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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_92/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_92.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 92 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 92 9200
main_MD> Size of nv and nvoiz: 92 9200
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 92
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.15374054541748758 6.1076138615830680E-002 -6.2914120232224424E-002 initial drift of cluster / NP1 for coalescence
init> 0.31593158420993256 0.33778872490694917 0.30564491315258119 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6818515511503865E-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) 5.05712 -5.95115 -2.75119
force_rgl> df(natom) -1.68766 -3.84960 0.06456
preparo> THERMALIZATION PROCESS AT 1172.2784802564488
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -207.04842639546300 14.081332593443751 -221.12975898890676 6.6414846901562293E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1151.0000000000000
main_MD> interactions number 1 at Temperature= 1151.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56716 1.92455 2.79380
force_rgl> df(natom) 2.77045 4.24867 3.70817
5.0000 -218.66155 -204.82560 13.83595 3.18319 -206.52842 1132.14821
10.0000 -222.17828 -210.96849 11.20978 3.10609 -208.09976 1097.94067
15.0000 -220.89033 -208.99017 11.90015 3.04345 -209.37624 1042.23353
20.0000 -219.38118 -206.19564 13.18554 3.17958 -206.60192 1127.52223
25.0000 -220.83947 -206.98508 13.85439 3.18469 -206.49795 1138.88643
30.0000 -219.61701 -204.48180 15.13522 3.22384 -205.69993 1175.81962
35.0000 -219.36249 -204.53017 14.83232 3.25136 -205.13923 1184.13446
40.0000 -216.50032 -203.63677 12.86355 3.27759 -204.60459 1191.43073
45.0000 -218.65578 -203.19388 15.46191 3.34262 -203.27938 1179.27097
50.0000 -221.35601 -207.03421 14.32180 3.18067 -206.57974 1105.82939
55.0000 -217.78007 -204.65263 13.12745 3.25078 -205.15102 1164.10016
60.0000 -220.12782 -207.97438 12.15343 3.23346 -205.50385 1152.48112
65.0000 -219.42222 -206.53185 12.89037 3.19810 -206.22462 1169.81443
70.0000 -218.43494 -203.21182 15.22312 3.22933 -205.58813 1171.84441
75.0000 -218.37109 -204.30493 14.06616 3.35329 -203.06190 1214.98518
80.0000 -218.52563 -204.90146 13.62417 3.24777 -205.21230 1190.23263
85.0000 -219.10880 -205.80673 13.30207 3.25774 -205.00923 1146.98684
90.0000 -219.15084 -206.95920 12.19163 3.19668 -206.25351 1132.81687
95.0000 -221.79428 -207.70740 14.08688 3.11793 -207.85836 1086.72258
100.0000 -220.16505 -206.18871 13.97634 3.17041 -206.78893 1109.69353
105.0000 -219.41400 -206.74631 12.66768 3.17653 -206.66424 1085.49654
110.0000 -219.61436 -206.78154 12.83282 3.11786 -207.85972 1083.49391
115.0000 -219.06299 -206.88801 12.17498 3.15605 -207.08152 1119.38966
120.0000 -220.63827 -205.48990 15.14837 3.20251 -206.13471 1128.89547
125.0000 -220.36468 -208.31052 12.05416 3.18241 -206.54440 1111.73226
130.0000 -220.22539 -207.82460 12.40080 3.13137 -207.58448 1086.19182
135.0000 -220.30603 -208.56467 11.74135 3.09254 -208.37591 1091.28308
140.0000 -217.91417 -207.31144 10.60274 3.18786 -206.43334 1106.01214
145.0000 -219.21046 -203.78963 15.42083 3.20364 -206.11171 1124.68955
150.0000 -216.54968 -202.34841 14.20126 3.40176 -202.07409 1265.71498
155.0000 -221.76261 -207.29996 14.46264 3.28470 -204.45978 1207.65484
160.0000 -221.90678 -209.01552 12.89126 3.08797 -208.46905 1080.07821
165.0000 -220.03896 -207.27933 12.75963 3.11988 -207.81858 1099.10583
170.0000 -218.29176 -203.37296 14.91880 3.24432 -205.28266 1182.75567
175.0000 -219.49035 -206.78540 12.70495 3.27605 -204.63594 1168.35427
180.0000 -216.45630 -202.74294 13.71336 3.26261 -204.90997 1178.33296
185.0000 -218.23316 -203.21319 15.01997 3.36031 -202.91874 1223.60692
190.0000 -219.14726 -205.90265 13.24461 3.27466 -204.66442 1199.77978
195.0000 -217.59899 -203.60019 13.99880 3.24044 -205.36177 1136.90084
200.0000 -219.51995 -206.60493 12.91503 3.30969 -203.95038 1174.88333
205.0000 -218.13060 -205.87111 12.25949 3.22418 -205.69301 1139.89270
210.0000 -219.31753 -204.37625 14.94128 3.25625 -205.03950 1176.85296
215.0000 -218.47068 -203.26166 15.20902 3.31457 -203.85099 1200.36245
220.0000 -218.44516 -203.73995 14.70521 3.28224 -204.50987 1178.87252
225.0000 -218.62435 -205.30563 13.31873 3.29183 -204.31436 1193.64895
230.0000 -219.69839 -204.61032 15.08807 3.29853 -204.17781 1198.96228
235.0000 -219.87227 -204.80722 15.06505 3.24454 -205.27817 1158.88302
240.0000 -221.09330 -206.11810 14.97520 3.22662 -205.64336 1186.44860
245.0000 -220.07306 -206.38908 13.68399 3.18122 -206.56851 1114.65760
250.0000 -217.81477 -203.70008 14.11470 3.15149 -207.17451 1094.95717
FREEZING PROCESS: loop number 2 T-loop= 1126.0000000000000
main_MD> interactions number 2 at Temperature= 1126.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.75560 -0.31481 -1.09873
force_rgl> df(natom) -2.05537 1.00185 0.57751
255.0000 -217.00181 -202.45566 14.54615 3.34777 -203.17438 1234.72283
260.0000 -217.46874 -204.56012 12.90862 3.37527 -202.61393 1215.13397
265.0000 -219.07228 -204.01038 15.06190 3.27235 -204.71140 1172.54467
270.0000 -221.56295 -209.11792 12.44503 3.18271 -206.53825 1128.82768
275.0000 -218.18737 -206.02608 12.16129 3.11902 -207.83611 1079.92728
280.0000 -219.15523 -205.12996 14.02527 3.17751 -206.64417 1118.26095
285.0000 -217.99057 -204.30599 13.68458 3.30022 -204.14340 1187.65362
290.0000 -218.27489 -206.08695 12.18794 3.30696 -204.00596 1227.86825
295.0000 -218.01658 -204.18329 13.83328 3.20661 -206.05116 1158.45545
300.0000 -220.70397 -207.22652 13.47744 3.22617 -205.65252 1164.23205
305.0000 -220.79888 -205.77710 15.02178 3.18179 -206.55705 1126.23094
310.0000 -218.15823 -204.42609 13.73214 3.28860 -204.38019 1194.03194
315.0000 -220.22905 -206.08720 14.14184 3.21646 -205.85045 1155.02028
320.0000 -219.99960 -207.39790 12.60170 3.14398 -207.32759 1097.54187
325.0000 -219.34775 -204.62335 14.72440 3.19565 -206.27448 1096.31177
330.0000 -220.25064 -207.77979 12.47084 3.19609 -206.26553 1119.90124
335.0000 -218.79013 -204.64203 14.14810 3.19166 -206.35584 1134.24059
340.0000 -218.62217 -204.81865 13.80352 3.30496 -204.04689 1193.72222
345.0000 -218.23207 -204.83064 13.40143 3.25654 -205.03358 1143.67587
350.0000 -218.95978 -204.81687 14.14292 3.24453 -205.27836 1166.99192
355.0000 -218.79636 -203.82419 14.97218 3.26300 -204.90202 1156.43742
360.0000 -216.70119 -203.36328 13.33791 3.27651 -204.62656 1180.30660
365.0000 -216.33704 -202.74590 13.59115 3.40789 -201.94925 1280.10108
370.0000 -219.02162 -202.34330 16.67832 3.37738 -202.57100 1241.10765
375.0000 -218.49663 -204.39332 14.10332 3.32022 -203.73577 1211.66190
380.0000 -221.27228 -206.77506 14.49722 3.28049 -204.54543 1199.21577
385.0000 -222.33299 -208.37826 13.95472 3.10058 -208.21188 1050.05442
390.0000 -222.67394 -211.01442 11.65952 3.02484 -209.75556 1012.19587
395.0000 -219.90049 -206.81945 13.08105 3.09077 -208.41179 1066.93905
400.0000 -219.06008 -205.70318 13.35690 3.16401 -206.91920 1104.36343
405.0000 -221.77742 -207.78203 13.99538 3.18732 -206.44418 1138.37350
410.0000 -221.84203 -209.38168 12.46035 3.10703 -208.08050 1086.92886
415.0000 -222.50159 -209.63712 12.86446 3.04813 -209.28077 1051.08244
420.0000 -221.99873 -210.07497 11.92376 3.02365 -209.77982 1040.57374
425.0000 -219.04289 -205.04186 14.00104 3.13609 -207.48821 1090.47303
430.0000 -220.30322 -204.53296 15.77026 3.28768 -204.39892 1224.53158
435.0000 -221.09143 -205.90578 15.18564 3.24755 -205.21685 1177.16380
440.0000 -223.05024 -209.30371 13.74653 3.13097 -207.59271 1104.19912
445.0000 -220.23963 -207.36246 12.87717 3.11294 -207.96012 1081.85994
450.0000 -218.57752 -203.00968 15.56784 3.25194 -205.12732 1166.74010
455.0000 -216.23268 -204.51504 11.71764 3.32911 -203.55456 1195.72090
460.0000 -219.96811 -205.93234 14.03576 3.25293 -205.10719 1149.14450
465.0000 -219.02232 -202.90677 16.11556 3.27791 -204.59804 1152.21507
470.0000 -216.87707 -202.51177 14.36531 3.41788 -201.74553 1273.47600
475.0000 -218.88260 -205.29837 13.58423 3.31547 -203.83255 1207.60066
480.0000 -217.43454 -205.41754 12.01701 3.26030 -204.95691 1156.57821
485.0000 -218.36068 -205.15232 13.20836 3.27456 -204.66633 1178.46564
490.0000 -218.24226 -204.23364 14.00862 3.27910 -204.57381 1153.10094
495.0000 -218.37213 -203.83533 14.53680 3.29493 -204.25125 1173.59557
500.0000 -217.12102 -204.15168 12.96934 3.29878 -204.17285 1181.12100
FREEZING PROCESS: loop number 3 T-loop= 1101.0000000000000
main_MD> interactions number 3 at Temperature= 1101.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.95660 1.71071 -3.11848
force_rgl> df(natom) -0.75735 -0.28831 -0.76157
505.0000 -219.40288 -204.92626 14.47663 3.29708 -204.20747 1170.80767
510.0000 -218.89594 -206.54883 12.34711 3.17059 -206.78518 1126.41764
515.0000 -221.50506 -205.71310 15.79196 3.24018 -205.36700 1159.00521
520.0000 -219.27189 -205.38994 13.88195 3.18892 -206.41156 1119.78606
525.0000 -219.47731 -207.57770 11.89960 3.22119 -205.75406 1142.52490
530.0000 -220.72949 -206.52167 14.20782 3.17454 -206.70463 1086.02414
535.0000 -220.35649 -207.77789 12.57861 3.11778 -207.86136 1091.77438
540.0000 -221.53401 -208.15127 13.38274 3.11189 -207.98148 1057.51815
545.0000 -221.14175 -209.72309 11.41866 3.08019 -208.62754 1052.34568
550.0000 -223.11129 -210.98215 12.12914 3.00146 -210.23206 1014.70704
555.0000 -221.20974 -208.41167 12.79808 3.01540 -209.94795 1026.17000
560.0000 -219.33149 -206.06079 13.27069 3.19164 -206.35630 1175.38665
565.0000 -220.17260 -208.40700 11.76559 3.15438 -207.11562 1121.55339
570.0000 -220.19257 -206.86801 13.32456 3.14928 -207.21942 1092.63262
575.0000 -217.70946 -203.30796 14.40150 3.25672 -205.02990 1175.81302
580.0000 -220.01373 -206.51385 13.49989 3.25859 -204.99184 1154.45371
585.0000 -221.40290 -207.97992 13.42298 3.10908 -208.03879 1076.41582
590.0000 -220.28375 -206.81349 13.47026 3.12982 -207.61605 1073.21008
595.0000 -220.18356 -206.30798 13.87558 3.18858 -206.41854 1142.38339
600.0000 -218.44003 -206.65462 11.78541 3.15511 -207.10071 1120.09561
605.0000 -219.03152 -207.91322 11.11830 3.15353 -207.13280 1124.81193
610.0000 -218.45133 -206.09358 12.35774 3.11465 -207.92528 1070.07437
615.0000 -219.18457 -206.79961 12.38496 3.22123 -205.75325 1163.12758
620.0000 -220.41267 -207.38666 13.02601 3.17658 -206.66307 1127.63792
625.0000 -220.31502 -206.62168 13.69333 3.15290 -207.14563 1091.29230
630.0000 -221.87336 -206.86805 15.00531 3.19882 -206.20987 1138.35386
635.0000 -220.50174 -205.27458 15.22716 3.20318 -206.12113 1136.60338
640.0000 -217.64266 -204.72889 12.91376 3.22970 -205.58056 1130.08191
645.0000 -218.97400 -206.75893 12.21507 3.19316 -206.32526 1100.39438
650.0000 -222.05621 -207.22058 14.83563 3.15407 -207.12193 1087.30104
655.0000 -219.63849 -208.90041 10.73808 3.13601 -207.48991 1091.46434
660.0000 -217.29336 -202.48159 14.81178 3.26005 -204.96213 1195.26738
665.0000 -219.05739 -207.32450 11.73289 3.22243 -205.72878 1130.13431
670.0000 -218.90106 -205.84278 13.05828 3.17375 -206.72087 1117.37632
675.0000 -219.03504 -204.54687 14.48817 3.22820 -205.61120 1133.87988
680.0000 -217.02478 -203.92976 13.09502 3.28272 -204.49997 1201.49449
685.0000 -220.04489 -206.66773 13.37716 3.28982 -204.35528 1158.66547
690.0000 -219.85220 -205.65254 14.19967 3.21999 -205.77843 1140.99106
695.0000 -218.73800 -206.65463 12.08337 3.14497 -207.30736 1100.57598
700.0000 -219.51334 -204.28738 15.22596 3.21228 -205.93565 1157.59550
705.0000 -220.36537 -205.61836 14.74701 3.27413 -204.67515 1190.15144
710.0000 -223.03333 -208.92533 14.10799 3.10312 -208.16019 1046.04816
715.0000 -220.72235 -205.98031 14.74204 3.13687 -207.47241 1099.03501
720.0000 -219.28783 -207.08998 12.19785 3.18912 -206.40764 1125.03968
725.0000 -219.16568 -206.79367 12.37201 3.16806 -206.83679 1116.73388
730.0000 -219.52093 -206.95904 12.56189 3.13991 -207.41054 1089.48892
735.0000 -221.36894 -208.01649 13.35245 3.12130 -207.78970 1062.63248
740.0000 -219.10247 -205.09862 14.00384 3.15343 -207.13498 1113.69244
745.0000 -221.48511 -207.45896 14.02615 3.15311 -207.14153 1125.44627
750.0000 -222.09465 -209.71840 12.37625 3.12925 -207.62772 1114.97342
FREEZING PROCESS: loop number 4 T-loop= 1076.0000000000000
main_MD> interactions number 4 at Temperature= 1076.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01065 1.99984 1.50213
force_rgl> df(natom) -3.79681 2.84122 -1.91440
755.0000 -222.79683 -210.05661 12.74022 2.97494 -210.77235 1001.86089
760.0000 -220.70180 -207.12707 13.57473 3.06004 -209.03825 1046.24168
765.0000 -219.37692 -206.17177 13.20515 3.20248 -206.13527 1146.09788
770.0000 -220.53423 -208.00799 12.52624 3.23550 -205.46241 1145.03264
775.0000 -219.63825 -205.52870 14.10955 3.13428 -207.52514 1086.01978
780.0000 -221.40409 -209.87399 11.53011 3.16000 -207.00112 1105.62696
785.0000 -219.42509 -207.72114 11.70395 3.06930 -208.84945 1062.73514
790.0000 -221.53166 -211.30877 10.22289 3.02815 -209.68804 1018.47242
795.0000 -222.37102 -210.85567 11.51534 2.94514 -211.37966 984.87892
800.0000 -222.37720 -209.59073 12.78647 3.01501 -209.95577 1036.56847
805.0000 -221.48163 -208.90612 12.57552 3.00595 -210.14049 1038.75207
810.0000 -223.14344 -210.76396 12.37948 2.97228 -210.82674 1011.87208
815.0000 -219.61503 -206.70083 12.91420 3.11433 -207.93169 1097.96329
820.0000 -219.65723 -208.30156 11.35567 3.17149 -206.76683 1117.34689
825.0000 -219.38163 -206.85445 12.52718 3.09231 -208.38050 1045.58056
830.0000 -222.03095 -207.33394 14.69701 3.15174 -207.16940 1121.72962
835.0000 -220.51274 -208.27528 12.23746 3.07083 -208.81836 1044.79531
840.0000 -221.51558 -208.21409 13.30149 3.14088 -207.39076 1129.74266
845.0000 -219.33497 -207.13833 12.19664 3.11818 -207.85326 1073.37244
850.0000 -222.88343 -211.02265 11.86078 3.03297 -209.58974 1041.38596
855.0000 -221.00579 -208.71484 12.29095 3.02707 -209.70998 1002.41437
860.0000 -221.84572 -210.18867 11.65705 3.06286 -208.98070 1047.04635
865.0000 -221.85002 -208.42404 13.42597 3.08674 -208.49400 1097.12963
870.0000 -220.60474 -206.59532 14.00942 3.20586 -206.06634 1105.06757
875.0000 -220.39987 -208.61695 11.78292 3.16490 -206.90124 1149.78909
880.0000 -220.12332 -208.24460 11.87872 3.12832 -207.64658 1077.21897
885.0000 -221.85171 -209.15298 12.69873 3.09119 -208.40337 1064.94507
890.0000 -223.90035 -210.42464 13.47571 2.99467 -210.37040 1019.30709
895.0000 -221.45676 -209.29177 12.16498 3.00426 -210.17493 995.18269
900.0000 -222.53212 -210.84952 11.68260 3.03943 -209.45815 1029.26068
905.0000 -222.53459 -210.00709 12.52751 2.98875 -210.49095 1028.40765
910.0000 -224.97591 -211.56110 13.41481 2.95412 -211.19666 989.74783
915.0000 -221.66206 -208.78436 12.87769 3.04524 -209.33986 1036.65813
920.0000 -221.15878 -207.82822 13.33056 3.08748 -208.47892 1043.48634
925.0000 -220.43330 -207.67742 12.75588 3.13848 -207.43960 1072.62065
