.95604 -48.78729 2.16875 2.10103 -48.40396 844.12257
3200.0000 -51.26696 -49.05727 2.20969 2.04084 -48.87654 816.76718
3205.0000 -51.94952 -49.65964 2.28989 1.96218 -49.49406 687.11361
3210.0000 -51.40413 -49.76738 1.63675 1.97368 -49.40379 668.21632
3215.0000 -51.61658 -49.44915 2.16743 1.90614 -49.93410 609.59830
3220.0000 -50.74261 -48.11347 2.62913 1.99206 -49.25951 694.18339
3225.0000 -50.33794 -48.40475 1.93319 2.12190 -48.24004 803.81880
3230.0000 -50.99607 -48.76443 2.23164 2.07078 -48.64139 806.51454
3235.0000 -50.11451 -47.77857 2.33593 2.12411 -48.22270 858.83339
3240.0000 -50.33182 -47.89803 2.43379 2.14421 -48.06491 861.60102
3245.0000 -49.75617 -47.27753 2.47864 2.20775 -47.56600 911.48121
3250.0000 -50.43038 -48.05221 2.37818 2.19832 -47.64008 858.57959
FREEZING PROCESS: loop number 14 T-loop= 701.00000000000000
main_MD> interactions number 14 at Temperature= 701.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30546 0.64515 -1.84040
force_rgl> df(natom) 0.51893 0.32925 0.93936
3255.0000 -51.22835 -49.28992 1.93842 2.13663 -48.12440 820.12138
3260.0000 -51.91820 -50.23293 1.68527 1.88799 -50.07661 583.10415
3265.0000 -51.45926 -49.46979 1.98947 1.87706 -50.16240 569.20012
3270.0000 -51.69242 -50.27679 1.41563 1.97286 -49.41024 675.63786
3275.0000 -51.07736 -48.83067 2.24669 1.94439 -49.63380 602.89418
3280.0000 -50.98198 -48.86843 2.11355 2.06049 -48.72224 798.14984
3285.0000 -51.35822 -49.66627 1.69195 2.01129 -49.10847 734.40897
3290.0000 -51.62941 -49.10860 2.52080 2.01091 -49.11145 766.22905
3295.0000 -51.43386 -49.35471 2.07915 2.02366 -49.01141 753.15150
3300.0000 -51.59531 -49.70444 1.89087 1.95445 -49.55478 666.02677
3305.0000 -51.07719 -49.21360 1.86359 1.96097 -49.50362 672.10438
3310.0000 -50.28090 -48.14044 2.14045 2.04649 -48.83212 765.09123
3315.0000 -50.12549 -47.51765 2.60784 2.15920 -47.94721 813.05674
3320.0000 -50.45252 -48.63042 1.82210 2.16885 -47.87145 791.89162
3325.0000 -50.80529 -48.20474 2.60055 2.07034 -48.64485 775.24909
3330.0000 -50.78043 -48.38992 2.39051 2.11503 -48.29398 803.69888
3335.0000 -51.25463 -48.84189 2.41273 2.07510 -48.60751 803.15736
3340.0000 -51.46662 -49.33770 2.12891 1.94639 -49.61803 664.09931
3345.0000 -50.14764 -48.35285 1.79478 2.05478 -48.76708 668.26522
3350.0000 -51.16863 -48.59532 2.57331 2.06579 -48.68064 697.99855
3355.0000 -51.31368 -49.66279 1.65089 1.99467 -49.23900 699.53439
3360.0000 -51.18863 -49.91982 1.26881 1.93031 -49.74431 645.65812
3365.0000 -51.69865 -49.38828 2.31037 1.92359 -49.79712 636.99765
3370.0000 -51.64840 -50.01878 1.62962 1.95772 -49.52911 691.99064
3375.0000 -50.59321 -48.94391 1.64930 2.00176 -49.18334 689.88207
3380.0000 -50.59843 -48.52838 2.07005 2.07440 -48.61300 723.47457
3385.0000 -51.10981 -49.24236 1.86745 2.06079 -48.71986 756.42007
3390.0000 -50.92580 -48.79822 2.12758 2.00490 -49.15865 726.57886
3395.0000 -51.59227 -49.56742 2.02485 1.98805 -49.29096 676.23110
3400.0000 -50.64873 -48.27096 2.37778 2.02675 -48.98709 744.22628
3405.0000 -51.31167 -48.54913 2.76254 2.12194 -48.23976 808.38802
3410.0000 -51.00543 -49.06290 1.94254 2.08600 -48.52192 720.49298
3415.0000 -51.00062 -48.76718 2.23344 2.04149 -48.87142 746.96283
3420.0000 -50.96498 -48.86916 2.09581 2.02201 -49.02432 709.08204
3425.0000 -51.27716 -49.30426 1.97290 2.00534 -49.15519 711.16372
3430.0000 -50.80666 -48.60360 2.20306 2.02526 -48.99885 743.32043
3435.0000 -50.68683 -48.46235 2.22448 2.05186 -48.79000 765.60408
3440.0000 -51.19998 -48.73929 2.46069 2.10618 -48.36352 823.62069
3445.0000 -50.80353 -49.26920 1.53432 2.02669 -48.98760 716.89809
3450.0000 -51.00510 -49.11380 1.89131 2.03784 -48.90009 766.61282
3455.0000 -51.59083 -49.37706 2.21377 1.99801 -49.21277 722.98275
3460.0000 -50.38457 -48.80517 1.57940 1.99994 -49.19765 691.71359
3465.0000 -51.23524 -48.55247 2.68277 2.03726 -48.90459 694.16003
3470.0000 -51.15452 -47.98070 3.17382 2.13088 -48.16959 822.55429
3475.0000 -51.01864 -48.54214 2.47650 2.09313 -48.46592 774.07710
3480.0000 -51.43345 -49.47732 1.95612 2.03939 -48.88790 801.95749
3485.0000 -51.57719 -49.51169 2.06549 1.95598 -49.54281 654.02520
3490.0000 -50.81774 -48.64983 2.16791 2.03874 -48.89302 779.99252
3495.0000 -51.66260 -49.74857 1.91403 2.01474 -49.08146 740.16123
3500.0000 -51.32406 -49.19909 2.12497 1.89795 -49.99838 626.29300
FREEZING PROCESS: loop number 15 T-loop= 676.00000000000000
main_MD> interactions number 15 at Temperature= 676.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.60920 2.78176 -0.86458
force_rgl> df(natom) -2.48770 -0.48745 0.30430
3505.0000 -51.25088 -49.41397 1.83691 2.04279 -48.86122 775.52536
3510.0000 -51.32066 -49.18628 2.13438 1.99950 -49.20110 688.99530
3515.0000 -51.22041 -49.57867 1.64174 1.97165 -49.41977 707.23839
3520.0000 -51.30625 -49.51843 1.78782 1.93766 -49.68664 637.88637
3525.0000 -51.35316 -49.52480 1.82835 1.96699 -49.45636 639.84483
3530.0000 -51.34272 -49.45178 1.89094 1.99380 -49.24586 712.01832
3535.0000 -51.53843 -49.72090 1.81752 1.93990 -49.66904 641.24686
3540.0000 -51.53568 -49.93995 1.59573 1.94488 -49.62990 636.16530
3545.0000 -51.92728 -50.22063 1.70666 1.87471 -50.18082 552.05823
3550.0000 -51.59765 -49.91418 1.68347 1.87693 -50.16340 599.94785
3555.0000 -50.95988 -49.05757 1.90230 1.97633 -49.38297 736.50551
3560.0000 -51.94982 -49.45063 2.49919 2.02120 -49.03068 698.60460
3565.0000 -51.17248 -49.35201 1.82046 1.97562 -49.38859 698.42390
3570.0000 -51.11290 -48.76313 2.34977 2.00650 -49.14610 719.23106
3575.0000 -51.64789 -49.52910 2.11879 1.99791 -49.21359 716.54803
3580.0000 -51.10379 -49.35889 1.74490 2.01637 -49.06860 727.43495
3585.0000 -50.97087 -49.08202 1.88885 2.02276 -49.01843 729.04061
3590.0000 -51.07987 -48.58745 2.49242 1.99058 -49.27114 696.51053
3595.0000 -50.36411 -48.07310 2.29101 2.12305 -48.23106 782.51158
3600.0000 -51.40825 -48.74078 2.66747 2.13871 -48.10804 809.82102
3605.0000 -51.64640 -49.83191 1.81449 1.99274 -49.25418 698.08216
3610.0000 -51.67289 -49.81149 1.86140 1.91333 -49.87766 650.04766
3615.0000 -51.51888 -49.11257 2.40632 1.96478 -49.47368 663.52193
3620.0000 -51.82689 -49.99285 1.83404 1.94379 -49.63850 631.56122
3625.0000 -52.02372 -50.45164 1.57208 1.89682 -50.00725 584.38760
3630.0000 -52.18854 -50.77201 1.41653 1.81279 -50.66703 502.31945
3635.0000 -51.53756 -49.26881 2.26875 1.90299 -49.95881 625.85681
3640.0000 -50.86718 -48.80042 2.06675 2.02345 -49.01307 723.56762
3645.0000 -51.30689 -49.56795 1.73895 1.98531 -49.31248 693.97949
3650.0000 -51.44647 -49.80352 1.64294 1.94922 -49.59587 614.49884
3655.0000 -51.54421 -49.22126 2.32295 1.96308 -49.48705 669.95596
3660.0000 -51.87167 -50.22319 1.64847 1.94536 -49.62613 661.91220
3665.0000 -52.00282 -50.33073 1.67209 1.86206 -50.28021 554.18175
3670.0000 -51.95066 -49.69744 2.25323 1.86968 -50.22032 546.81185
3675.0000 -51.82938 -49.98842 1.84096 1.92226 -49.80750 659.21468
3680.0000 -51.48699 -49.03249 2.45450 1.98310 -49.32982 645.04225
3685.0000 -50.91218 -48.97133 1.94086 2.05002 -48.80439 664.52985
3690.0000 -51.67182 -49.72109 1.95073 1.98032 -49.35167 673.26600
3695.0000 -50.94079 -49.25893 1.68186 1.98466 -49.31763 669.23474
3700.0000 -50.68295 -48.65203 2.03092 2.02175 -49.02638 710.28262
3705.0000 -51.74862 -50.33685 1.41177 1.93682 -49.69319 667.13043
3710.0000 -51.47544 -49.90369 1.57175 1.89789 -49.99883 575.04247
3715.0000 -52.15288 -50.39592 1.75695 1.87460 -50.18172 575.05497
3720.0000 -51.65057 -49.64292 2.00764 1.89850 -49.99410 587.19290
3725.0000 -51.39548 -49.06509 2.33039 2.02206 -49.02394 715.16374
3730.0000 -51.76233 -50.04173 1.72060 1.99652 -49.22451 712.84311
3735.0000 -51.17062 -49.31930 1.85132 1.94004 -49.66790 635.45834
