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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_86/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_86.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 = 86 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 86 8600
main_MD> Size of nv and nvoiz: 86 8600
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 = 86
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.14074696813773144 5.8984357818776006E-002 -7.7168586876148693E-002 initial drift of cluster / NP1 for coalescence
init> 0.33031152664143892 0.34029933432017073 0.29171746112298030 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5995297630163369E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25692 0.21515 1.96039
force_rgl> df(natom) 0.35865 1.95218 -3.50517
preparo> THERMALIZATION PROCESS AT 1124.2833198046389
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -193.87974115646540 11.217238906081652 -205.09698006254706 6.4994315986363703E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 32
FREEZING PROCESS: loop number 1 T-loop= 1099.0000000000000
main_MD> interactions number 1 at Temperature= 1099.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.80752 -1.11474 0.24332
force_rgl> df(natom) 2.62245 4.14261 3.45626
5.0000 -205.27953 -193.72765 11.55188 3.09918 -193.31738 1109.42407
10.0000 -205.62864 -194.84099 10.78766 3.15342 -192.26059 1137.11928
15.0000 -208.17926 -195.87582 12.30344 3.07950 -193.70068 1064.90267
20.0000 -207.75404 -196.42535 11.32869 2.95943 -196.04006 984.05689
25.0000 -207.65341 -195.86547 11.78794 2.97873 -195.66406 1048.21985
30.0000 -204.37940 -192.54402 11.83538 3.08196 -193.65284 1111.42745
35.0000 -204.17401 -192.50953 11.66448 3.13924 -192.53682 1114.18216
40.0000 -204.02709 -192.86653 11.16056 3.16519 -192.03131 1155.61428
45.0000 -203.49471 -191.74606 11.74865 3.10106 -193.28059 1099.54723
50.0000 -202.59969 -190.24135 12.35834 3.23516 -190.66792 1173.16299
55.0000 -205.54837 -192.55479 12.99357 3.22685 -190.82991 1195.76464
60.0000 -204.85915 -192.45644 12.40271 3.15568 -192.21651 1129.70189
65.0000 -204.94856 -193.50868 11.43987 3.08826 -193.53007 1106.12327
70.0000 -207.48812 -194.19756 13.29056 3.05890 -194.10211 1070.96037
75.0000 -205.76781 -192.92790 12.83992 3.03281 -194.61048 1087.79605
80.0000 -205.80779 -193.87093 11.93686 3.11188 -193.06993 1095.49462
85.0000 -205.06909 -191.84546 13.22363 3.10849 -193.13587 1129.08849
90.0000 -202.90903 -192.48229 10.42674 3.14103 -192.50185 1134.64686
95.0000 -204.61914 -192.21634 12.40280 3.14214 -192.48027 1123.46609
100.0000 -203.53195 -191.21985 12.31210 3.16693 -191.99734 1163.46847
105.0000 -204.01433 -191.44618 12.56815 3.22244 -190.91586 1189.39407
110.0000 -207.81419 -194.37184 13.44235 3.11408 -193.02708 1143.10957
115.0000 -206.74369 -192.67804 14.06565 3.11929 -192.92541 1146.12368
120.0000 -204.01928 -190.91755 13.10173 3.15988 -192.13473 1133.24363
125.0000 -206.93826 -192.80818 14.13008 3.19299 -191.48963 1172.37657
130.0000 -205.56905 -191.84343 13.72562 3.17690 -191.80313 1165.91907
135.0000 -205.56549 -191.91100 13.65449 3.18768 -191.59303 1167.17066
140.0000 -205.53108 -193.03449 12.49658 3.16176 -192.09797 1148.58123
145.0000 -203.33488 -191.66270 11.67218 3.15801 -192.17106 1137.56350
150.0000 -207.24689 -194.56584 12.68106 3.12362 -192.84113 1133.27179
155.0000 -205.88265 -194.13563 11.74702 2.97138 -195.80728 1031.16698
160.0000 -206.40264 -194.81881 11.58383 3.07882 -193.71397 1107.99428
165.0000 -205.37845 -192.06167 13.31678 3.02759 -194.71209 1046.94998
170.0000 -205.63710 -192.55489 13.08222 3.17598 -191.82097 1162.03827
175.0000 -205.99020 -195.16093 10.82926 3.11098 -193.08743 1127.37377
180.0000 -206.48705 -194.77033 11.71672 3.05193 -194.23798 1075.78150
185.0000 -207.13640 -195.45858 11.67782 3.04713 -194.33135 1074.00220
190.0000 -203.89341 -191.53698 12.35644 3.09722 -193.35553 1114.79224
195.0000 -205.78056 -194.27858 11.50198 3.10447 -193.21431 1110.15332
200.0000 -206.83481 -193.61455 13.22026 3.09671 -193.36539 1094.12840
205.0000 -205.57767 -190.89579 14.68188 3.18161 -191.71129 1162.97826
210.0000 -205.84104 -193.08626 12.75477 3.14763 -192.37339 1129.16256
215.0000 -206.43568 -195.55727 10.87841 3.12293 -192.85448 1110.04701
220.0000 -206.80328 -193.79531 13.00797 3.00980 -195.05871 1055.86223
225.0000 -207.59795 -195.67773 11.92023 3.07676 -193.75422 1087.95782
230.0000 -205.97752 -193.62516 12.35237 3.04169 -194.43735 1035.47067
235.0000 -205.59247 -192.63844 12.95403 3.10222 -193.25814 1102.70787
240.0000 -205.34280 -193.32495 12.01785 3.11452 -193.01852 1102.16959
245.0000 -206.64608 -192.94709 13.69899 3.11614 -192.98681 1107.78463
250.0000 -206.18485 -194.41571 11.76914 3.06845 -193.91608 1085.71448
FREEZING PROCESS: loop number 2 T-loop= 1074.0000000000000
main_MD> interactions number 2 at Temperature= 1074.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32637 -1.45323 1.99533
force_rgl> df(natom) 3.51039 -3.08958 -2.67266
255.0000 -206.29063 -194.33639 11.95425 3.08447 -193.60384 1116.68324
260.0000 -205.21518 -193.42930 11.78588 3.08264 -193.63949 1084.79699
265.0000 -206.04945 -193.32877 12.72067 3.05941 -194.09209 1109.39501
270.0000 -206.03889 -194.91453 11.12436 3.03943 -194.48145 1036.67361
275.0000 -205.77496 -192.73552 13.03943 3.07669 -193.75551 1057.87823
280.0000 -204.18098 -190.72570 13.45528 3.19700 -191.41145 1175.35631
285.0000 -206.24979 -193.40534 12.84445 3.16415 -192.05156 1144.81557
290.0000 -206.21575 -193.51900 12.69675 3.05527 -194.17284 1104.04593
295.0000 -205.29617 -194.09688 11.19929 3.07139 -193.85883 1087.18582
300.0000 -206.74926 -194.79456 11.95470 3.02365 -194.78896 1029.50549
305.0000 -207.30384 -194.57656 12.72729 3.10428 -193.21792 1128.79363
310.0000 -207.19487 -193.42731 13.76756 3.04080 -194.45478 1068.36796
315.0000 -206.74852 -195.25721 11.49132 3.01378 -194.98117 1036.43054
320.0000 -207.60708 -195.03156 12.57551 2.98954 -195.45350 1037.77201
325.0000 -207.57868 -196.24076 11.33792 2.96691 -195.89438 1015.38818
330.0000 -209.06185 -198.11241 10.94944 2.85895 -197.99777 954.90315
335.0000 -206.91801 -195.48202 11.43599 2.93888 -196.44056 1012.32897
340.0000 -204.81374 -191.98602 12.82772 3.12136 -192.88523 1115.99958
345.0000 -203.14753 -191.35406 11.79347 3.18455 -191.65408 1135.33283
350.0000 -205.38851 -192.13613 13.25238 3.16894 -191.95813 1149.75514
355.0000 -204.84518 -193.14652 11.69866 3.08081 -193.67529 1098.62187
360.0000 -205.17986 -193.18881 11.99105 3.07988 -193.69342 1081.83203
365.0000 -204.77749 -193.20929 11.56819 3.10717 -193.16168 1103.59777
370.0000 -204.25407 -193.13648 11.11759 3.10002 -193.30091 1087.44219
375.0000 -204.35653 -191.03322 13.32331 3.18733 -191.59982 1172.09406
380.0000 -207.81593 -196.36133 11.45460 3.07242 -193.83867 1066.38324
385.0000 -206.40142 -195.51293 10.88849 2.95092 -196.20585 1018.52866
390.0000 -208.24640 -196.11307 12.13333 2.95935 -196.04159 1022.76781
395.0000 -207.27021 -194.16730 13.10290 3.00970 -195.06063 1062.02956
400.0000 -205.98295 -193.61389 12.36906 3.10309 -193.24106 1118.71267
405.0000 -202.31763 -192.01564 10.30199 3.08681 -193.55833 1064.81834
410.0000 -204.94351 -194.12622 10.81729 3.12589 -192.79685 1103.65277
415.0000 -207.66802 -196.04297 11.62505 3.05061 -194.26369 1066.43697
420.0000 -208.74580 -197.18538 11.56042 2.87101 -197.76282 974.52863
425.0000 -205.78466 -195.93679 9.84787 2.91396 -196.92608 948.41543
430.0000 -207.18180 -195.42204 11.75976 2.91851 -196.83733 993.67473
435.0000 -207.40830 -194.74388 12.66442 2.98569 -195.52848 1019.82983
440.0000 -207.50042 -195.46349 12.03693 2.99799 -195.28884 1061.61473
445.0000 -207.41621 -197.04756 10.36865 2.91074 -196.98874 980.44010
450.0000 -206.85409 -195.52155 11.33254 2.97206 -195.79399 1055.39062
455.0000 -205.67742 -194.13264 11.54478 2.99857 -195.27750 1003.97028
460.0000 -205.51483 -193.31291 12.20191 3.02278 -194.80580 1067.78966
465.0000 -206.51436 -193.36215 13.15221 3.08969 -193.50214 1113.09236
470.0000 -207.04372 -194.27690 12.76682 3.09583 -193.38256 1086.25744
475.0000 -204.78445 -192.08148 12.70297 3.11610 -192.98758 1095.37960
480.0000 -206.99606 -193.82133 13.17473 3.08917 -193.51225 1110.08256
485.0000 -206.09476 -194.21912 11.87565 3.05149 -194.24645 1056.00798
490.0000 -205.18243 -194.36860 10.81383 3.00509 -195.15048 1041.23047
495.0000 -204.46582 -193.08358 11.38225 3.04397 -194.39300 1067.36267
500.0000 -207.13591 -196.53806 10.59785 3.06933 -193.89889 1072.14781
FREEZING PROCESS: loop number 3 T-loop= 1049.0000000000000
main_MD> interactions number 3 at Temperature= 1049.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.51240 1.08970 0.68652
force_rgl> df(natom) 2.17595 -3.19881 -2.13295
505.0000 -206.82820 -194.66212 12.16608 2.96659 -195.90064 1013.03039
510.0000 -207.08103 -194.55182 12.52921 3.07557 -193.77726 1066.84248
515.0000 -203.09070 -191.29298 11.79772 3.11983 -192.91495 1122.71690
520.0000 -203.55387 -192.25987 11.29400 3.13410 -192.63699 1119.54589
525.0000 -206.96669 -194.79479 12.17190 3.07793 -193.73129 1068.31982
530.0000 -207.77570 -195.35006 12.42565 2.98408 -195.55978 1029.62752
535.0000 -207.18383 -195.51382 11.67001 2.94928 -196.23790 1013.63933
540.0000 -205.74394 -195.32178 10.42216 3.01192 -195.01746 1056.58658
545.0000 -205.13455 -193.03474 12.09980 3.07588 -193.77120 1059.54170
550.0000 -206.50182 -193.03786 13.46396 3.17662 -191.80854 1172.82754
555.0000 -206.23180 -194.93762 11.29418 3.05488 -194.18049 1060.97310
560.0000 -203.88693 -191.79024 12.09669 3.10926 -193.12090 1102.24532
565.0000 -207.68642 -194.58944 13.09697 3.09010 -193.49420 1083.64387
570.0000 -206.55803 -195.42214 11.13589 3.02715 -194.72068 1076.21326
575.0000 -205.74734 -194.18595 11.56139 2.99894 -195.27042 1056.83853
580.0000 -207.40174 -195.65500 11.74675 2.98151 -195.60994 1026.77729
585.0000 -208.46613 -196.27913 12.18700 2.94882 -196.24691 1016.29539
590.0000 -204.93510 -193.49128 11.44382 3.03044 -194.65659 1052.51524
595.0000 -207.16886 -195.85008 11.31877 3.01184 -195.01897 1058.97730
600.0000 -207.35260 -196.13067 11.22193 2.97661 -195.70542 1014.53165
605.0000 -206.28770 -195.79820 10.48950 2.90677 -197.06607 984.91118
610.0000 -204.57603 -193.26001 11.31602 3.10040 -193.29347 1102.09392
615.0000 -208.43437 -195.75731 12.67706 2.97738 -195.69030 1029.36874
620.0000 -207.50148 -196.11982 11.38166 2.96437 -195.94387 1049.01557
625.0000 -206.24594 -194.96639 11.27955 3.00281 -195.19489 1037.80640
630.0000 -205.54477 -194.66822 10.87655 2.98325 -195.57605 1033.18000
635.0000 -205.29049 -194.59093 10.69955 2.97396 -195.75703 1027.55475
640.0000 -206.51809 -196.63827 9.87982 2.97138 -195.80734 1013.45978
645.0000 -207.03813 -196.26064 10.77749 2.95852 -196.05780 1003.97095
650.0000 -207.18057 -196.14947 11.03110 2.97513 -195.73430 1041.59874
655.0000 -207.16470 -195.01893 12.14576 3.00987 -195.05742 1036.35080
660.0000 -206.16620 -193.34251 12.82369 3.06024 -194.07600 1073.10960
665.0000 -205.17088 -193.07863 12.09225 3.16213 -192.09075 1156.37751
670.0000 -208.12866 -196.03503 12.09363 2.98524 -195.53720 1030.31252
675.0000 -207.61447 -195.85387 11.76061 2.95853 -196.05770 1030.08484
680.0000 -205.27390 -193.07686 12.19704 3.07353 -193.81701 1091.71968
685.0000 -205.07576 -193.35843 11.71733 3.04154 -194.44024 1060.48847
690.0000 -206.92906 -194.71823 12.21083 3.04542 -194.36466 1050.55257
695.0000 -205.10621 -194.81615 10.29006 3.10309 -193.24109 1106.56775
700.0000 -204.88677 -193.49264 11.39413 3.07909 -193.70869 1112.93351
705.0000 -206.03729 -194.34170 11.69559 3.08841 -193.52718 1082.90158
710.0000 -206.37528 -195.49021 10.88507 2.97992 -195.64084 1014.62385
715.0000 -206.40272 -191.83698 14.56574 3.13397 -192.63955 1111.95229
720.0000 -206.25934 -192.65066 13.60868 3.07618 -193.76544 1078.77161
725.0000 -204.93979 -192.27574 12.66405 3.15909 -192.15015 1131.47670
730.0000 -205.91162 -194.78744 11.12418 3.07694 -193.75067 1087.49139
735.0000 -206.16525 -194.91039 11.25487 3.03621 -194.54424 1061.33887
740.0000 -204.35748 -192.18436 12.17312 3.18461 -191.65279 1150.50766
745.0000 -205.10371 -195.17413 9.92959 3.03874 -194.49498 1062.08986
750.0000 -207.61342 -197.55020 10.06322 3.00468 -195.15850 1033.64540
FREEZING PROCESS: loop number 4 T-loop= 1024.0000000000000
main_MD> interactions number 4 at Temperature= 1024.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.31388 -3.39605 2.98052
force_rgl> df(natom) -3.56122 2.34400 -2.34431
755.0000 -207.38157 -194.41615 12.96542 2.96579 -195.91621 991.31446
760.0000 -205.22603 -193.92142 11.30461 3.09577 -193.38371 1078.15621
765.0000 -208.96943 -197.96174 11.00770 3.00353 -195.18086 1058.28645
770.0000 -207.79274 -194.91816 12.87458 2.89408 -197.31344 966.69845
775.0000 -209.94433 -197.79298 12.15136 3.00863 -195.08161 1053.39049
780.0000 -206.13661 -193.84566 12.29095 3.01644 -194.92936 1004.38288
785.0000 -206.88061 -196.49228 10.38833 2.97282 -195.77930 1020.61115
790.0000 -207.07813 -195.47989 11.59824 2.95972 -196.03445 999.25260
795.0000 -207.61181 -196.20678 11.40504 2.93359 -196.54365 996.22981
800.0000 -210.10394 -198.48799 11.61595 2.92303 -196.74934 1013.20424
805.0000 -208.29834 -197.01935 11.27898 2.87530 -197.67924 968.48114
810.0000 -208.31447 -197.57150 10.74297 2.90610 -197.07926 981.89657
815.0000 -208.68999 -198.08646 10.60354 2.85272 -198.11911 955.58849
820.0000 -208.06777 -196.76048 11.30729 2.89762 -197.24433 955.31468
825.0000 -206.84101 -196.18477 10.65623 2.89556 -197.28462 964.53869
830.0000 -206.43567 -195.52245 10.91322 3.00982 -195.05832 1032.64362
835.0000 -208.09830 -196.76894 11.32936 2.96836 -195.86611 1020.67303
840.0000 -209.78332 -197.71032 12.07300 2.94077 -196.40377 981.78633
845.0000 -208.47654 -197.54014 10.93640 2.87224 -197.73887 963.59569
850.0000 -208.89347 -197.94573 10.94775 2.89587 -197.27845 977.97241
855.0000 -208.86938 -198.67420 10.19518 2.86122 -197.95358 961.23192
860.0000 -210.06768 -199.97829 10.08939 2.80533 -199.04260 910.53396
865.0000 -208.18122 -195.14331 13.03792 2.87596 -197.66644 963.76901
870.0000 -206.86651 -196.57459 10.29192 2.95844 -196.05932 1023.01088
875.0000 -208.25018 -195.95168 12.29850 2.92095 -196.78994 985.38241
880.0000 -205.84544 -193.66349 12.18195 3.00959 -195.06286 1080.42843
885.0000 -206.79234 -195.58945 11.20289 3.02611 -194.74091 1055.57935
890.0000 -206.04695 -194.32478 11.72218 3.01728 -194.91297 1046.72877
895.0000 -206.57199 -196.15757 10.41443 3.04617 -194.35004 1091.94309
900.0000 -206.18686 -196.15273 10.03413 2.94425 -196.33579 1002.77601
905.0000 -206.79827 -195.39130 11.40696 2.96263 -195.97786 1008.94217
910.0000 -206.92103 -194.01247 12.90856 3.03212 -194.62390 1056.98560
915.0000 -205.04396 -193.62748 11.41648 3.09952 -193.31072 1092.85085
920.0000 -207.19840 -195.10959 12.08882 3.04490 -194.37481 1071.09026
925.0000 -206.77311 -193.98915 12.78396 3.08522 -193.58924 1092.20584
930.0000 -206.06485 -195.46628 10.59857 2.98436 -195.55447 1023.87883