930.0000 -219.40233 -208.70894 10.69339 3.05042 -209.23424 1030.52041
935.0000 -222.16986 -209.15861 13.01124 3.05432 -209.15480 1031.11455
940.0000 -219.63101 -205.68547 13.94554 3.08469 -208.53574 1081.56059
945.0000 -218.41106 -205.96197 12.44909 3.21964 -205.78564 1121.53050
950.0000 -218.15114 -204.23282 13.91831 3.26048 -204.95324 1199.58519
955.0000 -221.51155 -206.40683 15.10472 3.26794 -204.80136 1166.79941
960.0000 -221.40402 -208.87270 12.53132 3.08653 -208.49837 1051.19938
965.0000 -221.08764 -210.64220 10.44544 3.11782 -207.86063 1104.82316
970.0000 -223.02547 -211.61193 11.41354 2.94143 -211.45535 973.96336
975.0000 -222.26983 -211.45707 10.81275 2.97669 -210.73669 989.03329
980.0000 -221.96251 -207.18780 14.77472 3.08921 -208.44359 1064.37547
985.0000 -221.33520 -209.26062 12.07458 3.02063 -209.84139 1005.86010
990.0000 -221.64749 -210.41089 11.23661 3.05021 -209.23847 1043.93293
995.0000 -222.97937 -211.94161 11.03776 2.98661 -210.53459 1005.36547
1000.0000 -224.26529 -212.43077 11.83452 2.86499 -213.01321 935.16250
FREEZING PROCESS: loop number 5 T-loop= 1051.0000000000000
main_MD> interactions number 5 at Temperature= 1051.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61283 -3.64987 0.56109
force_rgl> df(natom) -2.33594 -5.56566 2.16750
1005.0000 -220.12817 -209.23086 10.89731 2.98093 -210.65029 1016.49265
1010.0000 -221.56487 -209.52635 12.03852 3.09597 -208.30589 1080.37457
1015.0000 -221.89191 -208.48576 13.40615 3.06949 -208.84548 1033.36158
1020.0000 -222.45682 -210.13893 12.31789 3.09857 -208.25294 1084.36275
1025.0000 -222.17178 -208.64219 13.52959 2.99578 -210.34782 1008.96921
1030.0000 -222.49560 -210.32407 12.17152 3.06099 -209.01885 1042.59863
1035.0000 -221.56134 -210.41716 11.14418 3.04860 -209.27136 1052.37801
1040.0000 -221.62125 -208.46002 13.16123 2.98807 -210.50495 1017.86986
1045.0000 -222.02798 -211.84212 10.18586 3.02960 -209.65846 1054.41446
1050.0000 -221.65928 -210.29454 11.36474 2.91191 -212.05687 957.31948
1055.0000 -220.50204 -210.63609 9.86595 3.00710 -210.11712 1006.90389
1060.0000 -222.26834 -210.15880 12.10954 2.92742 -211.74088 954.54146
1065.0000 -222.80116 -209.47830 13.32286 3.00028 -210.25606 1005.54534
1070.0000 -220.61595 -208.81048 11.80547 3.10790 -208.06279 1054.16605
1075.0000 -222.25815 -208.72091 13.53725 3.11490 -207.92015 1085.61962
1080.0000 -220.31532 -206.33648 13.97884 3.04624 -209.31936 1055.32403
1085.0000 -219.82078 -204.97145 14.84932 3.25387 -205.08806 1159.14320
1090.0000 -220.43212 -205.62609 14.80603 3.19823 -206.22183 1161.71000
1095.0000 -220.79208 -207.95670 12.83538 3.21807 -205.81751 1153.59993
1100.0000 -224.85389 -210.58846 14.26543 3.09134 -208.40023 1072.86676
1105.0000 -221.72411 -209.30511 12.41900 3.00976 -210.06281 1034.91717
1110.0000 -220.43380 -210.35092 10.08288 3.04738 -209.29610 1050.50945
1115.0000 -222.25021 -211.08587 11.16434 3.02812 -209.68861 1042.89410
1120.0000 -221.68722 -207.98326 13.70396 3.03868 -209.47336 1052.31057
1125.0000 -222.35901 -209.83544 12.52358 2.99649 -210.33317 1008.77285
1130.0000 -220.84948 -209.62589 11.22359 3.05601 -209.12018 1031.96576
1135.0000 -221.47222 -207.25812 14.21410 3.02652 -209.72135 1009.52528
1140.0000 -223.33271 -210.67468 12.65803 3.07541 -208.72487 1053.26170
1145.0000 -222.06091 -210.04389 12.01702 2.94693 -211.34328 971.44229
1150.0000 -219.08590 -204.78456 14.30134 3.15686 -207.06503 1110.44606
1155.0000 -222.31650 -208.17419 14.14230 3.22722 -205.63111 1175.49585
1160.0000 -222.23553 -211.05854 11.17699 3.04738 -209.29620 1055.98319
1165.0000 -221.65310 -210.90560 10.74750 2.97935 -210.68256 999.77715
1170.0000 -222.81720 -209.62714 13.19006 3.01403 -209.97583 1023.15410
1175.0000 -221.72331 -208.94975 12.77356 3.06314 -208.97488 1044.35540
1180.0000 -219.09661 -205.79302 13.30360 3.16507 -206.89776 1127.33724
1185.0000 -222.10504 -209.18676 12.91827 3.08167 -208.59730 1050.10413
1190.0000 -220.03394 -209.69528 10.33866 3.06262 -208.98566 1032.00617
1195.0000 -221.02110 -208.96534 12.05576 3.02670 -209.71752 1014.36689
1200.0000 -221.13234 -208.49711 12.63523 3.10629 -208.09569 1058.88486
1205.0000 -223.80968 -209.73647 14.07322 3.06484 -208.94028 1065.59191
1210.0000 -222.22042 -210.32999 11.89043 2.93789 -211.52745 981.54691
1215.0000 -219.97775 -208.52856 11.44918 3.00204 -210.22024 1004.76672
1220.0000 -222.86587 -210.31561 12.55026 3.03223 -209.60485 1032.63501
1225.0000 -222.86848 -211.15089 11.71759 3.00702 -210.11869 1012.35245
1230.0000 -222.14765 -209.39147 12.75618 2.98308 -210.60649 994.16633
1235.0000 -221.08961 -209.36633 11.72328 3.04566 -209.33115 1049.11053
1240.0000 -221.34540 -208.61958 12.72583 3.08823 -208.46355 1062.84706
1245.0000 -222.61736 -212.20262 10.41473 2.99472 -210.36934 1009.19132
1250.0000 -224.40243 -213.78323 10.61919 2.87944 -212.71859 911.93145
FREEZING PROCESS: loop number 6 T-loop= 1026.0000000000000
main_MD> interactions number 6 at Temperature= 1026.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92597 3.74720 -2.20916
force_rgl> df(natom) 2.78048 1.54579 -0.95470
1255.0000 -224.82332 -212.92333 11.89999 2.90300 -212.23848 947.32905
1260.0000 -223.38348 -210.30520 13.07828 2.96356 -211.00434 984.62100
1265.0000 -218.23301 -207.19556 11.03745 3.02678 -209.71602 986.76000
1270.0000 -220.69104 -207.51249 13.17855 3.18898 -206.41041 1132.22170
1275.0000 -221.49046 -209.23409 12.25637 3.13330 -207.54518 1082.40709
1280.0000 -221.27684 -208.58068 12.69616 3.10767 -208.06747 1068.03397
1285.0000 -224.02935 -211.92062 12.10873 2.95314 -211.21673 993.82526
1290.0000 -222.28977 -211.65080 10.63897 2.91503 -211.99332 938.71683
1295.0000 -221.13523 -209.65651 11.47871 3.00906 -210.07709 1022.47846
1300.0000 -223.08557 -209.91679 13.16879 3.00602 -210.13895 1001.52164
1305.0000 -222.04944 -211.48459 10.56485 3.01466 -209.96296 999.49963
1310.0000 -220.37908 -208.88132 11.49776 3.02086 -209.83669 1001.87192
1315.0000 -222.95635 -209.47000 13.48635 2.99127 -210.43963 1006.31201
1320.0000 -220.66557 -208.62240 12.04317 3.04485 -209.34781 1049.14633
1325.0000 -221.46997 -209.40319 12.06678 3.04494 -209.34590 1030.74286
1330.0000 -221.24861 -210.50795 10.74066 2.98407 -210.58646 994.95010
1335.0000 -223.76570 -211.71795 12.04775 2.96440 -210.98732 964.54258
1340.0000 -223.69243 -211.30566 12.38676 2.90432 -212.21157 961.65423
1345.0000 -223.49048 -211.69633 11.79415 2.96001 -211.07661 971.01386
1350.0000 -223.16834 -211.46713 11.70121 2.94844 -211.31253 981.75617
1355.0000 -223.71778 -212.38642 11.33136 2.88464 -212.61273 956.29625
1360.0000 -222.37127 -212.71792 9.65335 2.94632 -211.35570 968.60252
1365.0000 -222.90248 -210.91952 11.98296 2.96601 -210.95447 1000.04049
1370.0000 -219.89048 -207.94767 11.94281 2.99744 -210.31396 1024.30653
1375.0000 -221.31231 -208.46611 12.84620 3.09724 -208.28009 1063.44293
1380.0000 -222.17720 -209.77727 12.39993 3.00919 -210.07445 1025.00891
1385.0000 -223.17206 -210.88562 12.28644 2.97623 -210.74625 981.17759
1390.0000 -221.84310 -208.78267 13.06043 2.97278 -210.81647 999.34117
1395.0000 -221.73866 -208.44727 13.29138 3.08280 -208.57436 1060.75598
1400.0000 -221.42792 -209.68732 11.74060 3.04351 -209.37512 1069.16550
1405.0000 -223.24828 -209.73362 13.51467 3.03215 -209.60654 1014.90833
1410.0000 -222.02149 -209.33222 12.68928 3.01203 -210.01651 1004.71175
1415.0000 -220.76289 -208.58839 12.17450 3.04861 -209.27108 1046.95206
1420.0000 -222.99685 -210.12608 12.87076 3.06988 -208.83759 1051.93500
1425.0000 -223.18473 -211.00679 12.17794 2.96882 -210.89715 991.13378
1430.0000 -222.02677 -212.44764 9.57913 2.92791 -211.73089 971.55854
1435.0000 -220.48656 -208.86122 11.62534 3.00902 -210.07782 1015.23958
1440.0000 -220.55019 -209.51004 11.04015 3.05556 -209.12938 1056.02609
1445.0000 -221.17138 -208.81859 12.35279 3.10507 -208.12049 1080.77938
1450.0000 -222.33001 -208.63154 13.69848 3.08231 -208.58433 1072.53876
1455.0000 -222.99399 -211.07664 11.91735 2.97617 -210.74739 990.73163
1460.0000 -221.28900 -208.32483 12.96417 3.01142 -210.02892 1002.92830
1465.0000 -221.11535 -208.64261 12.47274 3.04863 -209.27077 1026.07558
1470.0000 -219.33250 -206.14101 13.19149 3.15933 -207.01463 1119.72169
1475.0000 -222.29209 -208.89038 13.40171 3.11161 -207.98715 1090.71925
1480.0000 -222.59319 -211.44064 11.15255 2.96138 -211.04874 992.26315
1485.0000 -223.41967 -210.75530 12.66437 2.98772 -210.51206 979.20368
1490.0000 -223.14719 -211.01184 12.13535 2.92488 -211.79262 974.41304
1495.0000 -221.82620 -212.35904 9.46715 2.95530 -211.17260 970.84858
1500.0000 -223.27018 -211.49655 11.77363 2.96053 -211.06609 974.72146
FREEZING PROCESS: loop number 7 T-loop= 1001.0000000000000
main_MD> interactions number 7 at Temperature= 1001.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.62882 0.44299 0.67177
force_rgl> df(natom) -5.73068 -1.37340 -0.73751
1505.0000 -222.18899 -210.39433 11.79466 3.00333 -210.19382 1016.85757
1510.0000 -223.94407 -213.66024 10.28383 2.87000 -212.91111 932.65062
1515.0000 -225.27648 -213.18256 12.09392 2.87057 -212.89951 936.29724
1520.0000 -223.35498 -211.17124 12.18374 2.90462 -212.20543 955.63442
1525.0000 -222.95466 -211.36315 11.59151 2.99395 -210.38513 1004.87284
1530.0000 -222.55020 -210.93077 11.61943 2.95634 -211.15144 994.64219
1535.0000 -222.41444 -210.36539 12.04905 2.99578 -210.34774 1002.44116
1540.0000 -224.84083 -212.57227 12.26856 2.92240 -211.84320 993.79523
1545.0000 -220.50653 -207.97407 12.53246 2.94260 -211.43150 998.79858
1550.0000 -224.64700 -210.49791 14.14909 3.09267 -208.37319 1056.01481
1555.0000 -223.45918 -211.88610 11.57307 2.91097 -212.07608 963.74453
1560.0000 -223.38885 -213.88364 9.50521 2.84176 -213.48664 914.10435
1565.0000 -224.67590 -214.70912 9.96678 2.78445 -214.65443 875.25046
1570.0000 -224.32722 -210.78882 13.53840 2.91380 -212.01853 969.57714
1575.0000 -223.09047 -210.85152 12.23896 2.97863 -210.69733 1010.48943
1580.0000 -221.99022 -209.44884 12.54138 2.97383 -210.79509 979.09812
1585.0000 -220.75261 -208.18934 12.56328 3.02333 -209.78634 1030.42802
1590.0000 -222.58160 -209.39012 13.19148 3.07384 -208.75685 1052.92385
1595.0000 -222.70614 -212.17477 10.53136 2.96472 -210.98078 1002.23425
1600.0000 -221.53546 -210.70420 10.83126 2.94509 -211.38086 972.70016
1605.0000 -222.28168 -211.32728 10.95440 2.93592 -211.56771 962.63366
1610.0000 -223.79826 -212.16444 11.63382 2.98577 -210.55165 1033.05146
1615.0000 -223.05876 -211.95180 11.10697 2.90596 -212.17829 918.75414
1620.0000 -222.86306 -211.03676 11.82631 2.91949 -211.90239 979.87794
1625.0000 -221.83858 -210.80860 11.02998 2.94433 -211.39630 978.87952
1630.0000 -222.64610 -212.04416 10.60195 2.96697 -210.93481 1004.71173
1635.0000 -223.20989 -210.62375 12.58614 2.97162 -210.84004 993.27024
1640.0000 -222.17365 -209.98265 12.19100 2.94635 -211.35502 986.30062
1645.0000 -224.78349 -214.62337 10.16012 2.92222 -211.84688 971.98120
1650.0000 -222.96567 -211.52636 11.43930 2.89036 -212.49606 937.89588
1655.0000 -223.91638 -213.62150 10.29488 2.90371 -212.22407 965.57132
1660.0000 -225.12423 -212.75171 12.37251 2.85808 -213.15391 958.86105
1665.0000 -223.19301 -212.38359 10.80942 2.88109 -212.68501 945.82649
1670.0000 -223.14657 -212.20345 10.94312 2.92423 -211.80593 949.08518
1675.0000 -222.24863 -212.35961 9.88902 2.92065 -211.87894 938.84755
1680.0000 -221.81995 -210.30432 11.51562 2.94702 -211.34143 957.47529
1685.0000 -222.77849 -210.76776 12.01073 2.99953 -210.27129 1016.02343
1690.0000 -223.93307 -212.00489 11.92818 2.93438 -211.59893 960.53086
1695.0000 -221.82227 -210.82602 10.99625 2.95215 -211.23697 986.62926
1700.0000 -224.62335 -212.37493 12.24841 2.97075 -210.85789 1031.26106
1705.0000 -225.14250 -213.39747 11.74503 2.92932 -211.70217 1006.11880
1710.0000 -221.91036 -208.90498 13.00538 2.95972 -211.08263 979.00176
1715.0000 -223.39956 -213.76120 9.63837 2.99990 -210.26381 1005.63029
1720.0000 -223.89635 -212.29710 11.59925 2.81673 -213.99671 918.82056
1725.0000 -223.47706 -212.63063 10.84644 2.88852 -212.53354 963.27417
1730.0000 -223.05476 -212.68160 10.37316 2.88176 -212.67140 932.53349
1735.0000 -224.03796 -211.35146 12.68650 2.91788 -211.93525 969.14300
1740.0000 -220.70070 -209.07326 11.62744 2.97647 -210.74124 989.89392
1745.0000 -222.96182 -209.98653 12.97529 3.03633 -209.52127 1042.07912
1750.0000 -222.29491 -210.80113 11.49377 2.96599 -210.95487 968.85193
FREEZING PROCESS: loop number 8 T-loop= 976.00000000000000
main_MD> interactions number 8 at Temperature= 976.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56309 -1.95773 0.31870
force_rgl> df(natom) -1.55860 0.58626 0.67397
1755.0000 -224.31877 -211.36537 12.95340 2.99476 -210.36858 996.50230
1760.0000 -221.79705 -212.16251 9.63454 2.98576 -210.55198 999.17222
1765.0000 -223.28450 -212.38278 10.90172 2.90794 -212.13794 948.67473
1770.0000 -220.79503 -209.02168 11.77335 2.97063 -210.86037 1016.90708
1775.0000 -225.44313 -213.81058 11.63255 2.98935 -210.47878 1005.71517
1780.0000 -225.68066 -215.12392 10.55674 2.77142 -214.92005 877.55031
1785.0000 -225.59407 -214.95903 10.63504 2.77088 -214.93108 887.58654
1790.0000 -224.56292 -214.02244 10.54048 2.82075 -213.91473 914.11565
1795.0000 -225.03988 -212.49945 12.54043 2.81843 -213.96205 926.04852
1800.0000 -224.41097 -211.29330 13.11767 2.92444 -211.80153 983.89094
1805.0000 -223.59451 -209.90088 13.69363 3.02319 -209.78912 1040.48415
1810.0000 -221.76385 -208.62630 13.13755 3.04763 -209.29111 1038.42588
1815.0000 -221.19443 -209.44521 11.74922 3.03540 -209.54023 1032.35825
1820.0000 -222.83747 -210.41985 12.41762 3.01507 -209.95461 996.30502
1825.0000 -223.57361 -213.37469 10.19893 2.91817 -211.92942 959.69868
1830.0000 -222.95820 -211.94032 11.01788 2.94235 -211.43656 982.51914
1835.0000 -219.79137 -207.82742 11.96395 3.01339 -209.98893 1015.35227
1840.0000 -221.96870 -210.68621 11.28249 3.00910 -210.07621 1010.07824
1845.0000 -222.04006 -210.22264 11.81742 3.00103 -210.24072 1005.64787
1850.0000 -220.41700 -211.15989 9.25711 2.92493 -211.79160 950.04777
1855.0000 -220.69901 -208.69298 12.00604 2.97912 -210.68726 982.64959
1860.0000 -223.00874 -209.44807 13.56067 3.04958 -209.25125 1030.48052
1865.0000 -223.09783 -211.09230 12.00553 2.93271 -211.63315 969.67223
1870.0000 -223.24645 -212.90235 10.34410 2.91713 -211.95066 958.96454
1875.0000 -224.09814 -213.32397 10.77417 2.87052 -212.90037 946.94893
1880.0000 -225.67333 -214.07351 11.59982 2.84855 -213.34829 920.44173
1885.0000 -222.45325 -211.33652 11.11673 2.83293 -213.66647 904.73943
1890.0000 -221.43414 -208.21185 13.22229 2.99602 -210.34289 988.07610
1895.0000 -223.75259 -210.74902 13.00357 3.02847 -209.68163 1024.80036
1900.0000 -222.24415 -210.48128 11.76287 3.04175 -209.41082 1047.70354
1905.0000 -224.53851 -212.39515 12.14336 2.96380 -210.99942 983.58706
1910.0000 -223.67782 -212.47074 11.20708 2.92174 -211.85671 980.51805
1915.0000 -225.73921 -214.21086 11.52835 2.84349 -213.45134 921.58430
1920.0000 -223.85054 -212.89151 10.95903 2.86258 -213.06230 927.90644