3740.0000 -51.47930 -49.81650 1.66280 2.00000 -49.19712 706.73913
3745.0000 -50.99391 -48.47980 2.51411 1.96994 -49.43319 711.04679
3750.0000 -51.43160 -49.81054 1.62106 2.00814 -49.13324 729.95112
FREEZING PROCESS: loop number 16 T-loop= 651.00000000000000
main_MD> interactions number 16 at Temperature= 651.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91140 1.11961 -0.81462
force_rgl> df(natom) 0.55548 0.99129 -0.09932
3755.0000 -52.22077 -50.32254 1.89823 1.90333 -49.95615 608.65201
3760.0000 -52.12512 -50.11888 2.00624 1.87102 -50.20981 574.09832
3765.0000 -51.27239 -49.39177 1.88062 1.93298 -49.72335 612.74752
3770.0000 -51.10950 -49.42704 1.68246 2.00387 -49.16674 685.85889
3775.0000 -51.33155 -49.30261 2.02894 1.94523 -49.62717 614.53592
3780.0000 -51.18258 -49.05254 2.13004 1.97770 -49.37222 697.73800
3785.0000 -51.71344 -49.80747 1.90597 1.96394 -49.48025 692.20490
3790.0000 -51.72316 -49.64154 2.08162 1.95563 -49.54552 645.92031
3795.0000 -51.12378 -48.58404 2.53974 1.97847 -49.36619 697.11209
3800.0000 -50.70258 -48.17227 2.53031 2.11839 -48.26763 777.69854
3805.0000 -51.18322 -48.31542 2.86780 2.14552 -48.05461 835.63961
3810.0000 -51.95359 -50.01798 1.93561 2.01666 -49.06633 717.52071
3815.0000 -51.37086 -49.35989 2.01097 1.93190 -49.73185 651.66122
3820.0000 -50.67619 -48.86090 1.81529 1.98290 -49.33142 678.53201
3825.0000 -51.82061 -50.09810 1.72251 1.98153 -49.34215 707.37490
3830.0000 -51.76852 -50.27709 1.49143 1.88785 -50.07771 596.77345
3835.0000 -51.85259 -49.94651 1.90609 1.89785 -49.99921 595.95703
3840.0000 -51.78510 -49.93665 1.84845 1.87565 -50.17350 596.90036
3845.0000 -51.43699 -49.85870 1.57829 1.89715 -50.00466 576.32009
3850.0000 -51.36324 -49.69283 1.67041 1.93275 -49.72517 657.40851
3855.0000 -51.00582 -49.35845 1.64737 1.96662 -49.45923 661.75415
3860.0000 -51.24324 -49.19422 2.04903 1.99809 -49.21212 705.40837
3865.0000 -51.03188 -49.34598 1.68591 1.99956 -49.20060 626.69924
3870.0000 -51.51442 -50.20509 1.30933 1.92181 -49.81104 589.50618
3875.0000 -51.80654 -50.02420 1.78234 1.86564 -50.25209 531.36173
3880.0000 -51.53673 -49.85065 1.68607 1.85903 -50.30397 566.83914
3885.0000 -51.75531 -50.23875 1.51656 1.90969 -49.90624 615.47474
3890.0000 -52.03411 -50.37879 1.65532 1.85949 -50.30035 568.84954
3895.0000 -51.68684 -49.04115 2.64568 1.93553 -49.70332 659.03979
3900.0000 -51.75301 -49.97107 1.78193 1.94778 -49.60714 645.56090
3905.0000 -51.38727 -49.54277 1.84450 1.92643 -49.77478 617.94050
3910.0000 -51.43667 -49.59889 1.83778 1.93370 -49.71771 622.87295
3915.0000 -51.42832 -49.80428 1.62404 1.90784 -49.92077 622.50580
3920.0000 -51.71752 -49.95393 1.76360 1.89922 -49.98841 560.02985
3925.0000 -51.62094 -49.89530 1.72563 1.89408 -50.02876 645.38166
3930.0000 -51.48951 -49.67482 1.81469 1.93615 -49.69850 642.07102
3935.0000 -51.27883 -49.73590 1.54293 1.97575 -49.38758 680.99133
3940.0000 -51.53408 -49.98174 1.55234 1.93426 -49.71330 626.70507
3945.0000 -51.57264 -49.77004 1.80260 1.93075 -49.74083 637.04563
3950.0000 -51.07230 -49.16561 1.90670 1.92988 -49.74772 639.44543
3955.0000 -51.27566 -49.64572 1.62994 1.96177 -49.49730 622.67931
3960.0000 -51.58363 -48.89330 2.69033 1.99540 -49.23327 696.96517
3965.0000 -51.41020 -49.22376 2.18643 2.03685 -48.90786 734.46062
3970.0000 -50.63958 -48.84726 1.79232 2.01989 -49.04101 738.75750
3975.0000 -51.21426 -49.43326 1.78100 2.00201 -49.18141 725.03302
3980.0000 -51.63796 -49.66023 1.97773 1.92258 -49.80499 625.85769
3985.0000 -50.74332 -49.22283 1.52049 1.94731 -49.61085 672.12832
3990.0000 -50.91970 -48.75966 2.16004 2.04099 -48.87533 751.05862
3995.0000 -51.57063 -49.43849 2.13214 2.01428 -49.08505 683.99714
4000.0000 -51.26236 -49.20167 2.06068 2.01175 -49.10490 698.97958
FREEZING PROCESS: loop number 17 T-loop= 626.00000000000000
main_MD> interactions number 17 at Temperature= 626.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.11746 -1.17041 -1.05980
force_rgl> df(natom) -2.11924 1.18360 -0.67260
4005.0000 -51.82667 -49.48172 2.34495 1.96774 -49.45043 664.67620
4010.0000 -51.18541 -49.17918 2.00623 1.97106 -49.42435 693.06039
4015.0000 -51.20345 -49.31918 1.88428 1.99628 -49.22637 673.61917
4020.0000 -51.62388 -49.66239 1.96150 1.94228 -49.65030 633.22709
4025.0000 -50.92062 -48.88103 2.03958 1.97214 -49.41590 688.00333
4030.0000 -51.38937 -49.41436 1.97501 2.05509 -48.76459 777.92644
4035.0000 -51.05829 -49.33653 1.72176 1.96194 -49.49595 701.08021
4040.0000 -51.05768 -48.98893 2.06875 1.97873 -49.36417 636.69053
4045.0000 -51.38342 -48.89906 2.48436 2.06539 -48.68372 751.66246
4050.0000 -51.22722 -48.95982 2.26741 1.98590 -49.30782 701.99517
4055.0000 -51.26316 -49.29697 1.96619 2.04564 -48.83885 784.96378
4060.0000 -51.83902 -49.98686 1.85217 1.95130 -49.57953 671.89252
4065.0000 -51.34010 -49.80552 1.53459 1.92883 -49.75598 626.82324
4070.0000 -50.61014 -48.99773 1.61241 2.00309 -49.17293 690.36906
4075.0000 -51.25224 -49.33103 1.92121 1.98272 -49.33284 672.28345
4080.0000 -51.61800 -50.14069 1.47731 1.92291 -49.80242 623.03705
4085.0000 -52.23963 -50.46184 1.77780 1.84941 -50.37950 544.07973
4090.0000 -51.74779 -49.90339 1.84440 1.89436 -50.02660 596.70934
4095.0000 -51.82673 -50.12813 1.69859 1.89752 -50.00175 579.75286
4100.0000 -51.95469 -50.53041 1.42428 1.90351 -49.95475 586.55042
4105.0000 -52.25540 -50.89756 1.35784 1.82271 -50.58913 530.11410
4110.0000 -51.96993 -50.63046 1.33946 1.78668 -50.87198 455.30021
4115.0000 -51.70883 -50.14477 1.56406 1.86227 -50.27851 531.27802
4120.0000 -51.91041 -50.24163 1.66878 1.86077 -50.29030 540.94935
4125.0000 -51.93114 -50.37985 1.55129 1.85418 -50.34207 556.94138
4130.0000 -51.52120 -49.44960 2.07160 1.90138 -49.97144 628.14355
4135.0000 -51.34976 -49.47226 1.87751 2.00290 -49.17436 686.42274
4140.0000 -51.33688 -50.00332 1.33355 1.91723 -49.84701 660.13803
4145.0000 -52.27237 -50.43602 1.83635 1.85462 -50.33858 569.82948
4150.0000 -51.42750 -50.26696 1.16053 1.85459 -50.33886 545.67908
4155.0000 -51.12973 -49.43946 1.69027 1.91605 -49.85628 651.40316
4160.0000 -51.28056 -49.87314 1.40742 1.90696 -49.92767 583.57639
4165.0000 -51.98850 -49.91062 2.07788 1.92231 -49.80716 636.47238
4170.0000 -51.66607 -49.94792 1.71815 1.93092 -49.73954 627.63009
4175.0000 -51.70797 -49.52534 2.18264 1.90542 -49.93972 588.52095
4180.0000 -52.16185 -50.29495 1.86690 1.90553 -49.93887 623.38820
4185.0000 -51.42828 -49.90367 1.52461 1.87289 -50.19511 589.61999
4190.0000 -51.65467 -50.12398 1.53069 1.87102 -50.20981 583.08950
4195.0000 -51.58165 -50.25515 1.32650 1.86956 -50.22133 561.29357
4200.0000 -51.63559 -49.84016 1.79543 1.89233 -50.04254 604.20929
4205.0000 -51.92845 -50.52907 1.39938 1.88677 -50.08621 558.43567
4210.0000 -51.47304 -49.91755 1.55549 1.86930 -50.22333 549.17799
4215.0000 -51.46142 -50.04067 1.42074 1.93869 -49.67852 670.38165
4220.0000 -51.11853 -49.17801 1.94052 1.94908 -49.59692 622.91609
4225.0000 -51.52056 -49.48947 2.03109 1.96955 -49.43621 645.93293
4230.0000 -51.81848 -49.95702 1.86146 1.96936 -49.43772 640.65608
4235.0000 -51.35699 -49.20931 2.14768 1.92777 -49.76426 599.62272
4240.0000 -51.44553 -49.95068 1.49485 1.96503 -49.47171 656.59795
4245.0000 -51.86601 -50.12611 1.73990 1.91922 -49.83140 571.67621
4250.0000 -51.58351 -50.09683 1.48668 1.87970 -50.14167 571.01798
FREEZING PROCESS: loop number 18 T-loop= 601.00000000000000
main_MD> interactions number 18 at Temperature= 601.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.81703 0.31904 -1.50280
force_rgl> df(natom) 0.49259 -1.43869 -2.62002
4255.0000 -51.73711 -49.94169 1.79542 1.87125 -50.20806 565.77706
4260.0000 -52.00037 -49.97096 2.02941 1.87519 -50.17710 563.75176