935.0000 -206.51216 -195.44719 11.06497 3.00057 -195.23857 1025.54068
940.0000 -204.63535 -193.99968 10.63568 3.09065 -193.48358 1071.18419
945.0000 -206.48040 -195.35722 11.12318 3.00609 -195.13100 1048.27302
950.0000 -207.34015 -195.00065 12.33950 3.03816 -194.50620 1068.37502
955.0000 -205.84282 -195.05532 10.78749 2.98015 -195.63640 1050.01287
960.0000 -209.88627 -199.22383 10.66245 2.88858 -197.42059 966.39802
965.0000 -207.41046 -196.11608 11.29438 2.86789 -197.82357 936.05799
970.0000 -206.61783 -195.47337 11.14446 3.00411 -195.16970 1055.42383
975.0000 -207.66033 -196.97143 10.68890 2.99040 -195.43674 1024.80678
980.0000 -208.89169 -197.35915 11.53255 2.87782 -197.63019 954.69994
985.0000 -208.52051 -196.24776 12.27275 2.92891 -196.63478 957.21241
990.0000 -207.96247 -195.60742 12.35505 2.95259 -196.17336 1028.14661
995.0000 -206.73720 -195.92441 10.81278 2.97085 -195.81758 1034.49819
1000.0000 -207.67290 -196.02183 11.65107 2.95220 -196.18091 1004.98340
FREEZING PROCESS: loop number 5 T-loop= 999.00000000000000
main_MD> interactions number 5 at Temperature= 999.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.48781 0.34577 -2.54166
force_rgl> df(natom) -2.33874 1.58651 -0.21776
1005.0000 -206.14503 -196.21040 9.93463 2.94245 -196.37095 1001.81340
1010.0000 -207.04139 -196.39096 10.65043 2.97723 -195.69330 1035.12516
1015.0000 -206.98916 -196.00667 10.98249 2.98248 -195.59097 1026.97355
1020.0000 -206.95310 -196.44923 10.50387 2.91194 -196.96543 984.01353
1025.0000 -208.54634 -197.85407 10.69227 2.88646 -197.46180 971.64674
1030.0000 -208.41097 -196.35744 12.05353 2.90663 -197.06889 1004.69041
1035.0000 -209.50974 -198.03642 11.47332 2.90346 -197.13061 986.36553
1040.0000 -208.38957 -197.58052 10.80905 2.89724 -197.25184 981.08217
1045.0000 -209.87783 -198.69354 11.18429 2.86675 -197.84583 942.70890
1050.0000 -208.62524 -198.18426 10.44098 2.84063 -198.35473 946.79469
1055.0000 -206.27134 -195.81977 10.45156 2.87093 -197.76441 982.48736
1060.0000 -210.53278 -198.34474 12.18804 2.93568 -196.50290 988.76008
1065.0000 -207.90477 -196.22034 11.68443 2.87621 -197.66154 934.11739
1070.0000 -209.15622 -197.07625 12.07997 2.92658 -196.68018 990.93104
1075.0000 -209.29811 -198.02142 11.27669 2.86273 -197.92413 964.83742
1080.0000 -208.22504 -199.37676 8.84828 2.85853 -198.00603 951.20554
1085.0000 -209.19302 -198.35293 10.84009 2.83020 -198.55800 936.28326
1090.0000 -207.86555 -197.09197 10.77359 2.84685 -198.23359 940.57903
1095.0000 -209.08407 -198.94492 10.13916 2.84129 -198.34182 926.75435
1100.0000 -208.67082 -196.93586 11.73496 2.90772 -197.04770 979.33032
1105.0000 -205.40685 -194.43415 10.97269 2.97696 -195.69862 1017.24339
1110.0000 -207.12503 -194.66934 12.45569 3.02467 -194.76895 1038.60144
1115.0000 -208.00024 -196.60599 11.39424 2.92283 -196.75314 988.01304
1120.0000 -203.66199 -192.44077 11.22122 2.98718 -195.49944 1027.40408
1125.0000 -207.36470 -196.52091 10.84378 3.07504 -193.78773 1071.23920
1130.0000 -206.29625 -196.62461 9.67164 2.93168 -196.58079 974.20375
1135.0000 -206.38293 -193.07747 13.30546 3.02020 -194.85611 1050.00349
1140.0000 -208.53688 -198.72926 9.80762 2.95218 -196.18143 1004.29968
1145.0000 -206.27501 -196.24142 10.03359 2.91214 -196.96147 1002.50156
1150.0000 -206.62954 -195.05259 11.57695 3.00498 -195.15274 1058.64352
1155.0000 -205.97222 -194.93579 11.03643 2.98471 -195.54756 1043.72826
1160.0000 -208.11987 -196.95343 11.16643 3.00661 -195.12085 1071.00907
1165.0000 -205.90077 -196.62622 9.27454 2.91252 -196.95415 984.46349
1170.0000 -206.10846 -195.22005 10.88841 2.95906 -196.04734 1005.20650
1175.0000 -206.73122 -195.07519 11.65603 2.97833 -195.67198 1045.09646
1180.0000 -208.83014 -196.44866 12.38148 2.95907 -196.04723 1005.94047
1185.0000 -208.08069 -197.46771 10.61298 2.91559 -196.89428 976.90285
1190.0000 -207.56364 -194.68897 12.87467 2.92473 -196.71623 1006.66082
1195.0000 -208.69280 -196.67300 12.01980 2.94860 -196.25119 1022.63364
1200.0000 -207.84548 -196.26773 11.57775 2.95978 -196.03336 985.46316
1205.0000 -208.00239 -198.02224 9.98015 2.89109 -197.37167 979.35650
1210.0000 -207.92231 -197.75321 10.16910 2.87713 -197.64360 934.02582
1215.0000 -209.00079 -198.72607 10.27471 2.83513 -198.46192 953.85993
1220.0000 -205.94327 -196.16603 9.77724 2.93824 -196.45304 982.63072
1225.0000 -208.94732 -197.22623 11.72109 2.95710 -196.08554 1035.39359
1230.0000 -208.38953 -197.31402 11.07551 2.90348 -197.13025 971.40827
1235.0000 -205.77921 -194.68394 11.09528 2.93078 -196.59823 994.90062
1240.0000 -203.57684 -192.14047 11.43637 3.08247 -193.64283 1134.96145
1245.0000 -205.13009 -194.04182 11.08828 3.11858 -192.93934 1134.21007
1250.0000 -207.93740 -196.26255 11.67484 2.98601 -195.52225 1038.55424
FREEZING PROCESS: loop number 6 T-loop= 974.00000000000000
main_MD> interactions number 6 at Temperature= 974.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.42607 -1.18176 0.67494
force_rgl> df(natom) 3.28414 -3.66156 1.26242
1255.0000 -208.40860 -197.47150 10.93709 2.89926 -197.21251 933.65664
1260.0000 -206.42505 -195.99046 10.43459 2.93004 -196.61284 999.52642
1265.0000 -208.91660 -197.01903 11.89758 2.98231 -195.59443 1033.29363
1270.0000 -207.19436 -196.01556 11.17880 2.94722 -196.27803 1031.14893
1275.0000 -208.88831 -197.21684 11.67147 2.98129 -195.61427 1012.60778
1280.0000 -207.69314 -199.09684 8.59630 2.85433 -198.08778 931.63848
1285.0000 -209.71584 -200.50570 9.21014 2.78929 -199.35502 904.94182
1290.0000 -209.38877 -199.15714 10.23163 2.81353 -198.88275 920.08567
1295.0000 -209.53093 -199.57919 9.95174 2.77047 -199.72170 892.01221
1300.0000 -209.27313 -198.03181 11.24132 2.86009 -197.97554 956.47148
1305.0000 -208.01783 -197.38112 10.63671 2.87294 -197.72523 941.19491
1310.0000 -207.18677 -197.09178 10.09499 2.93037 -196.60623 975.83194
1315.0000 -207.30200 -195.96894 11.33306 2.92611 -196.68935 981.68548
1320.0000 -208.44832 -197.91242 10.53590 2.91703 -196.86614 995.79919
1325.0000 -209.43152 -198.20650 11.22501 2.83891 -198.38829 931.47992
1330.0000 -207.78992 -197.10941 10.68051 2.86144 -197.94924 937.30353
1335.0000 -206.55841 -195.54632 11.01209 2.96391 -195.95290 995.06607
1340.0000 -209.96436 -198.80145 11.16291 2.94828 -196.25731 997.76618
1345.0000 -208.58162 -199.32707 9.25455 2.84806 -198.20992 928.34655
1350.0000 -208.16065 -197.38387 10.77679 2.87392 -197.70616 937.92591
1355.0000 -208.36840 -197.43897 10.92943 2.85233 -198.12685 951.30060
1360.0000 -209.19387 -198.29160 10.90227 2.83344 -198.49476 938.64870
1365.0000 -207.97782 -197.27568 10.70214 2.83247 -198.51365 948.17501
1370.0000 -210.50994 -197.97308 12.53686 2.86055 -197.96660 951.56017
1375.0000 -211.41829 -199.26667 12.15162 2.82540 -198.65141 925.78138
1380.0000 -209.31998 -199.16248 10.15750 2.83521 -198.46042 961.03105
1385.0000 -209.25602 -198.86914 10.38688 2.80065 -199.13365 923.87675
1390.0000 -207.60890 -195.71032 11.89858 2.85110 -198.15077 923.53607
1395.0000 -207.18690 -196.58122 10.60568 2.96068 -196.01579 1025.65991
1400.0000 -207.54828 -196.21761 11.33067 2.95631 -196.10092 1004.89719
1405.0000 -209.25345 -197.92860 11.32485 2.90162 -197.16649 963.17391
1410.0000 -210.44256 -198.08898 12.35358 2.86947 -197.79284 955.12957
1415.0000 -209.44340 -199.28609 10.15731 2.79678 -199.20905 914.57382
1420.0000 -207.12473 -197.57991 9.54482 2.82151 -198.72728 955.49038
1425.0000 -208.17455 -197.07004 11.10451 2.85810 -198.01435 982.83515
1430.0000 -208.25748 -196.76249 11.49499 2.94190 -196.38162 982.42357
1435.0000 -209.15365 -198.87199 10.28165 2.84611 -198.24793 944.57625
1440.0000 -207.81047 -196.80487 11.00560 2.83936 -198.37956 925.84547
1445.0000 -208.50601 -197.63140 10.87461 2.88227 -197.54347 968.86803
1450.0000 -210.27994 -199.16424 11.11570 2.85605 -198.05441 968.41100
1455.0000 -206.99466 -197.42467 9.56999 2.84685 -198.23365 944.33153
1460.0000 -207.85026 -197.78521 10.06505 2.86468 -197.88612 975.75454
1465.0000 -208.71505 -198.51874 10.19631 2.79319 -199.27899 897.31361
1470.0000 -207.54064 -196.33615 11.20449 2.89150 -197.36365 962.90091
1475.0000 -206.95905 -196.72929 10.22975 2.95475 -196.13137 1014.79963
1480.0000 -208.01200 -196.45446 11.55754 2.95489 -196.12855 1007.65697
1485.0000 -208.08227 -196.97898 11.10330 2.89303 -197.33389 976.03418
1490.0000 -207.70620 -196.21274 11.49346 2.87681 -197.64994 955.46765
1495.0000 -208.18118 -196.45522 11.72596 2.87940 -197.59932 950.72145
1500.0000 -207.29759 -196.27973 11.01786 2.93581 -196.50027 1015.19232
FREEZING PROCESS: loop number 7 T-loop= 949.00000000000000
main_MD> interactions number 7 at Temperature= 949.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42617 -0.66239 2.85121
force_rgl> df(natom) 1.77845 -0.48751 -2.34034
1505.0000 -206.06296 -196.37648 9.68648 2.90366 -197.12667 981.86962
1510.0000 -207.58850 -195.63279 11.95572 2.97281 -195.77945 1015.77908
1515.0000 -209.00494 -198.03374 10.97120 2.93279 -196.55925 973.56320
1520.0000 -207.81514 -197.07512 10.74002 2.93179 -196.57873 975.36960
1525.0000 -207.33359 -195.78901 11.54458 2.91015 -197.00018 965.99443
1530.0000 -209.01888 -199.96698 9.05189 2.85900 -197.99683 964.46294
1535.0000 -210.00792 -198.25205 11.75587 2.79657 -199.21325 904.28213
1540.0000 -208.12880 -196.83134 11.29746 2.90052 -197.18788 993.02593
1545.0000 -209.30130 -198.71404 10.58726 2.86079 -197.96197 961.02761
1550.0000 -209.77711 -196.37032 13.40680 2.85772 -198.02180 938.80400
1555.0000 -207.56278 -196.79543 10.76735 2.98091 -195.62161 1013.02212
1560.0000 -206.14656 -195.18600 10.96056 2.92378 -196.73469 982.04909
1565.0000 -209.00851 -197.67139 11.33712 2.91646 -196.87734 980.42819
1570.0000 -205.80099 -195.90853 9.89246 2.91660 -196.87458 978.88334
1575.0000 -208.66655 -197.77967 10.88688 2.91425 -196.92038 974.70117
1580.0000 -206.19020 -194.15579 12.03441 3.00450 -195.16197 1052.14249
1585.0000 -207.89145 -196.55558 11.33587 2.97451 -195.74639 1030.55242
1590.0000 -210.61481 -200.19340 10.42142 2.82617 -198.63644 934.11786
1595.0000 -209.25015 -198.66340 10.58675 2.83576 -198.44969 935.52024
1600.0000 -207.71245 -197.04475 10.66770 2.78612 -199.41684 918.50502
1605.0000 -208.40576 -198.60016 9.80560 2.83163 -198.53005 944.53635
1610.0000 -209.77550 -199.85088 9.92463 2.78509 -199.43686 922.42085
1615.0000 -209.77276 -200.84487 8.92789 2.71183 -200.86427 842.29609
1620.0000 -210.03433 -199.00174 11.03259 2.80140 -199.11918 934.60574
1625.0000 -209.06010 -198.71429 10.34582 2.84588 -198.25249 954.05529
1630.0000 -209.92047 -199.06644 10.85403 2.82817 -198.59756 919.57817
1635.0000 -209.34402 -198.20729 11.13673 2.75424 -200.03784 906.94414
1640.0000 -207.76399 -196.99939 10.76460 2.88785 -197.43478 987.70304
1645.0000 -209.78097 -197.93817 11.84280 2.86088 -197.96027 964.94309
1650.0000 -209.59672 -200.36749 9.22923 2.80984 -198.95456 926.94163
1655.0000 -209.93760 -199.84447 10.09313 2.76525 -199.82346 897.24325
1660.0000 -210.99614 -199.49066 11.50547 2.76283 -199.87062 898.52635
1665.0000 -209.09884 -199.30804 9.79080 2.77514 -199.63064 912.72640
1670.0000 -208.66399 -199.73983 8.92416 2.77723 -199.58993 915.19108
1675.0000 -208.73909 -198.19790 10.54119 2.81460 -198.86186 927.77341
1680.0000 -210.31967 -200.30648 10.01319 2.78511 -199.43655 905.98589
1685.0000 -210.90928 -201.58108 9.32820 2.68266 -201.43251 891.07839
1690.0000 -208.03234 -198.95613 9.07621 2.76807 -199.76849 907.31276
1695.0000 -207.41738 -196.83545 10.58193 2.87773 -197.63191 989.84773
1700.0000 -208.28785 -196.95073 11.33712 2.92068 -196.79514 995.21686
1705.0000 -208.68222 -197.78047 10.90175 2.90676 -197.06637 984.44487
1710.0000 -207.71103 -198.07785 9.63318 2.89760 -197.24481 975.78414
1715.0000 -209.73425 -199.00585 10.72840 2.81472 -198.85956 896.74685
1720.0000 -210.38846 -200.83673 9.55172 2.79665 -199.21156 931.57039
1725.0000 -208.70315 -199.95101 8.75214 2.69645 -201.16395 835.62209
1730.0000 -210.18846 -198.41998 11.76847 2.76527 -199.82308 910.25442
1735.0000 -209.85055 -200.56377 9.28678 2.75561 -200.01125 871.46619
1740.0000 -210.06326 -199.68791 10.37535 2.77233 -199.68555 917.32527
1745.0000 -208.80061 -200.37207 8.42854 2.78563 -199.42633 919.89054
1750.0000 -210.18424 -199.53354 10.65070 2.78315 -199.47464 907.01926
FREEZING PROCESS: loop number 8 T-loop= 924.00000000000000
main_MD> interactions number 8 at Temperature= 924.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10144 -0.79225 -1.09839
force_rgl> df(natom) -3.50988 -0.83151 -2.37000
1755.0000 -208.42940 -198.86107 9.56833 2.78688 -199.40201 893.46884
1760.0000 -209.97530 -199.53263 10.44267 2.84937 -198.18451 953.50330
1765.0000 -208.68405 -198.77846 9.90559 2.84258 -198.31679 933.52378
1770.0000 -209.22679 -199.24098 9.98582 2.76380 -199.85167 876.88149
1775.0000 -209.45633 -200.22095 9.23538 2.74199 -200.27662 892.95286
1780.0000 -210.76046 -202.19141 8.56905 2.67065 -201.66647 838.92458
1785.0000 -211.79633 -202.48663 9.30970 2.67445 -201.59250 836.49132
1790.0000 -211.50946 -201.29117 10.21829 2.66140 -201.84682 805.65175
1795.0000 -210.32907 -201.08462 9.24445 2.71975 -200.70992 861.19863
1800.0000 -209.68543 -198.20859 11.47684 2.77359 -199.66095 913.36302
1805.0000 -208.38245 -198.39448 9.98798 2.84188 -198.33046 940.53895
1810.0000 -209.94964 -200.85807 9.09157 2.78346 -199.46869 940.23360
1815.0000 -210.75588 -201.04537 9.71051 2.77057 -199.71982 893.64279
1820.0000 -209.50051 -201.17611 8.32440 2.68246 -201.43649 827.00217
1825.0000 -207.99316 -198.44522 9.54794 2.78019 -199.53239 893.79204
1830.0000 -210.38545 -199.16411 11.22134 2.82167 -198.72422 935.46378
1835.0000 -209.61142 -197.99235 11.61907 2.78939 -199.35313 898.36954
1840.0000 -206.88896 -194.54569 12.34327 2.99663 -195.31536 1018.12025
1845.0000 -207.44276 -197.44036 10.00239 2.97031 -195.82814 993.80128
1850.0000 -208.32279 -198.82959 9.49320 2.86135 -197.95113 954.79352
1855.0000 -209.76732 -201.44655 8.32077 2.73941 -200.32688 880.42463
1860.0000 -210.84085 -199.70788 11.13297 2.69948 -201.10484 873.29270
1865.0000 -207.97809 -197.20679 10.77130 2.79355 -199.27203 906.25457
1870.0000 -207.63648 -197.72737 9.90911 2.86081 -197.96149 926.21655
1875.0000 -207.25091 -195.53990 11.71101 2.96028 -196.02360 1014.48124
1880.0000 -206.32237 -197.40479 8.91758 2.92080 -196.79284 967.49947
1885.0000 -207.44732 -198.54172 8.90560 2.89323 -197.33001 954.80070
1890.0000 -208.45694 -198.99237 9.46458 2.80455 -199.05764 921.94629
1895.0000 -211.62467 -202.03584 9.58884 2.72417 -200.62373 874.69858
1900.0000 -209.35895 -198.72847 10.63047 2.71397 -200.82248 846.16072
1905.0000 -209.96088 -198.33936 11.62153 2.87092 -197.76464 953.78577
1910.0000 -209.22245 -200.56140 8.66106 2.75064 -200.10798 903.84746
1915.0000 -209.46964 -199.97416 9.49547 2.69239 -201.24301 832.66848
1920.0000 -209.56729 -200.55269 9.01460 2.74570 -200.20425 862.81824
1925.0000 -208.06870 -198.73512 9.33358 2.78580 -199.42300 897.00984
1930.0000 -208.25892 -197.43877 10.82015 2.84842 -198.20303 940.96792