1925.0000 -224.40572 -213.19366 11.21206 2.90482 -212.20149 953.79949
1930.0000 -224.53603 -213.34337 11.19266 2.88281 -212.64998 959.22079
1935.0000 -222.67007 -210.60454 12.06553 2.91298 -212.03516 949.98213
1940.0000 -221.57367 -209.93063 11.64303 2.98888 -210.48829 996.37956
1945.0000 -224.10282 -214.00696 10.09586 2.95167 -211.24660 967.83415
1950.0000 -224.07914 -214.98140 9.09774 2.82267 -213.87567 877.71646
1955.0000 -223.36420 -212.56240 10.80180 2.78813 -214.57957 854.33607
1960.0000 -222.47216 -210.97843 11.49374 2.92151 -211.86133 965.98529
1965.0000 -223.10815 -212.15992 10.94823 2.91881 -211.91635 973.54622
1970.0000 -223.71380 -212.40793 11.30587 2.92106 -211.87052 976.80100
1975.0000 -223.72130 -213.73901 9.98229 2.91324 -212.02982 951.80088
1980.0000 -224.25236 -213.58371 10.66865 2.80712 -214.19249 888.91207
1985.0000 -222.04237 -210.88107 11.16130 2.96257 -211.02460 996.11344
1990.0000 -224.06779 -210.49234 13.57545 2.94704 -211.34099 989.96976
1995.0000 -222.54346 -212.72902 9.81444 2.93217 -211.64406 951.45579
2000.0000 -224.48328 -213.49782 10.98546 2.83986 -213.52538 925.75290
FREEZING PROCESS: loop number 9 T-loop= 951.00000000000000
main_MD> interactions number 9 at Temperature= 951.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.71854 -1.65928 1.94519
force_rgl> df(natom) 0.78350 5.72974 -2.18881
2005.0000 -224.21903 -212.29724 11.92179 2.82099 -213.90976 908.32865
2010.0000 -223.55625 -213.23119 10.32506 2.90456 -212.20678 970.07551
2015.0000 -223.73752 -212.06824 11.66928 2.89408 -212.42041 917.24105
2020.0000 -221.62636 -209.79187 11.83449 2.93770 -211.53135 958.71342
2025.0000 -221.40751 -210.71056 10.69695 3.01771 -209.90085 999.49577
2030.0000 -224.90755 -213.52609 11.38146 2.93166 -211.65451 969.97574
2035.0000 -222.27885 -211.05949 11.21935 2.88582 -212.58857 955.44752
2040.0000 -223.07043 -212.73190 10.33853 2.95299 -211.21967 975.47660
2045.0000 -224.90933 -212.96753 11.94179 2.84418 -213.43733 921.37989
2050.0000 -224.22547 -214.84438 9.38109 2.84637 -213.39264 922.88827
2055.0000 -224.84067 -214.31799 10.52268 2.83679 -213.58785 924.40208
2060.0000 -224.99940 -213.95283 11.04657 2.81671 -213.99718 876.73062
2065.0000 -223.62605 -211.67141 11.95464 2.85574 -213.20177 939.47486
2070.0000 -223.79419 -214.02182 9.77237 2.89731 -212.35446 968.46714
2075.0000 -222.76105 -211.92138 10.83967 2.86469 -213.01933 937.41427
2080.0000 -222.76596 -211.56161 11.20435 2.91254 -212.04421 933.68189
2085.0000 -222.06688 -210.31753 11.74936 2.96416 -210.99215 999.12830
2090.0000 -223.16178 -212.04978 11.11200 2.95428 -211.19341 985.39047
2095.0000 -222.76961 -211.88166 10.88795 2.96075 -211.06164 964.55981
2100.0000 -222.01619 -210.40460 11.61159 2.92675 -211.75455 963.04320
2105.0000 -225.03327 -213.62680 11.40647 2.93178 -211.65192 987.04469
2110.0000 -221.46047 -209.43157 12.02890 3.00202 -210.22065 1026.95622
2115.0000 -224.34966 -213.40273 10.94693 2.90872 -212.12200 967.58386
2120.0000 -224.77501 -214.01357 10.76145 2.83005 -213.72531 915.95992
2125.0000 -222.76090 -212.18699 10.57392 2.93740 -211.53748 970.60086
2130.0000 -223.85312 -213.04750 10.80562 2.90918 -212.11256 967.53300
2135.0000 -222.59969 -210.85023 11.74946 2.91827 -211.92735 964.83371
2140.0000 -221.85581 -209.51950 12.33631 2.99122 -210.44073 988.62934
2145.0000 -222.38355 -212.89046 9.49309 2.93223 -211.64280 953.72312
2150.0000 -224.11349 -211.90304 12.21045 2.84187 -213.48441 905.79744
2155.0000 -224.53038 -214.29208 10.23830 2.85850 -213.14542 904.78946
2160.0000 -224.26041 -212.95566 11.30475 2.88643 -212.57622 953.22228
2165.0000 -224.38754 -212.85214 11.53540 2.89103 -212.48251 962.43191
2170.0000 -223.28563 -212.94956 10.33607 2.81432 -214.04585 913.27764
2175.0000 -223.49465 -213.62438 9.87026 2.85298 -213.25784 913.15364
2180.0000 -223.30618 -211.97258 11.33361 2.87063 -212.89822 928.09153
2185.0000 -225.54038 -213.65802 11.88237 2.89633 -212.37445 965.53926
2190.0000 -225.03168 -214.63679 10.39489 2.81230 -214.08699 901.26679
2195.0000 -224.58235 -212.85939 11.72295 2.86927 -212.92589 931.26499
2200.0000 -224.99159 -213.39471 11.59688 2.85838 -213.14782 910.03368
2205.0000 -222.14781 -211.82022 10.32758 2.88077 -212.69157 918.23049
2210.0000 -223.71212 -211.69859 12.01352 2.92363 -211.81810 943.01818
2215.0000 -223.04783 -212.01916 11.02867 2.87749 -212.75837 945.19688
2220.0000 -223.31620 -212.17279 11.14340 2.94583 -211.36574 985.13160
2225.0000 -223.81925 -210.53430 13.28495 2.89205 -212.46166 968.17824
2230.0000 -220.98017 -211.31760 9.66256 2.96497 -210.97570 985.71100
2235.0000 -222.92575 -210.47284 12.45291 2.98363 -210.59535 991.68577
2240.0000 -222.54132 -211.94879 10.59253 2.99794 -210.30378 990.99510
2245.0000 -223.01201 -212.09380 10.91821 2.90982 -212.09948 977.28865
2250.0000 -221.83217 -210.17917 11.65300 2.98428 -210.58208 1003.30399
FREEZING PROCESS: loop number 10 T-loop= 926.00000000000000
main_MD> interactions number 10 at Temperature= 926.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.73290 2.71586 1.84209
force_rgl> df(natom) -1.01051 -2.70672 1.74780
2255.0000 -223.25631 -212.04782 11.20849 2.96152 -211.04591 977.36176
2260.0000 -224.13726 -212.08832 12.04894 2.89342 -212.43379 918.29296
2265.0000 -223.44397 -213.79558 9.64840 2.84434 -213.43394 889.38154
2270.0000 -225.12126 -214.71396 10.40730 2.83255 -213.67428 894.22520
2275.0000 -224.48522 -214.00997 10.47525 2.79222 -214.49625 897.91598
2280.0000 -223.60609 -212.17202 11.43407 2.87769 -212.75428 939.57295
2285.0000 -225.00777 -214.06207 10.94570 2.82481 -213.83207 927.28892
2290.0000 -223.77161 -214.54257 9.22904 2.85757 -213.16432 930.11872
2295.0000 -225.51829 -213.99274 11.52555 2.76704 -215.00927 880.72686
2300.0000 -224.30308 -212.24123 12.06185 2.83441 -213.63640 911.06401
2305.0000 -223.81954 -212.05074 11.76880 2.90611 -212.17521 953.92122
2310.0000 -223.70019 -212.43693 11.26326 2.89936 -212.31262 980.97512
2315.0000 -223.97319 -213.97876 9.99443 2.84879 -213.34331 934.97002
2320.0000 -224.03864 -214.09343 9.94521 2.81832 -213.96424 906.79508
2325.0000 -226.06887 -214.15613 11.91274 2.77465 -214.85418 869.31080
2330.0000 -224.56360 -213.39802 11.16558 2.87523 -212.80450 941.47401
2335.0000 -224.59433 -214.43645 10.15788 2.83587 -213.60665 886.44867
2340.0000 -224.99648 -213.87322 11.12326 2.77347 -214.87832 882.01080
2345.0000 -225.09888 -214.80089 10.29799 2.77768 -214.79245 878.77333
2350.0000 -223.38031 -212.66620 10.71410 2.82552 -213.81763 882.08951
2355.0000 -223.72125 -213.52075 10.20050 2.86432 -213.02678 921.78565
2360.0000 -225.50754 -212.63396 12.87358 2.85044 -213.30978 912.01535
2365.0000 -222.98219 -212.42181 10.56038 2.89288 -212.44470 954.32678
2370.0000 -222.52452 -212.06437 10.46015 2.94401 -211.40279 956.16548
2375.0000 -223.31177 -212.84427 10.46751 2.92799 -211.72931 931.79303
2380.0000 -224.57138 -211.58662 12.98475 2.91324 -212.02995 949.87338
2385.0000 -219.69959 -207.48247 12.21712 3.02855 -209.67980 1032.61438
2390.0000 -220.87948 -207.73771 13.14177 3.14679 -207.27028 1097.16859
2395.0000 -225.03682 -212.82076 12.21606 2.97129 -210.84686 981.35980
2400.0000 -223.52878 -213.75191 9.77687 2.80971 -214.13972 866.38121
2405.0000 -223.75265 -213.68420 10.06844 2.88726 -212.55923 925.04065
2410.0000 -223.84963 -213.06435 10.78527 2.81417 -214.04885 899.76710
2415.0000 -222.89387 -211.64910 11.24477 2.86576 -212.99737 913.28534
2420.0000 -221.54659 -210.55942 10.98717 2.93553 -211.57554 957.67986
2425.0000 -222.26096 -211.22406 11.03690 2.94864 -211.30836 968.37135
2430.0000 -223.19727 -211.22426 11.97301 2.90778 -212.14102 932.76388
2435.0000 -224.44208 -212.52640 11.91567 2.93691 -211.54738 990.38464
2440.0000 -223.13743 -212.24266 10.89476 2.90320 -212.23447 951.81988
2445.0000 -225.01092 -214.17919 10.83173 2.82799 -213.76722 902.68624
2450.0000 -224.46948 -211.83408 12.63541 2.86839 -212.94383 913.06911
2455.0000 -224.48374 -212.81211 11.67163 2.92614 -211.76701 981.70204
2460.0000 -225.62495 -215.16759 10.45736 2.82226 -213.88395 911.04012
2465.0000 -225.77473 -215.63917 10.13556 2.71411 -216.08794 809.45156
2470.0000 -223.63993 -213.42953 10.21040 2.75937 -215.16558 855.76639
2475.0000 -225.35518 -214.56767 10.78751 2.81584 -214.01486 878.85573
2480.0000 -224.93679 -213.11570 11.82109 2.81150 -214.10332 904.41027
2485.0000 -225.62514 -215.27580 10.34935 2.76691 -215.01206 862.24310
2490.0000 -225.74292 -215.19685 10.54607 2.75368 -215.28165 872.17766
2495.0000 -225.06408 -213.52055 11.54353 2.83314 -213.66230 921.01806
2500.0000 -223.79301 -213.06002 10.73299 2.87257 -212.85873 944.98351
FREEZING PROCESS: loop number 11 T-loop= 901.00000000000000
main_MD> interactions number 11 at Temperature= 901.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15764 3.45900 -0.38422
force_rgl> df(natom) -4.59419 7.76253 4.58819
2505.0000 -223.52830 -214.01779 9.51051 2.83345 -213.65595 926.61761
2510.0000 -225.32589 -214.91988 10.40601 2.81704 -213.99032 889.21075
2515.0000 -224.49403 -215.61935 8.87468 2.78304 -214.68331 894.99156
2520.0000 -225.67632 -214.30888 11.36743 2.73895 -215.58183 876.41268
2525.0000 -223.67474 -213.21822 10.45651 2.79839 -214.37051 889.32498
2530.0000 -224.92894 -214.91189 10.01705 2.83079 -213.71009 905.61671
2535.0000 -224.44688 -215.24595 9.20093 2.78315 -214.68099 871.29781
2540.0000 -226.27411 -215.09220 11.18191 2.80368 -214.26254 911.93737
2545.0000 -226.19235 -214.35586 11.83649 2.75386 -215.27789 877.20814
2550.0000 -225.08835 -216.13387 8.95448 2.75448 -215.26521 864.88060
2555.0000 -224.23789 -213.92807 10.30981 2.79345 -214.47112 886.74810
2560.0000 -223.91015 -212.71362 11.19652 2.88025 -212.70217 956.15215
2565.0000 -224.51197 -213.55029 10.96169 2.81777 -213.97545 912.64054
2570.0000 -223.86167 -214.04634 9.81534 2.84648 -213.39045 924.60130
2575.0000 -224.66979 -213.65749 11.01230 2.81980 -213.93413 908.79419
2580.0000 -225.51027 -214.75940 10.75087 2.75306 -215.29413 890.39956
2585.0000 -225.23569 -215.47028 9.76542 2.74355 -215.48808 867.58607
2590.0000 -225.26588 -213.25625 12.00963 2.77395 -214.86850 885.90626
2595.0000 -223.56691 -213.27314 10.29377 2.80328 -214.27083 909.07845
2600.0000 -224.49279 -214.93389 9.55890 2.79419 -214.45597 873.64448
2605.0000 -224.79197 -215.18489 9.60708 2.76274 -215.09705 868.03722
2610.0000 -226.20285 -215.33433 10.86852 2.73371 -215.68855 871.56523
2615.0000 -226.34207 -215.61196 10.73011 2.74109 -215.53810 836.52838
2620.0000 -225.11136 -214.68152 10.42984 2.76138 -215.12472 858.17627
2625.0000 -223.85971 -214.57336 9.28634 2.83608 -213.60228 894.15712
2630.0000 -224.74949 -212.53104 12.21845 2.82315 -213.86585 897.69208
2635.0000 -226.02322 -212.87921 13.14401 2.85369 -213.24351 928.92684
2640.0000 -224.04550 -213.52802 10.51748 2.86770 -212.95785 917.43773
2645.0000 -223.95627 -213.42501 10.53127 2.83509 -213.62241 925.11045
2650.0000 -224.39223 -214.65727 9.73496 2.77876 -214.77055 891.74365
2655.0000 -225.10786 -214.50001 10.60786 2.77839 -214.77809 885.80082
2660.0000 -223.69917 -213.19333 10.50584 2.80044 -214.32868 884.69020
2665.0000 -223.22202 -213.18220 10.03982 2.82521 -213.82387 909.57641
2670.0000 -225.91966 -215.57023 10.34943 2.82470 -213.83419 903.22740
2675.0000 -225.09527 -217.57166 7.52361 2.68121 -216.75841 820.34298
2680.0000 -225.66605 -213.91893 11.74711 2.71298 -216.11105 819.67429
2685.0000 -224.01407 -213.46195 10.55212 2.82415 -213.84545 896.51685
2690.0000 -223.32650 -212.72990 10.59660 2.89473 -212.40699 927.06607
2695.0000 -224.78789 -215.41124 9.37665 2.82727 -213.78181 925.74166
2700.0000 -226.83073 -215.12996 11.70077 2.75108 -215.33467 846.72047
2705.0000 -226.54592 -215.33637 11.20955 2.76920 -214.96531 867.02243
2710.0000 -224.15243 -215.15456 8.99787 2.73598 -215.64225 840.10217
2715.0000 -225.52438 -215.98899 9.53539 2.73762 -215.60890 849.77545
2720.0000 -226.23732 -215.07302 11.16430 2.70244 -216.32581 833.99626
2725.0000 -225.58800 -216.47350 9.11450 2.70574 -216.25849 846.56047
2730.0000 -225.65385 -216.12752 9.52634 2.70363 -216.30159 821.59850
2735.0000 -224.20141 -214.01081 10.19060 2.78715 -214.59958 850.86524
2740.0000 -224.28851 -214.79330 9.49520 2.73692 -215.62305 882.84116
2745.0000 -225.02256 -214.59447 10.42809 2.75964 -215.16013 865.19531
2750.0000 -224.07271 -214.12129 9.95141 2.81321 -214.06848 892.19023
FREEZING PROCESS: loop number 12 T-loop= 876.00000000000000
main_MD> interactions number 12 at Temperature= 876.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.18586 -0.16790 3.40622
force_rgl> df(natom) -1.11615 1.10458 0.87172
2755.0000 -223.99616 -213.00270 10.99346 2.81251 -214.08270 887.30501
2760.0000 -223.67876 -213.66399 10.01477 2.87609 -212.78697 935.01836
2765.0000 -225.20283 -212.46730 12.73553 2.81697 -213.99183 911.80482
2770.0000 -224.61440 -212.55773 12.05667 2.85181 -213.28166 933.90198
2775.0000 -226.04004 -215.42211 10.61793 2.75848 -215.18376 872.35915
2780.0000 -225.56644 -213.10944 12.45699 2.81595 -214.01251 895.99607
2785.0000 -225.11654 -214.30007 10.81647 2.82709 -213.78558 918.74872
2790.0000 -223.27307 -213.76324 9.50983 2.81476 -214.03684 893.57580
2795.0000 -224.12186 -212.87449 11.24736 2.85332 -213.25094 937.05038
2800.0000 -225.21941 -215.02740 10.19201 2.83115 -213.70281 914.31870
2805.0000 -224.97683 -214.10558 10.87125 2.75496 -215.25554 850.25327
2810.0000 -222.92106 -212.18173 10.73933 2.83657 -213.59242 919.98345
2815.0000 -225.76036 -215.35752 10.40285 2.78541 -214.63489 872.59260
2820.0000 -222.81601 -212.39844 10.41757 2.81253 -214.08233 912.78116
2825.0000 -223.49621 -214.04939 9.44681 2.87189 -212.87253 920.03269
2830.0000 -224.65855 -214.01730 10.64125 2.77539 -214.83923 875.00284
2835.0000 -224.47499 -212.61933 11.85567 2.82777 -213.77165 930.62151
2840.0000 -223.75757 -211.99891 11.75866 2.86202 -213.07375 957.29854
2845.0000 -224.60086 -212.90159 11.69927 2.88852 -212.53359 965.70902
2850.0000 -226.47824 -216.27067 10.20757 2.83357 -213.65346 923.65446
2855.0000 -224.57825 -215.11106 9.46720 2.69206 -216.53739 818.71763
2860.0000 -223.85851 -211.64721 12.21129 2.77278 -214.89234 863.01510
2865.0000 -223.89195 -213.52978 10.36217 2.89116 -212.47977 954.06185
2870.0000 -224.47212 -212.76031 11.71181 2.83096 -213.70672 915.98851
2875.0000 -224.52963 -215.90511 8.62452 2.79849 -214.36834 902.94221
2880.0000 -227.15890 -217.02703 10.13187 2.68806 -216.61885 815.45893
2885.0000 -224.77696 -213.71714 11.05982 2.74543 -215.44971 854.09154
2890.0000 -225.62996 -215.04622 10.58374 2.82951 -213.73626 910.89091
2895.0000 -225.96616 -217.26143 8.70474 2.69193 -216.54012 807.06504
2900.0000 -225.25722 -215.51578 9.74144 2.70048 -216.36587 829.95900
2905.0000 -224.17129 -214.76618 9.40511 2.73319 -215.69921 842.88632
2910.0000 -224.13574 -213.00970 11.12604 2.83776 -213.56819 905.53627
2915.0000 -225.36546 -214.22166 11.14380 2.83533 -213.61765 913.02386
2920.0000 -225.31314 -214.74247 10.57066 2.80475 -214.24091 887.44457