4265.0000 -51.96880 -50.45198 1.51681 1.86817 -50.23221 583.58749
4270.0000 -52.14970 -50.49730 1.65240 1.89168 -50.04763 593.71591
4275.0000 -51.96720 -50.47025 1.49696 1.84497 -50.41438 554.55873
4280.0000 -52.21616 -51.01723 1.19893 1.79399 -50.81459 477.53023
4285.0000 -52.01616 -50.83436 1.18180 1.77669 -50.95044 451.80400
4290.0000 -51.74007 -50.22016 1.51992 1.84254 -50.43342 542.72057
4295.0000 -51.27462 -49.51284 1.76178 1.94733 -49.61071 656.89344
4300.0000 -51.87277 -50.41563 1.45714 1.92399 -49.79396 603.88645
4305.0000 -51.54505 -49.75829 1.78676 1.89045 -50.05728 579.12707
4310.0000 -51.95446 -50.28427 1.67019 1.86327 -50.27071 528.26125
4315.0000 -51.66926 -49.63918 2.03008 1.90316 -49.95750 602.18927
4320.0000 -51.20682 -49.62855 1.57828 1.94165 -49.65530 656.84523
4325.0000 -51.31321 -49.49776 1.81546 1.92161 -49.81260 590.23927
4330.0000 -51.52877 -49.54721 1.98156 1.98779 -49.29302 710.76340
4335.0000 -52.11035 -49.86261 2.24774 1.91166 -49.89073 601.70585
4340.0000 -51.89009 -50.15967 1.73043 1.88687 -50.08538 594.79196
4345.0000 -52.04159 -50.54991 1.49168 1.87466 -50.18125 580.38768
4350.0000 -51.94278 -50.49713 1.44566 1.84828 -50.38840 559.04553
4355.0000 -51.47114 -49.53596 1.93518 1.87396 -50.18671 571.24471
4360.0000 -51.39670 -49.34951 2.04719 1.95325 -49.56421 648.67700
4365.0000 -51.58593 -49.56854 2.01738 1.95802 -49.52673 656.59955
4370.0000 -51.80179 -49.69720 2.10458 1.91595 -49.85707 613.13151
4375.0000 -51.57417 -49.24652 2.32765 1.99585 -49.22972 691.76472
4380.0000 -51.49615 -49.61457 1.88158 1.95222 -49.57228 660.45685
4385.0000 -51.57615 -49.64623 1.92992 1.94634 -49.61843 649.03096
4390.0000 -51.55317 -49.82276 1.73041 1.98407 -49.32222 666.03025
4395.0000 -51.66329 -49.64396 2.01933 1.91963 -49.82820 595.17199
4400.0000 -52.00992 -50.69249 1.31743 1.87456 -50.18206 576.11500
4405.0000 -51.94075 -50.32751 1.61323 1.84988 -50.37583 543.07339
4410.0000 -52.35616 -50.86602 1.49014 1.81142 -50.67776 504.67542
4415.0000 -52.01986 -49.95663 2.06323 1.83629 -50.48254 556.02796
4420.0000 -50.99904 -49.42796 1.57108 1.93218 -49.72962 633.73346
4425.0000 -51.33367 -49.56151 1.77217 1.93377 -49.71713 625.80177
4430.0000 -51.98035 -50.28022 1.70013 1.89903 -49.98992 603.16279
4435.0000 -51.90749 -49.97857 1.92891 1.90202 -49.96642 612.66624
4440.0000 -52.17270 -50.88846 1.28425 1.86260 -50.27591 548.90818
4445.0000 -51.82131 -50.07516 1.74615 1.83153 -50.51986 499.10696
4450.0000 -52.12648 -50.33019 1.79629 1.86888 -50.22662 559.49335
4455.0000 -51.92741 -50.30273 1.62468 1.82931 -50.53729 498.09241
4460.0000 -51.53279 -49.70676 1.82603 1.92206 -49.80907 622.29255
4465.0000 -51.82623 -50.41567 1.41056 1.85323 -50.34951 530.69248
4470.0000 -51.59437 -50.15357 1.44080 1.86494 -50.25754 529.03988
4475.0000 -51.66134 -50.06556 1.59578 1.85425 -50.34146 501.84040
4480.0000 -51.18476 -50.09604 1.08873 1.90390 -49.95165 586.32144
4485.0000 -51.77794 -49.87728 1.90066 1.96957 -49.43608 712.18741
4490.0000 -51.84758 -49.94494 1.90265 1.90006 -49.98181 610.18875
4495.0000 -51.75510 -49.74225 2.01285 1.91667 -49.85140 603.59136
4500.0000 -51.86364 -50.34781 1.51583 1.87667 -50.16547 588.92550
FREEZING PROCESS: loop number 19 T-loop= 576.00000000000000
main_MD> interactions number 19 at Temperature= 576.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22763 -1.43893 -1.91896
force_rgl> df(natom) -1.60708 2.43439 0.20749
4505.0000 -51.86381 -50.31202 1.55179 1.84871 -50.38498 548.75428
4510.0000 -51.83417 -50.52931 1.30486 1.84480 -50.41569 521.34730
4515.0000 -52.25180 -50.46399 1.78781 1.84906 -50.38221 572.31911
4520.0000 -52.08621 -50.60014 1.48607 1.83504 -50.49235 543.40595
4525.0000 -52.21619 -50.02087 2.19531 1.87394 -50.18688 600.72237
4530.0000 -52.21062 -51.03554 1.17508 1.85397 -50.34369 516.28197
4535.0000 -51.81644 -50.21253 1.60391 1.79885 -50.77646 498.92342
4540.0000 -52.21049 -50.54869 1.66180 1.84253 -50.43352 549.17473
4545.0000 -52.33970 -50.79840 1.54130 1.84664 -50.40124 560.37348
4550.0000 -52.00237 -49.92085 2.08152 1.86926 -50.22364 584.59775
4555.0000 -51.64372 -50.19319 1.45054 1.90441 -49.94767 587.60905
4560.0000 -52.07017 -50.57540 1.49477 1.84350 -50.42591 523.06259
4565.0000 -52.13145 -51.12278 1.00867 1.82765 -50.55038 508.76134
4570.0000 -52.03688 -49.69152 2.34536 1.82282 -50.58823 494.38684
4575.0000 -51.93710 -50.01978 1.91732 1.87676 -50.16478 594.60112
4580.0000 -52.25155 -50.86781 1.38374 1.81056 -50.68455 499.16184
4585.0000 -51.79107 -50.48293 1.30814 1.80007 -50.76692 501.31611
4590.0000 -52.00338 -50.42703 1.57636 1.84275 -50.43175 517.60791
4595.0000 -51.66517 -50.08765 1.57752 1.88420 -50.10632 572.58861
4600.0000 -51.58472 -50.06439 1.52032 1.87507 -50.17803 547.14102
4605.0000 -51.50675 -50.04479 1.46196 1.90137 -49.97156 593.60480
4610.0000 -51.43968 -49.81461 1.62507 1.92064 -49.82024 582.79472
4615.0000 -51.25687 -49.29143 1.96543 1.94368 -49.63931 576.56801
4620.0000 -52.01311 -50.64294 1.37017 1.91955 -49.82883 575.55540
4625.0000 -52.20214 -50.65314 1.54899 1.82553 -50.56696 494.25243
4630.0000 -52.45536 -50.65651 1.79886 1.83169 -50.51859 543.03372
4635.0000 -51.98915 -50.65731 1.33184 1.80322 -50.74219 499.79589
4640.0000 -51.53153 -50.22940 1.30213 1.83871 -50.46349 527.23032
4645.0000 -52.13750 -50.67000 1.46750 1.86155 -50.28419 570.47170
4650.0000 -51.76316 -49.66565 2.09751 1.86089 -50.28933 563.88436
4655.0000 -51.09547 -49.62816 1.46731 1.93820 -49.68233 622.43591
4660.0000 -52.29696 -50.41813 1.87883 1.93518 -49.70611 637.12462
4665.0000 -52.07744 -50.28721 1.79023 1.82309 -50.58616 505.30937
4670.0000 -51.94743 -50.66148 1.28595 1.80741 -50.70923 493.52927
4675.0000 -52.17006 -50.53166 1.63841 1.83485 -50.49378 564.54757
4680.0000 -51.83681 -50.31924 1.51757 1.84137 -50.44262 528.11987
4685.0000 -51.83781 -50.23523 1.60258 1.85567 -50.33035 564.31799
4690.0000 -51.77590 -50.07421 1.70169 1.87161 -50.20522 567.42312
4695.0000 -51.25781 -49.75298 1.50483 1.93205 -49.73067 603.81911
4700.0000 -51.50363 -49.63603 1.86760 1.93512 -49.70655 610.45762
4705.0000 -51.93353 -50.13017 1.80336 1.92819 -49.76096 630.67657
4710.0000 -52.20375 -50.56376 1.63999 1.84705 -50.39801 558.97322
4715.0000 -51.88976 -49.93147 1.95829 1.89293 -50.03779 580.71986
4720.0000 -51.36890 -49.79502 1.57388 1.92527 -49.78390 627.36067
4725.0000 -51.46219 -49.80720 1.65499 1.92458 -49.78930 637.33747
4730.0000 -52.29336 -50.61203 1.68132 1.85312 -50.35035 579.22328
4735.0000 -51.37654 -49.79831 1.57824 1.86826 -50.23148 578.72508
4740.0000 -50.85096 -48.73512 2.11584 1.99714 -49.21960 630.52959
4745.0000 -50.50225 -48.86463 1.63762 2.03607 -48.91395 686.50062
4750.0000 -50.28579 -48.97556 1.31023 2.00637 -49.14712 710.22822
FREEZING PROCESS: loop number 20 T-loop= 551.00000000000000
main_MD> interactions number 20 at Temperature= 551.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.58603 -1.32519 0.99952
force_rgl> df(natom) 2.49000 -1.66322 -1.05942
4755.0000 -52.34168 -50.71795 1.62373 1.91126 -49.89389 616.68785
4760.0000 -52.33552 -51.00360 1.33192 1.77334 -50.97676 459.83229
4765.0000 -52.22982 -50.30795 1.92188 1.83602 -50.48463 553.63143
4770.0000 -52.74451 -51.78446 0.96005 1.75365 -51.13136 445.57733
4775.0000 -52.52065 -51.36510 1.15556 1.70579 -51.50711 377.29434
4780.0000 -51.97828 -50.79852 1.17976 1.75756 -51.10066 442.89894
4785.0000 -52.14581 -50.68285 1.46296 1.83967 -50.45597 554.87742
4790.0000 -51.54535 -50.19874 1.34661 1.86449 -50.26107 584.02944
4795.0000 -51.34066 -49.82866 1.51200 1.90851 -49.91544 615.04374
4800.0000 -51.75154 -50.09361 1.65793 1.91801 -49.84089 621.84636