1935.0000 -207.77907 -198.53564 9.24343 2.83745 -198.41679 938.51210
1940.0000 -207.81016 -197.11098 10.69919 2.90710 -197.05965 986.62923
1945.0000 -208.74176 -196.20870 12.53306 2.97326 -195.77069 1016.14642
1950.0000 -207.53513 -195.95417 11.58095 2.93051 -196.60358 968.94250
1955.0000 -208.10028 -198.31281 9.78747 2.92722 -196.66774 969.65858
1960.0000 -210.24830 -198.99855 11.24975 2.83109 -198.54071 955.96351
1965.0000 -208.31799 -199.00804 9.30995 2.81522 -198.84986 938.18200
1970.0000 -205.57635 -196.39308 9.18327 2.84170 -198.33395 947.24276
1975.0000 -206.68362 -196.32615 10.35747 2.97152 -195.80462 1026.55654
1980.0000 -208.24570 -198.60240 9.64330 2.87043 -197.77422 963.20142
1985.0000 -211.66455 -199.53050 12.13405 2.83128 -198.53691 960.27154
1990.0000 -207.81980 -197.53135 10.28845 2.81625 -198.82978 950.04843
1995.0000 -209.49892 -199.46846 10.03046 2.85324 -198.10912 972.61700
2000.0000 -210.51587 -200.56947 9.94640 2.75294 -200.06322 926.29514
FREEZING PROCESS: loop number 9 T-loop= 899.00000000000000
main_MD> interactions number 9 at Temperature= 899.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23357 0.36787 0.47019
force_rgl> df(natom) -0.42062 1.00592 1.04900
2005.0000 -210.21951 -200.26117 9.95834 2.67390 -201.60315 852.83845
2010.0000 -211.23644 -203.08972 8.14673 2.67550 -201.57199 830.97092
2015.0000 -208.26911 -198.92999 9.33912 2.68925 -201.30409 817.60824
2020.0000 -209.11727 -200.08333 9.03394 2.77801 -199.57484 895.25851
2025.0000 -210.42724 -199.43515 10.99208 2.73362 -200.43972 876.42839
2030.0000 -209.83763 -198.99914 10.83849 2.77131 -199.70542 912.84419
2035.0000 -207.33633 -197.24584 10.09049 2.85363 -198.10151 956.90826
2040.0000 -210.18030 -199.20602 10.97428 2.86141 -197.94991 918.13498
2045.0000 -210.35136 -202.01774 8.33362 2.70259 -201.04434 856.24184
2050.0000 -211.00092 -202.02396 8.97696 2.65032 -202.06257 830.55813
2055.0000 -210.75307 -200.31635 10.43672 2.69220 -201.24672 856.45932
2060.0000 -210.11031 -200.61836 9.49195 2.76238 -199.87928 901.92135
2065.0000 -211.06135 -200.57598 10.48537 2.71784 -200.74721 876.11217
2070.0000 -209.78025 -199.26417 10.51608 2.77479 -199.63747 904.07062
2075.0000 -210.02329 -200.78937 9.23392 2.76497 -199.82887 879.82224
2080.0000 -209.03028 -199.15194 9.87834 2.75286 -200.06491 866.30888
2085.0000 -209.87842 -199.82498 10.05344 2.74971 -200.12624 856.87475
2090.0000 -211.32524 -200.79752 10.52772 2.71614 -200.78032 864.11207
2095.0000 -212.77895 -204.15722 8.62173 2.62545 -202.54720 818.07769
2100.0000 -210.63788 -201.43591 9.20197 2.60515 -202.94276 792.39562
2105.0000 -208.56956 -199.78084 8.78871 2.75887 -199.94771 885.18549
2110.0000 -211.27260 -199.64398 11.62862 2.77197 -199.69242 899.37897
2115.0000 -210.24258 -200.57264 9.66994 2.77989 -199.53813 924.55016
2120.0000 -211.22881 -202.45223 8.77658 2.68671 -201.35361 855.51021
2125.0000 -210.20739 -201.64611 8.56129 2.64677 -202.13186 823.93299
2130.0000 -209.06330 -199.26250 9.80080 2.77695 -199.59541 882.65378
2135.0000 -208.95747 -197.73580 11.22167 2.83950 -198.37669 955.51275
2140.0000 -209.05157 -197.90121 11.15036 2.84796 -198.21189 931.98644
2145.0000 -209.37861 -197.54802 11.83060 2.83299 -198.50361 935.98140
2150.0000 -209.90066 -200.49212 9.40853 2.79576 -199.22888 900.35003
2155.0000 -210.78360 -200.50559 10.27801 2.72726 -200.56364 887.10372
2160.0000 -212.19139 -202.51088 9.68051 2.69683 -201.15653 866.43190
2165.0000 -212.14440 -203.03376 9.11064 2.62477 -202.56046 802.05225
2170.0000 -208.98679 -198.58754 10.39925 2.74705 -200.17795 886.80091
2175.0000 -208.99475 -198.02578 10.96896 2.85114 -198.14999 974.57966
2180.0000 -211.27851 -200.36398 10.91454 2.81946 -198.76725 934.51459
2185.0000 -208.76687 -199.40654 9.36033 2.75843 -199.95624 893.90532
2190.0000 -210.81929 -200.27941 10.53988 2.79203 -199.30157 894.84783
2195.0000 -211.23141 -200.77577 10.45564 2.71881 -200.72821 870.40005
2200.0000 -209.56597 -199.60757 9.95840 2.73914 -200.33216 871.81918
2205.0000 -209.13716 -199.91381 9.22335 2.79165 -199.30901 924.73933
2210.0000 -209.98758 -199.47473 10.51285 2.75097 -200.10161 888.84685
2215.0000 -211.14821 -200.90938 10.23882 2.72274 -200.65172 855.88012
2220.0000 -208.64824 -197.94115 10.70710 2.81624 -198.82987 921.53842
2225.0000 -207.74892 -199.01943 8.72948 2.82644 -198.63119 945.25936
2230.0000 -210.09010 -198.29214 11.79796 2.81566 -198.84127 920.94924
2235.0000 -207.46505 -198.49236 8.97269 2.85099 -198.15288 943.35219
2240.0000 -209.93195 -198.67681 11.25514 2.80172 -199.11293 928.71840
2245.0000 -207.36225 -197.35464 10.00761 2.87150 -197.75325 932.07635
2250.0000 -209.40557 -199.82003 9.58554 2.82495 -198.66025 928.85091
FREEZING PROCESS: loop number 10 T-loop= 874.00000000000000
main_MD> interactions number 10 at Temperature= 874.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.51252 -0.80961 -0.38745
force_rgl> df(natom) -4.60095 -0.68144 3.99860
2255.0000 -208.93045 -198.77862 10.15184 2.80321 -199.08376 906.10304
2260.0000 -209.11006 -200.22466 8.88540 2.76784 -199.77286 886.08541
2265.0000 -209.43862 -199.41678 10.02184 2.76999 -199.73105 895.72799
2270.0000 -209.16353 -199.92525 9.23828 2.73471 -200.41844 858.55185
2275.0000 -210.14665 -200.69578 9.45087 2.71606 -200.78188 859.64627
2280.0000 -211.19155 -200.86180 10.32975 2.71542 -200.79426 866.76555
2285.0000 -212.13517 -202.57978 9.55539 2.61866 -202.67943 809.54165
2290.0000 -210.81045 -201.24099 9.56946 2.65289 -202.01260 839.94848
2295.0000 -210.40285 -199.82123 10.58161 2.70992 -200.90144 840.59043
2300.0000 -209.46890 -200.93607 8.53284 2.76387 -199.85033 866.24600
2305.0000 -212.29624 -201.94735 10.34889 2.68437 -201.39921 830.05756
2310.0000 -209.62449 -200.98783 8.63666 2.67806 -201.52219 848.19047
2315.0000 -211.55174 -201.95559 9.59616 2.64170 -202.23065 797.71820
2320.0000 -209.87726 -200.01030 9.86696 2.70417 -201.01354 875.54231
2325.0000 -209.87325 -200.92623 8.94703 2.70935 -200.91261 854.84809
2330.0000 -209.35475 -198.71519 10.63956 2.76058 -199.91433 904.82762
2335.0000 -208.83049 -200.23462 8.59588 2.74795 -200.16040 884.70578
2340.0000 -208.21868 -199.35107 8.86761 2.73152 -200.48055 857.95800
2345.0000 -209.03082 -201.09100 7.93982 2.79795 -199.18632 914.97221
2350.0000 -210.57080 -202.36790 8.20290 2.64602 -202.14650 785.11260
2355.0000 -210.34143 -202.08012 8.26131 2.63384 -202.38371 818.77770
2360.0000 -210.61206 -200.54267 10.06939 2.71003 -200.89931 867.76282
2365.0000 -209.23638 -199.85123 9.38515 2.69649 -201.16311 847.65114
2370.0000 -210.67881 -200.44323 10.23558 2.75291 -200.06390 867.27813
2375.0000 -212.00318 -201.84875 10.15443 2.70993 -200.90126 875.26424
2380.0000 -209.56821 -200.66575 8.90245 2.70530 -200.99154 844.06686
2385.0000 -209.01170 -199.38733 9.62436 2.74550 -200.20822 869.32073
2390.0000 -210.26317 -199.13256 11.13062 2.79902 -199.16544 916.89610
2395.0000 -210.60426 -200.51711 10.08716 2.78272 -199.48304 893.65529
2400.0000 -208.62594 -198.07560 10.55034 2.83629 -198.43939 933.41050
2405.0000 -209.32509 -199.98641 9.33868 2.86024 -197.97271 958.94993
2410.0000 -210.86065 -201.74746 9.11320 2.71199 -200.86104 865.98601
2415.0000 -208.36764 -197.88904 10.47859 2.78171 -199.50276 904.83230
2420.0000 -209.44567 -198.58801 10.85766 2.80107 -199.12558 898.38350
2425.0000 -208.70290 -198.45121 10.25169 2.77345 -199.66358 902.46039
2430.0000 -210.77509 -199.70917 11.06592 2.78772 -199.38559 905.74818
2435.0000 -210.75109 -203.27072 7.48038 2.70787 -200.94133 861.36064
2440.0000 -211.28265 -201.72860 9.55405 2.63717 -202.31888 817.43689
2445.0000 -210.46398 -201.50647 8.95751 2.70099 -201.07551 857.66783
2450.0000 -210.56845 -201.78071 8.78774 2.64248 -202.21543 820.18241
2455.0000 -210.42014 -200.11371 10.30643 2.69073 -201.27530 840.70460
2460.0000 -210.81616 -202.34933 8.46683 2.70319 -201.03254 849.74732
2465.0000 -210.35799 -200.81177 9.54622 2.67511 -201.57963 830.22398
2470.0000 -210.86003 -201.11319 9.74684 2.69710 -201.15125 837.23044
2475.0000 -211.21135 -202.03583 9.17552 2.68313 -201.42339 823.53958
2480.0000 -211.47010 -201.75698 9.71312 2.66618 -201.75367 842.37968
2485.0000 -209.99517 -198.97627 11.01890 2.74938 -200.13255 866.36418
2490.0000 -209.93616 -199.60088 10.33528 2.78762 -199.38761 909.19118
2495.0000 -210.77464 -200.22699 10.54765 2.77505 -199.63241 912.23468
2500.0000 -210.19828 -200.30155 9.89673 2.75046 -200.11167 878.55949
FREEZING PROCESS: loop number 11 T-loop= 849.00000000000000
main_MD> interactions number 11 at Temperature= 849.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.81848 -0.13420 -2.25174
force_rgl> df(natom) -0.10927 0.23387 0.94375
2505.0000 -212.69205 -203.86758 8.82447 2.67864 -201.51088 840.30940
2510.0000 -212.47340 -203.38313 9.09027 2.58140 -203.40538 767.68250
2515.0000 -210.50211 -202.34468 8.15743 2.61402 -202.76998 767.18816
2520.0000 -212.44178 -203.26352 9.17827 2.62894 -202.47923 814.19819
2525.0000 -212.92378 -203.50971 9.41406 2.56671 -203.69158 760.32921
2530.0000 -213.22825 -203.34809 9.88016 2.59297 -203.17996 792.00480
2535.0000 -212.06699 -202.56722 9.49977 2.58263 -203.38153 792.93711
2540.0000 -210.64330 -201.90204 8.74126 2.66942 -201.69053 831.13794
2545.0000 -212.63105 -203.90284 8.72820 2.59387 -203.16246 804.45122
2550.0000 -209.89425 -201.83462 8.05963 2.60269 -202.99074 790.30199
2555.0000 -209.15898 -200.40233 8.75665 2.68810 -201.32661 852.67960
2560.0000 -210.03908 -198.76638 11.27270 2.77961 -199.54373 923.28899
2565.0000 -207.87727 -199.06033 8.81694 2.83725 -198.42057 951.64587
2570.0000 -208.67839 -199.92720 8.75119 2.81546 -198.84522 926.39854
2575.0000 -212.17178 -203.37144 8.80034 2.63069 -202.44502 795.73719
2580.0000 -210.94447 -202.19593 8.74855 2.58612 -203.31339 796.71871
2585.0000 -212.39237 -203.28776 9.10461 2.60260 -202.99246 782.53896
2590.0000 -210.03312 -201.35870 8.67442 2.68476 -201.39170 838.16132
2595.0000 -210.74769 -201.82115 8.92654 2.63287 -202.40261 804.36573
2600.0000 -210.08463 -201.54101 8.54362 2.65712 -201.93007 804.02450
2605.0000 -210.15731 -202.21805 7.93926 2.67060 -201.66748 795.05035
2610.0000 -210.91998 -201.77942 9.14055 2.69000 -201.28957 831.24812
2615.0000 -211.41274 -201.74108 9.67166 2.68609 -201.36571 844.43582
2620.0000 -213.02529 -203.74025 9.28504 2.66576 -201.76192 828.82841
2625.0000 -212.53859 -202.22181 10.31677 2.61788 -202.69468 830.35268
2630.0000 -208.95093 -199.62792 9.32302 2.66707 -201.73635 823.57025
2635.0000 -210.40477 -200.03147 10.37331 2.74073 -200.30116 875.32136
2640.0000 -210.81182 -202.20246 8.60936 2.73620 -200.38940 863.17160
2645.0000 -212.78200 -203.38777 9.39422 2.62625 -202.53161 806.23655
2650.0000 -212.89724 -203.90044 8.99680 2.51238 -204.75026 747.28323
2655.0000 -213.95920 -204.77056 9.18864 2.52490 -204.50623 755.48787
2660.0000 -210.70716 -202.12333 8.58383 2.58460 -203.34305 805.94033
2665.0000 -211.00194 -201.87235 9.12958 2.65177 -202.03440 819.51462
2670.0000 -210.61175 -201.67759 8.93416 2.64094 -202.24539 841.76949
2675.0000 -210.17039 -199.80980 10.36059 2.76503 -199.82779 914.77892
2680.0000 -209.85746 -199.54090 10.31656 2.73210 -200.46933 878.41596
2685.0000 -211.01351 -201.79712 9.21639 2.68591 -201.36915 837.21543
2690.0000 -211.78473 -201.61211 10.17262 2.64639 -202.13930 813.81130
2695.0000 -210.88965 -202.08908 8.80058 2.64165 -202.23156 815.89218
2700.0000 -209.87694 -200.11366 9.76328 2.69616 -201.16961 855.26219
2705.0000 -211.65296 -200.29702 11.35594 2.75395 -200.04358 876.71915
2710.0000 -210.06159 -200.06598 9.99561 2.72730 -200.56286 864.26404
2715.0000 -210.60969 -201.81068 8.79902 2.70737 -200.95109 840.26525
2720.0000 -211.06984 -201.99149 9.07835 2.62549 -202.54636 793.71045
2725.0000 -209.86526 -199.88495 9.98031 2.72051 -200.69518 877.79409
2730.0000 -210.46694 -201.48378 8.98316 2.69593 -201.17403 866.67357
2735.0000 -209.57682 -200.88738 8.68943 2.76803 -199.76927 874.60218
2740.0000 -211.01012 -201.04121 9.96892 2.70040 -201.08696 853.79563
2745.0000 -210.88139 -200.28317 10.59822 2.70790 -200.94080 871.17307
2750.0000 -212.41668 -202.69353 9.72315 2.66270 -201.82138 840.85815
FREEZING PROCESS: loop number 12 T-loop= 824.00000000000000
main_MD> interactions number 12 at Temperature= 824.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.64113 2.28246 2.35684
force_rgl> df(natom) 0.64584 -0.15258 -2.01964
2755.0000 -211.33529 -201.70665 9.62863 2.63733 -202.31582 798.25415
2760.0000 -211.53658 -202.97305 8.56353 2.65261 -202.01802 834.83599
2765.0000 -211.43278 -203.69825 7.73453 2.61650 -202.72157 817.88893
2770.0000 -213.63514 -205.43547 8.19967 2.49889 -205.01308 737.96025
2775.0000 -212.95101 -205.61430 7.33671 2.46656 -205.64302 716.14854
2780.0000 -212.35269 -203.68780 8.66488 2.52680 -204.46915 737.89571
2785.0000 -211.64526 -202.57164 9.07361 2.64134 -202.23757 843.99314
2790.0000 -211.28871 -202.65389 8.63482 2.62749 -202.50742 806.83225
2795.0000 -212.48849 -202.69191 9.79658 2.59270 -203.18522 778.66694
2800.0000 -211.15369 -202.27473 8.87896 2.60204 -203.00339 794.72328
2805.0000 -211.60628 -201.23267 10.37361 2.65121 -202.04537 837.01769
2810.0000 -211.86626 -201.55816 10.30811 2.64448 -202.17645 822.17272
2815.0000 -209.06664 -200.44085 8.62579 2.72164 -200.67310 844.72056
2820.0000 -211.37757 -203.54236 7.83520 2.64853 -202.09748 818.83602
2825.0000 -209.82272 -201.28122 8.54150 2.63135 -202.43221 810.76981
2830.0000 -211.54222 -202.44959 9.09263 2.68338 -201.41853 848.08787
2835.0000 -211.23724 -202.46032 8.77693 2.60445 -202.95641 783.88245
2840.0000 -211.33172 -202.87939 8.45233 2.63408 -202.37913 821.09137
2845.0000 -212.16816 -203.50707 8.66109 2.60625 -202.92124 791.81258
2850.0000 -210.78761 -202.06783 8.71978 2.61572 -202.73687 771.03172
2855.0000 -211.92189 -201.58276 10.33913 2.65233 -202.02342 833.07781
2860.0000 -211.83295 -203.69462 8.13833 2.57011 -203.62547 770.82268
2865.0000 -212.00067 -203.56762 8.43304 2.63203 -202.41891 792.69918
2870.0000 -212.20811 -203.65209 8.55602 2.56927 -203.64170 761.85480
2875.0000 -212.37754 -203.44465 8.93290 2.55343 -203.95031 757.27233
2880.0000 -211.97227 -202.50624 9.46603 2.61929 -202.66722 782.38652
2885.0000 -212.03056 -202.56307 9.46749 2.67697 -201.54346 831.15645
2890.0000 -212.69691 -203.77757 8.91934 2.64057 -202.25260 796.05803
2895.0000 -211.05966 -204.18960 6.87006 2.54295 -204.15465 738.49527
2900.0000 -211.88039 -203.37640 8.50399 2.56656 -203.69464 765.69101
2905.0000 -212.06130 -202.98578 9.07552 2.59396 -203.16067 769.93375
2910.0000 -211.04591 -202.15484 8.89108 2.66511 -201.77451 830.84236
2915.0000 -214.02436 -204.62626 9.39810 2.60432 -202.95896 803.51329
2920.0000 -213.13327 -207.13652 5.99674 2.48738 -205.23725 732.42731
2925.0000 -212.17745 -204.76653 7.41093 2.46118 -205.74782 701.56130
2930.0000 -212.80936 -203.99172 8.81763 2.54329 -204.14798 733.90604
2935.0000 -211.44820 -203.22586 8.22234 2.59134 -203.21185 775.48738
2940.0000 -211.58518 -202.54371 9.04147 2.59398 -203.16041 785.19919