2925.0000 -225.35563 -214.69458 10.66105 2.78287 -214.68678 882.23581
2930.0000 -226.56039 -214.21433 12.34606 2.79547 -214.43000 892.82656
2935.0000 -226.36704 -216.09693 10.27011 2.76161 -215.11999 868.72659
2940.0000 -224.26119 -211.25016 13.01103 2.86074 -213.09972 933.60904
2945.0000 -224.18054 -213.67953 10.50101 2.88078 -212.69132 924.93601
2950.0000 -225.89290 -215.32820 10.56470 2.76251 -215.10169 877.02333
2955.0000 -228.15657 -217.59249 10.56408 2.68203 -216.74187 818.70473
2960.0000 -224.55955 -214.17261 10.38694 2.71659 -216.03739 844.72325
2965.0000 -224.20717 -213.76530 10.44187 2.81552 -214.02132 916.66161
2970.0000 -224.44538 -212.55319 11.89218 2.84815 -213.35642 937.85928
2975.0000 -224.23625 -213.59620 10.64005 2.87750 -212.75820 937.48305
2980.0000 -225.85093 -215.90625 9.94468 2.75357 -215.28380 871.41320
2985.0000 -225.55697 -216.02259 9.53438 2.74730 -215.41167 856.36488
2990.0000 -226.32393 -216.33199 9.99194 2.66156 -217.15890 820.91006
2995.0000 -226.97636 -216.96465 10.01171 2.70973 -216.17734 840.60061
3000.0000 -225.59338 -215.97870 9.61469 2.72647 -215.83616 874.85668
FREEZING PROCESS: loop number 13 T-loop= 851.00000000000000
main_MD> interactions number 13 at Temperature= 851.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56660 -1.68266 -4.14078
force_rgl> df(natom) 0.89063 0.82715 -1.10833
3005.0000 -226.71714 -217.42238 9.29476 2.70722 -216.22845 845.52818
3010.0000 -224.33939 -215.18366 9.15574 2.67563 -216.87212 830.80379
3015.0000 -224.19165 -214.73860 9.45305 2.73543 -215.65359 831.21185
3020.0000 -227.11873 -217.99723 9.12151 2.69846 -216.40692 830.84886
3025.0000 -227.68795 -216.57953 11.10843 2.69286 -216.52107 820.31879
3030.0000 -226.08736 -215.02215 11.06521 2.75368 -215.28157 863.01391
3035.0000 -224.84900 -214.63336 10.21564 2.72563 -215.85313 847.82509
3040.0000 -224.08061 -214.39554 9.68507 2.80808 -214.17292 877.48759
3045.0000 -226.96719 -217.12061 9.84658 2.74450 -215.46864 837.50324
3050.0000 -226.86271 -217.72784 9.13487 2.62256 -217.95382 786.68837
3055.0000 -225.75399 -213.70051 12.05349 2.74405 -215.47786 869.51405
3060.0000 -224.02292 -211.85070 12.17222 2.84763 -213.36685 895.88048
3065.0000 -226.66725 -215.00983 11.65742 2.86446 -213.02402 951.36230
3070.0000 -226.81353 -216.97772 9.83581 2.73291 -215.70482 859.63723
3075.0000 -226.81389 -217.63832 9.17557 2.69543 -216.46871 822.95488
3080.0000 -226.77018 -218.14228 8.62790 2.58909 -218.63591 744.17861
3085.0000 -225.77110 -217.24118 8.52992 2.66961 -216.99492 800.69676
3090.0000 -226.35259 -216.20527 10.14732 2.66210 -217.14802 804.86998
3095.0000 -226.44069 -215.35472 11.08597 2.74282 -215.50298 846.91841
3100.0000 -225.93978 -215.16811 10.77167 2.80805 -214.17351 875.80028
3105.0000 -225.30415 -215.24174 10.06241 2.79312 -214.47779 874.97768
3110.0000 -222.21199 -211.79981 10.41217 2.84927 -213.33346 932.37433
3115.0000 -225.75424 -214.48736 11.26688 2.83874 -213.54816 907.29767
3120.0000 -224.75085 -214.27985 10.47101 2.77499 -214.84741 893.38333
3125.0000 -225.81496 -215.47783 10.33712 2.75761 -215.20154 854.50324
3130.0000 -224.48177 -213.72759 10.75418 2.82290 -213.87087 882.55115
3135.0000 -225.56372 -215.76146 9.80225 2.76006 -215.15149 859.17459
3140.0000 -224.69672 -213.93466 10.76206 2.75228 -215.31019 841.35071
3145.0000 -224.02098 -215.49004 8.53094 2.77978 -214.74971 871.45519
3150.0000 -227.10387 -216.46759 10.63629 2.69462 -216.48521 807.46841
3155.0000 -226.60101 -216.44941 10.15160 2.69957 -216.38435 807.76468
3160.0000 -227.60502 -217.31938 10.28564 2.66669 -217.05442 795.61166
3165.0000 -225.68250 -215.62227 10.06024 2.68201 -216.74210 818.46864
3170.0000 -225.61817 -215.21301 10.40516 2.77470 -214.85326 893.54927
3175.0000 -227.14968 -217.57930 9.57038 2.68797 -216.62068 815.47483
3180.0000 -225.07489 -216.82605 8.24884 2.63971 -217.60425 792.39694
3185.0000 -224.39331 -214.86333 9.52999 2.69450 -216.48768 837.31686
3190.0000 -225.73931 -215.33622 10.40310 2.77960 -214.75329 841.56654
3195.0000 -224.45246 -213.66620 10.78625 2.77762 -214.79364 868.09673
3200.0000 -224.80300 -214.62300 10.18000 2.81824 -213.96581 907.06609
3205.0000 -225.37047 -215.08172 10.28875 2.76534 -215.04393 886.86805
3210.0000 -224.90149 -214.73937 10.16212 2.78765 -214.58937 873.41587
3215.0000 -226.01705 -214.51702 11.50004 2.82131 -213.90330 919.74144
3220.0000 -225.87995 -215.53696 10.34299 2.74121 -215.53573 856.86149
3225.0000 -225.97273 -215.38184 10.59088 2.76358 -215.07983 885.90093
3230.0000 -226.26148 -217.17607 9.08542 2.73873 -215.58632 854.12336
3235.0000 -226.50875 -216.41317 10.09558 2.75226 -215.31048 862.29706
3240.0000 -225.10582 -216.39782 8.70800 2.71430 -216.08414 824.88201
3245.0000 -225.46048 -215.54354 9.91694 2.71730 -216.02304 819.91777
3250.0000 -225.49598 -215.79459 9.70139 2.72979 -215.76848 884.07003
FREEZING PROCESS: loop number 14 T-loop= 826.00000000000000
main_MD> interactions number 14 at Temperature= 826.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76640 -1.25759 1.07916
force_rgl> df(natom) 2.15261 1.23470 1.81067
3255.0000 -229.12842 -219.43897 9.68945 2.65705 -217.25085 833.10810
3260.0000 -228.51525 -220.35289 8.16237 2.56265 -219.17476 746.14483
3265.0000 -226.93071 -217.88841 9.04230 2.56871 -219.05109 738.54522
3270.0000 -227.48222 -217.98607 9.49615 2.64664 -217.46306 799.98335
3275.0000 -226.39936 -215.77523 10.62412 2.66600 -217.06841 806.53545
3280.0000 -225.49791 -214.52418 10.97373 2.76139 -215.12456 876.04131
3285.0000 -224.86313 -216.23578 8.62735 2.79907 -214.35665 870.75765
3290.0000 -225.61552 -216.57175 9.04377 2.68270 -216.72820 805.54949
3295.0000 -226.59680 -217.92969 8.66711 2.63347 -217.73149 772.56975
3300.0000 -226.16547 -216.35150 9.81397 2.66087 -217.17302 821.49294
3305.0000 -224.52989 -214.88597 9.64392 2.74855 -215.38611 833.52005
3310.0000 -227.38111 -218.05046 9.33065 2.69207 -216.53715 840.15766
3315.0000 -225.97476 -216.20356 9.77120 2.64317 -217.53374 793.04146
3320.0000 -226.31521 -216.49932 9.81589 2.67927 -216.79807 819.74644
3325.0000 -226.44014 -216.31770 10.12244 2.66515 -217.08569 805.87903
3330.0000 -224.89034 -215.54028 9.35006 2.74897 -215.37750 863.63358
3335.0000 -227.52345 -216.13154 11.39192 2.69462 -216.48522 830.47314
3340.0000 -225.05656 -216.03381 9.02276 2.68440 -216.69357 808.04422
3345.0000 -226.54208 -216.63231 9.90976 2.71642 -216.04083 850.03451
3350.0000 -225.54950 -216.23972 9.30978 2.69840 -216.40820 816.78203
3355.0000 -225.27615 -214.75686 10.51930 2.76452 -215.06064 890.55679
3360.0000 -226.31912 -216.73747 9.58165 2.71389 -216.09254 845.01914
3365.0000 -226.13022 -216.56720 9.56302 2.70782 -216.21626 846.34739
3370.0000 -224.18676 -214.36758 9.81918 2.70129 -216.34917 835.30211
3375.0000 -225.72583 -215.73146 9.99437 2.73395 -215.68358 839.56397
3380.0000 -227.43894 -217.58144 9.85750 2.70240 -216.32663 849.00719
3385.0000 -227.87547 -218.87981 8.99566 2.62866 -217.82950 795.69170
3390.0000 -227.66243 -219.09680 8.56564 2.55366 -219.35782 747.40537
3395.0000 -226.94497 -217.05503 9.88995 2.64483 -217.49986 789.39864
3400.0000 -226.38236 -216.44002 9.94235 2.66101 -217.17008 833.39041
3405.0000 -226.44961 -216.40162 10.04799 2.70330 -216.30839 839.63920
3410.0000 -225.94296 -217.41742 8.52555 2.63521 -217.69593 776.55038
3415.0000 -225.39641 -215.48427 9.91213 2.69544 -216.46841 821.65168
3420.0000 -226.78023 -215.44742 11.33281 2.74254 -215.50864 860.35396
3425.0000 -224.90326 -215.07360 9.82966 2.74555 -215.44729 869.37299
3430.0000 -225.99524 -216.05818 9.93705 2.75553 -215.24380 872.00586
3435.0000 -227.70607 -217.38615 10.31992 2.68809 -216.61830 823.69428
3440.0000 -226.50702 -216.26862 10.23840 2.69131 -216.55272 824.24502
3445.0000 -225.91661 -215.84041 10.07620 2.71976 -215.97287 834.84218
3450.0000 -225.62189 -216.27005 9.35185 2.72222 -215.92277 847.07383
3455.0000 -225.52465 -215.05332 10.47133 2.72902 -215.78415 844.42509
3460.0000 -225.19627 -214.79544 10.40083 2.81206 -214.09180 897.00766
3465.0000 -225.35249 -214.72300 10.62949 2.75869 -215.17947 856.43817
3470.0000 -224.44468 -214.51847 9.92622 2.78154 -214.71378 892.29793
3475.0000 -222.79770 -214.31929 8.47840 2.79209 -214.49882 867.43917
3480.0000 -226.72749 -216.97246 9.75502 2.73456 -215.67118 838.16170
3485.0000 -227.63771 -218.12358 9.51413 2.66988 -216.98945 802.36419
3490.0000 -228.67972 -219.73075 8.94897 2.59495 -218.51651 767.75018
3495.0000 -226.94841 -216.68191 10.26650 2.62198 -217.96558 772.17041
3500.0000 -226.67864 -216.70877 9.96987 2.70280 -216.31855 834.18415
FREEZING PROCESS: loop number 15 T-loop= 801.00000000000000
main_MD> interactions number 15 at Temperature= 801.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67894 1.68473 -1.96635
force_rgl> df(natom) 3.00113 -0.80296 2.62902
3505.0000 -227.65851 -217.89674 9.76177 2.63521 -217.69592 789.93493
3510.0000 -226.13544 -217.61568 8.51976 2.61057 -218.19803 755.35857
3515.0000 -226.16960 -218.45564 7.71396 2.60798 -218.25089 765.82324
3520.0000 -227.61797 -218.36108 9.25689 2.60959 -218.21801 766.93217
3525.0000 -227.20953 -217.98286 9.22667 2.60094 -218.39424 782.29379
3530.0000 -228.26895 -218.54316 9.72579 2.62852 -217.83232 800.18793
3535.0000 -226.95354 -219.22142 7.73212 2.58965 -218.62453 765.46730
3540.0000 -227.68419 -218.45693 9.22726 2.57827 -218.85629 746.45112
3545.0000 -226.34477 -216.81454 9.53023 2.67780 -216.82801 798.85584
3550.0000 -226.10285 -216.84300 9.25986 2.70604 -216.25238 851.10102
3555.0000 -226.07779 -216.40157 9.67622 2.66368 -217.11578 802.55103
3560.0000 -226.83811 -217.64406 9.19405 2.68463 -216.68885 827.98670
3565.0000 -225.21554 -214.95065 10.26489 2.71802 -216.00831 851.12265
3570.0000 -227.05134 -216.64870 10.40264 2.74725 -215.41256 857.75183
3575.0000 -227.82091 -218.33874 9.48218 2.65025 -217.38945 795.16757
3580.0000 -226.96678 -216.37049 10.59628 2.65500 -217.29256 783.75637
3585.0000 -227.01258 -217.22192 9.79067 2.63122 -217.77729 784.05902
3590.0000 -227.36662 -218.02112 9.34550 2.63416 -217.71737 800.93039
3595.0000 -228.12021 -219.40115 8.71906 2.57231 -218.97785 747.53640
3600.0000 -226.52256 -217.22713 9.29542 2.63521 -217.69589 762.37299
3605.0000 -227.03573 -216.19024 10.84549 2.68766 -216.62711 793.37170
3610.0000 -226.83639 -216.52694 10.30945 2.67269 -216.93208 810.40431
3615.0000 -229.29291 -217.81504 11.47787 2.68979 -216.58359 824.26824
3620.0000 -228.73159 -220.20073 8.53086 2.58385 -218.74271 768.76018
3625.0000 -227.97383 -219.55950 8.41434 2.55594 -219.31149 754.94006
3630.0000 -228.49876 -219.51801 8.98074 2.54786 -219.47618 751.45202
3635.0000 -227.76713 -218.41490 9.35223 2.55769 -219.27579 742.48596
3640.0000 -228.05924 -219.61114 8.44810 2.58607 -218.69736 761.58103
3645.0000 -227.41774 -218.48282 8.93491 2.59607 -218.49365 740.68592
3650.0000 -226.15104 -216.95388 9.19716 2.68984 -216.58271 823.41416
3655.0000 -227.97520 -217.47357 10.50163 2.63643 -217.67115 800.27413
3660.0000 -225.88534 -216.73539 9.14996 2.67057 -216.97537 815.30011
3665.0000 -228.51575 -219.92098 8.59476 2.57260 -218.97200 760.21283
3670.0000 -225.85020 -216.53409 9.31611 2.63223 -217.75671 800.93702
3675.0000 -224.99224 -215.06807 9.92416 2.72252 -215.91662 847.48064
3680.0000 -226.93932 -216.21206 10.72726 2.70436 -216.28665 860.31755
3685.0000 -227.79810 -217.82534 9.97276 2.68203 -216.74168 819.98464
3690.0000 -227.46240 -218.27466 9.18773 2.63226 -217.75614 788.96498
3695.0000 -228.16426 -219.30255 8.86170 2.56127 -219.20280 753.76477
3700.0000 -226.16938 -216.72860 9.44078 2.58075 -218.80589 753.09270
3705.0000 -225.82041 -216.07259 9.74782 2.65384 -217.31617 782.54316
3710.0000 -225.46303 -214.34165 11.12138 2.76258 -215.10030 864.09251
3715.0000 -225.89477 -215.81713 10.07764 2.74099 -215.54012 883.37836
3720.0000 -225.82571 -216.45671 9.36900 2.70866 -216.19916 814.93926
3725.0000 -227.38592 -218.03678 9.34915 2.66385 -217.11219 809.53391
3730.0000 -226.14242 -218.12379 8.01863 2.59607 -218.49357 772.28915
3735.0000 -226.71323 -215.76499 10.94824 2.66527 -217.08325 802.03185
3740.0000 -226.69332 -216.22884 10.46448 2.71244 -216.12198 848.68926
3745.0000 -226.93391 -218.45549 8.47842 2.61138 -218.18151 790.45478
3750.0000 -228.27284 -217.50870 10.76414 2.60020 -218.40951 799.77463
FREEZING PROCESS: loop number 16 T-loop= 776.00000000000000
main_MD> interactions number 16 at Temperature= 776.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87832 1.04371 0.34288
force_rgl> df(natom) -0.22078 -0.41525 -0.77208
3755.0000 -227.62008 -219.18953 8.43055 2.60618 -218.28758 779.46771
3760.0000 -230.06023 -220.42537 9.63486 2.50190 -220.41275 721.77100
3765.0000 -228.39501 -219.34886 9.04615 2.50416 -220.36674 731.92728
3770.0000 -231.06839 -221.17100 9.89739 2.50933 -220.26121 718.81478
3775.0000 -227.42933 -219.03654 8.39278 2.53355 -219.76775 720.72179
3780.0000 -226.14319 -217.24717 8.89602 2.58670 -218.68460 767.05743
3785.0000 -228.80030 -218.85670 9.94360 2.60436 -218.32462 791.92559
3790.0000 -227.02268 -217.65072 9.37196 2.62534 -217.89700 794.29159
3795.0000 -226.14723 -215.98412 10.16310 2.67044 -216.97802 809.55311
3800.0000 -226.85881 -215.96283 10.89598 2.73336 -215.69580 856.06388
3805.0000 -226.19157 -217.32349 8.86808 2.65282 -217.33699 819.12992
3810.0000 -226.88070 -217.31058 9.57012 2.61844 -218.03763 769.12143
3815.0000 -226.70930 -217.11614 9.59317 2.66232 -217.14340 801.77372
3820.0000 -226.56006 -217.19620 9.36386 2.62539 -217.89599 793.20234
3825.0000 -227.37979 -218.01104 9.36875 2.69951 -216.38560 839.01736
3830.0000 -228.59393 -218.50086 10.09307 2.57761 -218.86988 762.85595
3835.0000 -226.92832 -217.35944 9.56888 2.62303 -217.94422 796.27576
3840.0000 -228.49993 -219.64285 8.85707 2.57670 -218.88838 764.47206
3845.0000 -227.52074 -219.04776 8.47298 2.54220 -219.59145 711.80967
3850.0000 -226.62540 -217.15306 9.47234 2.62743 -217.85441 783.48229
3855.0000 -224.84786 -215.36635 9.48151 2.69488 -216.47990 811.02872
3860.0000 -225.70853 -216.02167 9.68686 2.73760 -215.60929 827.36410
3865.0000 -227.00142 -218.30206 8.69936 2.66173 -217.15555 792.32972
3870.0000 -226.90843 -217.11896 9.78947 2.61733 -218.06035 774.21080
3875.0000 -225.45248 -216.95467 8.49781 2.64972 -217.40024 795.35029
3880.0000 -226.44021 -216.58740 9.85282 2.67851 -216.81361 816.78639
3885.0000 -227.81486 -218.45666 9.35819 2.63491 -217.70198 797.03960
3890.0000 -227.43525 -217.85589 9.57936 2.65113 -217.37146 827.83383
3895.0000 -228.08538 -219.93735 8.14804 2.59059 -218.60528 758.14926
3900.0000 -228.24329 -219.19568 9.04761 2.57719 -218.87842 769.83754
3905.0000 -228.87371 -219.52097 9.35274 2.53157 -219.80815 740.83094
3910.0000 -227.64270 -219.27516 8.36754 2.55011 -219.43029 748.16084
3915.0000 -227.82359 -219.28101 8.54258 2.51915 -220.06125 714.06787
3920.0000 -229.13941 -219.90355 9.23586 2.58046 -218.81179 748.24606
3925.0000 -227.18431 -217.77640 9.40791 2.58090 -218.80274 738.46160