4805.0000 -51.76088 -50.35546 1.40542 1.87631 -50.16831 527.75724
4810.0000 -51.86853 -50.39380 1.47472 1.83943 -50.45789 514.60734
4815.0000 -52.02896 -50.49701 1.53196 1.86249 -50.27678 559.86516
4820.0000 -52.09251 -50.65560 1.43691 1.81548 -50.64588 481.14627
4825.0000 -51.63979 -50.48714 1.15265 1.80083 -50.76091 483.59393
4830.0000 -52.09329 -50.19530 1.89799 1.85973 -50.29849 568.85437
4835.0000 -51.50437 -50.03331 1.47107 1.90629 -49.93288 548.67933
4840.0000 -51.69938 -50.22054 1.47884 1.89721 -50.00421 537.91184
4845.0000 -51.86271 -50.49425 1.36845 1.87231 -50.19967 498.10313
4850.0000 -51.24036 -49.77223 1.46812 1.87290 -50.19503 514.46949
4855.0000 -51.14669 -49.74123 1.40546 1.95689 -49.53562 626.70320
4860.0000 -51.65012 -49.57260 2.07752 1.91653 -49.85247 616.15675
4865.0000 -51.50497 -49.95097 1.55400 1.93621 -49.69797 648.53566
4870.0000 -52.32637 -50.58187 1.74450 1.86149 -50.28465 576.51966
4875.0000 -51.50399 -50.18736 1.31663 1.86552 -50.25302 575.50388
4880.0000 -51.04976 -49.56398 1.48578 1.91579 -49.85829 595.81352
4885.0000 -51.66623 -49.67303 1.99320 1.94783 -49.60677 640.03127
4890.0000 -51.38010 -49.86567 1.51443 1.94686 -49.61441 631.65738
4895.0000 -51.48029 -50.18271 1.29758 1.86083 -50.28982 569.10965
4900.0000 -52.53159 -51.08325 1.44833 1.77650 -50.95198 454.71719
4905.0000 -51.76650 -50.49833 1.26817 1.85940 -50.30105 548.60187
4910.0000 -52.54081 -51.31096 1.22985 1.78754 -50.86528 450.95386
4915.0000 -51.96126 -50.80881 1.15245 1.75890 -51.09013 431.53995
4920.0000 -52.15893 -49.96035 2.19858 1.87837 -50.15209 626.87164
4925.0000 -51.66390 -49.92437 1.73952 1.88130 -50.12913 608.09501
4930.0000 -51.80689 -50.56107 1.24583 1.90528 -49.94084 608.96699
4935.0000 -51.50895 -49.94946 1.55949 1.88836 -50.07369 627.82843
4940.0000 -51.34124 -50.09282 1.24842 1.89160 -50.04821 550.77895
4945.0000 -52.06340 -50.15851 1.90489 1.85089 -50.36785 537.61886
4950.0000 -51.77239 -49.86996 1.90243 1.87049 -50.21399 559.37782
4955.0000 -52.18605 -49.64476 2.54130 1.89661 -50.00891 596.93764
4960.0000 -51.68309 -50.17595 1.50714 1.92314 -49.80065 641.18389
4965.0000 -51.49407 -49.87972 1.61435 1.86155 -50.28417 564.60137
4970.0000 -52.37670 -49.97220 2.40450 1.86284 -50.27408 553.91167
4975.0000 -51.94214 -50.30697 1.63517 1.88822 -50.07480 602.77679
4980.0000 -51.67372 -50.54365 1.13007 1.87228 -50.19990 532.15718
4985.0000 -51.84703 -49.74521 2.10181 1.89963 -49.98523 582.01248
4990.0000 -51.94404 -50.37671 1.56734 1.95450 -49.55442 633.92748
4995.0000 -52.28086 -51.24391 1.03695 1.82021 -50.60877 500.67334
5000.0000 -52.48536 -51.37454 1.11083 1.75070 -51.15453 445.68020
FREEZING PROCESS: loop number 21 T-loop= 526.00000000000000
main_MD> interactions number 21 at Temperature= 526.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.34615 0.35775 -0.50612
force_rgl> df(natom) 1.40670 1.24745 0.96640
5005.0000 -52.17654 -50.66395 1.51259 1.75388 -51.12951 439.60436
5010.0000 -51.92961 -50.43498 1.49463 1.83679 -50.47859 547.16833
5015.0000 -51.99344 -50.74340 1.25003 1.78870 -50.85619 465.66174
5020.0000 -51.87194 -49.96849 1.90345 1.90301 -49.95868 599.73193
5025.0000 -51.57354 -49.85718 1.71636 1.88635 -50.08945 566.72618
5030.0000 -52.28605 -50.56755 1.71850 1.84471 -50.41639 561.70540
5035.0000 -51.68685 -50.23985 1.44700 1.83852 -50.46501 544.21368
5040.0000 -51.86773 -50.46103 1.40670 1.82589 -50.56414 517.75543
5045.0000 -51.57264 -49.64634 1.92630 1.82622 -50.56155 520.65693
5050.0000 -51.47287 -49.60583 1.86704 1.95459 -49.55369 633.52357
5055.0000 -52.15925 -50.43538 1.72388 1.87633 -50.16810 525.42286
5060.0000 -52.21846 -51.18813 1.03033 1.79901 -50.77521 493.18681
5065.0000 -52.32666 -51.33188 0.99478 1.72998 -51.31723 398.17195
5070.0000 -52.43311 -50.88155 1.55155 1.78662 -50.87252 486.74310
5075.0000 -51.91393 -50.49328 1.42065 1.81884 -50.61952 521.40772
5080.0000 -52.45005 -51.37495 1.07510 1.76631 -51.03195 452.99685
5085.0000 -51.78169 -50.86848 0.91322 1.77699 -50.94811 456.66737
5090.0000 -52.64452 -51.07345 1.57106 1.78110 -50.91585 474.36175
5095.0000 -52.32061 -51.21019 1.11042 1.74966 -51.16270 432.81807
5100.0000 -51.62633 -50.57852 1.04781 1.79320 -50.82085 485.83027
5105.0000 -51.66885 -50.24679 1.42206 1.87771 -50.15729 556.49072
5110.0000 -51.79492 -50.36084 1.43407 1.88297 -50.11600 572.88745
5115.0000 -52.04691 -50.64941 1.39750 1.85407 -50.34289 546.83242
5120.0000 -52.02768 -50.57612 1.45157 1.86834 -50.23085 569.73866
5125.0000 -52.04975 -50.34331 1.70644 1.83262 -50.51134 494.41537
5130.0000 -52.10975 -50.29283 1.81693 1.87904 -50.14686 595.41074
5135.0000 -52.16562 -50.45669 1.70893 1.83666 -50.47961 502.20109
5140.0000 -51.92962 -50.15090 1.77872 1.81624 -50.63993 524.88019
5145.0000 -51.28140 -50.05988 1.22152 1.86636 -50.24642 550.65804
5150.0000 -51.58956 -50.28795 1.30160 1.87204 -50.20184 526.86234
5155.0000 -51.00641 -49.61252 1.39389 1.89252 -50.04104 586.35660
5160.0000 -52.17845 -50.15886 2.01959 1.92124 -49.81557 559.89318
5165.0000 -52.28146 -50.64871 1.63274 1.87122 -50.20827 579.07141
5170.0000 -52.05902 -50.26457 1.79445 1.83916 -50.46001 509.66967
5175.0000 -51.90553 -50.63302 1.27251 1.85471 -50.33787 486.99110
5180.0000 -51.98504 -50.82812 1.15692 1.80771 -50.70687 463.05806
5185.0000 -52.20692 -50.70530 1.50162 1.81211 -50.67236 516.63364
5190.0000 -51.59636 -50.19802 1.39834 1.86096 -50.28878 539.41079
5195.0000 -51.94613 -50.15526 1.79086 1.89399 -50.02946 563.51370
5200.0000 -51.89299 -50.25399 1.63900 1.90416 -49.94961 583.95381
5205.0000 -51.07862 -49.41235 1.66627 1.96841 -49.44519 633.50168
5210.0000 -51.56959 -49.80200 1.76759 1.96088 -49.50429 689.33636
5215.0000 -51.24568 -49.32695 1.91874 1.91040 -49.90066 614.83821
5220.0000 -52.12081 -50.65539 1.46541 1.90373 -49.95300 600.66909
5225.0000 -52.20257 -50.53951 1.66306 1.80913 -50.69578 503.54667
5230.0000 -52.18253 -50.73309 1.44944 1.82138 -50.59959 513.11932
5235.0000 -51.82982 -50.31494 1.51487 1.81179 -50.67488 501.78967
5240.0000 -51.95614 -50.32386 1.63228 1.85300 -50.35132 542.48491
5245.0000 -51.99350 -50.71866 1.27484 1.82330 -50.58450 501.15641
5250.0000 -52.37308 -51.05986 1.31322 1.79558 -50.80214 478.25528
FREEZING PROCESS: loop number 22 T-loop= 501.00000000000000
main_MD> interactions number 22 at Temperature= 501.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93878 -0.56333 -0.47591
force_rgl> df(natom) -0.81503 2.79443 0.35050
5255.0000 -51.78320 -50.19484 1.58836 1.80751 -50.70850 508.55678
5260.0000 -52.09379 -50.81170 1.28210 1.84871 -50.38499 519.28266
5265.0000 -52.11887 -50.88570 1.23317 1.78239 -50.90574 467.46490
5270.0000 -52.23339 -50.74822 1.48518 1.79790 -50.78389 502.67263
5275.0000 -51.49145 -50.15609 1.33536 1.84561 -50.40931 529.28953
5280.0000 -52.15470 -50.52448 1.63022 1.87089 -50.21081 557.34663
5285.0000 -52.42876 -50.44748 1.98129 1.83291 -50.50903 524.50679
5290.0000 -51.94351 -50.67546 1.26805 1.80223 -50.74996 478.51517
5295.0000 -52.35198 -50.70804 1.64393 1.81304 -50.66504 495.28759
5300.0000 -51.63543 -50.27168 1.36374 1.83101 -50.52400 540.98936
5305.0000 -51.37937 -49.97867 1.40070 1.88213 -50.12262 533.67102
5310.0000 -52.29709 -50.38201 1.91508 1.87830 -50.15269 520.55175
5315.0000 -51.87890 -50.62350 1.25540 1.83618 -50.48337 493.50829
5320.0000 -51.69474 -49.99991 1.69483 1.85698 -50.32008 540.66105
5325.0000 -51.93855 -50.05824 1.88031 1.90605 -49.93483 636.40085
5330.0000 -51.96033 -50.06744 1.89289 1.86268 -50.27529 547.42380
5335.0000 -52.26503 -50.49617 1.76886 1.89504 -50.02121 588.01256
5340.0000 -52.31735 -51.12506 1.19229 1.79451 -50.81057 468.66480
5345.0000 -52.36209 -51.27422 1.08787 1.75041 -51.15682 427.38203