2945.0000 -210.27842 -201.29708 8.98134 2.67349 -201.61124 834.19802
2950.0000 -212.44984 -201.62947 10.82038 2.67857 -201.51215 832.75024
2955.0000 -210.73821 -201.68184 9.05637 2.64682 -202.13080 815.87110
2960.0000 -208.50160 -200.69018 7.81142 2.74708 -200.17751 854.81326
2965.0000 -210.70746 -202.33772 8.36974 2.62855 -202.48677 809.31625
2970.0000 -211.38132 -201.09550 10.28582 2.68553 -201.37654 859.10650
2975.0000 -208.98091 -199.69160 9.28930 2.74513 -200.21534 880.27047
2980.0000 -210.57016 -201.40399 9.16618 2.73655 -200.38256 876.22462
2985.0000 -211.72107 -202.08422 9.63685 2.64651 -202.13684 830.58483
2990.0000 -209.10428 -201.37517 7.72911 2.67123 -201.65519 842.88398
2995.0000 -208.02282 -198.21252 9.81030 2.76982 -199.73447 908.74047
3000.0000 -211.37468 -201.31902 10.05566 2.76454 -199.83729 894.91168
FREEZING PROCESS: loop number 13 T-loop= 799.00000000000000
main_MD> interactions number 13 at Temperature= 799.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -8.73424 1.78320 5.98774
force_rgl> df(natom) -0.63493 -0.94847 3.37591
3005.0000 -211.90511 -203.47276 8.43235 2.64813 -202.10534 841.19100
3010.0000 -211.78447 -203.04935 8.73512 2.57878 -203.45657 775.24118
3015.0000 -210.78271 -202.34340 8.43932 2.61618 -202.72785 804.58106
3020.0000 -212.05463 -201.88871 10.16592 2.63429 -202.37504 822.92534
3025.0000 -211.10556 -200.71765 10.38791 2.68749 -201.33841 829.36461
3030.0000 -211.50726 -201.89164 9.61561 2.70860 -200.92711 860.62296
3035.0000 -212.60425 -204.76909 7.83516 2.60809 -202.88545 793.44000
3040.0000 -210.04639 -201.60351 8.44289 2.63747 -202.31293 809.92243
3045.0000 -209.21030 -199.73739 9.47291 2.70316 -201.03323 860.86158
3050.0000 -210.89043 -200.47729 10.41314 2.70989 -200.90210 886.12120
3055.0000 -210.61657 -201.95870 8.65787 2.71554 -200.79185 858.16071
3060.0000 -212.15390 -203.52126 8.63264 2.56283 -203.76735 750.07012
3065.0000 -213.14952 -205.09060 8.05891 2.55553 -203.90949 766.98977
3070.0000 -210.70145 -202.07043 8.63101 2.60081 -203.02720 798.56517
3075.0000 -211.06960 -202.67132 8.39828 2.64060 -202.25210 806.93596
3080.0000 -211.51254 -201.79648 9.71606 2.65035 -202.06214 818.76252
3085.0000 -211.68055 -202.77148 8.90908 2.65850 -201.90325 824.29012
3090.0000 -212.71979 -202.97475 9.74504 2.60178 -203.00830 795.02907
3095.0000 -212.11221 -201.99902 10.11320 2.64274 -202.21038 818.95155
3100.0000 -210.70689 -202.33356 8.37333 2.65905 -201.89257 817.20313
3105.0000 -214.08937 -205.42917 8.66020 2.53895 -204.23250 753.55408
3110.0000 -211.60583 -203.74495 7.86088 2.50511 -204.89176 716.30255
3115.0000 -212.64692 -204.74400 7.90292 2.57871 -203.45788 752.05190
3120.0000 -212.91808 -203.48854 9.42955 2.55084 -204.00092 764.83009
3125.0000 -211.80671 -202.61475 9.19196 2.58297 -203.37493 792.49193
3130.0000 -211.89244 -203.73172 8.16073 2.56474 -203.73005 792.01861
3135.0000 -212.15532 -203.46428 8.69104 2.56691 -203.68775 762.59508
3140.0000 -210.97382 -201.99519 8.97863 2.59747 -203.09244 768.54881
3145.0000 -211.92569 -201.32582 10.59987 2.76241 -199.87878 874.00453
3150.0000 -211.24020 -202.63871 8.60149 2.60896 -202.86840 808.96558
3155.0000 -210.76864 -199.65341 11.11523 2.69737 -201.14587 855.28727
3160.0000 -212.93968 -202.54168 10.39799 2.68434 -201.39991 875.14547
3165.0000 -212.32965 -204.33676 7.99288 2.56432 -203.73820 774.18061
3170.0000 -213.72377 -205.54317 8.18060 2.48219 -205.33836 712.16433
3175.0000 -210.90934 -202.74748 8.16186 2.51485 -204.70198 745.36196
3180.0000 -212.43781 -204.20969 8.22813 2.59906 -203.06130 801.88980
3185.0000 -211.98394 -202.03598 9.94796 2.62336 -202.58793 815.75915
3190.0000 -211.78418 -202.65037 9.13381 2.67162 -201.64756 844.18810
3195.0000 -212.52356 -204.85837 7.66518 2.58313 -203.37177 797.18811
3200.0000 -211.97602 -201.83643 10.13960 2.54128 -204.18704 794.94167
3205.0000 -211.60153 -202.27078 9.33075 2.63037 -202.45126 831.31782
3210.0000 -211.52764 -201.46920 10.05844 2.68327 -201.42058 831.40233
3215.0000 -210.62799 -202.87507 7.75292 2.65704 -201.93176 817.19501
3220.0000 -212.94075 -203.42388 9.51687 2.56909 -203.64520 778.41344
3225.0000 -213.81566 -204.44663 9.36903 2.60963 -202.85538 801.97428
3230.0000 -210.38987 -201.01009 9.37978 2.61289 -202.79184 793.27070
3235.0000 -210.64282 -201.43777 9.20506 2.69457 -201.20044 862.00088
3240.0000 -210.18608 -201.99990 8.18618 2.66790 -201.72022 844.08163
3245.0000 -211.90043 -203.94113 7.95929 2.62611 -202.53430 802.84822
3250.0000 -211.93442 -202.94198 8.99244 2.56214 -203.78074 763.76904
FREEZING PROCESS: loop number 14 T-loop= 774.00000000000000
main_MD> interactions number 14 at Temperature= 774.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83410 0.19195 2.04235
force_rgl> df(natom) 0.40244 2.86378 0.01340
3255.0000 -212.97775 -204.91702 8.06073 2.51281 -204.74185 725.70240
3260.0000 -210.86216 -201.70229 9.15988 2.59363 -203.16708 779.67832
3265.0000 -211.99924 -202.88541 9.11384 2.62714 -202.51436 789.90311
3270.0000 -213.00269 -205.05299 7.94970 2.50957 -204.80488 724.03387
3275.0000 -211.43132 -202.93221 8.49911 2.52094 -204.58348 715.90246
3280.0000 -210.40161 -202.73577 7.66585 2.59006 -203.23667 772.19457
3285.0000 -210.02449 -201.87549 8.14899 2.67603 -201.56165 837.97073
3290.0000 -212.17105 -204.59174 7.57931 2.53525 -204.30459 743.03445
3295.0000 -212.23410 -204.27663 7.95747 2.51085 -204.78010 728.20515
3300.0000 -213.42363 -206.27824 7.14539 2.53278 -204.35280 763.12775
3305.0000 -214.43155 -206.42226 8.00929 2.41305 -206.68544 696.72660
3310.0000 -212.57592 -205.16387 7.41205 2.45742 -205.82106 700.03174
3315.0000 -213.06477 -204.59931 8.46546 2.49934 -205.00431 735.21595
3320.0000 -212.54262 -204.42965 8.11297 2.52438 -204.51644 755.25578
3325.0000 -211.62063 -203.32950 8.29113 2.59703 -203.10091 797.19644
3330.0000 -212.06210 -203.93793 8.12417 2.53399 -204.32918 747.44065
3335.0000 -210.35413 -201.77316 8.58098 2.58661 -203.30395 804.01473
3340.0000 -212.92422 -204.87499 8.04923 2.60874 -202.87286 798.40782
3345.0000 -212.46250 -204.75172 7.71078 2.48497 -205.28430 731.38890
3350.0000 -211.31142 -202.74662 8.56480 2.56620 -203.70160 755.48893
3355.0000 -210.06494 -201.36863 8.69630 2.64065 -202.25099 789.75535
3360.0000 -211.38474 -202.07233 9.31240 2.67875 -201.50875 829.47645
3365.0000 -211.66283 -202.58678 9.07605 2.59198 -203.19932 780.08539
3370.0000 -210.54027 -202.24654 8.29373 2.62068 -202.64015 781.35291
3375.0000 -212.43367 -203.06545 9.36822 2.61774 -202.69739 802.79731
3380.0000 -212.41757 -203.78844 8.62913 2.54663 -204.08292 746.04800
3385.0000 -212.55307 -203.65476 8.89831 2.55622 -203.89605 769.85699
3390.0000 -212.15914 -203.10529 9.05385 2.56521 -203.72085 765.90271
3395.0000 -211.82973 -203.19939 8.63033 2.61274 -202.79492 815.01543
3400.0000 -212.05073 -203.19983 8.85090 2.62062 -202.64133 793.90528
3405.0000 -211.74678 -203.50996 8.23682 2.62276 -202.59969 787.33811
3410.0000 -211.98025 -203.57653 8.40372 2.55606 -203.89919 752.51592
3415.0000 -212.32446 -204.24447 8.07999 2.57087 -203.61052 772.17362
3420.0000 -211.09561 -201.69536 9.40025 2.63361 -202.38830 814.97821
3425.0000 -211.28343 -203.33660 7.94683 2.63892 -202.28483 814.39147
3430.0000 -209.61668 -200.66710 8.94958 2.62555 -202.54533 808.75064
3435.0000 -210.67470 -201.85282 8.82188 2.69334 -201.22440 829.30763
3440.0000 -210.55934 -201.99082 8.56852 2.66280 -201.81959 835.23122
3445.0000 -212.87281 -202.64009 10.23272 2.62078 -202.63810 803.93367
3450.0000 -212.71444 -203.81812 8.89632 2.57056 -203.61662 768.74099
3455.0000 -211.21583 -202.35841 8.85743 2.61495 -202.75184 800.94079
3460.0000 -211.70118 -204.04013 7.66105 2.59656 -203.11004 804.17859
3465.0000 -211.55351 -203.25738 8.29613 2.57420 -203.54566 785.22438
3470.0000 -211.73310 -203.01664 8.71646 2.61725 -202.70704 781.82688
3475.0000 -212.92984 -205.29488 7.63495 2.51679 -204.66433 741.23323
3480.0000 -212.26641 -203.40925 8.85716 2.53689 -204.27270 760.15627
3485.0000 -210.90555 -201.43817 9.46738 2.60080 -203.02738 804.47760
3490.0000 -211.05973 -203.04574 8.01399 2.64917 -202.08501 823.78863
3495.0000 -212.62195 -204.46492 8.15703 2.57517 -203.52687 780.07357
3500.0000 -212.86080 -204.94724 7.91356 2.46341 -205.70431 721.77681
FREEZING PROCESS: loop number 15 T-loop= 749.00000000000000
main_MD> interactions number 15 at Temperature= 749.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86113 -2.50406 -2.53992
force_rgl> df(natom) 0.00658 -3.64833 -3.70282
3505.0000 -213.17547 -204.15966 9.01581 2.50694 -204.85624 721.40270
3510.0000 -212.70594 -205.44997 7.25597 2.54906 -204.03559 758.45147
3515.0000 -212.92588 -204.69832 8.22755 2.52749 -204.45580 741.77412
3520.0000 -211.43687 -203.33222 8.10465 2.53480 -204.31334 745.11609
3525.0000 -212.74991 -205.37423 7.37568 2.51126 -204.77194 736.51522
3530.0000 -213.98205 -206.13420 7.84785 2.45442 -205.87936 697.00780
3535.0000 -213.01197 -206.74051 6.27145 2.41651 -206.61798 683.99498
3540.0000 -211.65376 -203.77337 7.88040 2.51042 -204.78836 724.72946
3545.0000 -211.89609 -203.31110 8.58499 2.62645 -202.52768 784.12023
3550.0000 -212.97590 -204.77853 8.19736 2.54134 -204.18595 742.00838
3555.0000 -212.57785 -202.96856 9.60929 2.52793 -204.44719 753.87224
3560.0000 -212.37024 -204.10609 8.26415 2.54831 -204.05008 737.11863
3565.0000 -212.86507 -205.35922 7.50585 2.52570 -204.49058 722.17051
3570.0000 -212.38763 -203.93687 8.45076 2.53832 -204.24486 745.61031
3575.0000 -213.19104 -205.38365 7.80738 2.50949 -204.80642 739.40941
3580.0000 -214.68716 -205.34370 9.34346 2.47537 -205.47124 713.15837
3585.0000 -212.36666 -203.80397 8.56269 2.52241 -204.55479 730.06209
3590.0000 -212.66987 -204.90539 7.76448 2.51371 -204.72437 739.15642
3595.0000 -210.74887 -202.16159 8.58728 2.58334 -203.36765 773.23981
3600.0000 -212.89306 -204.51564 8.37743 2.56101 -203.80276 778.88904
3605.0000 -213.03445 -204.67991 8.35454 2.50074 -204.97693 735.52325
3610.0000 -212.86090 -204.68303 8.17787 2.55828 -203.85600 788.36123
3615.0000 -213.37282 -205.97610 7.39672 2.48016 -205.37802 731.77219
3620.0000 -211.91669 -204.33879 7.57790 2.50279 -204.93697 725.97428
3625.0000 -214.54187 -206.29279 8.24908 2.47685 -205.44247 696.53797
3630.0000 -214.27261 -206.38599 7.88662 2.39461 -207.04471 654.07002
3635.0000 -213.28084 -205.59709 7.68375 2.43360 -206.28514 684.16738
3640.0000 -211.97049 -204.24614 7.72435 2.50682 -204.85846 733.23900
3645.0000 -212.18303 -203.52134 8.66169 2.53609 -204.28820 729.05199
3650.0000 -210.75046 -203.41280 7.33766 2.58836 -203.26987 763.95558
3655.0000 -212.29912 -204.00520 8.29392 2.55797 -203.86189 740.68695
3660.0000 -213.10128 -204.00976 9.09152 2.49375 -205.11315 716.52722
3665.0000 -212.26650 -203.70870 8.55780 2.58648 -203.30649 797.00065
3670.0000 -214.13520 -205.41118 8.72402 2.52250 -204.55297 747.58007
3675.0000 -210.17234 -202.24885 7.92349 2.59853 -203.07163 766.24756
3680.0000 -211.97641 -202.36634 9.61007 2.63524 -202.35648 803.32829
3685.0000 -213.41119 -203.06435 10.34683 2.59007 -203.23645 790.09737
3690.0000 -212.80033 -204.02928 8.77105 2.58215 -203.39087 778.36027
3695.0000 -210.69897 -202.72415 7.97483 2.61511 -202.74873 806.24011
3700.0000 -213.23790 -205.53492 7.70297 2.56665 -203.69275 759.89152
3705.0000 -211.46629 -202.81315 8.65314 2.53064 -204.39433 762.11618
3710.0000 -210.17323 -201.89884 8.27438 2.62100 -202.63397 792.48880
3715.0000 -210.70919 -202.88528 7.82390 2.63310 -202.39821 803.49231
3720.0000 -210.88856 -203.27761 7.61095 2.60610 -202.92413 784.41588
3725.0000 -211.57001 -204.39220 7.17782 2.54097 -204.19309 776.98706
3730.0000 -213.16616 -204.16618 8.99997 2.55129 -203.99206 776.47840
3735.0000 -212.84133 -205.24848 7.59286 2.47102 -205.55608 740.20147
3740.0000 -212.48869 -203.82022 8.66848 2.52405 -204.52278 756.25856
3745.0000 -212.88316 -204.75465 8.12851 2.50457 -204.90228 737.13777
3750.0000 -211.73674 -203.53475 8.20199 2.57691 -203.49284 787.79764
FREEZING PROCESS: loop number 16 T-loop= 724.00000000000000
main_MD> interactions number 16 at Temperature= 724.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22362 -3.87894 1.30100
force_rgl> df(natom) 0.89090 -1.96270 -1.85807
3755.0000 -214.58141 -206.43920 8.14221 2.49209 -205.14550 730.52595
3760.0000 -213.07340 -206.80387 6.26953 2.44410 -206.08052 706.88711
3765.0000 -213.24896 -205.97472 7.27424 2.46874 -205.60053 699.28328
3770.0000 -214.46822 -206.82676 7.64146 2.40981 -206.74852 644.74119
3775.0000 -213.40771 -204.66756 8.74015 2.45331 -205.90108 710.42344
3780.0000 -212.72995 -205.19379 7.53615 2.49664 -205.05695 726.28543
3785.0000 -211.56620 -203.58945 7.97675 2.50424 -204.90884 705.31256
3790.0000 -211.76581 -204.82513 6.94068 2.58000 -203.43282 764.30577
3795.0000 -212.70082 -205.30052 7.40030 2.48145 -205.35272 705.73291
3800.0000 -212.68827 -204.40168 8.28659 2.50527 -204.88877 730.47283
3805.0000 -212.64829 -203.98279 8.66550 2.54271 -204.15922 744.52454
3810.0000 -212.10175 -204.25669 7.84506 2.55511 -203.91769 766.86994
3815.0000 -211.34330 -201.36389 9.97941 2.61939 -202.66535 783.53599
3820.0000 -212.11397 -204.26400 7.84997 2.56762 -203.67399 758.98424
3825.0000 -212.10389 -203.31433 8.78956 2.59338 -203.17211 776.13728
3830.0000 -214.19215 -205.56740 8.62475 2.52143 -204.57394 728.77528
3835.0000 -214.36634 -207.01457 7.35177 2.43154 -206.32525 666.48682
3840.0000 -214.83171 -206.75420 8.07751 2.45233 -205.92017 691.40701
3845.0000 -212.71108 -206.31327 6.39782 2.40824 -206.77918 678.34027
3850.0000 -214.49119 -206.48883 8.00235 2.45706 -205.82807 672.16694
3855.0000 -214.14004 -206.24392 7.89612 2.43195 -206.31726 684.64589
3860.0000 -212.48210 -204.60263 7.87946 2.51920 -204.61740 741.66654
3865.0000 -213.01748 -203.87943 9.13804 2.55375 -203.94410 767.85465
3870.0000 -212.97908 -205.06047 7.91861 2.50994 -204.79768 733.26842
3875.0000 -213.32819 -205.75377 7.57442 2.48033 -205.37455 699.46041
3880.0000 -212.57472 -205.42286 7.15186 2.46941 -205.58744 706.82479
3885.0000 -214.98476 -206.79196 8.19281 2.42377 -206.47654 680.11470
3890.0000 -214.18632 -206.55223 7.63409 2.38421 -207.24738 656.77669
3895.0000 -214.65772 -207.33463 7.32309 2.39021 -207.13056 646.01210
3900.0000 -213.97398 -206.10933 7.86464 2.47170 -205.54286 704.58420
3905.0000 -213.68223 -206.69062 6.99161 2.44266 -206.10849 704.76120
3910.0000 -212.02611 -203.90577 8.12034 2.47596 -205.45981 730.55923
3915.0000 -213.25473 -205.77642 7.47832 2.53299 -204.34856 761.53889
3920.0000 -212.23393 -204.63884 7.59510 2.47803 -205.41939 720.41552
3925.0000 -214.12417 -206.74510 7.37907 2.51522 -204.69482 738.11330
3930.0000 -216.10404 -208.28443 7.81961 2.34389 -208.03290 637.32221
3935.0000 -213.30022 -205.11460 8.18561 2.43129 -206.33014 691.35155
3940.0000 -212.84750 -204.57861 8.26889 2.49660 -205.05773 736.87109
3945.0000 -213.55505 -205.21439 8.34066 2.49110 -205.16475 698.21479
3950.0000 -213.96269 -205.39461 8.56808 2.50675 -204.85997 740.22540
3955.0000 -214.10539 -206.08917 8.01622 2.44918 -205.98154 708.05682