3930.0000 -227.17176 -218.07018 9.10159 2.64243 -217.54890 804.27956
3935.0000 -226.68249 -217.60874 9.07375 2.58850 -218.64788 754.10434
3940.0000 -226.56529 -218.10703 8.45826 2.60711 -218.26866 783.43515
3945.0000 -227.56663 -217.29709 10.26953 2.64123 -217.57324 793.78340
3950.0000 -226.79643 -217.72708 9.06935 2.64027 -217.59273 794.66261
3955.0000 -225.43903 -216.00766 9.43137 2.64844 -217.42624 810.15279
3960.0000 -228.04342 -218.49587 9.54755 2.68012 -216.78072 801.94024
3965.0000 -226.24751 -218.65589 7.59162 2.60931 -218.22381 747.46743
3970.0000 -228.78697 -218.21872 10.56825 2.62168 -217.97167 775.30781
3975.0000 -227.07740 -217.50800 9.56940 2.58196 -218.78104 751.74608
3980.0000 -226.41748 -216.39310 10.02438 2.68343 -216.71330 804.58617
3985.0000 -227.25646 -217.58911 9.66735 2.63021 -217.79783 796.70327
3990.0000 -228.40318 -219.76074 8.64243 2.54811 -219.47092 731.29477
3995.0000 -227.93895 -219.45507 8.48389 2.56918 -219.04164 742.83386
4000.0000 -226.18710 -217.99441 8.19269 2.60951 -218.21978 765.69854
FREEZING PROCESS: loop number 17 T-loop= 751.00000000000000
main_MD> interactions number 17 at Temperature= 751.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23994 -0.89664 0.04444
force_rgl> df(natom) 4.65057 1.74968 0.15552
4005.0000 -227.84371 -219.66230 8.18141 2.59773 -218.45972 745.73234
4010.0000 -227.47907 -217.67497 9.80409 2.58682 -218.68205 765.07871
4015.0000 -228.21416 -219.07764 9.13652 2.53423 -219.75394 746.12211
4020.0000 -227.87744 -219.92512 7.95232 2.56625 -219.10131 733.73270
4025.0000 -229.00766 -219.20486 9.80280 2.53321 -219.77473 717.30058
4030.0000 -229.28133 -220.32140 8.95993 2.53179 -219.80361 712.74139
4035.0000 -228.92983 -221.26853 7.66130 2.46178 -221.23035 686.90087
4040.0000 -228.12852 -219.28492 8.84360 2.51519 -220.14195 700.03150
4045.0000 -228.10032 -219.27823 8.82209 2.55698 -219.29022 741.57222
4050.0000 -228.66499 -217.79936 10.86563 2.59152 -218.58637 781.43602
4055.0000 -228.83482 -219.70731 9.12751 2.60301 -218.35207 759.94867
4060.0000 -228.07523 -218.35276 9.72247 2.59325 -218.55104 760.94138
4065.0000 -228.11557 -217.40682 10.70875 2.62343 -217.93606 784.19847
4070.0000 -225.52676 -216.83907 8.68769 2.64268 -217.54376 793.88016
4075.0000 -227.38039 -217.22751 10.15288 2.63052 -217.79143 764.62689
4080.0000 -225.96520 -217.46067 8.50453 2.65828 -217.22576 792.30437
4085.0000 -227.41727 -218.42004 8.99722 2.63234 -217.75447 770.60938
4090.0000 -226.18226 -216.81790 9.36436 2.60451 -218.32160 763.02292
4095.0000 -229.03589 -220.49831 8.53759 2.55527 -219.32507 740.10919
4100.0000 -229.69793 -220.24472 9.45321 2.46293 -221.20691 697.20304
4105.0000 -227.74383 -218.03670 9.70713 2.57344 -218.95483 731.37699
4110.0000 -227.59297 -219.14949 8.44348 2.60324 -218.34750 780.61774
4115.0000 -225.15746 -215.56025 9.59721 2.64385 -217.51984 777.74198
4120.0000 -227.92393 -217.50584 10.41810 2.65345 -217.32420 808.46614
4125.0000 -225.61736 -216.54584 9.07153 2.67561 -216.87255 817.61634
4130.0000 -227.42295 -217.92612 9.49683 2.66113 -217.16774 803.60675
4135.0000 -226.66044 -216.52044 10.14000 2.65577 -217.27684 782.71725
4140.0000 -226.02250 -216.24284 9.77966 2.66323 -217.12487 806.70194
4145.0000 -227.38913 -217.54984 9.83928 2.67546 -216.87570 814.13698
4150.0000 -226.09740 -215.84180 10.25560 2.67129 -216.96059 811.70139
4155.0000 -226.78969 -217.57974 9.20994 2.68290 -216.72412 820.61374
4160.0000 -227.62111 -218.59694 9.02416 2.59954 -218.42282 761.60714
4165.0000 -228.28032 -218.71933 9.56099 2.62236 -217.95771 798.84259
4170.0000 -227.37706 -219.34969 8.02737 2.55419 -219.34710 743.88515
4175.0000 -227.52550 -218.82288 8.70263 2.58419 -218.73567 777.50211
4180.0000 -229.64562 -222.08240 7.56321 2.48956 -220.66426 703.73066
4185.0000 -229.45270 -220.93268 8.52002 2.44856 -221.49976 691.37222
4190.0000 -228.47252 -219.02201 9.45051 2.53819 -219.67316 726.40725
4195.0000 -227.27956 -218.02449 9.25507 2.59633 -218.48822 754.31600
4200.0000 -226.07529 -216.17810 9.89719 2.70256 -216.32342 812.29645
4205.0000 -226.94175 -218.54248 8.39927 2.67570 -216.87072 792.57034
4210.0000 -229.61485 -218.74397 10.87087 2.62717 -217.85983 803.93330
4215.0000 -226.69396 -217.09083 9.60313 2.60596 -218.29206 774.51176
4220.0000 -228.11397 -219.78363 8.33034 2.61431 -218.12187 768.39829
4225.0000 -229.53485 -221.12684 8.40801 2.48047 -220.84942 693.49238
4230.0000 -229.02037 -220.60664 8.41373 2.48809 -220.69410 712.78480
4235.0000 -228.82983 -220.12754 8.70229 2.49682 -220.51617 704.48025
4240.0000 -229.72395 -220.46071 9.26324 2.56280 -219.17169 745.92103
4245.0000 -228.37088 -219.99136 8.37952 2.51483 -220.14915 729.69833
4250.0000 -227.71276 -219.39366 8.31909 2.55720 -219.28577 744.59407
FREEZING PROCESS: loop number 18 T-loop= 726.00000000000000
main_MD> interactions number 18 at Temperature= 726.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.44238 -0.06017 2.89656
force_rgl> df(natom) 2.68929 2.95039 0.68241
4255.0000 -230.61330 -221.71437 8.89893 2.48515 -220.75408 690.62517
4260.0000 -228.21349 -220.22327 7.99022 2.47085 -221.04546 681.54425
4265.0000 -230.57717 -222.99525 7.58192 2.44896 -221.49161 664.91452
4270.0000 -230.47670 -222.49445 7.98225 2.41979 -222.08609 665.09368
4275.0000 -229.64035 -221.49241 8.14794 2.40819 -222.32257 656.72583
4280.0000 -229.75629 -220.52249 9.23381 2.46221 -221.22166 684.97785
4285.0000 -228.67923 -220.51837 8.16086 2.50265 -220.39737 729.09162
4290.0000 -228.91866 -220.11115 8.80752 2.50964 -220.25503 721.38073
4295.0000 -228.56824 -220.79726 7.77098 2.49380 -220.57781 729.43601
4300.0000 -229.24322 -220.58654 8.65668 2.49775 -220.49739 710.88710
4305.0000 -228.17630 -220.34734 7.82896 2.48246 -220.80886 684.98497
4310.0000 -229.34193 -221.43967 7.90226 2.48433 -220.77080 702.75247
4315.0000 -227.30290 -220.03072 7.27217 2.54018 -219.63252 744.46961
4320.0000 -229.81205 -221.12065 8.69140 2.52006 -220.04262 693.72321
4325.0000 -226.39259 -217.79636 8.59622 2.57699 -218.88236 745.15405
4330.0000 -227.98639 -219.98424 8.00215 2.59040 -218.60912 774.54577
4335.0000 -227.67701 -219.70879 7.96822 2.49667 -220.51934 723.48934
4340.0000 -228.27255 -219.47513 8.79742 2.55169 -219.39803 736.74890
4345.0000 -228.05299 -218.87135 9.18164 2.52740 -219.89296 712.07686
4350.0000 -228.15626 -219.83798 8.31828 2.52315 -219.97967 707.14084
4355.0000 -229.14919 -219.83425 9.31494 2.53572 -219.72341 709.47916
4360.0000 -227.37046 -218.17644 9.19402 2.57342 -218.95523 752.71405
4365.0000 -228.35108 -219.55868 8.79240 2.57088 -219.00700 760.76464
4370.0000 -228.22627 -218.90792 9.31835 2.57521 -218.91881 771.36032
4375.0000 -228.23452 -220.25533 7.97918 2.56023 -219.22399 751.62462
4380.0000 -228.90727 -220.50688 8.40039 2.50162 -220.41850 722.99399
4385.0000 -228.88600 -220.11515 8.77084 2.52813 -219.87808 734.46962
4390.0000 -229.28962 -220.75264 8.53698 2.50966 -220.25458 693.97397
4395.0000 -228.61833 -220.92643 7.69189 2.50843 -220.27960 720.99046
4400.0000 -227.24031 -218.83930 8.40101 2.54717 -219.49016 747.05122
4405.0000 -229.74597 -220.61826 9.12771 2.54336 -219.56789 730.30683
4410.0000 -229.97906 -222.56847 7.41059 2.43741 -221.72694 662.31406
4415.0000 -230.50901 -222.61553 7.89348 2.39212 -222.64989 634.77326
4420.0000 -229.05434 -220.66540 8.38894 2.45531 -221.36214 714.75050
4425.0000 -228.36973 -220.26499 8.10474 2.49737 -220.50514 700.12778
4430.0000 -228.07333 -219.05592 9.01741 2.55116 -219.40883 754.45861
4435.0000 -227.81465 -219.86303 7.95162 2.52379 -219.96667 732.03666
4440.0000 -228.63816 -219.26168 9.37648 2.54367 -219.56154 740.95294
4445.0000 -227.83507 -220.43110 7.40397 2.49089 -220.63718 693.39798
4450.0000 -227.85757 -220.41886 7.43871 2.46743 -221.11528 674.25549
4455.0000 -227.52553 -218.56953 8.95600 2.56507 -219.12532 767.61092
4460.0000 -227.01008 -219.30794 7.70214 2.54374 -219.56009 717.68245
4465.0000 -227.59292 -218.18695 9.40597 2.59772 -218.45992 761.18106
4470.0000 -228.42196 -218.95076 9.47121 2.59290 -218.55817 768.27785
4475.0000 -227.14402 -219.02459 8.11943 2.57695 -218.88334 765.03692
4480.0000 -228.15516 -220.03233 8.12283 2.52152 -220.01295 715.05456
4485.0000 -228.63959 -220.36085 8.27873 2.50628 -220.32340 715.96164
4490.0000 -230.06293 -221.67861 8.38432 2.48215 -220.81520 675.58023
4495.0000 -228.94194 -220.82277 8.11917 2.50552 -220.33892 724.07673
4500.0000 -228.82039 -220.01687 8.80352 2.48751 -220.70595 715.47833
FREEZING PROCESS: loop number 19 T-loop= 701.00000000000000
main_MD> interactions number 19 at Temperature= 701.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.79957 0.42081 -0.97342
force_rgl> df(natom) -0.16990 4.53726 3.61091
4505.0000 -231.26265 -222.25621 9.00644 2.45276 -221.41415 671.97015
4510.0000 -229.47542 -221.54714 7.92828 2.43522 -221.77167 658.87539
4515.0000 -230.31267 -222.47007 7.84260 2.41572 -222.16906 655.75280
4520.0000 -229.50009 -222.69212 6.80798 2.41429 -222.19813 657.59897
4525.0000 -229.88950 -222.01131 7.87818 2.43412 -221.79403 676.43875
4530.0000 -228.69617 -220.38075 8.31542 2.49095 -220.63595 701.72223
4535.0000 -229.23291 -220.85440 8.37851 2.51466 -220.15270 720.43943
4540.0000 -229.39813 -221.36459 8.03354 2.45794 -221.30866 680.86609
4545.0000 -229.42252 -221.26822 8.15430 2.44657 -221.54027 667.75926
4550.0000 -229.72362 -221.20194 8.52168 2.46783 -221.10708 688.85877
4555.0000 -228.08126 -219.35205 8.72921 2.50139 -220.42309 708.47630
4560.0000 -229.72971 -221.15703 8.57268 2.47701 -220.91996 707.62601
4565.0000 -230.43854 -221.86289 8.57565 2.42109 -222.05952 662.21654
4570.0000 -231.37291 -222.39489 8.97802 2.39349 -222.62212 663.24406
4575.0000 -230.20410 -221.73955 8.46455 2.42377 -222.00488 691.74537
4580.0000 -229.97829 -221.50833 8.46996 2.41640 -222.15512 662.43346
4585.0000 -228.73475 -220.06708 8.66767 2.50092 -220.43266 696.03034
4590.0000 -228.17373 -220.42357 7.75016 2.47869 -220.88572 689.83878
4595.0000 -227.32692 -219.23548 8.09144 2.55738 -219.28199 747.35691
4600.0000 -227.87533 -218.89104 8.98429 2.56337 -219.15998 727.98353
4605.0000 -228.42585 -220.08558 8.34027 2.51266 -220.19341 733.00088
4610.0000 -228.63609 -219.85251 8.78358 2.48684 -220.71961 699.01143
4615.0000 -228.11042 -217.89804 10.21238 2.54520 -219.53019 732.36008
4620.0000 -226.60195 -217.20676 9.39519 2.63604 -217.67892 808.05367
4625.0000 -227.91099 -218.44994 9.46105 2.61322 -218.14411 780.96664
4630.0000 -227.71944 -218.72168 8.99776 2.56962 -219.03260 761.08171
4635.0000 -228.18311 -218.89314 9.28997 2.57182 -218.98782 770.23599
4640.0000 -229.38221 -220.02847 9.35374 2.54733 -219.48683 734.41293
4645.0000 -227.82415 -218.78944 9.03471 2.55523 -219.32592 726.98088
4650.0000 -229.78257 -221.24593 8.53664 2.51822 -220.08009 730.03516
4655.0000 -230.42839 -221.69354 8.73485 2.47832 -220.89326 698.98101
4660.0000 -229.91671 -221.60270 8.31401 2.44879 -221.49504 678.31094
4665.0000 -229.65909 -221.02185 8.63724 2.44913 -221.48816 671.91981
4670.0000 -226.56757 -217.76481 8.80276 2.50072 -220.43674 710.01216
4675.0000 -227.55960 -218.71722 8.84238 2.58143 -218.79201 761.75346
4680.0000 -228.86393 -220.62880 8.23513 2.52956 -219.84902 721.85179
4685.0000 -229.62617 -220.79821 8.82795 2.51609 -220.12353 735.06791
4690.0000 -231.03979 -223.29210 7.74769 2.46150 -221.23605 680.23544
4695.0000 -227.71416 -219.76988 7.94428 2.47420 -220.97718 697.66234
4700.0000 -229.07727 -219.53329 9.54398 2.56648 -219.09669 740.87998
4705.0000 -226.86699 -219.38314 7.48385 2.53870 -219.66278 723.35483
4710.0000 -228.08008 -219.78946 8.29062 2.51371 -220.17195 720.66422
4715.0000 -228.70279 -221.17382 7.52897 2.52213 -220.00049 693.99959
4720.0000 -228.47566 -220.82603 7.64963 2.48010 -220.85706 686.53557
4725.0000 -229.39337 -221.71533 7.67804 2.47339 -220.99375 662.56569
4730.0000 -230.25924 -222.68653 7.57271 2.44494 -221.57361 660.30320
4735.0000 -230.21256 -222.08876 8.12380 2.42792 -221.92034 659.43562
4740.0000 -229.78611 -222.02522 7.76090 2.40864 -222.31321 639.06291
4745.0000 -229.00373 -221.61436 7.38937 2.42202 -222.04061 654.06987
4750.0000 -230.84500 -222.09013 8.75487 2.44096 -221.65459 691.28263
FREEZING PROCESS: loop number 20 T-loop= 676.00000000000000
main_MD> interactions number 20 at Temperature= 676.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.62777 -1.08717 3.91938
force_rgl> df(natom) 0.22512 -1.06986 -1.51810
4755.0000 -229.66976 -222.27851 7.39124 2.39853 -222.51938 647.77362
4760.0000 -231.55481 -223.00745 8.54736 2.39740 -222.54242 631.54952
4765.0000 -230.21658 -223.30326 6.91331 2.34018 -223.70853 611.92967
4770.0000 -230.29378 -221.43191 8.86187 2.41955 -222.09097 660.05387
4775.0000 -229.57746 -221.96859 7.60887 2.43907 -221.69309 674.40676
4780.0000 -228.87174 -221.74765 7.12409 2.43802 -221.71447 650.35266
4785.0000 -229.98674 -221.17711 8.80963 2.45404 -221.38805 671.18318
4790.0000 -229.51022 -222.11925 7.39097 2.43913 -221.69184 678.60295
4795.0000 -229.69502 -222.67259 7.02244 2.38969 -222.69941 649.09955
4800.0000 -230.55268 -222.08331 8.46937 2.39970 -222.49553 660.51029
4805.0000 -230.22064 -222.02553 8.19511 2.42902 -221.89806 655.40246
4810.0000 -229.71715 -221.14923 8.56792 2.42904 -221.89760 661.54860
4815.0000 -229.74410 -221.76594 7.97815 2.48423 -220.77288 674.13809
4820.0000 -230.81302 -222.32722 8.48580 2.42023 -222.07706 650.64650
4825.0000 -228.97250 -221.71581 7.25669 2.44795 -221.51227 666.14957
4830.0000 -230.87898 -222.40964 8.46935 2.43296 -221.81771 664.36573
4835.0000 -231.87186 -224.62482 7.24703 2.33373 -223.83987 596.98662
4840.0000 -229.96619 -221.84770 8.11848 2.37933 -222.91066 643.59849
4845.0000 -231.15013 -223.07036 8.07977 2.44521 -221.56798 691.38870
4850.0000 -231.14819 -223.03357 8.11462 2.36786 -223.14445 640.63295
4855.0000 -231.58890 -224.33809 7.25081 2.32670 -223.98312 644.08934
4860.0000 -230.94715 -223.84099 7.10616 2.33921 -223.72824 618.03502
4865.0000 -230.16996 -223.06756 7.10241 2.36599 -223.18240 605.81066
4870.0000 -228.85151 -221.62661 7.22491 2.41459 -222.19205 634.38753
4875.0000 -229.96639 -221.27982 8.68658 2.42011 -222.07954 686.39584
4880.0000 -229.69248 -222.07463 7.61785 2.45107 -221.44870 682.75632
4885.0000 -229.35232 -221.75197 7.60035 2.41325 -222.21942 636.40804
4890.0000 -229.91167 -220.99105 8.92062 2.43341 -221.80846 665.88755
4895.0000 -229.26668 -220.89133 8.37535 2.46767 -221.11023 695.74818
4900.0000 -229.16889 -221.62628 7.54261 2.47932 -220.87297 690.23097
4905.0000 -228.62956 -220.96292 7.66664 2.43495 -221.77711 678.17331
4910.0000 -230.29902 -222.69112 7.60790 2.42471 -221.98576 649.46880
4915.0000 -229.42922 -220.07455 9.35467 2.42141 -222.05300 661.62974
4920.0000 -228.45995 -219.69063 8.76932 2.50422 -220.36541 711.49567
4925.0000 -228.94441 -221.04090 7.90352 2.51250 -220.19667 727.41313
4930.0000 -228.95770 -221.98411 6.97358 2.46425 -221.17996 684.57938
4935.0000 -230.90405 -222.15892 8.74513 2.42294 -222.02187 664.00115