5350.0000 -52.66634 -51.31663 1.34971 1.73601 -51.26984 409.44858
5355.0000 -52.39124 -51.40149 0.98976 1.74195 -51.22325 422.96231
5360.0000 -52.61542 -50.68415 1.93128 1.73890 -51.24714 414.23071
5365.0000 -52.50995 -51.31025 1.19970 1.77846 -50.93656 496.93714
5370.0000 -52.59224 -51.56659 1.02566 1.71455 -51.43834 384.75859
5375.0000 -52.11384 -50.61780 1.49604 1.74753 -51.17936 429.74038
5380.0000 -51.87705 -50.70675 1.17030 1.83802 -50.46896 482.72420
5385.0000 -52.02173 -50.51326 1.50847 1.81974 -50.61246 476.28987
5390.0000 -52.04604 -50.82655 1.21949 1.81255 -50.66890 484.74898
5395.0000 -52.21982 -51.08371 1.13611 1.82766 -50.55028 535.10719
5400.0000 -52.52616 -50.85872 1.66744 1.76917 -51.00946 454.74407
5405.0000 -52.13982 -50.21612 1.92370 1.84608 -50.40567 568.37044
5410.0000 -51.71265 -50.17104 1.54161 1.86346 -50.26916 583.36617
5415.0000 -51.91143 -50.39060 1.52083 1.83095 -50.52443 546.62043
5420.0000 -52.75659 -51.43003 1.32657 1.80338 -50.74090 478.45928
5425.0000 -52.36546 -51.24141 1.12405 1.73569 -51.27236 419.62549
5430.0000 -52.04308 -50.68260 1.36048 1.81185 -50.67439 497.29442
5435.0000 -52.21434 -50.18167 2.03268 1.81492 -50.65029 499.38620
5440.0000 -52.34854 -51.18286 1.16568 1.78578 -50.87905 462.07815
5445.0000 -52.39375 -51.59916 0.79459 1.74378 -51.20883 408.82404
5450.0000 -52.13161 -51.02732 1.10429 1.74577 -51.19319 404.14711
5455.0000 -51.99608 -50.57752 1.41856 1.80678 -50.71418 514.40143
5460.0000 -51.85524 -50.54650 1.30874 1.83210 -50.51538 521.59996
5465.0000 -52.16732 -50.92889 1.23843 1.80357 -50.73939 500.37763
5470.0000 -52.13319 -50.81781 1.31538 1.80789 -50.70548 494.19769
5475.0000 -52.19606 -50.88474 1.31132 1.79687 -50.79199 485.66911
5480.0000 -51.90721 -50.43504 1.47217 1.80763 -50.70756 478.81612
5485.0000 -51.56709 -50.21538 1.35171 1.89879 -49.99178 596.54212
5490.0000 -52.28815 -50.89637 1.39178 1.82353 -50.58267 484.81428
5495.0000 -52.00860 -50.73330 1.27530 1.80331 -50.74148 473.68820
5500.0000 -52.16490 -51.10098 1.06392 1.78157 -50.91210 462.04017
FREEZING PROCESS: loop number 23 T-loop= 476.00000000000000
main_MD> interactions number 23 at Temperature= 476.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.55955 -1.92865 1.67215
force_rgl> df(natom) 1.24455 0.95751 0.01637
5505.0000 -51.93502 -50.68184 1.25318 1.76483 -51.04361 443.88081
5510.0000 -52.47563 -51.00388 1.47174 1.79784 -50.78437 484.05352
5515.0000 -52.18825 -50.59875 1.58950 1.80062 -50.76254 492.22231
5520.0000 -52.37232 -50.90762 1.46470 1.77615 -50.95472 454.60208
5525.0000 -52.81863 -51.28452 1.53412 1.73461 -51.28086 420.46346
5530.0000 -52.32591 -51.29508 1.03083 1.73269 -51.29591 399.84600
5535.0000 -52.32406 -50.64673 1.67733 1.78153 -50.91247 450.00580
5540.0000 -52.02880 -50.17371 1.85509 1.82282 -50.58825 509.44641
5545.0000 -52.03373 -50.43300 1.60073 1.83461 -50.49571 520.05563
5550.0000 -52.26475 -50.42886 1.83588 1.78991 -50.84663 466.35957
5555.0000 -51.98993 -50.32000 1.66994 1.82409 -50.57829 525.18810
5560.0000 -52.24677 -51.09074 1.15603 1.81834 -50.62342 506.07878
5565.0000 -52.34066 -51.20590 1.13476 1.76149 -51.06981 441.42528
5570.0000 -52.52816 -51.55432 0.97384 1.72594 -51.34894 393.56318
5575.0000 -52.31646 -51.03689 1.27957 1.76170 -51.06817 455.83718
5580.0000 -51.99159 -50.51657 1.47502 1.80778 -50.70633 495.24621
5585.0000 -52.21093 -51.05998 1.15096 1.80432 -50.73354 494.57071
5590.0000 -51.76318 -49.90471 1.85847 1.83357 -50.50390 543.54420
5595.0000 -52.37317 -51.18129 1.19188 1.83141 -50.52084 516.47567
5600.0000 -52.52507 -51.20159 1.32348 1.76034 -51.07885 454.65311
5605.0000 -52.17687 -51.11599 1.06087 1.74575 -51.19336 435.83970
5610.0000 -52.70453 -51.28265 1.42188 1.78792 -50.86232 479.37545
5615.0000 -52.21980 -50.98226 1.23755 1.74565 -51.19417 428.64419
5620.0000 -52.26749 -51.13724 1.13025 1.77780 -50.94173 487.59983
5625.0000 -52.51807 -51.14011 1.37795 1.72951 -51.32085 397.77277
5630.0000 -52.50647 -51.18390 1.32257 1.73852 -51.25014 415.17687
5635.0000 -52.34732 -50.96258 1.38474 1.77176 -50.98917 474.11927
5640.0000 -52.21187 -50.87354 1.33833 1.80534 -50.72553 505.77875
5645.0000 -52.20987 -51.29275 0.91711 1.72883 -51.32622 407.07675
5650.0000 -52.39334 -51.30651 1.08683 1.74416 -51.20583 420.25578
5655.0000 -52.63418 -51.46299 1.17119 1.74334 -51.21227 424.91843
5660.0000 -52.32927 -50.93510 1.39417 1.74827 -51.17360 430.45252
5665.0000 -52.17715 -50.93792 1.23923 1.82042 -50.60714 532.40207
5670.0000 -52.25287 -51.08889 1.16398 1.78534 -50.88253 480.35220
5675.0000 -51.92356 -50.92814 0.99542 1.78900 -50.85382 445.32682
5680.0000 -52.40140 -50.93696 1.46443 1.78469 -50.88766 463.58508
5685.0000 -52.43331 -51.19242 1.24089 1.79437 -50.81163 477.08663
5690.0000 -51.97311 -51.17988 0.79322 1.73794 -51.25471 422.69718
5695.0000 -52.29288 -51.02040 1.27249 1.77792 -50.94082 461.77643
5700.0000 -51.88960 -50.10211 1.78749 1.88073 -50.13362 535.99873
5705.0000 -52.06302 -50.68133 1.38169 1.84923 -50.38093 538.80695
5710.0000 -52.05377 -50.85795 1.19582 1.80218 -50.75029 487.99055
5715.0000 -51.70063 -50.69464 1.00600 1.81681 -50.63544 501.67755
5720.0000 -52.04076 -50.85692 1.18384 1.81709 -50.63329 513.12088
5725.0000 -52.16284 -50.79724 1.36560 1.80441 -50.73278 505.88421
5730.0000 -52.66408 -51.13532 1.52876 1.77152 -50.99104 453.77067
5735.0000 -52.55262 -51.35379 1.19883 1.76893 -51.01138 459.34861
5740.0000 -52.16648 -50.92853 1.23796 1.75345 -51.13288 399.91300
5745.0000 -51.44514 -50.14956 1.29557 1.82503 -50.57093 498.50812
5750.0000 -52.41558 -50.63946 1.77612 1.80976 -50.69079 488.54178
FREEZING PROCESS: loop number 24 T-loop= 451.00000000000000
main_MD> interactions number 24 at Temperature= 451.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.32937 0.64417 -1.13323
force_rgl> df(natom) -1.85089 0.26986 1.97317
5755.0000 -52.03944 -50.77007 1.26937 1.78489 -50.88606 475.47125
5760.0000 -51.78443 -50.76415 1.02028 1.80382 -50.73747 500.72097
5765.0000 -52.58247 -51.46779 1.11467 1.73565 -51.27268 415.13208
5770.0000 -52.26169 -51.22461 1.03708 1.70049 -51.54875 391.74126
5775.0000 -52.27138 -51.15737 1.11401 1.75663 -51.10793 432.34354
5780.0000 -52.09246 -50.82280 1.26965 1.76592 -51.03503 447.29704
5785.0000 -52.36782 -50.95295 1.41487 1.80903 -50.69652 493.33362
5790.0000 -52.08000 -50.98879 1.09121 1.77273 -50.98151 443.95910
5795.0000 -51.86044 -50.72033 1.14011 1.79348 -50.81865 437.81518
5800.0000 -51.47525 -50.10661 1.36864 1.85242 -50.35586 539.56727
5805.0000 -52.05518 -50.80087 1.25432 1.81232 -50.67069 479.39354
5810.0000 -52.21002 -50.80334 1.40668 1.82537 -50.56826 516.74021
5815.0000 -51.72018 -50.85394 0.86624 1.80743 -50.70907 481.70122
5820.0000 -52.32816 -51.00119 1.32697 1.78450 -50.88916 423.74555
5825.0000 -51.99016 -51.09340 0.89676 1.75288 -51.13743 433.20857
5830.0000 -52.06540 -50.37551 1.68989 1.79741 -50.78779 458.82355
5835.0000 -51.73390 -50.61696 1.11694 1.84335 -50.42707 537.63203
5840.0000 -52.11149 -50.85955 1.25193 1.78002 -50.92433 440.65466
5845.0000 -51.86335 -50.72094 1.14241 1.78151 -50.91261 465.42643
5850.0000 -52.49471 -51.15089 1.34383 1.78597 -50.87760 453.74600
5855.0000 -52.19434 -50.85965 1.33469 1.75823 -51.09539 429.71614
5860.0000 -52.35302 -51.04935 1.30367 1.75919 -51.08785 440.00928
5865.0000 -51.93894 -51.04970 0.88924 1.79726 -50.78898 473.57573
5870.0000 -52.07776 -50.98005 1.09771 1.78308 -50.90029 456.20065
5875.0000 -52.29694 -51.16605 1.13089 1.79286 -50.82351 485.60863
5880.0000 -52.19848 -50.76597 1.43251 1.76676 -51.02845 423.50940
5885.0000 -52.52988 -51.21162 1.31826 1.78191 -50.90948 444.18706