3960.0000 -213.80613 -206.66100 7.14513 2.40762 -206.79133 640.56100
3965.0000 -213.24198 -205.46062 7.78136 2.46166 -205.73842 692.48635
3970.0000 -214.01162 -206.62632 7.38530 2.49062 -205.17424 720.10013
3975.0000 -212.38212 -204.33028 8.05184 2.48405 -205.30214 717.53087
3980.0000 -214.31108 -205.84087 8.47021 2.55133 -203.99134 737.42638
3985.0000 -213.64225 -204.74575 8.89650 2.45567 -205.85513 695.65716
3990.0000 -214.70859 -205.39503 9.31356 2.47691 -205.44121 724.04741
3995.0000 -213.89394 -206.10554 7.78841 2.44852 -205.99435 712.79941
4000.0000 -213.63181 -205.17759 8.45421 2.46265 -205.71905 704.96963
FREEZING PROCESS: loop number 17 T-loop= 699.00000000000000
main_MD> interactions number 17 at Temperature= 699.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40272 -0.97792 1.43016
force_rgl> df(natom) -3.56862 0.25526 -1.67006
4005.0000 -214.35484 -206.60308 7.75176 2.42354 -206.48118 699.79410
4010.0000 -213.92698 -206.23549 7.69149 2.43043 -206.34683 683.70383
4015.0000 -212.65965 -205.45637 7.20328 2.44905 -205.98403 672.23256
4020.0000 -214.32527 -206.19810 8.12717 2.46907 -205.59409 699.54581
4025.0000 -214.58813 -207.56168 7.02645 2.43910 -206.17792 667.36411
4030.0000 -215.30990 -207.35039 7.95951 2.35967 -207.72555 623.59327
4035.0000 -214.13056 -206.88707 7.24350 2.40619 -206.81910 662.60576
4040.0000 -213.03035 -206.45225 6.57810 2.44097 -206.14142 680.17001
4045.0000 -214.83056 -207.52931 7.30125 2.40360 -206.86970 673.82689
4050.0000 -215.35409 -207.28733 8.06677 2.39532 -207.03093 678.90317
4055.0000 -215.26522 -207.64096 7.62426 2.36355 -207.64986 656.89180
4060.0000 -214.09079 -206.32737 7.76342 2.35434 -207.82930 648.76162
4065.0000 -213.38012 -206.34166 7.03846 2.42672 -206.41917 674.53242
4070.0000 -213.01817 -204.85924 8.15892 2.44081 -206.14462 685.92908
4075.0000 -214.52937 -207.01185 7.51752 2.43202 -206.31581 702.34509
4080.0000 -215.08009 -207.83885 7.24124 2.40630 -206.81692 674.38801
4085.0000 -213.52763 -206.42159 7.10604 2.36574 -207.60717 649.62460
4090.0000 -215.25542 -206.80279 8.45263 2.40791 -206.78562 642.01377
4095.0000 -214.22182 -206.98092 7.24091 2.39764 -206.98575 665.94161
4100.0000 -214.01917 -205.53660 8.48257 2.45639 -205.84106 694.17556
4105.0000 -213.15039 -205.26175 7.88863 2.46490 -205.67519 671.43324
4110.0000 -213.23838 -205.82945 7.40893 2.46499 -205.67354 692.75118
4115.0000 -215.17813 -207.31460 7.86353 2.41865 -206.57633 659.69075
4120.0000 -213.25278 -206.83618 6.41660 2.38660 -207.20082 653.13926
4125.0000 -213.49178 -206.21847 7.27330 2.40707 -206.80205 672.99665
4130.0000 -212.07366 -204.40580 7.66786 2.48125 -205.35668 733.68347
4135.0000 -214.34045 -206.08981 8.25064 2.47836 -205.41306 729.88927
4140.0000 -214.38830 -207.78984 6.59847 2.38274 -207.27603 652.56892
4145.0000 -214.37101 -206.90431 7.46670 2.34452 -208.02074 640.94264
4150.0000 -214.78632 -206.88943 7.89689 2.40559 -206.83080 674.14507
4155.0000 -212.51158 -204.68123 7.83035 2.45858 -205.79841 687.46332
4160.0000 -211.04236 -202.54195 8.50042 2.54022 -204.20776 746.83946
4165.0000 -212.35464 -203.67577 8.67887 2.56724 -203.68139 758.24129
4170.0000 -213.94711 -204.70197 9.24514 2.54578 -204.09938 764.80512
4175.0000 -214.07529 -206.04100 8.03429 2.48143 -205.35328 718.91423
4180.0000 -214.15805 -205.53852 8.61953 2.46342 -205.70416 693.75093
4185.0000 -213.76263 -205.07345 8.68918 2.48005 -205.38014 720.95415
4190.0000 -213.79392 -206.19971 7.59421 2.44836 -205.99753 710.03868
4195.0000 -214.11029 -206.40685 7.70344 2.38835 -207.16671 650.25306
4200.0000 -214.84463 -207.88389 6.96074 2.40428 -206.85643 662.48428
4205.0000 -211.87640 -204.75873 7.11766 2.39918 -206.95581 661.41110
4210.0000 -214.32363 -205.16160 9.16203 2.48936 -205.19865 713.49356
4215.0000 -214.15467 -205.84627 8.30840 2.44605 -206.04256 652.54785
4220.0000 -213.47991 -206.60026 6.87965 2.45087 -205.94864 672.82344
4225.0000 -214.19785 -205.97797 8.21988 2.44255 -206.11071 709.37439
4230.0000 -213.79994 -206.00086 7.79908 2.46234 -205.72514 705.87556
4235.0000 -214.85700 -207.18045 7.67655 2.40686 -206.80616 665.73736
4240.0000 -214.16640 -207.58232 6.58408 2.38320 -207.26713 634.24235
4245.0000 -213.69693 -207.09703 6.59990 2.40588 -206.82521 663.83111
4250.0000 -215.72402 -208.45972 7.26430 2.36022 -207.71477 629.60813
FREEZING PROCESS: loop number 18 T-loop= 674.00000000000000
main_MD> interactions number 18 at Temperature= 674.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07879 1.08108 -2.12449
force_rgl> df(natom) 1.14938 -0.17834 -2.09334
4255.0000 -215.67093 -208.91237 6.75857 2.34136 -208.08230 643.23124
4260.0000 -214.89491 -207.34624 7.54867 2.34988 -207.91635 642.18747
4265.0000 -214.04343 -205.59809 8.44534 2.45117 -205.94279 702.23642
4270.0000 -213.80159 -204.51791 9.28367 2.44917 -205.98182 691.38633
4275.0000 -213.21898 -206.68475 6.53424 2.47344 -205.50892 709.18006
4280.0000 -213.82149 -206.61856 7.20293 2.41161 -206.71351 659.78184
4285.0000 -214.18699 -206.76130 7.42569 2.41128 -206.71993 662.97138
4290.0000 -213.28612 -206.04708 7.23904 2.41707 -206.60723 676.25689
4295.0000 -215.96041 -208.94543 7.01498 2.35010 -207.91196 639.40811
4300.0000 -214.92629 -208.21469 6.71159 2.34162 -208.07726 639.17766
4305.0000 -214.35355 -206.79677 7.55677 2.35997 -207.71966 648.06551
4310.0000 -214.69725 -208.44553 6.25172 2.35475 -207.82144 647.87233
4315.0000 -215.51876 -208.66917 6.84959 2.32813 -208.33997 620.63343
4320.0000 -213.40080 -206.80815 6.59265 2.37657 -207.39626 654.51171
4325.0000 -215.42619 -208.35670 7.06950 2.37826 -207.36332 633.94147
4330.0000 -213.45285 -206.70075 6.75210 2.40926 -206.75933 670.34422
4335.0000 -215.69009 -207.50718 8.18292 2.37220 -207.48132 658.57478
4340.0000 -213.56236 -206.28666 7.27570 2.41181 -206.70969 692.13704
4345.0000 -214.08953 -206.67206 7.41748 2.44195 -206.12240 672.30432
4350.0000 -213.40542 -205.74078 7.66464 2.45585 -205.85150 686.43192
4355.0000 -213.33710 -205.17114 8.16596 2.46098 -205.75173 708.91320
4360.0000 -214.02775 -207.55070 6.47705 2.39414 -207.05396 664.78411
4365.0000 -213.40505 -205.89467 7.51037 2.41967 -206.55654 683.09855
4370.0000 -212.99737 -204.64657 8.35080 2.48353 -205.31227 712.40231
4375.0000 -214.35915 -206.37974 7.97941 2.48781 -205.22883 727.24817
4380.0000 -214.90432 -207.97820 6.92612 2.36478 -207.62596 650.37951
4385.0000 -214.55081 -207.69228 6.85853 2.35822 -207.75372 621.33863
4390.0000 -215.28850 -207.91680 7.37170 2.36887 -207.54630 633.56263
4395.0000 -214.97191 -207.79154 7.18037 2.33557 -208.19499 622.25740
4400.0000 -214.70661 -207.39858 7.30803 2.37764 -207.37531 654.08176
4405.0000 -215.49473 -208.37841 7.11632 2.37120 -207.50083 646.50819
4410.0000 -214.22285 -207.35265 6.87019 2.35264 -207.86253 655.09266
4415.0000 -215.38845 -206.79929 8.58916 2.37583 -207.41062 664.34438
4420.0000 -212.96995 -205.88849 7.08145 2.47790 -205.42200 707.80186
4425.0000 -213.23030 -205.73471 7.49559 2.43404 -206.27656 678.51755
4430.0000 -212.69381 -204.08494 8.60887 2.49789 -205.03255 716.99868
4435.0000 -213.15919 -206.46447 6.69472 2.44156 -206.13007 683.43121
4440.0000 -214.52996 -206.86727 7.66269 2.41608 -206.62639 693.03122
4445.0000 -214.45156 -207.39409 7.05747 2.38994 -207.13566 712.47777
4450.0000 -213.77547 -207.10956 6.66591 2.38983 -207.13782 689.78253
4455.0000 -214.65118 -205.40270 9.24849 2.45232 -205.92035 711.23086
4460.0000 -215.57345 -207.16595 8.40750 2.46163 -205.73896 712.49041
4465.0000 -215.70908 -208.79185 6.91723 2.34464 -208.01826 644.59104
4470.0000 -215.59379 -209.60998 5.98380 2.28932 -209.09619 610.20248
4475.0000 -214.27605 -206.05814 8.21791 2.37860 -207.35673 659.25027
4480.0000 -214.59920 -207.50331 7.09589 2.42207 -206.50981 662.81705
4485.0000 -213.50386 -205.53296 7.97089 2.41714 -206.60574 669.38117
4490.0000 -213.41954 -205.79756 7.62199 2.45514 -205.86546 702.37918
4495.0000 -213.13738 -204.67645 8.46093 2.46765 -205.62169 712.34688
4500.0000 -213.24148 -203.31658 9.92491 2.52722 -204.46114 731.78291
FREEZING PROCESS: loop number 19 T-loop= 649.00000000000000
main_MD> interactions number 19 at Temperature= 649.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.12195 -2.64939 -1.55213
force_rgl> df(natom) -2.10521 2.14521 5.87723
4505.0000 -212.58456 -205.78893 6.79563 2.50489 -204.89603 710.69998
4510.0000 -214.36701 -206.18542 8.18159 2.42620 -206.42925 675.00097
4515.0000 -214.43721 -206.61078 7.82643 2.43134 -206.32913 690.05500
4520.0000 -213.35407 -206.15152 7.20255 2.47437 -205.49069 714.82135
4525.0000 -214.38314 -206.99914 7.38401 2.40521 -206.83827 661.61603
4530.0000 -214.16323 -207.07505 7.08818 2.41932 -206.56336 669.82789
4535.0000 -214.80785 -208.37805 6.42980 2.38298 -207.27128 652.50741
4540.0000 -215.66104 -207.16513 8.49591 2.31539 -208.58827 627.36513
4545.0000 -215.41468 -207.93775 7.47693 2.37976 -207.33403 678.69325
4550.0000 -214.76214 -208.06393 6.69820 2.32565 -208.38837 638.58244
4555.0000 -216.68534 -209.75415 6.93118 2.29528 -208.98000 600.50280
4560.0000 -217.42159 -210.47727 6.94432 2.22699 -210.31054 558.79751
4565.0000 -214.70397 -209.09412 5.60985 2.25854 -209.69581 592.43620
4570.0000 -215.44096 -209.25488 6.18608 2.31238 -208.64679 598.42492
4575.0000 -216.24192 -210.06346 6.17846 2.25130 -209.83693 566.94988
4580.0000 -217.04426 -210.38136 6.66291 2.21140 -210.61428 552.37553
4585.0000 -214.87822 -208.02525 6.85297 2.28816 -209.11871 599.03654
4590.0000 -214.62980 -206.95623 7.67357 2.31971 -208.50403 605.07125
4595.0000 -214.88643 -207.76958 7.11685 2.35293 -207.85678 637.67497
4600.0000 -214.46674 -206.59176 7.87498 2.39359 -207.06468 653.36777
4605.0000 -213.98734 -206.46929 7.51805 2.39099 -207.11532 648.34011
4610.0000 -214.41575 -207.94459 6.47116 2.37415 -207.44342 643.41505
4615.0000 -215.50741 -209.24772 6.25969 2.31868 -208.52419 584.50236
4620.0000 -215.12561 -208.67038 6.45522 2.29895 -208.90849 584.31742
4625.0000 -214.61148 -207.50340 7.10808 2.40115 -206.91727 673.06880
4630.0000 -213.92639 -207.31008 6.61631 2.40309 -206.87959 678.57582
4635.0000 -213.93006 -205.24396 8.68611 2.43191 -206.31806 683.37401
4640.0000 -214.26473 -205.97617 8.28856 2.50791 -204.83723 705.50205
4645.0000 -213.58664 -207.29366 6.29298 2.43896 -206.18059 667.77175
4650.0000 -215.53569 -209.17644 6.35925 2.32054 -208.48787 610.44911
4655.0000 -215.32980 -207.67493 7.65487 2.32906 -208.32192 632.67736
4660.0000 -214.18303 -208.01669 6.16634 2.34493 -208.01274 609.38846
4665.0000 -215.23196 -207.64490 7.58706 2.37443 -207.43796 632.75753
4670.0000 -213.95308 -206.39888 7.55420 2.40700 -206.80344 657.30118
4675.0000 -215.06960 -207.83709 7.23251 2.41745 -206.59971 672.52524
4680.0000 -213.60606 -206.49478 7.11129 2.37688 -207.39024 658.28915
4685.0000 -212.73458 -205.58269 7.15188 2.41735 -206.60172 672.20053
4690.0000 -214.53775 -206.45140 8.08634 2.47904 -205.39978 730.17821
4695.0000 -215.34874 -208.12261 7.22613 2.36534 -207.61502 654.73568
4700.0000 -215.21148 -208.10545 7.10603 2.36294 -207.66178 633.16332
4705.0000 -216.12290 -208.84450 7.27840 2.34578 -207.99619 628.66219
4710.0000 -214.90817 -208.07906 6.82910 2.35974 -207.72421 648.90978
4715.0000 -214.75299 -206.84966 7.90332 2.40842 -206.77570 670.03165
4720.0000 -214.10411 -207.98449 6.11962 2.39626 -207.01269 669.47415
4725.0000 -215.87221 -210.29962 5.57258 2.29940 -208.89970 610.64418
4730.0000 -216.68598 -210.47197 6.21402 2.20328 -210.77246 564.74996
4735.0000 -216.74453 -209.61557 7.12896 2.23009 -210.25025 586.00801
4740.0000 -213.74169 -207.28471 6.45698 2.31203 -208.65366 624.28363
4745.0000 -215.35026 -209.04568 6.30458 2.32528 -208.39547 633.14616
4750.0000 -214.64787 -208.10214 6.54573 2.31570 -208.58212 614.90002
FREEZING PROCESS: loop number 20 T-loop= 624.00000000000000
main_MD> interactions number 20 at Temperature= 624.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00177 -0.12477 -4.02333
force_rgl> df(natom) -1.04233 1.18455 -1.07498
4755.0000 -215.35802 -208.49068 6.86734 2.32629 -208.37581 646.67103
4760.0000 -216.83177 -209.45841 7.37336 2.31023 -208.68874 633.86805
4765.0000 -216.71557 -209.98838 6.72719 2.22015 -210.44393 555.95400
4770.0000 -215.46830 -208.40429 7.06402 2.28297 -209.21998 623.26798
4775.0000 -215.63079 -207.90253 7.72826 2.33910 -208.12622 640.21395
4780.0000 -215.48972 -208.02374 7.46598 2.33471 -208.21177 651.12995
4785.0000 -214.47603 -208.82793 5.64810 2.33638 -208.17933 618.32259
4790.0000 -214.89148 -208.05798 6.83350 2.31539 -208.58821 609.87006
4795.0000 -215.48715 -208.80312 6.68403 2.31958 -208.50665 616.35644
4800.0000 -215.74950 -208.26929 7.48021 2.29872 -208.91303 597.07688
4805.0000 -214.89294 -208.35760 6.53534 2.32894 -208.32419 614.87237
4810.0000 -214.87062 -207.03695 7.83367 2.35806 -207.75684 636.98067
4815.0000 -214.85338 -207.68509 7.16829 2.36951 -207.53374 651.96788
4820.0000 -215.05631 -208.52605 6.53027 2.33471 -208.21185 628.94377
4825.0000 -213.67686 -206.82883 6.84803 2.33618 -208.18324 612.11565
4830.0000 -214.98891 -207.71808 7.27083 2.36600 -207.60216 635.88927
4835.0000 -214.27457 -208.12627 6.14830 2.39530 -207.03139 655.78795
4840.0000 -214.69124 -207.85238 6.83886 2.33284 -208.24821 616.18644
4845.0000 -215.91153 -209.05487 6.85666 2.28967 -209.08932 618.49557
4850.0000 -216.78875 -209.64445 7.14430 2.24520 -209.95580 584.40683
4855.0000 -215.48747 -208.66817 6.81930 2.25593 -209.74664 598.65050
4860.0000 -215.25635 -208.48989 6.76647 2.34227 -208.06447 643.96581
4865.0000 -216.58630 -209.74189 6.84441 2.28837 -209.11476 628.43718
4870.0000 -216.48162 -208.76175 7.71986 2.27227 -209.42845 610.08914
4875.0000 -215.69945 -209.01182 6.68764 2.28738 -209.13396 596.36156
4880.0000 -215.47100 -210.26819 5.20281 2.25370 -209.79008 562.47037
4885.0000 -216.20103 -208.97298 7.22806 2.28152 -209.24813 596.34461
4890.0000 -215.60965 -209.41898 6.19067 2.31602 -208.57605 619.18205
4895.0000 -216.16163 -210.00113 6.16050 2.28608 -209.15925 597.07092
4900.0000 -215.70095 -209.42634 6.27461 2.23431 -210.16805 572.67681
4905.0000 -216.07188 -208.98259 7.08929 2.29383 -209.00830 616.55237
4910.0000 -216.26663 -208.46939 7.79724 2.26554 -209.55947 593.87263
4915.0000 -216.91415 -210.93561 5.97854 2.25875 -209.69182 585.21384
4920.0000 -215.08329 -207.93846 7.14483 2.23350 -210.18370 559.48117
4925.0000 -215.19585 -208.19954 6.99631 2.34592 -207.99337 616.50697
4930.0000 -215.58129 -207.81825 7.76304 2.33527 -208.20082 638.24132
4935.0000 -214.81262 -208.32084 6.49179 2.35496 -207.81727 652.49872
4940.0000 -216.05099 -209.02599 7.02500 2.30481 -208.79428 601.36266
4945.0000 -214.96600 -207.53011 7.43589 2.31236 -208.64732 626.55114
4950.0000 -214.65219 -207.27997 7.37223 2.35357 -207.84428 657.33724
4955.0000 -214.24437 -206.29506 7.94931 2.42667 -206.42011 675.20333
4960.0000 -215.22706 -207.95082 7.27624 2.36960 -207.53205 643.74685
4965.0000 -214.26082 -206.67799 7.58283 2.38452 -207.24135 639.15031
4970.0000 -213.94954 -206.98576 6.96378 2.43700 -206.21882 664.69232