4940.0000 -230.21653 -222.01762 8.19891 2.39475 -222.59644 641.23121
4945.0000 -230.55464 -222.41511 8.13952 2.41938 -222.09437 662.60853
4950.0000 -227.37926 -219.66506 7.71419 2.48278 -220.80232 712.84095
4955.0000 -228.81359 -221.77887 7.03472 2.52527 -219.93650 695.42759
4960.0000 -230.14318 -223.09428 7.04890 2.44432 -221.58615 656.95709
4965.0000 -229.60062 -221.51687 8.08374 2.39144 -222.66381 641.14484
4970.0000 -229.87867 -222.17705 7.70163 2.44845 -221.50206 696.90057
4975.0000 -230.58594 -222.30684 8.27911 2.37940 -222.90915 646.27244
4980.0000 -230.07946 -221.57493 8.50453 2.44923 -221.48611 702.27850
4985.0000 -229.85709 -220.86527 8.99182 2.46591 -221.14627 705.30476
4990.0000 -229.65933 -222.04642 7.61292 2.45676 -221.33266 678.22671
4995.0000 -229.90089 -221.75362 8.14726 2.42830 -221.91255 681.54771
5000.0000 -231.10239 -223.24918 7.85321 2.39541 -222.58302 625.19122
FREEZING PROCESS: loop number 21 T-loop= 651.00000000000000
main_MD> interactions number 21 at Temperature= 651.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61966 0.76884 -0.96823
force_rgl> df(natom) 1.89625 1.52612 2.13650
5005.0000 -230.56592 -222.49961 8.06631 2.36937 -223.11354 642.47992
5010.0000 -229.28695 -221.53729 7.74966 2.43655 -221.74455 685.07462
5015.0000 -230.46175 -222.41775 8.04400 2.45451 -221.37841 669.09517
5020.0000 -229.80397 -222.80262 7.00134 2.36107 -223.28271 612.22494
5025.0000 -229.16031 -222.36882 6.79149 2.38428 -222.80981 634.34413
5030.0000 -228.96481 -220.42469 8.54011 2.44058 -221.66239 689.47623
5035.0000 -230.63011 -221.35220 9.27791 2.51110 -220.22525 705.39828
5040.0000 -229.40612 -220.82204 8.58408 2.47178 -221.02662 676.35898
5045.0000 -229.01102 -220.53341 8.47761 2.46959 -221.07109 681.71627
5050.0000 -231.51924 -224.28125 7.23799 2.41731 -222.13662 653.40699
5055.0000 -229.91150 -222.07377 7.83773 2.38919 -222.70965 652.71634
5060.0000 -228.95822 -220.09980 8.85842 2.45764 -221.31479 701.43434
5065.0000 -228.81408 -220.90208 7.91201 2.50456 -220.35850 711.67898
5070.0000 -230.59813 -222.90768 7.69045 2.43161 -221.84525 660.30548
5075.0000 -231.11532 -223.22552 7.88980 2.37524 -222.99402 643.66712
5080.0000 -229.52829 -221.76611 7.76218 2.41295 -222.22550 657.68518
5085.0000 -228.91508 -221.06835 7.84674 2.42233 -222.03432 671.25464
5090.0000 -231.07552 -221.81709 9.25843 2.44647 -221.54232 684.11994
5095.0000 -230.50378 -221.63053 8.87325 2.42321 -222.01636 674.48507
5100.0000 -229.00898 -221.47436 7.53462 2.42664 -221.94638 656.69179
5105.0000 -230.75776 -222.25382 8.50394 2.44368 -221.59930 664.56690
5110.0000 -228.90946 -221.69431 7.21515 2.42264 -222.02790 681.83570
5115.0000 -230.99529 -223.53553 7.45977 2.42346 -222.01121 645.13033
5120.0000 -231.22313 -224.20327 7.01986 2.33617 -223.79014 613.53622
5125.0000 -231.32887 -223.10568 8.22319 2.32155 -224.08823 615.95619
5130.0000 -228.65278 -219.63351 9.01927 2.46556 -221.15330 692.16976
5135.0000 -228.89823 -221.16075 7.73748 2.48812 -220.69348 690.99859
5140.0000 -230.30906 -221.97873 8.33033 2.43269 -221.82324 677.61459
5145.0000 -229.99242 -223.14278 6.84964 2.38668 -222.76088 655.78274
5150.0000 -231.43788 -222.61628 8.82160 2.37545 -222.98960 660.88320
5155.0000 -230.33288 -222.50582 7.82706 2.36249 -223.25387 658.49468
5160.0000 -231.26651 -223.58008 7.68643 2.34549 -223.60026 614.42881
5165.0000 -231.04156 -224.27465 6.76692 2.33373 -223.83992 605.27576
5170.0000 -230.99055 -223.52893 7.46162 2.34519 -223.60638 618.72075
5175.0000 -230.66880 -223.78332 6.88548 2.32873 -223.94181 597.69135
5180.0000 -230.19380 -222.23571 7.95809 2.35562 -223.39389 633.78343
5185.0000 -229.96853 -221.84519 8.12334 2.40383 -222.41128 650.54872
5190.0000 -230.91415 -223.74889 7.16526 2.40907 -222.30455 643.05541
5195.0000 -230.67158 -221.83765 8.83393 2.36777 -223.14619 643.70680
5200.0000 -230.05027 -222.05772 7.99255 2.39297 -222.63264 660.97145
5205.0000 -231.92316 -223.65049 8.27267 2.37713 -222.95546 642.61832
5210.0000 -231.57279 -223.41595 8.15684 2.34929 -223.52288 633.18111
5215.0000 -229.43587 -222.27867 7.15719 2.37104 -223.07947 635.80355
5220.0000 -231.32023 -223.44258 7.87766 2.38133 -222.86980 660.78679
5225.0000 -230.88253 -223.09252 7.79001 2.38772 -222.73960 655.44383
5230.0000 -231.00154 -222.67903 8.32251 2.37578 -222.98296 626.53175
5235.0000 -229.80191 -222.75714 7.04476 2.36135 -223.27704 650.27249
5240.0000 -230.84114 -222.24603 8.59512 2.40758 -222.33490 665.13016
5245.0000 -230.33191 -222.24191 8.08999 2.43162 -221.84501 699.03366
5250.0000 -230.09102 -222.71271 7.37831 2.39453 -222.60076 647.97561
FREEZING PROCESS: loop number 22 T-loop= 626.00000000000000
main_MD> interactions number 22 at Temperature= 626.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09563 0.61741 2.21338
force_rgl> df(natom) 0.59565 0.29358 -1.19062
5255.0000 -229.89788 -223.08995 6.80792 2.37023 -223.09607 626.87452
5260.0000 -231.31431 -223.44841 7.86590 2.34221 -223.66712 618.97565
5265.0000 -229.88540 -222.31538 7.57003 2.34077 -223.69649 627.47123
5270.0000 -230.66907 -222.31191 8.35716 2.40332 -222.42175 645.85855
5275.0000 -229.63274 -221.84302 7.78972 2.46179 -221.23005 686.08721
5280.0000 -231.24166 -222.40012 8.84153 2.39584 -222.57411 680.13473
5285.0000 -231.29014 -224.32004 6.97010 2.35876 -223.32993 650.73197
5290.0000 -230.60186 -223.65048 6.95138 2.33234 -223.86827 598.87194
5295.0000 -231.42971 -223.64201 7.78770 2.30535 -224.41826 570.18149
5300.0000 -231.59349 -223.76697 7.82653 2.34158 -223.68004 604.78694
5305.0000 -228.81875 -222.68996 6.12879 2.35386 -223.42961 623.45146
5310.0000 -230.30980 -222.83701 7.47279 2.38019 -222.89308 629.82113
5315.0000 -230.36502 -222.66949 7.69553 2.38806 -222.73281 631.20508
5320.0000 -229.98026 -223.27525 6.70501 2.38568 -222.78121 629.50093
5325.0000 -231.25691 -223.42108 7.83583 2.32624 -223.99258 575.71851
5330.0000 -230.04822 -223.43829 6.60993 2.34121 -223.68757 632.57432
5335.0000 -230.18699 -223.26087 6.92613 2.34601 -223.58959 617.11363
5340.0000 -230.67602 -222.95797 7.71805 2.36917 -223.11768 618.52465
5345.0000 -231.72198 -224.07814 7.64383 2.33981 -223.71603 591.01947
5350.0000 -230.99676 -222.29450 8.70226 2.36368 -223.22955 626.10840
5355.0000 -229.14373 -222.50041 6.64332 2.36377 -223.22779 609.03915
5360.0000 -229.36264 -221.87926 7.48337 2.42851 -221.90831 642.33194
5365.0000 -231.07186 -223.67312 7.39873 2.42168 -222.04758 665.05612
5370.0000 -231.59503 -222.87751 8.71752 2.34382 -223.63424 649.74399
5375.0000 -231.62549 -224.52558 7.09991 2.32383 -224.04176 623.52320
5380.0000 -231.18943 -224.32179 6.86764 2.31692 -224.18243 594.54793
5385.0000 -230.27959 -223.52582 6.75378 2.33172 -223.88088 599.48246
5390.0000 -230.96577 -224.81109 6.15468 2.31959 -224.12800 609.38098
5395.0000 -232.86346 -225.65261 7.21085 2.27841 -224.96731 585.05802
5400.0000 -231.28640 -223.80068 7.48572 2.30124 -224.50202 621.53412
5405.0000 -230.59095 -222.55001 8.04094 2.35540 -223.39837 635.28158
5410.0000 -229.35137 -222.44525 6.90612 2.40746 -222.33741 635.38845
5415.0000 -230.92632 -223.51989 7.40644 2.36852 -223.13086 625.65543
5420.0000 -232.93495 -224.85749 8.07746 2.35264 -223.45449 610.21459
5425.0000 -230.73286 -223.46815 7.26472 2.31610 -224.19930 586.97144
5430.0000 -230.22379 -223.06734 7.15644 2.37844 -222.92879 637.93730
5435.0000 -230.43898 -222.88746 7.55152 2.39436 -222.60425 643.80339
5440.0000 -231.64668 -224.03322 7.61346 2.35117 -223.48458 630.23275
5445.0000 -230.16444 -221.55764 8.60680 2.34803 -223.54860 632.61405
5450.0000 -229.62563 -222.37232 7.25331 2.42337 -222.01311 672.83208
5455.0000 -231.52043 -224.29919 7.22124 2.37416 -223.01600 626.86037
5460.0000 -231.46952 -224.07432 7.39520 2.32362 -224.04591 611.57750
5465.0000 -230.48195 -222.55205 7.92990 2.36217 -223.26028 637.38734
5470.0000 -230.63724 -223.09563 7.54161 2.38023 -222.89219 643.21872
5475.0000 -231.86638 -224.44060 7.42578 2.35743 -223.35696 629.06257
5480.0000 -230.50199 -222.91531 7.58668 2.34617 -223.58640 607.32634
5485.0000 -231.48894 -224.26628 7.22267 2.36097 -223.28482 608.30036
5490.0000 -231.64734 -223.43213 8.21521 2.34138 -223.68403 614.47374
5495.0000 -231.62262 -224.01230 7.61032 2.34242 -223.66276 620.68468
5500.0000 -229.85831 -223.15739 6.70091 2.37774 -222.94304 628.16127
FREEZING PROCESS: loop number 23 T-loop= 601.00000000000000
main_MD> interactions number 23 at Temperature= 601.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.90700 4.11811 -4.59646
force_rgl> df(natom) 1.80023 2.87293 0.88896
5505.0000 -231.06701 -223.40057 7.66644 2.37829 -222.93187 631.02128
5510.0000 -231.59178 -224.08004 7.51174 2.34051 -223.70173 601.43714
5515.0000 -230.40998 -222.72177 7.68821 2.33486 -223.81680 605.05081
5520.0000 -230.49516 -222.33586 8.15930 2.38602 -222.77423 664.27943
5525.0000 -230.42757 -223.24499 7.18259 2.38465 -222.80213 626.80001
5530.0000 -231.56503 -224.61950 6.94553 2.32111 -224.09703 567.64843
5535.0000 -232.94981 -225.33943 7.61037 2.27444 -225.04818 581.35681
5540.0000 -231.22097 -224.83101 6.38995 2.30457 -224.43421 587.23175
5545.0000 -230.34333 -223.65846 6.68487 2.32429 -224.03238 617.68358
5550.0000 -230.99461 -223.16110 7.83350 2.33337 -223.84721 616.33871
5555.0000 -231.37274 -224.72949 6.64324 2.30893 -224.34533 589.45483
5560.0000 -231.64270 -223.83803 7.80467 2.32019 -224.11592 610.61410
5565.0000 -231.66309 -224.18979 7.47330 2.33150 -223.88534 619.35972
5570.0000 -231.45433 -224.24181 7.21251 2.31346 -224.25296 598.22930
5575.0000 -231.34302 -225.24655 6.09647 2.28365 -224.86063 567.14041
5580.0000 -230.45855 -222.97577 7.48278 2.35869 -223.33134 630.30750
5585.0000 -230.80501 -223.32641 7.47859 2.36106 -223.28295 626.54081
5590.0000 -231.38440 -224.56974 6.81467 2.32306 -224.05733 599.51728
5595.0000 -230.25948 -222.47769 7.78179 2.34063 -223.69928 633.07398
5600.0000 -230.51182 -222.87116 7.64066 2.37898 -222.91786 631.70306
5605.0000 -231.58418 -222.85448 8.72970 2.39231 -222.64606 647.09051
5610.0000 -230.42368 -224.01221 6.41146 2.34020 -223.70807 608.34127
5615.0000 -231.31839 -224.45422 6.86417 2.31902 -224.13981 576.12203
5620.0000 -231.44240 -223.97125 7.47115 2.34016 -223.70885 621.40240
5625.0000 -230.63957 -223.46127 7.17830 2.34033 -223.70545 644.86612
5630.0000 -231.25661 -224.05109 7.20552 2.30031 -224.52095 598.15521
5635.0000 -231.73589 -224.53982 7.19606 2.32221 -224.07460 608.70966
5640.0000 -232.50422 -225.25066 7.25356 2.30210 -224.48455 577.77324
5645.0000 -231.88208 -224.06997 7.81211 2.33649 -223.78370 635.81365
5650.0000 -231.81355 -225.00996 6.80359 2.31355 -224.25127 612.69708
5655.0000 -231.82159 -225.17106 6.65053 2.26557 -225.22903 566.05401
5660.0000 -232.43244 -225.47917 6.95327 2.24428 -225.66295 566.58173
5665.0000 -231.85092 -224.70587 7.14506 2.27545 -225.02761 584.17975
5670.0000 -231.02450 -224.22755 6.79694 2.30971 -224.32938 591.90344
5675.0000 -232.51611 -225.32071 7.19541 2.26322 -225.27680 559.72786
5680.0000 -231.47290 -223.48625 7.98665 2.34584 -223.59306 636.69095
5685.0000 -231.49629 -224.23662 7.25967 2.29797 -224.56875 617.37725
5690.0000 -231.19899 -223.03329 8.16571 2.35032 -223.50192 670.43065
5695.0000 -231.46745 -224.09234 7.37511 2.34173 -223.67681 604.10156
5700.0000 -229.97407 -223.69376 6.28031 2.35253 -223.45677 605.83426
5705.0000 -232.05266 -224.87807 7.17459 2.27036 -225.13129 580.33779
5710.0000 -232.77106 -224.94987 7.82119 2.27020 -225.13464 579.31107
5715.0000 -232.67550 -226.21407 6.46143 2.23237 -225.90556 557.95707
5720.0000 -232.90141 -225.07886 7.82256 2.22665 -226.02214 545.63045
5725.0000 -231.94869 -225.73004 6.21865 2.27466 -225.04380 579.45992
5730.0000 -232.71192 -225.20431 7.50760 2.24811 -225.58473 564.20856
5735.0000 -232.07938 -223.70780 8.37158 2.30128 -224.50124 591.58997
5740.0000 -231.91088 -224.75102 7.15986 2.33178 -223.87977 621.55261
5745.0000 -231.78073 -224.09824 7.68249 2.31671 -224.18688 579.61723
5750.0000 -229.43639 -222.11288 7.32351 2.33771 -223.75884 603.33490
FREEZING PROCESS: loop number 24 T-loop= 576.00000000000000
main_MD> interactions number 24 at Temperature= 576.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90061 1.00550 -1.03408
force_rgl> df(natom) -1.10510 2.14903 0.67547
5755.0000 -231.85512 -223.20618 8.64894 2.34893 -223.53022 631.72536
5760.0000 -231.25910 -222.93157 8.32753 2.35350 -223.43708 618.10908
5765.0000 -230.68218 -223.20664 7.47554 2.34658 -223.57802 606.67730
5770.0000 -230.86651 -223.49341 7.37310 2.35663 -223.37330 633.36655
5775.0000 -231.82628 -224.49851 7.32777 2.33328 -223.84919 590.98101
5780.0000 -231.44815 -224.08608 7.36206 2.30752 -224.37406 563.63255
5785.0000 -232.52831 -225.93330 6.59501 2.29899 -224.54791 583.90596
5790.0000 -232.41505 -225.81842 6.59663 2.23364 -225.87967 565.92441
5795.0000 -232.02290 -225.25925 6.76365 2.24980 -225.55042 563.84967
5800.0000 -232.11341 -226.01435 6.09906 2.23880 -225.77452 552.35189
5805.0000 -231.95901 -225.02471 6.93430 2.24330 -225.68277 558.70294
5810.0000 -232.29665 -225.60140 6.69525 2.24539 -225.64024 559.98395
5815.0000 -231.60215 -224.35507 7.24708 2.28514 -224.83016 620.20709
5820.0000 -231.62027 -225.16833 6.45194 2.27613 -225.01379 604.17904
5825.0000 -233.12735 -226.42981 6.69754 2.24147 -225.72011 562.30198
5830.0000 -232.47415 -225.20298 7.27116 2.21149 -226.33103 564.95612
5835.0000 -232.53590 -225.85575 6.68015 2.25140 -225.51786 573.57467
5840.0000 -233.83890 -227.59701 6.24189 2.17664 -227.04142 522.14292
5845.0000 -232.76961 -226.81058 5.95903 2.14368 -227.71309 506.57019
5850.0000 -232.99041 -226.34503 6.64539 2.19731 -226.62016 537.71385
5855.0000 -232.91012 -226.10364 6.80647 2.22436 -226.06879 577.46392
5860.0000 -233.61182 -226.62115 6.99067 2.20926 -226.37665 572.65350
5865.0000 -232.75010 -226.52718 6.22292 2.18986 -226.77189 557.57684
5870.0000 -233.55805 -225.73499 7.82306 2.22917 -225.97072 580.09679
5875.0000 -232.66434 -224.86438 7.79995 2.26337 -225.27389 593.03303
5880.0000 -232.39394 -223.95752 8.43642 2.28545 -224.82385 610.82081
5885.0000 -231.53532 -224.44464 7.09068 2.34525 -223.60524 614.57376
5890.0000 -231.95935 -224.56093 7.39842 2.30966 -224.33048 594.00382
5895.0000 -230.89379 -225.01031 5.88348 2.28915 -224.74847 606.05138
5900.0000 -232.68233 -225.72255 6.95978 2.23687 -225.81382 560.83629
5905.0000 -233.02365 -226.56487 6.45879 2.20614 -226.44018 551.94671
5910.0000 -231.53213 -225.09853 6.43360 2.22952 -225.96366 568.80525
5915.0000 -231.84141 -223.97795 7.86345 2.30896 -224.34464 596.86641
5920.0000 -230.06316 -223.55376 6.50940 2.31806 -224.15936 605.78003
5925.0000 -232.87347 -226.22806 6.64541 2.28331 -224.86754 609.13430
5930.0000 -231.42244 -223.83690 7.58554 2.28022 -224.93047 585.38515
5935.0000 -230.86508 -223.69650 7.16858 2.31726 -224.17567 603.27004
5940.0000 -230.97730 -222.57583 8.40146 2.34772 -223.55479 617.41962
5945.0000 -230.35937 -223.24246 7.11691 2.39224 -222.64758 622.86869
5950.0000 -232.24829 -225.18274 7.06555 2.33505 -223.81298 593.12579