5890.0000 -52.67860 -51.69310 0.98550 1.73364 -51.28846 406.43985
5895.0000 -52.10582 -50.73836 1.36746 1.77296 -50.97971 466.33887
5900.0000 -52.59647 -51.07866 1.51781 1.78488 -50.88618 480.43547
5905.0000 -52.27111 -50.93199 1.33912 1.75622 -51.11118 436.69757
5910.0000 -51.89993 -50.54910 1.35083 1.79198 -50.83040 461.01389
5915.0000 -52.62782 -51.63764 0.99018 1.75303 -51.13625 416.64579
5920.0000 -52.89889 -51.76822 1.13066 1.70369 -51.52357 372.55301
5925.0000 -52.45026 -51.05790 1.39237 1.72432 -51.36165 390.12560
5930.0000 -52.20928 -50.96782 1.24146 1.76498 -51.04242 446.88591
5935.0000 -51.96682 -50.87820 1.08861 1.79931 -50.77287 468.97508
5940.0000 -52.33296 -51.48535 0.84761 1.73222 -51.29964 386.17707
5945.0000 -51.77534 -50.82469 0.95065 1.78563 -50.88027 486.92393
5950.0000 -52.40736 -51.31851 1.08884 1.78535 -50.88244 468.92687
5955.0000 -52.61188 -51.31512 1.29676 1.73689 -51.26295 418.73052
5960.0000 -52.54081 -51.58124 0.95956 1.72503 -51.35606 403.72042
5965.0000 -52.21317 -51.20059 1.01257 1.73102 -51.30906 408.69032
5970.0000 -52.50199 -51.42179 1.08020 1.74086 -51.23181 402.07353
5975.0000 -52.23639 -51.18801 1.04837 1.74433 -51.20452 413.08514
5980.0000 -52.45591 -51.19401 1.26190 1.73069 -51.31159 391.88923
5985.0000 -52.46151 -51.03160 1.42991 1.77638 -50.95289 425.61467
5990.0000 -52.48012 -51.41216 1.06796 1.74782 -51.17710 420.27657
5995.0000 -52.42028 -51.09104 1.32924 1.76331 -51.05554 429.18744
6000.0000 -52.60159 -51.37460 1.22699 1.72440 -51.36101 397.51909
FREEZING PROCESS: loop number 25 T-loop= 426.00000000000000
main_MD> interactions number 25 at Temperature= 426.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34780 -1.05975 0.79598
force_rgl> df(natom) -0.82323 -1.51815 -0.60792
6005.0000 -52.44974 -51.69848 0.75126 1.69531 -51.58941 355.63355
6010.0000 -52.41905 -51.42700 0.99205 1.71826 -51.40922 357.04657
6015.0000 -52.68858 -51.91019 0.77839 1.69686 -51.57721 352.74798
6020.0000 -52.36811 -51.16619 1.20191 1.70562 -51.50843 377.08870
6025.0000 -52.31030 -51.01464 1.29566 1.76930 -51.00851 437.32344
6030.0000 -51.64529 -50.54198 1.10332 1.78253 -50.90461 426.93850
6035.0000 -52.17309 -51.09234 1.08075 1.78341 -50.89772 435.98579
6040.0000 -52.04444 -50.66780 1.37664 1.79304 -50.82205 452.86856
6045.0000 -52.48601 -51.11049 1.37552 1.78872 -50.85598 451.88853
6050.0000 -52.31369 -51.02333 1.29036 1.75180 -51.14586 419.38918
6055.0000 -51.72950 -50.88615 0.84336 1.76222 -51.06404 411.66909
6060.0000 -52.21409 -50.78410 1.42999 1.78350 -50.89701 447.11436
6065.0000 -52.46973 -50.99843 1.47130 1.78708 -50.86886 481.70932
6070.0000 -52.32878 -51.08035 1.24843 1.76845 -51.01514 445.93676
6075.0000 -52.04905 -50.88190 1.16715 1.80396 -50.73638 483.06885
6080.0000 -52.45873 -51.18683 1.27191 1.74290 -51.21572 421.72125
6085.0000 -52.40967 -51.25559 1.15407 1.73290 -51.29429 382.21328
6090.0000 -52.31312 -51.39745 0.91567 1.72072 -51.38993 352.41314
6095.0000 -52.17795 -50.80150 1.37645 1.76794 -51.01915 432.29208
6100.0000 -51.82268 -50.79215 1.03053 1.81096 -50.68137 512.05915
6105.0000 -52.24187 -50.94941 1.29246 1.75461 -51.12378 434.43157
6110.0000 -52.30393 -51.23842 1.06551 1.74998 -51.16019 410.61457
6115.0000 -52.28468 -51.05824 1.22644 1.76100 -51.07367 433.53198
6120.0000 -52.01402 -50.97671 1.03731 1.77900 -50.93229 464.35142
6125.0000 -52.35524 -50.73518 1.62006 1.77005 -51.00256 455.50520
6130.0000 -52.49609 -51.45469 1.04140 1.75571 -51.11521 438.63146
6135.0000 -52.39463 -51.22562 1.16901 1.72739 -51.33756 389.63959
6140.0000 -52.18775 -50.80810 1.37966 1.76774 -51.02069 410.97506
6145.0000 -51.90176 -50.58481 1.31695 1.82396 -50.57928 480.31977
6150.0000 -51.74584 -50.77546 0.97038 1.82258 -50.59017 461.30176
6155.0000 -52.25899 -51.01619 1.24280 1.79939 -50.77226 462.32202
6160.0000 -52.76369 -51.65987 1.10382 1.71753 -51.41493 388.96599
6165.0000 -52.61239 -51.76314 0.84925 1.68669 -51.65707 335.55133
6170.0000 -51.94791 -50.95194 0.99597 1.72939 -51.32182 384.24282
6175.0000 -52.57231 -51.55082 1.02149 1.75935 -51.08660 426.14504
6180.0000 -52.49081 -51.36518 1.12563 1.72163 -51.38274 378.15426
6185.0000 -52.49224 -51.07410 1.41815 1.75145 -51.14863 417.39745
6190.0000 -51.98944 -50.54131 1.44813 1.78134 -50.91396 455.05940
6195.0000 -52.38289 -50.96819 1.41470 1.78687 -50.87051 465.66331
6200.0000 -52.24255 -50.94296 1.29960 1.77041 -50.99977 454.86252
6205.0000 -52.49281 -51.22205 1.27077 1.75423 -51.12676 427.25949
6210.0000 -51.93375 -50.59015 1.34360 1.73614 -51.26885 415.21087
6215.0000 -52.22286 -50.61101 1.61185 1.83066 -50.52669 513.26955
6220.0000 -52.00005 -50.69148 1.30857 1.80836 -50.70184 510.94027
6225.0000 -52.70586 -51.54837 1.15749 1.75530 -51.11838 432.32462
6230.0000 -52.61857 -51.42024 1.19833 1.72829 -51.33048 401.17283
6235.0000 -52.62630 -51.43304 1.19325 1.73033 -51.31442 415.11628
6240.0000 -52.44086 -51.17138 1.26948 1.75650 -51.10895 438.87705
6245.0000 -52.41966 -51.12878 1.29088 1.72432 -51.36166 389.41138
6250.0000 -52.45762 -50.85400 1.60362 1.80636 -50.71754 466.28120
FREEZING PROCESS: loop number 26 T-loop= 401.00000000000000
main_MD> interactions number 26 at Temperature= 401.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84301 1.51934 -0.39655
force_rgl> df(natom) 0.23799 1.85364 1.38118
6255.0000 -52.40597 -50.91898 1.48700 1.77833 -50.93754 423.98826
6260.0000 -52.27742 -51.41959 0.85783 1.73115 -51.30798 377.46327
6265.0000 -52.65521 -51.38833 1.26688 1.71929 -51.40112 362.16956
6270.0000 -52.83364 -51.66055 1.17309 1.71333 -51.44795 387.06832
6275.0000 -52.30916 -51.42253 0.88663 1.71310 -51.44974 375.81722
6280.0000 -52.49808 -51.82523 0.67285 1.71406 -51.44219 385.92773
6285.0000 -52.49726 -51.36727 1.12999 1.70771 -51.49203 370.87845
6290.0000 -52.69008 -51.65728 1.03280 1.68693 -51.65517 332.38959
6295.0000 -52.70054 -51.30525 1.39529 1.71191 -51.45909 390.29262
6300.0000 -52.90598 -51.53119 1.37479 1.74546 -51.19564 412.90209
6305.0000 -52.55896 -51.36033 1.19862 1.69705 -51.57572 356.39350
6310.0000 -52.36200 -51.16800 1.19400 1.74790 -51.17647 434.15830
6315.0000 -52.71024 -51.50406 1.20618 1.72313 -51.37101 403.00768
6320.0000 -52.82460 -51.77459 1.05001 1.68646 -51.65889 360.75233
6325.0000 -52.63097 -51.48550 1.14547 1.69725 -51.57414 370.62839
6330.0000 -52.40528 -51.13566 1.26963 1.74361 -51.21015 411.17126
6335.0000 -52.80941 -51.60102 1.20839 1.71595 -51.42736 398.42245
6340.0000 -52.40309 -51.35916 1.04393 1.71500 -51.43482 387.92999
6345.0000 -52.57048 -51.56057 1.00991 1.69756 -51.57174 356.91027
6350.0000 -52.27800 -51.38506 0.89293 1.69725 -51.57417 354.98234
6355.0000 -52.52535 -51.38106 1.14429 1.73585 -51.27109 401.33906
6360.0000 -52.45815 -51.34512 1.11302 1.72702 -51.34043 408.58015
6365.0000 -52.46881 -51.54342 0.92539 1.71615 -51.42575 382.46091
6370.0000 -52.47902 -51.46187 1.01715 1.70483 -51.51465 367.48863
6375.0000 -52.42067 -51.43258 0.98809 1.75244 -51.14082 427.66777
6380.0000 -52.53556 -51.54129 0.99427 1.71120 -51.46467 369.78296
6385.0000 -52.49894 -51.52034 0.97860 1.74009 -51.23781 398.45372
6390.0000 -52.75412 -51.60020 1.15392 1.74507 -51.19872 421.92817
6395.0000 -52.84669 -51.45570 1.39098 1.70701 -51.49751 395.21436
6400.0000 -52.21840 -51.13613 1.08227 1.73340 -51.29034 393.32767
6405.0000 -52.12265 -50.96203 1.16062 1.74466 -51.20196 432.95994
6410.0000 -52.66486 -51.33080 1.33406 1.76851 -51.01466 437.34187
6415.0000 -52.37140 -51.26121 1.11019 1.74777 -51.17750 433.13162
6420.0000 -52.42412 -51.16645 1.25767 1.74696 -51.18388 427.95941
6425.0000 -52.40767 -51.06268 1.34499 1.76021 -51.07981 450.27543
6430.0000 -52.13588 -50.56322 1.57267 1.81899 -50.61831 509.81511