4975.0000 -215.12305 -206.99971 8.12334 2.40216 -206.89761 635.96415
4980.0000 -216.18053 -208.88179 7.29874 2.36137 -207.69233 653.49727
4985.0000 -215.47147 -209.18772 6.28375 2.29193 -209.04529 610.77714
4990.0000 -215.74741 -209.08441 6.66300 2.30165 -208.85593 610.36724
4995.0000 -216.08427 -210.07085 6.01341 2.26031 -209.66140 588.98736
5000.0000 -216.13777 -209.03563 7.10214 2.25641 -209.73735 587.33091
FREEZING PROCESS: loop number 21 T-loop= 599.00000000000000
main_MD> interactions number 21 at Temperature= 599.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.86266 0.33244 -3.27090
force_rgl> df(natom) -1.05700 -1.00566 2.31233
5005.0000 -214.00718 -206.85909 7.14810 2.34846 -207.94396 640.22409
5010.0000 -215.28368 -208.89669 6.38698 2.33165 -208.27134 625.59810
5015.0000 -215.38290 -208.72696 6.65595 2.31767 -208.54385 630.63391
5020.0000 -215.20263 -208.68407 6.51856 2.32192 -208.46092 636.43122
5025.0000 -215.42106 -209.44474 5.97632 2.28465 -209.18723 607.96832
5030.0000 -216.27251 -209.62302 6.64949 2.25348 -209.79449 607.26061
5035.0000 -214.97028 -208.06746 6.90282 2.28863 -209.10969 619.72464
5040.0000 -215.24447 -207.88316 7.36132 2.35993 -207.72053 665.29894
5045.0000 -215.07632 -209.29028 5.78603 2.34463 -208.01855 638.37576
5050.0000 -216.43491 -208.33246 8.10245 2.32666 -208.36859 592.24922
5055.0000 -216.61939 -210.17250 6.44689 2.24495 -209.96061 611.34914
5060.0000 -216.15319 -209.89695 6.25625 2.26549 -209.56049 618.11737
5065.0000 -217.05868 -210.66255 6.39614 2.22363 -210.37612 580.09761
5070.0000 -216.38990 -210.17262 6.21728 2.22984 -210.25497 569.08534
5075.0000 -216.55651 -209.68599 6.87051 2.25210 -209.82130 566.85567
5080.0000 -215.41491 -208.90996 6.50495 2.25381 -209.78812 561.94354
5085.0000 -215.22835 -209.54485 5.68349 2.28727 -209.13619 593.30485
5090.0000 -216.07256 -209.74735 6.32520 2.25935 -209.68010 582.12434
5095.0000 -215.57015 -208.32371 7.24644 2.29351 -209.01456 611.44813
5100.0000 -216.41292 -211.02348 5.38944 2.28616 -209.15783 597.80234
5105.0000 -217.43154 -211.28017 6.15137 2.18701 -211.08945 546.07911
5110.0000 -215.74790 -209.15274 6.59516 2.25977 -209.67189 611.66513
5115.0000 -215.65990 -209.05885 6.60105 2.26866 -209.49863 615.34576
5120.0000 -216.92192 -209.87131 7.05061 2.23968 -210.06324 601.79856
5125.0000 -216.47796 -209.75143 6.72652 2.25656 -209.73454 600.44648
5130.0000 -216.53936 -209.59001 6.94935 2.26753 -209.52079 597.90439
5135.0000 -214.80720 -208.99454 5.81266 2.27125 -209.44833 586.75359
5140.0000 -215.33133 -209.93151 5.39982 2.26925 -209.48719 568.35799
5145.0000 -215.42400 -208.67871 6.74530 2.29395 -209.00600 588.21906
5150.0000 -216.14632 -210.38667 5.75965 2.30962 -208.70060 596.59552
5155.0000 -215.32434 -209.65538 5.66895 2.22485 -210.35217 522.36377
5160.0000 -215.54067 -208.86330 6.67738 2.29504 -208.98467 587.39685
5165.0000 -216.84674 -209.39802 7.44871 2.29477 -208.99006 616.74842
5170.0000 -215.74872 -209.99417 5.75455 2.27889 -209.29947 597.70093
5175.0000 -216.60368 -210.02961 6.57407 2.25108 -209.84121 592.23014
5180.0000 -216.93001 -210.57031 6.35970 2.23039 -210.24426 586.25527
5185.0000 -216.66228 -209.71773 6.94455 2.22152 -210.41721 581.87148
5190.0000 -215.50024 -208.10321 7.39703 2.27924 -209.29257 596.63399
5195.0000 -215.47543 -209.38363 6.09180 2.27691 -209.33795 574.28302
5200.0000 -215.89475 -209.85915 6.03560 2.31287 -208.63733 598.00669
5205.0000 -216.42444 -209.61978 6.80466 2.26876 -209.49681 589.18968
5210.0000 -215.89124 -208.72150 7.16974 2.27996 -209.27852 599.85196
5215.0000 -216.22967 -209.60596 6.62371 2.27381 -209.39834 585.77105
5220.0000 -216.91115 -209.79777 7.11338 2.24874 -209.88681 577.86163
5225.0000 -216.08674 -208.82473 7.26201 2.27253 -209.42320 598.23430
5230.0000 -216.60927 -209.91583 6.69344 2.27326 -209.40915 613.83762
5235.0000 -215.93027 -209.71047 6.21980 2.22785 -210.29388 594.15885
5240.0000 -216.77805 -208.68845 8.08959 2.28052 -209.26771 597.56076
5245.0000 -215.13127 -208.30250 6.82877 2.32473 -208.40635 631.40399
5250.0000 -216.73591 -209.43037 7.30555 2.29175 -209.04875 590.95774
FREEZING PROCESS: loop number 22 T-loop= 574.00000000000000
main_MD> interactions number 22 at Temperature= 574.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.00372 -1.48687 -2.56864
force_rgl> df(natom) -0.50271 0.96417 0.30589
5255.0000 -215.57479 -209.60482 5.96996 2.28817 -209.11865 585.95176
5260.0000 -216.24356 -210.65547 5.58808 2.25673 -209.73110 562.50884
5265.0000 -215.49576 -209.87703 5.61873 2.23715 -210.11254 534.91641
5270.0000 -215.98461 -210.53397 5.45064 2.24137 -210.03036 548.37357
5275.0000 -216.30641 -209.26507 7.04133 2.23998 -210.05743 596.78366
5280.0000 -217.74447 -211.50532 6.23915 2.18821 -211.06622 568.97709
5285.0000 -218.02231 -211.16057 6.86174 2.16946 -211.43150 555.03173
5290.0000 -217.03648 -211.21404 5.82244 2.17840 -211.25724 550.41073
5295.0000 -216.03805 -210.93042 5.10764 2.19606 -210.91328 557.15473
5300.0000 -216.49626 -209.59645 6.89982 2.22305 -210.38729 553.35058
5305.0000 -215.64408 -208.41951 7.22457 2.31012 -208.69091 631.16809
5310.0000 -215.37628 -209.63851 5.73777 2.27087 -209.45566 583.67162
5315.0000 -216.57902 -211.89528 4.68374 2.20897 -210.66160 528.71536
5320.0000 -216.15329 -209.98228 6.17101 2.17375 -211.34795 521.10788
5325.0000 -215.22964 -209.00050 6.22915 2.23762 -210.10356 572.60158
5330.0000 -216.07818 -209.85809 6.22010 2.23513 -210.15191 584.77960
5335.0000 -215.85631 -209.01497 6.84134 2.25760 -209.71425 599.70723
5340.0000 -215.05702 -208.14172 6.91529 2.28084 -209.26138 594.01006
5345.0000 -216.45600 -209.86967 6.58632 2.30745 -208.74293 622.41797
5350.0000 -216.69048 -210.85403 5.83645 2.23448 -210.16466 583.54136
5355.0000 -215.65991 -209.81730 5.84260 2.23615 -210.13212 568.35543
5360.0000 -217.62215 -211.00659 6.61556 2.22763 -210.29803 563.51664
5365.0000 -215.10478 -209.28727 5.81751 2.24216 -210.01506 590.46770
5370.0000 -215.03365 -209.44317 5.59047 2.27296 -209.41494 585.33833
5375.0000 -216.06079 -209.87216 6.18862 2.26387 -209.59195 582.96435
5380.0000 -216.71570 -211.15237 5.56334 2.21207 -210.60129 556.71582
5385.0000 -215.65501 -209.97207 5.68293 2.24643 -209.93177 567.66302
5390.0000 -216.68399 -209.02649 7.65750 2.26509 -209.56819 582.02103
5395.0000 -216.35231 -209.88655 6.46577 2.27407 -209.39320 587.63970
5400.0000 -215.52992 -208.24886 7.28106 2.28829 -209.11632 607.49869
5405.0000 -215.62293 -209.38604 6.23689 2.29774 -208.93206 607.87681
5410.0000 -216.58552 -210.20116 6.38436 2.27310 -209.41218 597.86939
5415.0000 -217.05974 -210.78241 6.27733 2.20051 -210.82651 561.40939
5420.0000 -216.02783 -209.52676 6.50106 2.22771 -210.29648 566.89129
5425.0000 -215.30057 -208.34137 6.95921 2.31017 -208.68995 608.58023
5430.0000 -215.24722 -209.53335 5.71387 2.29297 -209.02511 558.57924
5435.0000 -216.42636 -210.12350 6.30286 2.26553 -209.55973 587.84163
5440.0000 -216.40668 -210.01026 6.39643 2.20016 -210.83339 562.60622
5445.0000 -216.19111 -210.58743 5.60368 2.23470 -210.16030 550.21579
5450.0000 -216.60474 -209.79256 6.81218 2.23609 -210.13329 554.30624
5455.0000 -215.67528 -208.46779 7.20748 2.31759 -208.54541 619.64266
5460.0000 -216.31235 -209.22462 7.08773 2.27000 -209.47251 604.82695
5465.0000 -215.68981 -209.11168 6.57813 2.26390 -209.59143 598.20210
5470.0000 -216.93481 -210.38245 6.55236 2.27472 -209.38060 600.41033
5475.0000 -215.29072 -208.57547 6.71525 2.28303 -209.21882 610.33989
5480.0000 -215.96572 -209.03278 6.93295 2.29748 -208.93714 610.96967
5485.0000 -215.39252 -209.27579 6.11673 2.27497 -209.37581 584.60863
5490.0000 -215.86858 -210.23324 5.63533 2.23355 -210.18274 544.78225
5495.0000 -215.28764 -208.63936 6.64828 2.26252 -209.61841 554.01182
5500.0000 -216.03819 -209.39059 6.64760 2.27892 -209.29886 569.55990
FREEZING PROCESS: loop number 23 T-loop= 549.00000000000000
main_MD> interactions number 23 at Temperature= 549.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02215 -1.13147 0.06857
force_rgl> df(natom) -1.81353 0.95461 -0.83574
5505.0000 -214.86458 -207.91232 6.95226 2.29783 -208.93042 595.47773
5510.0000 -216.47982 -210.12068 6.35914 2.30571 -208.77679 615.65816
5515.0000 -216.30425 -209.97241 6.33184 2.24854 -209.89067 563.05774
5520.0000 -215.82782 -209.41551 6.41232 2.28086 -209.26091 580.77123
5525.0000 -215.78745 -209.99945 5.78800 2.28011 -209.27556 568.42038
5530.0000 -216.91339 -210.85144 6.06195 2.20386 -210.76130 520.72199
5535.0000 -216.17628 -210.65250 5.52378 2.22541 -210.34136 549.89711
5540.0000 -217.28180 -211.67538 5.60642 2.20305 -210.77694 536.59737
5545.0000 -218.49425 -212.96512 5.52914 2.14117 -211.98261 503.65068
5550.0000 -218.04920 -212.10690 5.94230 2.12907 -212.21846 504.89581
5555.0000 -216.59061 -210.02241 6.56820 2.19697 -210.89545 549.86581
5560.0000 -215.76306 -209.15511 6.60795 2.28161 -209.24643 598.33618
5565.0000 -216.70864 -210.97540 5.73325 2.24167 -210.02449 559.77399
5570.0000 -216.37745 -210.28648 6.09097 2.23113 -210.23001 550.89622
5575.0000 -216.65122 -210.47467 6.17656 2.25990 -209.66933 581.47328
5580.0000 -217.28937 -211.36981 5.91956 2.20943 -210.65261 553.52947
5585.0000 -218.15433 -212.15153 6.00280 2.16413 -211.53536 551.56848
5590.0000 -216.86047 -211.38906 5.47141 2.14371 -211.93313 526.87972
5595.0000 -216.70527 -211.29904 5.40623 2.18948 -211.04141 550.39893
5600.0000 -217.45912 -212.06203 5.39709 2.19063 -211.01892 556.86445
5605.0000 -217.86029 -212.28844 5.57185 2.13829 -212.03870 521.35986
5610.0000 -218.93151 -212.55464 6.37687 2.12399 -212.31731 516.66223
5615.0000 -218.02046 -212.35470 5.66576 2.13102 -212.18049 521.89121
5620.0000 -218.09166 -212.19395 5.89771 2.13484 -212.10596 524.44374
5625.0000 -217.14755 -211.61582 5.53173 2.12138 -212.36829 495.49569
5630.0000 -216.55175 -210.10934 6.44241 2.20029 -210.83076 544.69157
5635.0000 -216.66717 -211.10316 5.56401 2.21218 -210.59905 542.83886
5640.0000 -217.37258 -210.68991 6.68268 2.19442 -210.94517 514.22311
5645.0000 -215.95930 -209.22420 6.73510 2.22477 -210.35387 550.37460
5650.0000 -215.23753 -209.27202 5.96551 2.28054 -209.26732 601.48791
5655.0000 -216.50521 -210.27582 6.22939 2.24199 -210.01824 569.94257
5660.0000 -217.06001 -211.36100 5.69901 2.20302 -210.77761 537.10979
5665.0000 -216.12177 -210.02635 6.09543 2.18224 -211.18241 528.61620
5670.0000 -216.49901 -211.01612 5.48289 2.24116 -210.03449 561.21070
5675.0000 -215.10753 -209.08798 6.01956 2.26723 -209.52661 583.82699
5680.0000 -216.94145 -209.68654 7.25491 2.25749 -209.71629 586.25728
5685.0000 -216.91669 -210.27918 6.63751 2.22865 -210.27831 563.17930
5690.0000 -216.48621 -209.86014 6.62607 2.22436 -210.36178 556.75621
5695.0000 -216.22477 -209.87237 6.35240 2.23904 -210.07573 580.10633
5700.0000 -216.78082 -210.51576 6.26505 2.18767 -211.07659 542.32751
5705.0000 -216.47964 -210.41887 6.06077 2.19467 -210.94029 519.32716
5710.0000 -215.79672 -210.35780 5.43892 2.21441 -210.55577 529.88218
5715.0000 -217.33757 -210.06176 7.27581 2.22806 -210.28969 552.47468
5720.0000 -215.48920 -209.35899 6.13022 2.23860 -210.08432 564.83047
5725.0000 -216.65095 -211.22992 5.42102 2.25360 -209.79205 576.53732
5730.0000 -217.47522 -210.98053 6.49470 2.18924 -211.04607 520.31015
5735.0000 -216.94464 -210.73006 6.21459 2.21071 -210.62781 530.03796
5740.0000 -216.83747 -210.90849 5.92898 2.17528 -211.31812 530.22592
5745.0000 -216.69299 -210.62037 6.07262 2.20226 -210.79242 547.09575
5750.0000 -217.71977 -211.40717 6.31260 2.17549 -211.31395 538.98533
FREEZING PROCESS: loop number 24 T-loop= 524.00000000000000
main_MD> interactions number 24 at Temperature= 524.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.11358 1.19434 -2.08851
force_rgl> df(natom) -0.07179 -0.47810 1.42910
5755.0000 -217.61494 -212.50500 5.10994 2.12806 -212.23802 503.38284
5760.0000 -219.00891 -213.06660 5.94231 2.09835 -212.81691 504.56284
5765.0000 -217.43732 -211.92669 5.51063 2.12604 -212.27742 523.17436
5770.0000 -216.59010 -211.18048 5.40962 2.16505 -211.51738 547.37582
5775.0000 -218.01907 -212.67977 5.33930 2.10653 -212.65764 497.88190
5780.0000 -217.82777 -212.32271 5.50506 2.10475 -212.69225 491.63558
5785.0000 -217.55429 -211.15178 6.40252 2.15412 -211.73027 503.94446
5790.0000 -217.65516 -210.60547 7.04969 2.20274 -210.78299 545.83493
5795.0000 -216.95174 -210.89418 6.05755 2.21265 -210.58990 570.47892
5800.0000 -217.22830 -212.16690 5.06140 2.17369 -211.34909 533.42428
5805.0000 -217.52715 -212.22360 5.30355 2.12849 -212.22965 503.14264
5810.0000 -218.44165 -213.78790 4.65375 2.09424 -212.89702 484.84230
5815.0000 -218.00337 -211.97353 6.02984 2.11006 -212.58874 488.54157
5820.0000 -216.77808 -210.87816 5.89992 2.16723 -211.47488 510.59548
5825.0000 -216.55752 -210.90832 5.64920 2.18759 -211.07814 520.36146
5830.0000 -218.06406 -213.71121 4.35285 2.12124 -212.37086 469.35924
5835.0000 -217.28299 -210.99432 6.28866 2.15624 -211.68903 508.89563
5840.0000 -216.97954 -211.07171 5.90783 2.22834 -210.28422 567.40280
5845.0000 -216.37341 -210.67338 5.70003 2.16920 -211.43645 514.79935
5850.0000 -216.76804 -210.58473 6.18331 2.19564 -210.92143 524.58164
5855.0000 -217.31306 -211.77822 5.53484 2.14997 -211.81122 514.51049
5860.0000 -218.36943 -212.72714 5.64229 2.12680 -212.26256 512.57841
5865.0000 -218.67247 -212.75419 5.91828 2.07339 -213.30329 474.53776
5870.0000 -218.82496 -212.81828 6.00668 2.09671 -212.84878 510.78665
5875.0000 -218.36493 -212.83172 5.53322 2.09188 -212.94307 520.57811
5880.0000 -218.21926 -212.02785 6.19141 2.11565 -212.47990 530.97491
5885.0000 -218.27747 -212.41258 5.86489 2.13344 -212.13321 547.10467
5890.0000 -218.36818 -211.12561 7.24257 2.10930 -212.60363 528.26297
5895.0000 -217.74917 -210.85029 6.89888 2.20399 -210.75869 591.25237
5900.0000 -218.15888 -212.28673 5.87216 2.15758 -211.66302 565.20719
5905.0000 -217.98765 -212.28032 5.70733 2.12365 -212.32396 522.93213
5910.0000 -217.31679 -211.12958 6.18721 2.14436 -211.92041 537.86788
5915.0000 -217.52991 -211.28643 6.24348 2.16978 -211.42514 565.18029
5920.0000 -217.72030 -211.50521 6.21510 2.17625 -211.29911 534.54355
5925.0000 -216.26552 -211.37666 4.88886 2.18027 -211.22085 537.28533
5930.0000 -217.46688 -211.62052 5.84637 2.17807 -211.26364 525.34069
5935.0000 -216.41463 -210.20812 6.20651 2.21170 -210.60849 548.25042
5940.0000 -217.95393 -211.40687 6.54706 2.20950 -210.65131 577.94675
5945.0000 -218.27022 -212.55832 5.71189 2.14123 -211.98143 521.45295
5950.0000 -218.70967 -213.35707 5.35260 2.09494 -212.88336 487.76807
5955.0000 -219.19189 -213.90173 5.29017 2.06503 -213.46613 483.31232
5960.0000 -219.16963 -213.63423 5.53540 2.06802 -213.40783 495.16412
5965.0000 -217.74630 -212.19520 5.55111 2.12048 -212.38568 531.24476
5970.0000 -219.65265 -213.95064 5.70201 2.10040 -212.77694 537.95632
5975.0000 -218.25606 -212.41949 5.83657 2.07004 -213.36848 514.67727
5980.0000 -218.86358 -211.14372 7.71985 2.16139 -211.58865 581.43051