5955.0000 -232.88555 -226.16022 6.72533 2.23933 -225.76380 558.65446
5960.0000 -231.64123 -225.46995 6.17128 2.23074 -225.93871 560.33128
5965.0000 -232.17827 -224.95633 7.22195 2.24708 -225.60588 583.42687
5970.0000 -231.33292 -224.32307 7.00985 2.28529 -224.82719 597.55093
5975.0000 -232.40068 -223.98334 8.41733 2.31821 -224.15613 615.56504
5980.0000 -231.52553 -225.38523 6.14029 2.29078 -224.71524 614.91590
5985.0000 -232.11882 -225.52774 6.59108 2.26031 -225.33619 587.17070
5990.0000 -232.46871 -225.58813 6.88058 2.26451 -225.25056 578.91149
5995.0000 -233.02844 -227.09855 5.92989 2.19925 -226.58058 530.84953
6000.0000 -231.18538 -224.83667 6.34871 2.21687 -226.22138 533.16408
FREEZING PROCESS: loop number 25 T-loop= 551.00000000000000
main_MD> interactions number 25 at Temperature= 551.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02831 0.01677 -2.00880
force_rgl> df(natom) 2.40166 1.15020 1.49642
6005.0000 -232.51374 -225.64009 6.87365 2.27616 -225.01314 579.75622
6010.0000 -232.56584 -225.81222 6.75362 2.22689 -226.01718 540.78406
6015.0000 -232.47802 -225.73292 6.74510 2.22258 -226.10512 537.46487
6020.0000 -232.65257 -225.51075 7.14182 2.21300 -226.30040 547.82345
6025.0000 -232.65973 -226.25991 6.39982 2.21524 -226.25473 538.41592
6030.0000 -232.24041 -225.37037 6.87005 2.25801 -225.38316 583.41408
6035.0000 -232.02564 -225.90470 6.12094 2.26665 -225.20702 574.03401
6040.0000 -232.66290 -226.57979 6.08312 2.21901 -226.17795 559.27971
6045.0000 -232.50388 -226.27289 6.23099 2.17501 -227.07449 533.63847
6050.0000 -233.82019 -227.54505 6.27515 2.17786 -227.01646 538.35998
6055.0000 -233.49072 -227.83476 5.65596 2.14578 -227.67021 512.36671
6060.0000 -232.75364 -226.76784 5.98580 2.16869 -227.20334 513.31040
6065.0000 -232.50102 -225.88451 6.61651 2.24430 -225.66253 561.95578
6070.0000 -233.23491 -225.92834 7.30656 2.21489 -226.26184 552.85361
6075.0000 -232.82252 -225.82341 6.99911 2.20711 -226.42042 551.02232
6080.0000 -232.49893 -226.08029 6.41863 2.19880 -226.58966 550.62522
6085.0000 -233.22544 -226.60284 6.62260 2.19807 -226.60453 549.74805
6090.0000 -234.93887 -228.77223 6.16663 2.15300 -227.52302 561.53821
6095.0000 -234.36219 -227.15631 7.20588 2.15044 -227.57527 555.33765
6100.0000 -232.84802 -225.67534 7.17268 2.21706 -226.21759 594.70975
6105.0000 -234.24974 -227.15939 7.09035 2.21699 -226.21908 599.90296
6110.0000 -232.80510 -226.30890 6.49619 2.21471 -226.26559 578.61017
6115.0000 -234.58717 -227.55532 7.03185 2.16844 -227.20849 543.96601
6120.0000 -235.70204 -229.57060 6.13143 2.08798 -228.84824 503.92853
6125.0000 -235.71791 -228.55695 7.16096 2.10321 -228.53777 511.75992
6130.0000 -235.32805 -228.95477 6.37328 2.10778 -228.44462 519.30196
6135.0000 -235.07436 -229.55406 5.52031 2.09454 -228.71451 511.95894
6140.0000 -233.68440 -227.29505 6.38935 2.10912 -228.41739 523.15331
6145.0000 -234.83822 -228.55810 6.28012 2.11984 -228.19895 548.14819
6150.0000 -234.19875 -227.24684 6.95191 2.13168 -227.95758 545.35405
6155.0000 -233.98443 -227.70777 6.27667 2.13500 -227.88993 540.38062
6160.0000 -233.64435 -226.90329 6.74107 2.16021 -227.37627 552.64195
6165.0000 -232.85528 -225.91678 6.93850 2.21506 -226.25836 580.54649
6170.0000 -233.68914 -228.01523 5.67391 2.16980 -227.18079 538.55918
6175.0000 -234.31803 -227.92932 6.38871 2.15675 -227.44666 526.52171
6180.0000 -233.93996 -227.99674 5.94322 2.11640 -228.26899 506.75571
6185.0000 -234.39163 -227.90106 6.49056 2.16564 -227.26559 535.88144
6190.0000 -233.97831 -227.69917 6.27915 2.12418 -228.11043 502.95589
6195.0000 -233.98560 -226.64681 7.33879 2.14702 -227.64497 533.61799
6200.0000 -233.78251 -227.64506 6.13745 2.18468 -226.87748 538.97343
6205.0000 -232.72337 -225.79393 6.92944 2.17313 -227.11285 527.01402
6210.0000 -231.59065 -224.27152 7.31913 2.27326 -225.07221 601.05361
6215.0000 -231.63813 -224.93217 6.70596 2.27081 -225.12218 576.48147
6220.0000 -232.94049 -226.50440 6.43609 2.24587 -225.63038 553.91049
6225.0000 -233.28468 -226.75368 6.53100 2.19186 -226.73117 527.61499
6230.0000 -232.27133 -226.07739 6.19394 2.20746 -226.41330 562.48041
6235.0000 -233.17661 -226.30933 6.86728 2.22377 -226.08080 574.14552
6240.0000 -233.12685 -226.81900 6.30785 2.18471 -226.87691 535.90859
6245.0000 -232.92446 -226.41146 6.51300 2.19765 -226.61325 555.35096
6250.0000 -234.17468 -227.72448 6.45020 2.17858 -227.00170 518.66842
FREEZING PROCESS: loop number 26 T-loop= 526.00000000000000
main_MD> interactions number 26 at Temperature= 526.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16484 -0.76994 -3.52861
force_rgl> df(natom) 1.78344 0.05822 0.66750
6255.0000 -233.98681 -228.33289 5.65391 2.12812 -228.03013 484.55264
6260.0000 -233.37028 -227.87217 5.49811 2.11380 -228.32197 483.89498
6265.0000 -232.79933 -227.65547 5.14385 2.15995 -227.38148 525.30648
6270.0000 -234.33894 -228.11471 6.22422 2.14143 -227.75896 506.34882
6275.0000 -233.20405 -227.40192 5.80213 2.15779 -227.42548 485.61082
6280.0000 -231.37467 -225.35913 6.01554 2.21681 -226.22271 525.14135
6285.0000 -233.29815 -226.44548 6.85266 2.23125 -225.92846 532.90260
6290.0000 -232.62230 -225.51316 7.10915 2.21359 -226.28833 569.58967
6295.0000 -233.45308 -226.67481 6.77827 2.23098 -225.93392 607.91557
6300.0000 -235.60795 -229.59349 6.01447 2.11989 -228.19790 531.89292
6305.0000 -235.90221 -229.43585 6.46636 2.03436 -229.94095 460.01229
6310.0000 -234.86283 -229.16879 5.69404 2.07188 -229.17621 490.87476
6315.0000 -235.47672 -228.75958 6.71714 2.10443 -228.51298 514.23514
6320.0000 -234.59707 -227.53754 7.05953 2.13186 -227.95390 539.31410
6325.0000 -234.74372 -227.89458 6.84914 2.15807 -227.41977 564.21021
6330.0000 -234.45194 -227.72281 6.72912 2.12102 -228.17487 532.65889
6335.0000 -234.09053 -227.15255 6.93798 2.12587 -228.07599 515.15630
6340.0000 -233.61428 -227.27630 6.33798 2.18057 -226.96117 569.95435
6345.0000 -234.37471 -228.61587 5.75884 2.16411 -227.29671 560.63785
6350.0000 -235.39863 -228.86896 6.52967 2.05915 -229.43562 491.56579
6355.0000 -234.29464 -228.04733 6.24730 2.09436 -228.71821 515.49847
6360.0000 -233.65160 -228.32693 5.32467 2.13180 -227.95521 539.24303
6365.0000 -234.24107 -227.96476 6.27631 2.13033 -227.98510 533.35138
6370.0000 -234.89465 -227.84531 7.04934 2.14758 -227.63360 538.35916
6375.0000 -234.68323 -228.62843 6.05480 2.10324 -228.53720 523.33295
6380.0000 -233.66571 -226.59403 7.07168 2.15607 -227.46054 558.63745
6385.0000 -234.12916 -228.07220 6.05696 2.16793 -227.21889 546.08277
6390.0000 -234.58280 -228.12066 6.46214 2.09797 -228.64452 497.69007
6395.0000 -234.21488 -227.68252 6.53236 2.12280 -228.13855 504.68925
6400.0000 -233.76222 -227.09721 6.66501 2.16914 -227.19420 553.39386
6405.0000 -234.02658 -227.06630 6.96027 2.15095 -227.56491 538.99155
6410.0000 -234.43342 -228.15173 6.28169 2.13132 -227.96497 518.30659
6415.0000 -233.72467 -227.45926 6.26541 2.13793 -227.83032 531.59704
6420.0000 -233.27596 -226.84497 6.43099 2.17912 -226.99070 574.24133
6425.0000 -233.93465 -226.76605 7.16859 2.16211 -227.33749 544.60562
6430.0000 -233.94206 -227.38320 6.55887 2.17391 -227.09701 544.51550
6435.0000 -234.39933 -227.75173 6.64760 2.15747 -227.43195 543.25039
6440.0000 -234.43612 -227.49857 6.93755 2.13180 -227.95518 529.27259
6445.0000 -234.49373 -228.64051 5.85322 2.15372 -227.50834 551.99602
6450.0000 -235.26363 -229.70470 5.55893 2.08267 -228.95630 493.73819
6455.0000 -234.93238 -229.33546 5.59692 2.06436 -229.32955 499.14716
6460.0000 -234.76019 -228.93923 5.82096 2.07172 -229.17953 485.17208
6465.0000 -234.58592 -228.88932 5.69660 2.07979 -229.01513 489.60147
6470.0000 -234.56989 -228.66895 5.90094 2.07353 -229.14265 484.18258
6475.0000 -235.00241 -229.29348 5.70893 2.08891 -228.82925 493.36805
6480.0000 -234.56056 -229.47357 5.08699 2.07396 -229.13393 491.95081
6485.0000 -234.70161 -228.71250 5.98911 2.05635 -229.49276 481.47330
6490.0000 -235.78423 -230.14843 5.63580 2.06526 -229.31117 487.35460
6495.0000 -234.32000 -228.42314 5.89685 2.06890 -229.23709 494.29015
6500.0000 -234.04440 -228.28414 5.76027 2.09120 -228.78255 499.85670
FREEZING PROCESS: loop number 27 T-loop= 501.00000000000000
main_MD> interactions number 27 at Temperature= 501.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10351 1.47583 -3.59936
force_rgl> df(natom) -0.16284 -0.22035 -0.87738
6505.0000 -235.47501 -229.52778 5.94723 2.07218 -229.17027 483.16899
6510.0000 -234.32281 -228.59781 5.72501 2.07269 -229.15979 485.44436
6515.0000 -232.92756 -227.23507 5.69248 2.14178 -227.75180 517.95649
6520.0000 -234.65111 -229.04057 5.61054 2.11900 -228.21608 507.77608
6525.0000 -234.24882 -228.11989 6.12892 2.11342 -228.32973 513.27765
6530.0000 -234.91183 -228.61953 6.29229 2.10025 -228.59815 498.35569
6535.0000 -233.88636 -227.89972 5.98664 2.08667 -228.87490 490.02749
6540.0000 -233.89364 -227.67210 6.22154 2.14144 -227.75871 516.03871
6545.0000 -234.05007 -227.87654 6.17354 2.15622 -227.45757 523.07702
6550.0000 -234.86525 -228.45961 6.40564 2.11326 -228.33302 507.03327
6555.0000 -234.83093 -228.80765 6.02328 2.09340 -228.73762 503.68969
6560.0000 -234.22811 -228.40316 5.82495 2.08535 -228.90170 480.36919
6565.0000 -234.16824 -228.54827 5.61998 2.07562 -229.10005 481.67197
6570.0000 -234.47936 -228.49539 5.98398 2.08622 -228.88409 496.62701
6575.0000 -234.28602 -228.38267 5.90335 2.09708 -228.66271 500.01906
6580.0000 -234.42583 -228.93613 5.48969 2.09595 -228.68571 489.99891
6585.0000 -234.91734 -229.07472 5.84262 2.07503 -229.11217 458.76840
6590.0000 -233.07903 -226.67214 6.40688 2.11437 -228.31027 487.11986
6595.0000 -233.88965 -227.45207 6.43758 2.15813 -227.41847 518.10433
6600.0000 -234.68128 -228.28367 6.39762 2.13222 -227.94656 501.62728
6605.0000 -234.63811 -228.28579 6.35232 2.10953 -228.40908 493.30889
6610.0000 -234.21378 -227.94965 6.26413 2.12582 -228.07708 504.81767
6615.0000 -232.89629 -227.06303 5.83326 2.14023 -227.78325 523.42696
6620.0000 -233.95278 -227.51476 6.43802 2.11639 -228.26927 487.20310
6625.0000 -232.36967 -225.67064 6.69903 2.21968 -226.16414 556.71834
6630.0000 -232.98144 -226.82225 6.15919 2.20892 -226.38342 538.37109
6635.0000 -233.53789 -226.93896 6.59892 2.17048 -227.16695 522.15021
6640.0000 -232.13301 -227.07785 5.05515 2.18878 -226.79389 519.00703
6645.0000 -233.49286 -227.05189 6.44097 2.16933 -227.19027 511.43290
6650.0000 -233.89503 -228.41226 5.48278 2.14099 -227.76791 496.71477
6655.0000 -234.23703 -227.80461 6.43242 2.12127 -228.16969 495.41761
6660.0000 -234.38616 -227.89342 6.49274 2.15811 -227.41889 531.05355
6665.0000 -235.19384 -229.68214 5.51170 2.08984 -228.81017 481.25375
6670.0000 -233.93204 -227.10899 6.82305 2.10550 -228.49119 486.35620
6675.0000 -234.51990 -227.25476 7.26514 2.14436 -227.69921 507.16696
6680.0000 -235.65199 -229.82675 5.82523 2.08798 -228.84812 481.71382
6685.0000 -234.89749 -229.13795 5.75954 2.05088 -229.60428 474.32051
6690.0000 -235.67377 -230.27295 5.40082 2.07578 -229.09689 491.99615
6695.0000 -235.01195 -229.33590 5.67605 2.05173 -229.58686 476.81725
6700.0000 -234.17828 -228.13577 6.04250 2.10541 -228.49299 501.74864
6705.0000 -233.71485 -227.90054 5.81431 2.10185 -228.56551 479.22700
6710.0000 -233.84404 -227.78007 6.06397 2.13852 -227.81817 497.62218
6715.0000 -234.33325 -227.97003 6.36322 2.14430 -227.70033 513.56570
6720.0000 -233.56992 -227.84467 5.72524 2.12452 -228.10347 501.63299
6725.0000 -233.65183 -228.00457 5.64726 2.13348 -227.92083 500.83018
6730.0000 -234.38789 -228.47780 5.91009 2.09045 -228.79792 479.18415
6735.0000 -233.97062 -227.85351 6.11711 2.13198 -227.95144 517.79580
6740.0000 -234.20523 -227.88741 6.31782 2.12889 -228.01445 506.50763
6745.0000 -233.40309 -227.75455 5.64854 2.12935 -228.00503 512.01598
6750.0000 -233.91023 -228.45562 5.45461 2.13044 -227.98281 496.52262
FREEZING PROCESS: loop number 28 T-loop= 476.00000000000000
main_MD> interactions number 28 at Temperature= 476.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47518 -0.95181 -0.87320
force_rgl> df(natom) 1.63071 -0.63037 -0.06342
6755.0000 -234.39742 -228.60530 5.79212 2.12283 -228.13802 494.20874
6760.0000 -234.14460 -228.15381 5.99079 2.12306 -228.13326 505.55956
6765.0000 -234.22648 -228.75549 5.47099 2.08908 -228.82579 482.76300
6770.0000 -233.15042 -227.73098 5.41944 2.13298 -227.93115 505.87850
6775.0000 -234.42687 -228.40870 6.01817 2.11093 -228.38052 498.59625
6780.0000 -235.44474 -229.24886 6.19588 2.08991 -228.80886 487.64904
6785.0000 -235.25094 -229.93682 5.31412 2.05372 -229.54644 455.71760
6790.0000 -234.77890 -230.05540 4.72350 2.03232 -229.98245 447.31715
6795.0000 -234.88387 -229.54642 5.33745 2.06390 -229.33884 471.86876
6800.0000 -235.40567 -229.17835 6.22732 2.08868 -228.83400 490.49809
6805.0000 -234.60956 -228.56364 6.04592 2.08607 -228.88700 492.19960
6810.0000 -236.20438 -230.75610 5.44828 2.01506 -230.33432 437.07880
6815.0000 -235.25833 -230.80241 4.45593 2.00483 -230.54282 435.73708
6820.0000 -235.68301 -229.35948 6.32352 2.01998 -230.23404 450.32005
6825.0000 -234.80303 -229.43659 5.36644 2.05088 -229.60419 464.46436
6830.0000 -235.54035 -229.72280 5.81755 2.03778 -229.87120 452.95401
6835.0000 -235.24220 -230.05252 5.18968 2.02915 -230.04710 439.17728
6840.0000 -234.35530 -228.50167 5.85363 2.07340 -229.14536 477.46057
6845.0000 -234.86010 -229.25883 5.60127 2.08904 -228.82653 495.38265
6850.0000 -235.65857 -229.97816 5.68041 2.03236 -229.98169 449.54936
6855.0000 -234.27948 -228.04097 6.23851 2.07859 -229.03944 479.55981
6860.0000 -234.30881 -227.45466 6.85414 2.11923 -228.21131 524.06665
6865.0000 -236.23362 -229.20204 7.03158 2.10124 -228.57792 508.58693
6870.0000 -234.37459 -228.34490 6.02969 2.08610 -228.88651 498.40043
6875.0000 -234.15904 -228.30053 5.85851 2.14048 -227.77834 524.89735
6880.0000 -235.98435 -230.44550 5.53885 2.06527 -229.31089 467.65674
6885.0000 -235.00682 -229.26079 5.74603 2.04614 -229.70088 459.74669
6890.0000 -235.26535 -228.98520 6.28014 2.08492 -228.91049 491.37660
6895.0000 -235.54200 -230.31304 5.22896 2.04346 -229.75541 462.87635
6900.0000 -235.07758 -229.37372 5.70386 2.03917 -229.84280 460.69499
6905.0000 -234.64648 -228.48637 6.16011 2.07648 -229.08252 484.91749
6910.0000 -234.98596 -230.45671 4.52925 2.05454 -229.52968 479.88268
6915.0000 -235.14787 -229.46059 5.68728 2.03298 -229.96912 468.04157
6920.0000 -235.42312 -229.39148 6.03164 2.07565 -229.09935 500.80982
6925.0000 -235.36630 -230.38118 4.98513 2.03774 -229.87202 470.38274
6930.0000 -235.99502 -230.38018 5.61484 2.00532 -230.53274 449.33146
6935.0000 -236.52206 -231.35266 5.16940 1.98956 -230.85396 435.67457
6940.0000 -235.76521 -230.27966 5.48555 2.00523 -230.53458 441.87971
6945.0000 -235.41668 -229.68473 5.73196 2.02651 -230.10100 462.90248
6950.0000 -235.65517 -230.58717 5.06800 2.03505 -229.92677 466.11297
6955.0000 -235.57599 -230.80987 4.76613 1.99313 -230.78116 434.30143
6960.0000 -235.18715 -230.11251 5.07464 2.02650 -230.10107 452.82637