6435.0000 -51.97246 -50.85556 1.11690 1.82033 -50.60783 502.76749
6440.0000 -52.59739 -51.24298 1.35442 1.77426 -50.96950 458.41242
6445.0000 -52.40605 -51.48126 0.92479 1.70436 -51.51837 369.36793
6450.0000 -52.66034 -51.19574 1.46460 1.71840 -51.40814 404.14098
6455.0000 -52.55296 -51.20924 1.34372 1.76821 -51.01707 433.85884
6460.0000 -52.30845 -51.28315 1.02530 1.74371 -51.20935 434.15899
6465.0000 -52.61106 -51.30687 1.30419 1.74088 -51.23159 425.59988
6470.0000 -52.57744 -51.55325 1.02420 1.71402 -51.44253 379.34216
6475.0000 -52.77680 -51.62917 1.14764 1.72034 -51.39290 383.63907
6480.0000 -52.65283 -51.41522 1.23761 1.72564 -51.35124 390.79385
6485.0000 -52.23617 -51.28244 0.95373 1.71264 -51.45336 377.75688
6490.0000 -52.70117 -51.52262 1.17855 1.72651 -51.34446 414.39008
6495.0000 -52.01013 -50.83185 1.17828 1.76691 -51.02722 433.81533
6500.0000 -52.40120 -51.33755 1.06365 1.71277 -51.45235 397.52455
FREEZING PROCESS: loop number 27 T-loop= 376.00000000000000
main_MD> interactions number 27 at Temperature= 376.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41145 0.05388 -0.29341
force_rgl> df(natom) -2.44296 -0.70164 -0.67176
6505.0000 -52.76159 -51.57065 1.19094 1.71650 -51.42305 396.81562
6510.0000 -52.19743 -51.12397 1.07346 1.75031 -51.15754 422.38584
6515.0000 -52.83190 -51.88859 0.94331 1.68494 -51.67083 337.83970
6520.0000 -52.65107 -51.84889 0.80217 1.67439 -51.75364 325.84675
6525.0000 -52.10595 -51.16423 0.94171 1.71675 -51.42106 379.72015
6530.0000 -52.13654 -50.84297 1.29358 1.78078 -50.91837 465.74421
6535.0000 -52.57520 -51.73196 0.84324 1.74318 -51.21358 432.82872
6540.0000 -52.66518 -51.68259 0.98259 1.70336 -51.52621 374.34747
6545.0000 -52.55391 -51.63493 0.91898 1.69190 -51.61616 349.08737
6550.0000 -52.61690 -51.81209 0.80480 1.72476 -51.35820 402.72779
6555.0000 -52.47863 -51.55139 0.92724 1.68227 -51.69182 338.37888
6560.0000 -52.32621 -51.33745 0.98876 1.69884 -51.56170 360.87950
6565.0000 -52.59330 -51.53198 1.06132 1.70267 -51.53158 358.79844
6570.0000 -52.59266 -51.54907 1.04360 1.69705 -51.57571 355.03789
6575.0000 -52.66168 -51.49771 1.16398 1.70463 -51.51623 366.00066
6580.0000 -52.71858 -51.72967 0.98891 1.68039 -51.70655 344.06740
6585.0000 -52.45421 -51.29865 1.15555 1.71089 -51.46707 372.43146
6590.0000 -52.45083 -51.54535 0.90548 1.74231 -51.22037 389.98600
6595.0000 -52.46162 -51.35574 1.10588 1.73486 -51.27885 401.64368
6600.0000 -52.82694 -51.73490 1.09204 1.68018 -51.70821 343.67085
6605.0000 -52.65614 -51.92989 0.72625 1.68400 -51.67820 346.08068
6610.0000 -52.58932 -51.50070 1.08863 1.68449 -51.67433 359.82298
6615.0000 -52.93738 -52.02939 0.90798 1.67991 -51.71028 350.52778
6620.0000 -52.36720 -50.91099 1.45622 1.70203 -51.53665 363.10950
6625.0000 -52.85996 -51.72043 1.13953 1.70634 -51.50282 373.73515
6630.0000 -52.81936 -51.87279 0.94658 1.68640 -51.65933 351.41312
6635.0000 -52.54469 -51.62166 0.92303 1.68671 -51.65694 343.26030
6640.0000 -52.30216 -51.33028 0.97188 1.69300 -51.60751 359.13697
6645.0000 -52.23556 -51.29603 0.93953 1.72937 -51.32195 388.66778
6650.0000 -52.41426 -51.16821 1.24605 1.74086 -51.23180 413.57074
6655.0000 -52.72677 -51.20109 1.52568 1.71482 -51.43624 386.25911
6660.0000 -52.66871 -51.69548 0.97323 1.71869 -51.40587 391.18155
6665.0000 -52.61867 -52.02205 0.59662 1.67784 -51.72655 329.34035
6670.0000 -52.56257 -51.63003 0.93254 1.66662 -51.81467 320.81285
6675.0000 -52.78961 -51.67973 1.10988 1.71304 -51.45023 384.38075
6680.0000 -52.64084 -51.19049 1.45036 1.70358 -51.52451 359.32858
6685.0000 -52.50618 -51.22178 1.28440 1.75235 -51.14157 405.98126
6690.0000 -52.45379 -51.32110 1.13269 1.70599 -51.50553 371.89686
6695.0000 -52.45965 -51.32707 1.13258 1.70507 -51.51279 377.98631
6700.0000 -52.88244 -51.67729 1.20515 1.69758 -51.57159 369.39380
6705.0000 -52.63519 -51.84809 0.78711 1.66460 -51.83050 313.22587
6710.0000 -52.52375 -51.30102 1.22272 1.71155 -51.46189 409.82151
6715.0000 -52.87640 -51.94035 0.93606 1.72324 -51.37011 393.05832
6720.0000 -52.65130 -51.67246 0.97884 1.69477 -51.59363 358.50450
6725.0000 -52.26730 -51.48885 0.77844 1.70187 -51.53789 368.38299
6730.0000 -52.31083 -51.33815 0.97268 1.71530 -51.43248 391.03166
6735.0000 -52.65451 -51.62721 1.02731 1.69434 -51.59702 356.02116
6740.0000 -52.97463 -51.96253 1.01210 1.68023 -51.70783 335.65326
6745.0000 -52.57075 -51.68715 0.88360 1.65415 -51.91258 315.38797
6750.0000 -52.81762 -52.00485 0.81277 1.65497 -51.90614 315.11839
FREEZING PROCESS: loop number 28 T-loop= 351.00000000000000
main_MD> interactions number 28 at Temperature= 351.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46732 -2.50471 2.38584
force_rgl> df(natom) 0.33919 -0.80214 -0.14184
6755.0000 -52.58026 -51.53681 1.04345 1.65752 -51.88613 302.90295
6760.0000 -52.28052 -51.03804 1.24249 1.72129 -51.38542 405.87164
6765.0000 -52.49998 -51.69842 0.80157 1.72565 -51.35116 408.53628
6770.0000 -52.74900 -51.97536 0.77364 1.66059 -51.86199 311.31286
6775.0000 -52.62721 -51.46258 1.16463 1.69488 -51.59279 354.90904
6780.0000 -52.56685 -51.37729 1.18956 1.70409 -51.52048 377.56060
6785.0000 -52.51868 -51.83826 0.68042 1.67866 -51.72011 341.53757
6790.0000 -52.66907 -51.67966 0.98941 1.67814 -51.72419 334.58112
6795.0000 -52.53366 -51.55239 0.98127 1.69976 -51.55449 371.56124
6800.0000 -52.60089 -51.70933 0.89156 1.68994 -51.63157 348.32429
6805.0000 -52.28537 -51.23918 1.04618 1.72428 -51.36195 395.71502
6810.0000 -52.72756 -51.82332 0.90424 1.68353 -51.68186 344.75696
6815.0000 -52.74336 -51.89632 0.84704 1.68586 -51.66362 346.60051
6820.0000 -52.80455 -51.77392 1.03062 1.68011 -51.70878 342.02768
6825.0000 -52.46680 -51.42606 1.04074 1.68993 -51.63161 362.17573
6830.0000 -52.64140 -51.60803 1.03337 1.71653 -51.42276 375.05412
6835.0000 -52.45937 -51.52166 0.93771 1.69932 -51.55794 351.37905
6840.0000 -53.06460 -52.07401 0.99059 1.66809 -51.80310 331.87127
6845.0000 -52.83028 -51.75858 1.07170 1.65938 -51.87152 311.56505
6850.0000 -52.55978 -51.39603 1.16376 1.71212 -51.45745 371.43289
6855.0000 -52.69935 -51.54780 1.15155 1.73660 -51.26525 411.63873
6860.0000 -52.80781 -51.84485 0.96297 1.67683 -51.73452 346.66651
6865.0000 -52.84419 -52.13480 0.70939 1.68697 -51.65488 349.32693
6870.0000 -52.96012 -52.18500 0.77512 1.63035 -52.09946 275.02821
6875.0000 -52.54947 -51.52497 1.02449 1.66648 -51.81576 308.72052
6880.0000 -52.70750 -51.43478 1.27272 1.70521 -51.51165 377.04463
6885.0000 -52.47891 -51.62059 0.85832 1.67728 -51.73098 316.65532
6890.0000 -52.87322 -52.07325 0.79997 1.67165 -51.77516 326.44805
6895.0000 -52.73873 -51.89717 0.84156 1.63444 -52.06734 278.42238
6900.0000 -52.69906 -51.86976 0.82930 1.67499 -51.74897 330.48188
6905.0000 -52.68437 -51.90998 0.77438 1.66728 -51.80948 322.26655
6910.0000 -52.68424 -51.64234 1.04190 1.68770 -51.64914 345.60510
6915.0000 -52.72121 -51.71245 1.00876 1.67580 -51.74256 331.44262
6920.0000 -52.87355 -51.73723 1.13632 1.67708 -51.73251 355.99139
6925.0000 -52.90734 -51.88776 1.01958 1.65332 -51.91909 303.40198
6930.0000 -52.55668 -51.66181 0.89487 1.66746 -51.80804 322.18464
6935.0000 -52.87867 -52.05760 0.82108 1.66078 -51.86049 307.35220
6940.0000 -52.86881 -52.01097 0.85784 1.65756 -51.88577 323.93035
6945.0000 -52.64191 -52.05111 0.59080 1.63846 -52.03573 277.15560
6950.0000 -52.60444 -51.29819 1.30625 1.69349 -51.60373 388.04569
6955.0000 -52.50533 -51.37275 1.13258 1.69122 -51.62149 361.61126
6960.0000 -52.62399 -51.80559 0.81839 1.67997 -51.70982 339.50965
6965.0000 -52.41557 -51.65702 0.75854 1.70076 -51.54664 370.51937
6970.0000 -52.79433 -51.91049 0.88384 1.68209 -51.69320 340.97927