5985.0000 -218.62395 -213.29457 5.32938 2.13880 -212.02879 573.26816
5990.0000 -218.42253 -212.53070 5.89183 2.08709 -213.03632 529.16316
5995.0000 -218.86693 -213.79625 5.07067 2.05896 -213.58440 511.13404
6000.0000 -219.04697 -212.57872 6.46825 2.08856 -213.00757 534.96343
FREEZING PROCESS: loop number 25 T-loop= 499.00000000000000
main_MD> interactions number 25 at Temperature= 499.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.41609 0.87973 -5.39210
force_rgl> df(natom) -1.47323 -1.13331 3.05038
6005.0000 -219.21922 -212.99512 6.22410 2.10718 -212.64488 542.58498
6010.0000 -218.91926 -213.45710 5.46216 2.08308 -213.11448 519.21944
6015.0000 -218.84301 -213.01730 5.82571 2.06875 -213.39363 503.88783
6020.0000 -219.14183 -212.69474 6.44709 2.09798 -212.82418 542.85123
6025.0000 -219.57927 -213.05101 6.52827 2.08979 -212.98375 530.84499
6030.0000 -220.21159 -214.87532 5.33627 2.04565 -213.84371 502.19761
6035.0000 -219.16932 -213.26415 5.90517 2.05699 -213.62269 509.02751
6040.0000 -219.43313 -213.46681 5.96632 2.04248 -213.90548 495.07228
6045.0000 -219.00473 -213.05755 5.94718 2.03812 -213.99042 490.78179
6050.0000 -219.31049 -214.12938 5.18111 2.03351 -214.08033 487.30675
6055.0000 -219.95048 -214.57973 5.37076 2.00222 -214.68983 463.23557
6060.0000 -219.27283 -214.38077 4.89206 2.03584 -214.03490 494.90125
6065.0000 -219.59792 -213.86758 5.73034 2.03379 -214.07476 489.90351
6070.0000 -219.97574 -215.18436 4.79138 2.01141 -214.51073 473.58240
6075.0000 -219.67131 -214.69876 4.97255 2.01561 -214.42899 473.27916
6080.0000 -219.28291 -213.74762 5.53529 1.98649 -214.99642 445.58369
6085.0000 -217.89263 -211.82378 6.06885 2.10864 -212.61645 523.44271
6090.0000 -219.15156 -214.22548 4.92607 2.07949 -213.18439 496.69404
6095.0000 -218.68107 -213.21888 5.46218 2.06564 -213.45415 497.42555
6100.0000 -218.33766 -213.52034 4.81733 2.06702 -213.42739 499.54928
6105.0000 -218.99772 -213.84804 5.14967 2.07403 -213.29077 507.89636
6110.0000 -219.48763 -214.17932 5.30830 2.01499 -214.44113 464.19606
6115.0000 -219.28132 -213.79842 5.48290 2.01724 -214.39725 470.70506
6120.0000 -218.95719 -213.26253 5.69465 2.06700 -213.42768 512.23830
6125.0000 -219.50558 -214.58797 4.91761 2.03833 -213.98632 488.09836
6130.0000 -219.49144 -213.91845 5.57299 2.03135 -214.12235 494.47576
6135.0000 -220.01080 -214.89794 5.11286 2.02780 -214.19149 484.35001
6140.0000 -219.74987 -214.96171 4.78817 1.98420 -215.04096 460.41213
6145.0000 -219.70105 -214.13658 5.56447 2.01854 -214.37181 478.55292
6150.0000 -219.53990 -214.11864 5.42126 2.02976 -214.15321 488.71882
6155.0000 -218.94779 -213.33287 5.61492 2.06312 -213.50325 500.38126
6160.0000 -218.56209 -212.52479 6.03730 2.08075 -213.15991 523.23270
6165.0000 -218.09562 -212.58179 5.51383 2.09695 -212.84422 544.79598
6170.0000 -219.29299 -213.93664 5.35635 2.07711 -213.23072 521.44982
6175.0000 -219.49823 -213.29115 6.20708 2.06084 -213.54767 507.65308
6180.0000 -218.55279 -212.31260 6.24019 2.08382 -213.09995 524.86227
6185.0000 -219.11930 -213.51445 5.60485 2.08777 -213.02299 528.67557
6190.0000 -219.09284 -213.42722 5.66562 2.06700 -213.42777 516.26329
6195.0000 -218.19782 -212.36458 5.83324 2.07573 -213.25772 511.81871
6200.0000 -218.35161 -212.98883 5.36278 2.09995 -212.78580 518.06244
6205.0000 -219.01958 -213.49192 5.52766 2.08039 -213.16691 500.74152
6210.0000 -217.17243 -211.83632 5.33611 2.10089 -212.76747 507.13980
6215.0000 -219.01351 -213.07326 5.94025 2.07706 -213.23178 477.97868
6220.0000 -216.90969 -211.27596 5.63374 2.12308 -212.33502 515.20175
6225.0000 -218.79817 -213.01486 5.78330 2.12840 -212.23149 550.88221
6230.0000 -218.46080 -213.16507 5.29573 2.08193 -213.13678 514.31211
6235.0000 -218.92854 -213.33200 5.59654 2.07652 -213.24228 516.82789
6240.0000 -218.54573 -213.08359 5.46214 2.09295 -212.92222 515.94713
6245.0000 -218.64733 -213.05090 5.59642 2.08286 -213.11877 509.43471
6250.0000 -219.10770 -213.46057 5.64712 2.07272 -213.31637 485.65936
FREEZING PROCESS: loop number 26 T-loop= 474.00000000000000
main_MD> interactions number 26 at Temperature= 474.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51348 0.89670 0.09377
force_rgl> df(natom) 0.83968 -1.19140 0.16096
6255.0000 -220.06150 -214.93630 5.12521 2.05339 -213.69284 484.37663
6260.0000 -219.27803 -214.28224 4.99578 1.99222 -214.88473 434.67548
6265.0000 -218.04352 -212.81322 5.23029 2.03305 -214.08925 467.22532
6270.0000 -219.34341 -213.49830 5.84511 2.10743 -212.63993 525.70423
6275.0000 -219.56819 -213.66569 5.90250 2.04962 -213.76627 484.95146
6280.0000 -219.60023 -214.92559 4.67464 2.03701 -214.01208 470.91243
6285.0000 -219.55880 -214.48178 5.07702 2.01051 -214.52836 452.47591
6290.0000 -219.15686 -213.68005 5.47681 2.04211 -213.91263 475.12599
6295.0000 -219.10949 -214.16815 4.94134 2.04905 -213.77752 478.70206
6300.0000 -219.11115 -212.77206 6.33909 2.06109 -213.54280 482.25665
6305.0000 -218.66535 -213.30363 5.36173 2.08515 -213.07406 499.01864
6310.0000 -218.50001 -212.85916 5.64085 2.09158 -212.94885 493.16150
6315.0000 -217.59028 -212.30271 5.28756 2.10851 -212.61904 520.89637
6320.0000 -217.69150 -212.27323 5.41827 2.11220 -212.54716 517.12020
6325.0000 -218.47857 -213.60758 4.87100 2.09497 -212.88286 508.09190
6330.0000 -218.20609 -213.44092 4.76517 2.04963 -213.76610 461.37827
6335.0000 -217.69436 -212.57404 5.12032 2.09985 -212.78765 485.69416
6340.0000 -217.37371 -212.14340 5.23031 2.12309 -212.33485 508.80250
6345.0000 -218.97517 -213.34884 5.62633 2.11727 -212.44824 501.12777
6350.0000 -217.96570 -212.83546 5.13024 2.05532 -213.65528 477.31822
6355.0000 -219.39002 -213.08671 6.30331 2.10914 -212.60675 519.54824
6360.0000 -218.93643 -213.89609 5.04034 2.07016 -213.36625 486.32501
6365.0000 -218.55537 -212.99866 5.55671 2.08300 -213.11596 498.77899
6370.0000 -219.41165 -213.95422 5.45743 2.06376 -213.49090 485.26444
6375.0000 -219.02725 -214.07059 4.95666 2.04224 -213.91011 476.79858
6380.0000 -219.70714 -214.97102 4.73613 2.02420 -214.26154 468.22163
6385.0000 -219.62258 -214.23133 5.39126 1.98559 -215.01392 430.43901
6390.0000 -219.87948 -213.77962 6.09985 2.01906 -214.36169 458.99560
6395.0000 -219.06637 -213.68315 5.38322 2.05081 -213.74313 478.09112
6400.0000 -218.57475 -213.67672 4.89803 2.04545 -213.84752 481.20107
6405.0000 -219.43886 -214.16417 5.27468 2.05053 -213.74868 484.91830
6410.0000 -219.93543 -213.71465 6.22078 2.02251 -214.29451 460.65245
6415.0000 -218.45327 -212.66898 5.78428 2.04190 -213.91684 462.36598
6420.0000 -218.49420 -213.65015 4.84405 2.07725 -213.22804 485.86810
6425.0000 -219.22263 -213.82605 5.39658 2.04663 -213.82454 460.79767
6430.0000 -218.37484 -213.85335 4.52148 2.04951 -213.76851 478.69349
6435.0000 -219.72588 -214.27111 5.45477 2.03829 -213.98704 473.52557
6440.0000 -219.36677 -214.22853 5.13824 2.04084 -213.93743 476.48697
6445.0000 -219.95601 -215.05738 4.89863 2.01477 -214.44539 451.77638
6450.0000 -219.83141 -214.62307 5.20834 1.99651 -214.80104 449.23916
6455.0000 -219.95868 -213.84432 6.11436 2.03563 -214.03899 476.62561
6460.0000 -218.70931 -212.80733 5.90198 2.06856 -213.39742 508.95177
6465.0000 -218.95172 -214.47903 4.47269 2.07185 -213.33321 510.45473
6470.0000 -219.63773 -215.46007 4.17766 2.00395 -214.65620 435.15545
6475.0000 -219.03593 -214.28370 4.75223 1.99733 -214.78512 454.73438
6480.0000 -218.24624 -213.36702 4.87922 2.05029 -213.75339 490.40005
6485.0000 -219.42674 -214.74575 4.68100 2.01133 -214.51243 466.30774
6490.0000 -220.08658 -214.09740 5.98918 2.00152 -214.70350 462.86109
6495.0000 -219.75659 -214.30748 5.44911 2.05035 -213.75217 496.59959
6500.0000 -219.85142 -214.50177 5.34965 2.00825 -214.57239 466.11578
FREEZING PROCESS: loop number 27 T-loop= 449.00000000000000
main_MD> interactions number 27 at Temperature= 449.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58738 1.29008 0.47802
force_rgl> df(natom) -1.07137 -0.13687 0.13769
6505.0000 -219.59998 -214.48015 5.11983 2.03237 -214.10250 477.42738
6510.0000 -220.48021 -215.87260 4.60761 1.95630 -215.58464 428.94218
6515.0000 -220.60856 -216.18044 4.42811 1.94902 -215.72647 423.72852
6520.0000 -220.51535 -216.22559 4.28975 1.92923 -216.11194 410.23541
6525.0000 -219.98341 -215.64479 4.33861 1.93809 -215.93936 414.33184
6530.0000 -219.48192 -213.68929 5.79264 2.00587 -214.61866 466.45580
6535.0000 -218.92703 -213.49675 5.43029 2.04509 -213.85454 489.86223
6540.0000 -218.74498 -214.25443 4.49055 2.04696 -213.81809 477.82122
6545.0000 -219.27283 -214.49141 4.78142 2.01005 -214.53724 454.14406
6550.0000 -219.37372 -213.94795 5.42577 2.01288 -214.48216 462.33198
6555.0000 -220.17095 -215.42142 4.74953 2.01648 -214.41213 456.99032
6560.0000 -219.72735 -214.86863 4.85872 1.99229 -214.88337 449.24694
6565.0000 -220.26040 -215.87175 4.38865 1.95631 -215.58443 425.63163
6570.0000 -220.21961 -215.19927 5.02034 1.94157 -215.87144 413.79107
6575.0000 -220.06716 -215.34873 4.71843 1.96336 -215.44701 433.65901
6580.0000 -219.62962 -214.95840 4.67122 1.97080 -215.30204 431.72725
6585.0000 -220.74246 -215.81267 4.92979 1.96192 -215.47506 433.62879
6590.0000 -219.55766 -214.60902 4.94864 1.99475 -214.83545 448.03397
6595.0000 -219.45201 -214.73496 4.71705 2.01871 -214.36859 459.35325
6600.0000 -220.53202 -215.42172 5.11030 1.97982 -215.12629 431.60914
6605.0000 -218.72165 -214.02834 4.69332 2.02256 -214.29353 475.51766
6610.0000 -219.70439 -214.94840 4.75599 2.02018 -214.33992 473.25322
6615.0000 -219.89225 -214.62854 5.26371 1.99833 -214.76565 456.68176
6620.0000 -220.39738 -215.97187 4.42551 1.96586 -215.39827 441.43555
6625.0000 -220.72969 -215.63661 5.09308 1.96745 -215.36734 435.22998
6630.0000 -219.67460 -214.53977 5.13483 1.97671 -215.18692 428.64637
6635.0000 -220.13103 -214.33401 5.79702 1.97693 -215.18255 441.16259
6640.0000 -220.33530 -215.55747 4.77783 2.01195 -214.50036 475.96119
6645.0000 -220.07239 -215.98170 4.09069 1.94540 -215.79691 414.08999
6650.0000 -219.64818 -213.78485 5.86333 1.99927 -214.74734 460.64974
6655.0000 -219.53828 -214.47305 5.06523 2.05150 -213.72969 499.66186
6660.0000 -219.50291 -214.47951 5.02340 2.02382 -214.26906 466.88186
6665.0000 -219.76977 -215.54277 4.22700 1.98367 -215.05135 431.46714
6670.0000 -219.26221 -214.84287 4.41933 1.96462 -215.42252 428.60928
6675.0000 -219.39681 -213.82800 5.56881 2.03162 -214.11711 471.11942
6680.0000 -219.79068 -215.14223 4.64845 2.03012 -214.14632 460.45906
6685.0000 -219.78616 -214.76046 5.02570 2.00536 -214.62867 449.54373
6690.0000 -220.17815 -215.47295 4.70521 1.98248 -215.07450 433.73163
6695.0000 -219.65493 -215.05389 4.60104 1.97765 -215.16867 434.23290
6700.0000 -220.50251 -216.40328 4.09923 1.95350 -215.63917 409.22887
6705.0000 -220.77858 -215.49093 5.28765 1.95155 -215.67707 413.11429
6710.0000 -219.31766 -214.43119 4.88646 1.98358 -215.05311 439.34177
6715.0000 -219.49954 -214.84151 4.65803 2.00532 -214.62954 448.82216
6720.0000 -220.31636 -215.43757 4.87879 1.98738 -214.97892 426.15587
6725.0000 -219.50351 -213.94847 5.55504 1.99266 -214.87618 443.34438
6730.0000 -219.62734 -214.83619 4.79115 2.01409 -214.45859 460.40051
6735.0000 -219.73974 -214.71447 5.02527 1.99456 -214.83906 441.89292
6740.0000 -218.06313 -212.68589 5.37724 2.07682 -213.23635 507.34009
6745.0000 -219.00061 -214.16877 4.83184 2.08242 -213.12731 499.74413
6750.0000 -219.89104 -215.66489 4.22615 1.99770 -214.77789 434.85955
FREEZING PROCESS: loop number 28 T-loop= 424.00000000000000
main_MD> interactions number 28 at Temperature= 424.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.42840 3.14551 -0.50590
force_rgl> df(natom) 0.00009 0.53639 -0.74935
6755.0000 -220.79438 -215.79743 4.99695 1.94139 -215.87512 395.77112
6760.0000 -219.38427 -214.87139 4.51288 1.95996 -215.51320 413.11199
6765.0000 -220.73934 -215.73297 5.00637 1.95913 -215.52949 408.91372
6770.0000 -219.77582 -215.22786 4.54795 1.97289 -215.26125 420.82561
6775.0000 -220.51737 -216.16514 4.35222 1.96163 -215.48062 396.40845
6780.0000 -220.30896 -215.35588 4.95307 1.93828 -215.93567 380.90766
6785.0000 -219.83662 -215.44520 4.39142 1.97300 -215.25920 414.34556
6790.0000 -219.03430 -214.44798 4.58632 2.01676 -214.40651 439.74184
6795.0000 -218.53150 -214.14581 4.38568 2.02994 -214.14981 450.45211
6800.0000 -219.52319 -214.11684 5.40635 2.04283 -213.89858 445.92058
6805.0000 -218.61940 -214.21122 4.40818 2.01581 -214.42510 420.84414
6810.0000 -218.26764 -213.90836 4.35928 2.04517 -213.85307 443.81688
6815.0000 -219.42621 -214.69231 4.73390 2.02923 -214.16363 436.54694
6820.0000 -219.04486 -214.33151 4.71334 2.01215 -214.49649 443.87841
6825.0000 -219.63600 -215.47296 4.16304 1.98360 -215.05256 428.22630
6830.0000 -220.32317 -215.61084 4.71233 1.94492 -215.80627 394.26857
6835.0000 -220.33955 -215.32751 5.01204 1.97779 -215.16587 414.99405
6840.0000 -220.23471 -215.72659 4.50813 1.97153 -215.28785 413.55681
6845.0000 -219.65810 -214.13220 5.52590 1.99933 -214.74614 431.74502
6850.0000 -219.89278 -215.04907 4.84371 1.99720 -214.78762 434.86516
6855.0000 -219.05903 -214.83915 4.21988 1.97762 -215.16915 416.10925
6860.0000 -220.09670 -215.19918 4.89752 1.97948 -215.13286 413.09657
6865.0000 -219.72291 -215.62051 4.10240 1.95224 -215.66359 398.39221
6870.0000 -220.26060 -214.02755 6.23305 1.96464 -215.42201 396.21046
6875.0000 -218.69571 -214.19306 4.50264 2.03253 -214.09932 445.84926
6880.0000 -218.89981 -214.67135 4.22846 2.01347 -214.47059 428.60096
6885.0000 -219.65087 -214.50876 5.14211 1.99158 -214.89727 412.54317
6890.0000 -219.31307 -214.59480 4.71828 2.01618 -214.41782 432.16291
6895.0000 -219.27518 -214.75177 4.52341 2.02860 -214.17588 457.67735
6900.0000 -219.13747 -214.95388 4.18358 1.97297 -215.25973 410.27157
6905.0000 -219.94579 -215.47191 4.47388 1.97858 -215.15042 418.93780
6910.0000 -219.46390 -214.24132 5.22258 1.97412 -215.23742 402.51295
6915.0000 -219.82621 -214.66877 5.15745 2.01684 -214.40494 448.19983
6920.0000 -220.44799 -215.52694 4.92105 1.94468 -215.81097 402.62227
6925.0000 -220.35709 -215.35174 5.00535 1.98540 -215.01758 436.55328
6930.0000 -219.57468 -214.99432 4.58035 1.97227 -215.27335 424.10335
6935.0000 -219.96078 -215.47941 4.48138 1.97387 -215.24215 420.76966
6940.0000 -220.55784 -215.35183 5.20600 1.97616 -215.19767 418.50224
6945.0000 -220.28679 -215.66551 4.62128 1.93721 -215.95653 401.30902
6950.0000 -220.36454 -216.17669 4.18785 1.95152 -215.67758 407.85427
6955.0000 -220.82746 -216.70542 4.12204 1.90561 -216.57226 373.33215
6960.0000 -220.58452 -215.74142 4.84311 1.93602 -215.97975 394.14293
6965.0000 -220.36910 -215.97042 4.39869 1.93339 -216.03095 391.43814
6970.0000 -220.69797 -216.06589 4.63207 1.94887 -215.72936 403.06921
6975.0000 -219.65997 -215.74128 3.91869 1.96223 -215.46906 417.15232
6980.0000 -220.08780 -215.66355 4.42425 1.96453 -215.42417 416.72700
6985.0000 -219.39904 -214.44535 4.95368 1.96598 -215.39588 417.20076
6990.0000 -219.83996 -215.08217 4.75779 2.01042 -214.53016 456.39683
6995.0000 -219.86162 -215.17303 4.68859 1.97762 -215.16907 426.63088
7000.0000 -219.80781 -214.53215 5.27565 1.99387 -214.85249 441.83308
FREEZING PROCESS: loop number 29 T-loop= 399.00000000000000
main_MD> interactions number 29 at Temperature= 399.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.40027 0.96289 2.65508
force_rgl> df(natom) 2.46277 -0.84927 1.93291
7005.0000 -219.35779 -215.42383 3.93396 1.99370 -214.85589 443.77365
7010.0000 -219.75867 -215.52597 4.23270 1.95161 -215.67595 411.95449
7015.0000 -220.92592 -216.59224 4.33368 1.93660 -215.96839 395.38888
7020.0000 -220.30440 -216.54659 3.75782 1.88227 -217.02690 350.84980
7025.0000 -220.22065 -216.26049 3.96016 1.91702 -216.34992 380.02971
7030.0000 -221.03051 -217.00190 4.02861 1.93448 -216.00977 392.28038
7035.0000 -221.27759 -216.89579 4.38180 1.91005 -216.48568 379.81823
7040.0000 -220.53261 -216.44985 4.08276 1.91028 -216.48109 387.48412
7045.0000 -221.38081 -217.25339 4.12742 1.88869 -216.90173 378.36995
7050.0000 -221.04071 -217.22463 3.81608 1.88607 -216.95279 382.37285
7055.0000 -220.19728 -216.11248 4.08480 1.91489 -216.39127 402.87778
7060.0000 -220.20621 -216.13655 4.06967 1.94242 -215.85494 419.48827
7065.0000 -221.10029 -216.44495 4.65534 1.90401 -216.60341 393.16151
7070.0000 -220.87484 -216.44578 4.42906 1.91161 -216.45525 400.74904
7075.0000 -220.73525 -216.52989 4.20536 1.89565 -216.76625 389.80499
7080.0000 -221.15190 -216.66065 4.49124 1.88336 -217.00570 376.25968
7085.0000 -220.63488 -216.45214 4.18274 1.89653 -216.74909 388.44023
7090.0000 -220.75358 -216.14681 4.60677 1.90271 -216.62871 390.37563
7095.0000 -219.19206 -214.65593 4.53613 1.94647 -215.77607 421.52761
7100.0000 -220.10198 -215.11694 4.98504 1.99122 -214.90422 461.98231
7105.0000 -220.82286 -215.70386 5.11900 1.96672 -215.38144 441.15901
7110.0000 -220.60998 -216.21051 4.39947 1.94108 -215.88105 415.20826
7115.0000 -219.99310 -215.48233 4.51077 1.95084 -215.69094 396.18463
7120.0000 -220.40711 -215.88652 4.52059 1.96486 -215.41770 412.59173
7125.0000 -220.55105 -216.04077 4.51028 1.92325 -216.22846 395.33331
7130.0000 -219.70190 -214.91399 4.78791 1.97821 -215.15761 434.24402
7135.0000 -220.66767 -216.08768 4.57999 1.95420 -215.62544 414.65021
7140.0000 -220.96946 -217.08366 3.88579 1.88703 -216.93419 366.09760
7145.0000 -220.18666 -215.96704 4.21962 1.94302 -215.84326 409.52824
7150.0000 -220.08604 -215.59169 4.49434 1.96449 -215.42505 412.24185
7155.0000 -220.56843 -216.11912 4.44931 1.95016 -215.70410 408.27014
7160.0000 -220.48868 -215.57828 4.91040 1.94847 -215.73707 405.51110
7165.0000 -220.77726 -216.60577 4.17149 1.94052 -215.89198 405.40771
7170.0000 -219.75412 -215.72176 4.03237 1.90313 -216.62050 376.89402
7175.0000 -220.24101 -216.23699 4.00402 1.92187 -216.25533 391.44665
7180.0000 -220.08181 -216.05346 4.02835 1.93779 -215.94509 410.00931
7185.0000 -219.97340 -215.66427 4.30913 1.95790 -215.55335 428.13686
7190.0000 -220.28649 -215.44874 4.83776 1.95068 -215.69410 415.23276
7195.0000 -220.16153 -216.04179 4.11975 1.93714 -215.95790 401.85791
7200.0000 -221.25173 -215.88558 5.36615 1.93682 -215.96411 405.93053
7205.0000 -220.48557 -216.66562 3.81995 1.92414 -216.21111 386.72725
7210.0000 -220.67547 -216.34311 4.33237 1.89197 -216.83794 368.56174
7215.0000 -220.46980 -216.61162 3.85818 1.90594 -216.56582 374.24498
7220.0000 -220.20195 -215.93145 4.27049 1.93983 -215.90540 403.70935
7225.0000 -220.02994 -215.84255 4.18739 1.94289 -215.84590 409.40483
7230.0000 -220.26321 -216.07427 4.18894 1.93314 -216.03569 400.77289
7235.0000 -220.97996 -216.52893 4.45102 1.92765 -216.14274 383.76590
7240.0000 -220.04516 -216.09044 3.95472 1.93396 -216.01982 391.44032
7245.0000 -219.97448 -215.62451 4.34996 1.93803 -215.94058 386.06441
7250.0000 -220.03393 -215.41613 4.61780 1.96289 -215.45625 404.27115
FREEZING PROCESS: loop number 30 T-loop= 374.00000000000000
main_MD> interactions number 30 at Temperature= 374.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.64657 0.59983 -0.66382
force_rgl> df(natom) 1.31300 -0.24860 0.29318
7255.0000 -219.61092 -215.84333 3.76759 1.95692 -215.57239 396.47266
7260.0000 -220.19963 -216.01359 4.18604 1.95061 -215.69532 404.67178
7265.0000 -220.43505 -216.52712 3.90793 1.91363 -216.41600 374.92736
7270.0000 -220.94290 -216.53588 4.40702 1.89055 -216.86555 358.25661
7275.0000 -220.34757 -215.69074 4.65684 1.92895 -216.11742 385.35093
7280.0000 -220.18830 -216.04848 4.13982 1.91030 -216.48070 368.03485
7285.0000 -220.78182 -216.96592 3.81590 1.91208 -216.44617 383.09592
7290.0000 -221.21920 -217.34670 3.87250 1.89154 -216.84628 365.70211
7295.0000 -221.47201 -217.26866 4.20334 1.84761 -217.70228 328.41485
7300.0000 -221.65069 -217.46158 4.18910 1.87102 -217.24609 348.27933
7305.0000 -220.76803 -216.56068 4.20735 1.89579 -216.76350 370.76084
7310.0000 -220.37147 -216.72507 3.64640 1.90220 -216.63869 372.76673
7315.0000 -221.59803 -217.43164 4.16639 1.86983 -217.26930 349.97718
7320.0000 -221.32517 -217.58441 3.74075 1.85891 -217.48204 341.50255
7325.0000 -220.97508 -216.63319 4.34189 1.88555 -216.96298 365.18906
7330.0000 -220.58577 -215.97145 4.61432 1.89614 -216.75669 371.83116
7335.0000 -221.15453 -216.57845 4.57608 1.91164 -216.45476 382.82338
7340.0000 -219.94068 -215.75658 4.18410 1.91842 -216.32253 382.31458
7345.0000 -220.40820 -215.81810 4.59009 1.96044 -215.50386 414.01251
7350.0000 -220.50082 -215.79949 4.70133 1.95546 -215.60087 413.20492
7355.0000 -220.34490 -216.29602 4.04888 1.91989 -216.29389 381.18273
7360.0000 -219.85757 -215.45415 4.40343 1.93104 -216.07674 388.67938
7365.0000 -220.29116 -216.54591 3.74525 1.95971 -215.51816 411.99370
7370.0000 -220.83104 -216.74591 4.08513 1.89994 -216.68266 365.98460
7375.0000 -221.19990 -216.57308 4.62682 1.89649 -216.74980 361.89169
7380.0000 -220.69650 -216.48761 4.20889 1.91832 -216.32457 383.27868
7385.0000 -220.84463 -217.33599 3.50864 1.88287 -217.01531 352.36004
7390.0000 -220.55600 -216.49178 4.06422 1.89470 -216.78464 363.05068
7395.0000 -220.39832 -216.08394 4.31438 1.91651 -216.35981 381.49645
7400.0000 -221.11330 -216.66575 4.44755 1.92471 -216.20001 393.32098
7405.0000 -220.31385 -216.10990 4.20395 1.91566 -216.37638 381.74102
7410.0000 -220.62457 -216.38288 4.24169 1.91881 -216.31495 389.18844
7415.0000 -221.08564 -217.01641 4.06923 1.90363 -216.61065 376.73847
7420.0000 -220.73896 -216.99935 3.73961 1.89020 -216.87231 372.77461
7425.0000 -220.83218 -217.15547 3.67671 1.87836 -217.10307 357.85044
7430.0000 -220.80344 -216.63187 4.17157 1.87817 -217.10687 358.04350
7435.0000 -220.80174 -216.96809 3.83365 1.87857 -217.09898 358.16359
7440.0000 -221.96790 -217.29709 4.67081 1.88146 -217.04271 364.52738
7445.0000 -221.26546 -217.22137 4.04409 1.87329 -217.20182 353.46841
7450.0000 -221.62413 -217.20934 4.41479 1.85620 -217.53474 343.04847
7455.0000 -221.51653 -216.90803 4.60851 1.87187 -217.22955 355.49046
7460.0000 -220.87523 -216.67495 4.20028 1.91796 -216.33163 392.45983
7465.0000 -221.12887 -216.75004 4.37883 1.89072 -216.86235 367.48936
7470.0000 -220.46412 -215.93163 4.53249 1.91442 -216.40044 388.33318
7475.0000 -220.72933 -216.45725 4.27208 1.90472 -216.58943 380.70408
7480.0000 -220.24435 -216.22388 4.02046 1.93286 -216.04126 398.84368
7485.0000 -220.74615 -216.55348 4.19267 1.91646 -216.36079 386.34413
7490.0000 -220.64277 -216.18150 4.46127 1.92127 -216.26714 393.79683
7495.0000 -220.98334 -216.07842 4.90492 1.94019 -215.89842 405.01427
7500.0000 -221.02643 -216.52056 4.50587 1.89444 -216.78978 371.50961
FREEZING PROCESS: loop number 31 T-loop= 349.00000000000000
main_MD> interactions number 31 at Temperature= 349.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.59886 -0.12014 0.49002
force_rgl> df(natom) 1.01410 -2.26549 0.28088
7505.0000 -221.52733 -217.55536 3.97197 1.87950 -217.08078 360.42246
7510.0000 -220.89309 -217.41626 3.47683 1.87325 -217.20261 354.39774
7515.0000 -220.89152 -217.38930 3.50223 1.86300 -217.40238 342.93250
7520.0000 -220.91290 -217.06563 3.84728 1.85824 -217.49501 334.87715
7525.0000 -221.36827 -217.29311 4.07515 1.87114 -217.24377 347.15117
7530.0000 -221.29128 -217.30258 3.98870 1.88087 -217.05414 353.06037
7535.0000 -221.44027 -217.46565 3.97462 1.86913 -217.28296 346.42906
7540.0000 -221.13928 -217.01761 4.12168 1.85982 -217.46424 334.36332
7545.0000 -221.53404 -218.01246 3.52158 1.86706 -217.32320 345.04651
7550.0000 -220.81623 -215.94656 4.86966 1.87978 -217.07550 353.42319
7555.0000 -220.96440 -217.31877 3.64563 1.91152 -216.45705 378.59426
7560.0000 -221.08418 -217.19542 3.88875 1.85620 -217.53478 336.10435
7565.0000 -221.51915 -217.35698 4.16217 1.85918 -217.47674 338.29949
7570.0000 -221.05691 -217.73704 3.31987 1.85039 -217.64805 332.13323
7575.0000 -220.28278 -216.81089 3.47189 1.88066 -217.05821 355.65922
7580.0000 -221.45519 -216.75012 4.70507 1.87627 -217.14385 349.33278
7585.0000 -220.96011 -217.00461 3.95550 1.88434 -216.98649 357.66722
7590.0000 -221.09948 -217.64722 3.45226 1.85886 -217.48293 343.92030
7595.0000 -221.22611 -217.29495 3.93117 1.86761 -217.31258 351.85447
7600.0000 -221.10425 -217.72118 3.38307 1.84818 -217.69107 331.58265
7605.0000 -221.10529 -217.25607 3.84922 1.86926 -217.28046 355.02958
7610.0000 -221.15241 -217.31041 3.84200 1.87469 -217.17454 357.32458
7615.0000 -221.48860 -217.83582 3.65279 1.86776 -217.30959 354.41400
7620.0000 -221.18222 -217.01491 4.16731 1.85394 -217.57887 341.10691
7625.0000 -221.71799 -217.32105 4.39693 1.87994 -217.07231 365.38179
7630.0000 -221.86757 -218.36803 3.49954 1.84178 -217.81585 338.45162
7635.0000 -221.85553 -218.10304 3.75249 1.82479 -218.14684 319.56335
7640.0000 -221.15301 -218.09336 3.05965 1.81940 -218.25188 320.07362
7645.0000 -221.90033 -218.32724 3.57309 1.81708 -218.29694 320.35962
7650.0000 -221.59158 -217.93198 3.65960 1.84873 -217.68031 346.24427
7655.0000 -221.84647 -217.73486 4.11161 1.84796 -217.69542 337.37402
7660.0000 -221.72792 -218.17540 3.55252 1.82594 -218.12442 329.66047
7665.0000 -221.14165 -217.57098 3.57067 1.83937 -217.86280 337.56577
7670.0000 -221.42204 -218.29440 3.12764 1.83030 -218.03940 328.31368
7675.0000 -221.56913 -218.04171 3.52742 1.81095 -218.41651 310.27500
7680.0000 -221.45590 -217.14110 4.31479 1.85317 -217.59396 350.55454
7685.0000 -220.80627 -217.03160 3.77467 1.89475 -216.78375 378.32943
7690.0000 -221.18444 -217.53809 3.64635 1.86606 -217.34276 356.63128
7695.0000 -221.22521 -217.43304 3.79216 1.88313 -217.01023 379.11182
7700.0000 -221.28743 -217.39446 3.89297 1.87459 -217.17646 375.52475
7705.0000 -221.60021 -217.12319 4.47702 1.87428 -217.18262 374.77770
7710.0000 -221.57953 -217.83124 3.74829 1.85671 -217.52481 356.77555
7715.0000 -221.66297 -217.40012 4.26285 1.84404 -217.77179 348.81737
7720.0000 -221.86114 -217.62679 4.23435 1.84541 -217.74502 367.03073
7725.0000 -222.22445 -218.27758 3.94687 1.85023 -217.65114 370.83615
7730.0000 -222.36923 -218.65323 3.71600 1.80380 -218.55584 336.51190
7735.0000 -221.94018 -218.56641 3.37376 1.79595 -218.70878 329.72435
7740.0000 -222.02407 -217.76331 4.26076 1.85094 -217.63728 371.08862
7745.0000 -222.34204 -218.16491 4.17713 1.85138 -217.62871 374.29132
7750.0000 -222.38880 -218.17012 4.21868 1.81009 -218.43317 340.74432
FREEZING PROCESS: loop number 32 T-loop= 324.00000000000000
main_MD> interactions number 32 at Temperature= 324.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.21322 1.65807 -0.98637
force_rgl> df(natom) -0.25276 2.32529 -1.18423
7755.0000 -222.54013 -218.73083 3.80930 1.81913 -218.25710 347.71326
7760.0000 -222.44186 -218.22244 4.21942 1.80732 -218.48714 336.26732
7765.0000 -222.20597 -218.22832 3.97764 1.81915 -218.25678 350.18939
7770.0000 -221.93562 -218.87386 3.06176 1.80681 -218.49713 340.92151
7775.0000 -222.50796 -218.69510 3.81287 1.79779 -218.67287 329.73570
7780.0000 -221.90046 -218.87384 3.02662 1.79848 -218.65947 333.49146
7785.0000 -222.68308 -219.45248 3.23060 1.77007 -219.21292 309.54333
7790.0000 -222.58266 -218.87206 3.71060 1.76857 -219.24209 307.76820
7795.0000 -222.47912 -218.96397 3.51514 1.78469 -218.92805 320.96128
7800.0000 -222.27982 -218.62447 3.65536 1.78979 -218.82871 322.41357
7805.0000 -222.33831 -218.81420 3.52411 1.78839 -218.85605 324.31711
7810.0000 -222.19200 -218.97082 3.22118 1.77235 -219.16846 307.88319
7815.0000 -222.09060 -218.42339 3.66722 1.79668 -218.69457 330.44821
7820.0000 -222.51872 -219.14627 3.37244 1.79610 -218.70584 329.23038
7825.0000 -222.51519 -218.74649 3.76871 1.77652 -219.08721 312.71683
7830.0000 -222.06318 -217.79048 4.27271 1.78950 -218.83440 321.37554
7835.0000 -222.66687 -218.95961 3.70725 1.81749 -218.28911 346.38127
7840.0000 -222.48701 -219.53018 2.95682 1.77854 -219.04788 313.71936
7845.0000 -222.42822 -218.75770 3.67053 1.76314 -219.34789 302.30656
7850.0000 -221.93371 -218.49453 3.43918 1.79439 -218.73913 325.72626
7855.0000 -222.32020 -218.55495 3.76525 1.81636 -218.31105 345.50395
7860.0000 -222.53619 -218.48813 4.04806 1.79719 -218.68453 331.22576
7865.0000 -222.47027 -218.98907 3.48121 1.79796 -218.66951 330.35730
7870.0000 -223.19231 -219.51451 3.67780 1.77279 -219.15995 310.30962
7875.0000 -222.40268 -218.98186 3.42081 1.75832 -219.44197 298.39308
7880.0000 -222.93971 -219.33748 3.60224 1.78528 -218.91655 320.02382
7885.0000 -222.22045 -218.56431 3.65614 1.80437 -218.54467 336.34403
7890.0000 -222.25368 -218.63349 3.62019 1.78814 -218.86091 323.56734
7895.0000 -221.81361 -218.06285 3.75077 1.80362 -218.55924 336.49236
7900.0000 -222.13031 -218.22690 3.90340 1.82547 -218.13361 355.08123
7905.0000 -222.54964 -219.41115 3.13848 1.79339 -218.75862 325.72840
7910.0000 -222.36578 -219.46939 2.89638 1.76022 -219.40486 303.07127
7915.0000 -222.93131 -219.30400 3.62730 1.76278 -219.35501 302.64702
7920.0000 -221.92551 -218.59289 3.33262 1.77560 -219.10514 313.94796
7925.0000 -222.11801 -218.80530 3.31271 1.78336 -218.95400 321.49326
7930.0000 -222.57257 -218.96380 3.60877 1.78593 -218.90394 320.84942
7935.0000 -222.38302 -218.83538 3.54764 1.77915 -219.03609 315.07555
7940.0000 -222.33270 -218.78929 3.54341 1.78069 -219.00596 316.12835
7945.0000 -222.47951 -218.69437 3.78514 1.81909 -218.25787 347.50440
7950.0000 -222.17774 -218.33212 3.84562 1.81419 -218.35336 341.75912
7955.0000 -222.47877 -218.90284 3.57593 1.79935 -218.64257 330.16221
7960.0000 -222.29659 -218.62206 3.67452 1.81282 -218.38011 343.14701
7965.0000 -221.93386 -218.62295 3.31091 1.80405 -218.55085 334.33111
7970.0000 -222.55546 -218.97424 3.58122 1.80353 -218.56111 334.52583
7975.0000 -222.46603 -219.06119 3.40484 1.77197 -219.17593 309.68793
7980.0000 -222.59360 -218.36588 4.22771 1.77698 -219.07836 312.61004
7985.0000 -222.19305 -218.39723 3.79582 1.80193 -218.59229 334.83635
7990.0000 -222.59682 -218.80103 3.79579 1.80960 -218.44270 335.34964
7995.0000 -222.63862 -219.15899 3.47963 1.78603 -218.90205 318.72139
8000.0000 -222.20925 -218.73854 3.47072 1.79545 -218.71855 328.30842
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 7.8311971 [s].
main_MD> Deallocating global variables
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