6975.0000 -52.31277 -51.01193 1.30084 1.71598 -51.42711 371.37073
6980.0000 -52.64342 -51.71928 0.92413 1.74828 -51.17347 430.88389
6985.0000 -52.69007 -51.69527 0.99480 1.69173 -51.61748 350.27756
6990.0000 -52.80857 -51.83119 0.97738 1.68899 -51.63900 353.51906
6995.0000 -52.75285 -51.82644 0.92642 1.66767 -51.80644 328.32502
7000.0000 -52.68648 -51.84106 0.84542 1.66825 -51.80189 316.41333
FREEZING PROCESS: loop number 29 T-loop= 326.00000000000000
main_MD> interactions number 29 at Temperature= 326.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33870 1.31454 2.56055
force_rgl> df(natom) -1.12743 0.14923 0.07940
7005.0000 -52.66108 -51.52599 1.13508 1.69026 -51.62902 354.15768
7010.0000 -52.66453 -51.88362 0.78091 1.68245 -51.69033 357.30510
7015.0000 -52.78292 -51.73530 1.04762 1.67782 -51.72673 334.54461
7020.0000 -52.68218 -51.72442 0.95776 1.67902 -51.71733 340.24575
7025.0000 -52.29123 -51.37176 0.91946 1.71330 -51.44812 368.56739
7030.0000 -52.61106 -51.40426 1.20680 1.72972 -51.31921 394.39870
7035.0000 -52.52216 -51.73177 0.79039 1.71132 -51.46369 361.58999
7040.0000 -52.65593 -51.65280 1.00313 1.67660 -51.73633 330.02609
7045.0000 -52.69277 -51.56513 1.12765 1.67049 -51.78431 322.47833
7050.0000 -52.55125 -51.60869 0.94256 1.68979 -51.63274 350.77476
7055.0000 -52.95138 -51.70440 1.24698 1.67952 -51.71339 332.56523
7060.0000 -52.69198 -51.61711 1.07487 1.68340 -51.68289 347.04484
7065.0000 -52.38855 -51.90302 0.48554 1.70184 -51.53815 333.08433
7070.0000 -52.71896 -51.96797 0.75099 1.64180 -52.00957 271.25629
7075.0000 -52.76499 -51.85855 0.90644 1.64814 -51.95975 298.43454
7080.0000 -52.66254 -52.04720 0.61534 1.64848 -51.95705 293.08519
7085.0000 -52.46642 -51.75439 0.71203 1.65547 -51.90218 302.34295
7090.0000 -52.88413 -51.92506 0.95907 1.66150 -51.85486 312.19858
7095.0000 -52.65525 -52.05249 0.60276 1.64194 -52.00843 292.13957
7100.0000 -52.85615 -52.12771 0.72844 1.63697 -52.04747 275.67132
7105.0000 -52.73714 -52.01937 0.71777 1.63965 -52.02640 279.38394
7110.0000 -52.65637 -51.64928 1.00709 1.66265 -51.84580 307.46546
7115.0000 -52.71749 -51.88996 0.82753 1.66324 -51.84118 310.25673
7120.0000 -52.83385 -51.76430 1.06955 1.65261 -51.92466 302.89137
7125.0000 -52.81279 -51.66515 1.14764 1.69265 -51.61031 361.15874
7130.0000 -52.69203 -51.42126 1.27077 1.70000 -51.55254 360.12997
7135.0000 -53.00390 -51.90751 1.09639 1.66771 -51.80609 320.13178
7140.0000 -53.07070 -52.35045 0.72025 1.64815 -51.95971 303.58346
7145.0000 -52.73146 -51.78405 0.94741 1.61381 -52.22932 233.28504
7150.0000 -52.73622 -51.71378 1.02244 1.68858 -51.64225 329.63565
7155.0000 -52.56621 -51.74188 0.82434 1.68682 -51.65607 334.81711
7160.0000 -52.92604 -51.89759 1.02845 1.67487 -51.74991 334.08569
7165.0000 -52.88609 -52.11501 0.77108 1.66091 -51.85950 306.70818
7170.0000 -52.81262 -52.04833 0.76429 1.66721 -51.81004 330.39486
7175.0000 -52.86559 -51.89228 0.97331 1.64289 -52.00094 305.91110
7180.0000 -52.77839 -52.08643 0.69196 1.67074 -51.78234 333.57258
7185.0000 -52.79545 -52.07791 0.71754 1.62360 -52.15242 268.59145
7190.0000 -52.72360 -52.10905 0.61454 1.62274 -52.15916 262.16979
7195.0000 -52.60753 -51.59922 1.00831 1.65358 -51.91702 302.52771
7200.0000 -52.70544 -51.79491 0.91052 1.68505 -51.66993 344.86164
7205.0000 -52.75082 -51.48625 1.26457 1.70056 -51.54815 354.81198
7210.0000 -52.87556 -51.81125 1.06432 1.68129 -51.69950 354.33874
7215.0000 -52.65281 -51.87755 0.77526 1.65275 -51.92356 312.32104
7220.0000 -52.85825 -52.04236 0.81589 1.64970 -51.94750 293.94059
7225.0000 -52.70809 -51.67307 1.03501 1.65705 -51.88978 297.89870
7230.0000 -52.58918 -51.65760 0.93158 1.69848 -51.56453 388.48371
7235.0000 -52.74792 -51.62030 1.12761 1.71013 -51.47302 392.65872
7240.0000 -52.61792 -51.64499 0.97293 1.66802 -51.80364 326.44229
7245.0000 -52.67842 -51.90435 0.77406 1.66684 -51.81294 313.37869
7250.0000 -52.78900 -51.29784 1.49117 1.70259 -51.53224 369.24466
FREEZING PROCESS: loop number 30 T-loop= 301.00000000000000
main_MD> interactions number 30 at Temperature= 301.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70205 -1.25487 0.29717
force_rgl> df(natom) -0.23126 -1.41018 -0.66966
7255.0000 -52.55621 -51.71529 0.84092 1.69656 -51.57959 356.87564
7260.0000 -52.69065 -51.91727 0.77337 1.66164 -51.85378 305.14126
7265.0000 -52.74347 -51.68431 1.05916 1.67868 -51.71995 328.97285
7270.0000 -52.59369 -52.02693 0.56676 1.67379 -51.75838 326.24428
7275.0000 -52.92297 -52.31823 0.60474 1.62517 -52.14008 265.65067
7280.0000 -52.98619 -52.18487 0.80132 1.61816 -52.19513 255.35690
7285.0000 -52.85851 -51.85407 1.00443 1.62538 -52.13843 272.77586
7290.0000 -52.72124 -51.82155 0.89970 1.66028 -51.86446 312.93190
7295.0000 -52.95937 -52.19738 0.76199 1.63673 -52.04934 289.31981
7300.0000 -52.95243 -51.95671 0.99573 1.62396 -52.14957 256.90416
7305.0000 -52.74938 -51.99057 0.75881 1.63523 -52.06110 277.53747
7310.0000 -52.86222 -52.17592 0.68630 1.63345 -52.07513 280.68925
7315.0000 -52.71718 -52.03446 0.68272 1.62660 -52.12885 259.66784
7320.0000 -52.72962 -51.70886 1.02076 1.62928 -52.10780 263.38594
7325.0000 -52.78709 -52.10978 0.67731 1.65817 -51.88100 304.10936
7330.0000 -52.52368 -51.67250 0.85117 1.64537 -51.98150 299.80091
7335.0000 -52.77985 -51.97820 0.80165 1.66140 -51.85564 314.10554
7340.0000 -53.01277 -52.06278 0.94999 1.63891 -52.03225 287.69719
7345.0000 -52.67686 -51.83990 0.83696 1.64492 -51.98504 271.65996
7350.0000 -52.49550 -51.82265 0.67285 1.71259 -51.45373 381.84271
7355.0000 -52.99383 -51.92697 1.06687 1.65969 -51.86911 325.47364
7360.0000 -52.61485 -51.67629 0.93856 1.66885 -51.79712 317.10711
7365.0000 -52.87980 -51.71370 1.16610 1.69072 -51.62544 351.69325
7370.0000 -52.94756 -52.14934 0.79822 1.65180 -51.93102 300.19838
7375.0000 -52.82855 -52.18885 0.63970 1.63620 -52.05350 283.43296
7380.0000 -52.79786 -51.94724 0.85062 1.63104 -52.09400 268.88952
7385.0000 -52.57738 -51.68678 0.89060 1.63399 -52.07082 288.19308
7390.0000 -52.70947 -51.91099 0.79848 1.65469 -51.90835 311.70123
7395.0000 -52.89764 -51.97306 0.92458 1.65674 -51.89223 314.04966
7400.0000 -52.91765 -52.10138 0.81627 1.65747 -51.88649 312.94709
7405.0000 -52.64924 -51.98974 0.65950 1.65577 -51.89982 312.24516
7410.0000 -52.69085 -51.68503 1.00582 1.66430 -51.83291 301.37905
7415.0000 -52.88498 -52.02653 0.85845 1.66710 -51.81085 324.04301
7420.0000 -52.82388 -52.10134 0.72254 1.62988 -52.10310 275.67974
7425.0000 -52.74038 -51.98115 0.75923 1.62942 -52.10673 276.86392
7430.0000 -52.81204 -52.08287 0.72917 1.63212 -52.08555 272.22665
7435.0000 -53.14010 -52.08040 1.05969 1.62322 -52.15544 266.07869
7440.0000 -52.95540 -52.02484 0.93056 1.64096 -52.01613 294.42594
7445.0000 -52.66561 -51.82586 0.83975 1.65549 -51.90206 296.60810
7450.0000 -52.70998 -51.89491 0.81507 1.66053 -51.86244 309.58011
7455.0000 -52.54276 -51.84602 0.69673 1.67721 -51.73153 333.75812
7460.0000 -52.94741 -52.25704 0.69038 1.63701 -52.04710 278.33846
7465.0000 -52.95356 -52.15153 0.80203 1.62049 -52.17687 260.72031
7470.0000 -53.09893 -52.21886 0.88008 1.62811 -52.11703 272.32062
7475.0000 -52.76866 -51.72555 1.04311 1.65655 -51.89370 310.01282
7480.0000 -52.76364 -51.75055 1.01309 1.65591 -51.89877 305.81025
7485.0000 -52.70920 -51.82271 0.88649 1.67573 -51.74316 334.24926
7490.0000 -52.59717 -51.72546 0.87171 1.67355 -51.76025 322.95377
7495.0000 -52.61976 -51.68348 0.93628 1.67334 -51.76188 324.04074
7500.0000 -52.70108 -51.81353 0.88754 1.67673 -51.73527 332.19326
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 24.0205932 [s].
main_MD> Deallocating global variables
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