6965.0000 -234.49447 -229.20381 5.29065 2.07014 -229.21178 479.10774
6970.0000 -234.83513 -228.70492 6.13022 2.07855 -229.04038 486.61761
6975.0000 -235.53572 -228.96559 6.57013 2.09739 -228.65647 505.57102
6980.0000 -234.61051 -228.14996 6.46055 2.10101 -228.58257 508.77187
6985.0000 -235.29379 -229.27115 6.02263 2.11346 -228.32891 536.64685
6990.0000 -235.87995 -229.77570 6.10426 2.06176 -229.38244 496.40338
6995.0000 -235.51462 -229.76465 5.74997 2.05347 -229.55137 486.49318
7000.0000 -235.92914 -229.86483 6.06430 2.04565 -229.71089 471.88411
FREEZING PROCESS: loop number 29 T-loop= 451.00000000000000
main_MD> interactions number 29 at Temperature= 451.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26289 1.01151 2.11565
force_rgl> df(natom) 3.38183 -4.65051 0.61281
7005.0000 -235.35143 -230.19654 5.15489 2.04876 -229.64745 474.39816
7010.0000 -235.58828 -230.87607 4.71221 1.99457 -230.75190 443.03680
7015.0000 -235.75539 -231.29933 4.45606 1.95840 -231.48899 409.64442
7020.0000 -236.77486 -231.82668 4.94818 1.97590 -231.13234 427.99435
7025.0000 -235.76683 -230.78296 4.98387 1.97518 -231.14699 422.86421
7030.0000 -236.16363 -230.77393 5.38970 1.98387 -230.96992 431.47859
7035.0000 -235.83142 -230.75697 5.07445 1.99380 -230.76757 442.44808
7040.0000 -235.65512 -229.93830 5.71682 2.00141 -230.61247 444.87147
7045.0000 -236.12683 -230.37668 5.75015 2.02674 -230.09626 469.78910
7050.0000 -236.21662 -230.75933 5.45728 2.02748 -230.08115 473.92644
7055.0000 -236.11465 -231.02398 5.09066 1.98673 -230.91151 440.19490
7060.0000 -235.42111 -230.23402 5.18708 2.00691 -230.50042 449.06658
7065.0000 -235.97920 -230.67053 5.30867 2.00873 -230.46324 454.86463
7070.0000 -235.64634 -230.36376 5.28258 1.98174 -231.01331 437.13857
7075.0000 -236.37779 -229.23828 7.13951 2.02945 -230.04092 470.60041
7080.0000 -234.78064 -229.96743 4.81321 2.06113 -229.39531 500.51081
7085.0000 -235.36995 -230.79553 4.57442 2.01631 -230.30867 456.41473
7090.0000 -236.29426 -231.44366 4.85060 1.98649 -230.91649 439.70804
7095.0000 -236.08530 -230.38981 5.69549 1.97389 -231.17330 426.16075
7100.0000 -235.36903 -229.46705 5.90198 2.04004 -229.82524 480.32254
7105.0000 -236.47125 -231.36538 5.10587 2.01555 -230.32430 466.49861
7110.0000 -236.88019 -231.84084 5.03934 1.98679 -230.91029 440.62704
7115.0000 -236.24241 -230.46511 5.77730 1.95960 -231.46443 421.68577
7120.0000 -235.87243 -230.28440 5.58803 2.00600 -230.51880 449.54724
7125.0000 -236.10410 -230.99616 5.10794 2.00521 -230.53502 454.59873
7130.0000 -235.98838 -231.35547 4.63290 1.97616 -231.12695 435.30458
7135.0000 -235.80653 -230.54424 5.26229 1.97736 -231.10245 437.70831
7140.0000 -235.43451 -230.25691 5.17759 1.99780 -230.68597 449.60039
7145.0000 -235.54827 -229.39426 6.15401 2.03001 -230.02948 472.30782
7150.0000 -235.42596 -230.52967 4.89629 2.02891 -230.05191 473.53779
7155.0000 -235.23809 -229.79897 5.43913 2.00490 -230.54134 444.32872
7160.0000 -235.42970 -230.35045 5.07925 2.02702 -230.09060 448.98358
7165.0000 -236.69176 -231.87918 4.81258 1.96249 -231.40551 409.30499
7170.0000 -235.81685 -230.29785 5.51900 1.98168 -231.01450 423.72297
7175.0000 -235.35587 -229.71720 5.63867 2.03628 -229.90185 463.48685
7180.0000 -235.44889 -229.30585 6.14305 2.04132 -229.79899 474.87740
7185.0000 -235.60180 -229.52834 6.07345 2.07035 -229.20742 495.61323
7190.0000 -235.32266 -229.31433 6.00833 2.06587 -229.29871 489.91802
7195.0000 -234.89483 -229.70729 5.18754 2.09041 -228.79873 499.71680
7200.0000 -235.73025 -230.41080 5.31945 2.02530 -230.12557 449.24124
7205.0000 -235.95354 -230.58677 5.36677 2.02072 -230.21890 444.45239
7210.0000 -235.25689 -230.33267 4.92422 1.99447 -230.75390 439.33165
7215.0000 -236.01890 -230.31702 5.70188 2.00192 -230.60207 442.04184
7220.0000 -236.14899 -230.28611 5.86288 2.00182 -230.60398 443.64452
7225.0000 -235.22152 -229.47820 5.74332 2.01758 -230.28294 448.53208
7230.0000 -235.70193 -229.68897 6.01296 2.05699 -229.47963 490.09326
7235.0000 -235.76951 -230.64205 5.12747 2.00552 -230.52873 450.71608
7240.0000 -235.54888 -230.21500 5.33388 2.04062 -229.81334 475.42473
7245.0000 -235.32226 -229.69657 5.62569 2.05582 -229.50348 486.16806
7250.0000 -235.20004 -229.36073 5.83931 2.03732 -229.88065 485.81626
FREEZING PROCESS: loop number 30 T-loop= 426.00000000000000
main_MD> interactions number 30 at Temperature= 426.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.96691 2.70765 -2.92905
force_rgl> df(natom) 0.57953 -0.87773 3.21362
7255.0000 -236.12106 -230.42129 5.69977 2.03718 -229.88354 472.66806
7260.0000 -235.79438 -230.72953 5.06485 2.00799 -230.47833 455.70972
7265.0000 -236.35801 -231.19443 5.16358 1.97354 -231.18033 430.90458
7270.0000 -236.07848 -231.07020 5.00828 1.96365 -231.38199 417.07871
7275.0000 -236.40630 -231.68279 4.72351 1.98323 -230.98286 424.58382
7280.0000 -236.13457 -230.54197 5.59260 1.98209 -231.00615 423.50992
7285.0000 -235.65173 -230.27230 5.37943 2.01144 -230.40808 449.81927
7290.0000 -236.35168 -230.51510 5.83658 2.00793 -230.47964 452.06841
7295.0000 -236.45940 -231.01174 5.44766 1.99604 -230.72176 446.45893
7300.0000 -236.73606 -231.31347 5.42259 1.98066 -231.03532 452.81074
7305.0000 -237.23466 -232.11594 5.11872 1.95153 -231.62904 432.12843
7310.0000 -237.68555 -232.17051 5.51504 1.92964 -232.07510 418.45427
7315.0000 -237.20949 -232.07313 5.13636 1.94266 -231.80975 427.29448
7320.0000 -236.88484 -232.18356 4.70128 1.92180 -232.23483 412.86858
7325.0000 -236.84431 -231.75217 5.09213 1.92433 -232.18331 417.47279
7330.0000 -236.75142 -232.38618 4.36523 1.92261 -232.21841 409.15187
7335.0000 -236.61893 -231.68048 4.93846 1.93751 -231.91458 423.25125
7340.0000 -237.04157 -232.48216 4.55940 1.92551 -232.15914 413.71897
7345.0000 -237.29703 -232.00586 5.29116 1.91328 -232.40838 406.00860
7350.0000 -237.69291 -233.14987 4.54305 1.88532 -232.97825 393.06393
7355.0000 -237.49940 -232.36806 5.13134 1.89567 -232.76739 392.43547
7360.0000 -237.40035 -232.14699 5.25336 1.93377 -231.99092 424.38262
7365.0000 -236.86632 -231.55620 5.31012 1.94292 -231.80449 427.69681
7370.0000 -236.83031 -231.52736 5.30295 1.96727 -231.30824 445.73640
7375.0000 -235.72462 -231.21615 4.50846 1.96578 -231.33855 446.50491
7380.0000 -236.26342 -231.93362 4.32980 1.96331 -231.38895 439.51653
7385.0000 -236.53069 -232.13026 4.40043 1.92386 -232.19274 413.05886
7390.0000 -236.89424 -232.09070 4.80353 1.91543 -232.36468 406.57996
7395.0000 -237.17829 -232.17716 5.00113 1.90470 -232.58322 397.38671
7400.0000 -237.57371 -232.73195 4.84176 1.92491 -232.17138 412.83107
7405.0000 -235.29621 -230.30583 4.99038 1.97726 -231.10463 446.58981
7410.0000 -237.01231 -231.44004 5.57227 1.97077 -231.23681 446.27163
7415.0000 -237.13127 -231.79437 5.33689 1.94115 -231.84058 425.37849
7420.0000 -236.92343 -231.56712 5.35631 1.92763 -232.11597 413.08800
7425.0000 -235.54078 -230.75044 4.79034 1.97734 -231.10287 447.17849
7430.0000 -235.77011 -231.03253 4.73759 1.97709 -231.10810 448.05396
7435.0000 -236.66506 -231.37907 5.28599 1.97850 -231.07934 448.79661
7440.0000 -236.12581 -230.95297 5.17285 1.98754 -230.89512 463.12497
7445.0000 -236.70771 -231.57060 5.13711 1.99001 -230.84482 463.11861
7450.0000 -236.82992 -231.35768 5.47224 1.95348 -231.58924 434.96475
7455.0000 -235.34418 -230.81482 4.52937 1.97525 -231.14555 447.50786
7460.0000 -235.71807 -230.88261 4.83546 1.98072 -231.03416 448.39821
7465.0000 -237.34223 -231.36358 5.97865 1.97803 -231.08893 451.12994
7470.0000 -236.39380 -231.80145 4.59235 1.97130 -231.22613 439.88045
7475.0000 -236.51077 -232.02223 4.48854 1.94902 -231.68003 423.49548
7480.0000 -236.83584 -232.70407 4.13177 1.92041 -232.26310 412.63193
7485.0000 -237.62986 -232.86097 4.76890 1.91678 -232.33716 405.80436
7490.0000 -236.87506 -232.04912 4.82595 1.92267 -232.21708 411.87698
7495.0000 -237.07175 -231.67668 5.39507 1.92156 -232.23964 410.06169
7500.0000 -236.71717 -230.22365 6.49352 1.96061 -231.44400 441.41258
FREEZING PROCESS: loop number 31 T-loop= 401.00000000000000
main_MD> interactions number 31 at Temperature= 401.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41606 -1.07266 -0.41012
force_rgl> df(natom) 1.28118 -1.14755 -3.05120
7505.0000 -236.88602 -231.91923 4.96680 1.96688 -231.31619 442.13228
7510.0000 -237.17835 -231.21913 5.95923 1.95890 -231.47885 435.04466
7515.0000 -237.33557 -232.02601 5.30956 1.95342 -231.59040 434.99880
7520.0000 -236.93774 -231.88338 5.05436 1.92808 -232.10678 415.84420
7525.0000 -236.90968 -232.12137 4.78831 1.94643 -231.73282 428.26552
7530.0000 -237.29117 -232.63481 4.65637 1.90542 -232.56856 397.95387
7535.0000 -237.59565 -232.81635 4.77930 1.89637 -232.75311 394.46919
7540.0000 -237.62582 -232.71102 4.91480 1.88515 -232.98171 384.99699
7545.0000 -237.11174 -232.91013 4.20161 1.86943 -233.30208 370.00892
7550.0000 -237.25706 -232.77320 4.48387 1.89045 -232.87367 385.42834
7555.0000 -237.75704 -232.97665 4.78040 1.89220 -232.83811 388.13427
7560.0000 -237.13585 -232.25628 4.87956 1.90283 -232.62136 394.93777
7565.0000 -236.91739 -232.75531 4.16209 1.90007 -232.67775 393.93454
7570.0000 -237.35865 -232.49437 4.86428 1.90185 -232.64146 392.03100
7575.0000 -237.28317 -232.99402 4.28915 1.88674 -232.94930 382.75108
7580.0000 -237.00844 -232.79445 4.21399 1.89974 -232.68437 389.95810
7585.0000 -237.34905 -233.29332 4.05573 1.87108 -233.26855 372.11186
7590.0000 -237.55608 -232.70471 4.85137 1.88097 -233.06690 378.59340
7595.0000 -236.81168 -231.04667 5.76501 1.93686 -231.92796 420.50761
7600.0000 -237.08061 -231.77432 5.30629 1.95873 -231.48220 439.30002
7605.0000 -237.62237 -233.30783 4.31453 1.91047 -232.46569 401.81190
7610.0000 -237.02954 -232.28204 4.74750 1.88176 -233.05072 380.37740
7615.0000 -237.03517 -231.87964 5.15553 1.92132 -232.24469 411.15707
7620.0000 -237.05148 -231.60579 5.44570 1.94691 -231.72311 429.90133
7625.0000 -237.14441 -232.51412 4.63029 1.92770 -232.11459 411.52480
7630.0000 -237.68156 -232.51106 5.17050 1.90445 -232.58837 395.39901
7635.0000 -237.60599 -233.03018 4.57581 1.88168 -233.05245 380.62223
7640.0000 -237.34604 -232.54666 4.79938 1.88424 -233.00030 383.24007
7645.0000 -236.48991 -232.28710 4.20281 1.90213 -232.63571 396.36398
7650.0000 -237.55143 -233.14551 4.40592 1.88390 -233.00714 379.67065
7655.0000 -237.45839 -232.12982 5.32857 1.93119 -232.04345 416.03678
7660.0000 -237.04682 -232.66816 4.37866 1.87206 -233.24856 372.77278
7665.0000 -237.69330 -232.42603 5.26727 1.92072 -232.25680 408.63396
7670.0000 -238.05518 -233.48806 4.56712 1.89836 -232.71244 391.17105
7675.0000 -236.69817 -231.76986 4.92831 1.90477 -232.58188 396.59348
7680.0000 -237.46322 -232.79817 4.66504 1.93364 -231.99346 418.15151
7685.0000 -237.19550 -232.24154 4.95397 1.91341 -232.40576 401.65133
7690.0000 -237.46241 -231.45029 6.01212 1.92473 -232.17510 411.71993
7695.0000 -236.75257 -231.81688 4.93570 1.96653 -231.32317 447.10079
7700.0000 -237.98555 -233.29584 4.68972 1.88855 -232.91250 383.09792
7705.0000 -237.89716 -232.75685 5.14031 1.90382 -232.60128 397.54991
7710.0000 -237.17941 -232.23853 4.94088 1.91521 -232.36909 406.91962
7715.0000 -237.54165 -232.40053 5.14112 1.90668 -232.54300 395.01090
7720.0000 -236.68610 -232.29042 4.39567 1.91173 -232.44010 400.15677
7725.0000 -237.32643 -232.86272 4.46372 1.89093 -232.86393 387.34992
7730.0000 -236.58298 -232.15497 4.42802 1.90328 -232.61223 393.79800
7735.0000 -236.70119 -232.14244 4.55875 1.90103 -232.65818 396.23391
7740.0000 -237.07126 -232.83671 4.23455 1.91503 -232.37272 404.65338
7745.0000 -237.37072 -232.78989 4.58083 1.90885 -232.49877 400.13077
7750.0000 -238.15026 -233.42279 4.72748 1.88519 -232.98095 382.04731
FREEZING PROCESS: loop number 32 T-loop= 376.00000000000000
main_MD> interactions number 32 at Temperature= 376.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21150 -0.32374 2.30611
force_rgl> df(natom) 0.64508 -1.39737 -0.38182
7755.0000 -237.24250 -232.22253 5.01997 1.88931 -232.89702 387.73092
7760.0000 -237.26918 -232.91825 4.35093 1.92516 -232.16634 413.26490
7765.0000 -237.77688 -232.87719 4.89968 1.86784 -233.33451 369.39452
7770.0000 -237.64944 -233.37129 4.27815 1.88586 -232.96736 382.72336
7775.0000 -238.31229 -233.20640 5.10589 1.85807 -233.53357 359.71512
7780.0000 -237.81181 -233.37259 4.43922 1.88324 -233.02062 376.65121
7785.0000 -237.28882 -232.96659 4.32223 1.85633 -233.56897 360.50982
7790.0000 -238.20612 -233.91628 4.28983 1.85893 -233.51606 360.39605
7795.0000 -237.65611 -232.44004 5.21607 1.88427 -232.99960 381.33962
7800.0000 -237.65465 -232.48125 5.17340 1.91544 -232.36435 399.65399
7805.0000 -236.78096 -231.54104 5.23991 1.92340 -232.20219 409.08215
7810.0000 -237.19290 -233.18237 4.01053 1.89866 -232.70639 390.77928
7815.0000 -237.37402 -232.66644 4.70758 1.87122 -233.26566 370.56191
7820.0000 -237.91730 -232.77988 5.13742 1.90856 -232.50471 398.97045
7825.0000 -237.09439 -233.03375 4.06065 1.88793 -232.92499 384.17188
7830.0000 -238.24466 -234.09657 4.14809 1.86788 -233.33373 367.65513
7835.0000 -237.24240 -232.75992 4.48248 1.85776 -233.53984 361.87224
7840.0000 -237.90884 -233.88765 4.02119 1.85896 -233.51549 357.27032
7845.0000 -238.04342 -233.90665 4.13677 1.85464 -233.60358 355.31011
7850.0000 -237.82827 -233.37854 4.44973 1.85045 -233.68899 354.95906
7855.0000 -237.33241 -232.27814 5.05427 1.89596 -232.76140 394.72829
7860.0000 -237.43773 -232.21845 5.21928 1.91512 -232.37089 407.91866
7865.0000 -237.76114 -232.98602 4.77512 1.90372 -232.60337 396.92444
7870.0000 -238.01993 -233.07745 4.94248 1.89904 -232.69862 391.61635
7875.0000 -237.43319 -232.92107 4.51213 1.86640 -233.36389 364.94767
7880.0000 -237.13003 -232.47974 4.65030 1.89081 -232.86631 383.63956
7885.0000 -237.66248 -233.29315 4.36933 1.90673 -232.54186 398.12353
7890.0000 -237.95899 -233.58541 4.37358 1.86900 -233.31087 367.94941
7895.0000 -238.61050 -234.65495 3.95555 1.83273 -234.05008 340.45201
7900.0000 -237.76491 -233.65990 4.10501 1.82118 -234.28549 334.56922
7905.0000 -237.11500 -232.72052 4.39447 1.86986 -233.29339 372.02268
7910.0000 -236.81001 -231.95697 4.85304 1.92211 -232.22843 410.45136
7915.0000 -238.10677 -233.56796 4.53880 1.88759 -232.93191 384.73766
7920.0000 -237.72518 -233.65550 4.06967 1.84887 -233.72118 352.90755
7925.0000 -237.53370 -232.66214 4.87157 1.86497 -233.39302 366.98770
7930.0000 -237.38661 -233.23410 4.15251 1.88112 -233.06395 377.86684
7935.0000 -237.69593 -233.21105 4.48488 1.87888 -233.10945 377.18485
7940.0000 -237.60797 -233.54892 4.05905 1.84926 -233.71317 353.91729
7945.0000 -237.87204 -234.18206 3.68997 1.84939 -233.71047 355.72602
7950.0000 -237.24606 -232.40377 4.84229 1.85585 -233.57886 358.26090
7955.0000 -237.64802 -232.89737 4.75064 1.89406 -232.80023 390.03264
7960.0000 -237.20512 -232.84249 4.36263 1.87442 -233.20046 374.72210
7965.0000 -236.91698 -232.04266 4.87432 1.89988 -232.68146 394.20164
7970.0000 -236.51042 -231.91080 4.59962 1.93744 -231.91611 424.83564
7975.0000 -238.09925 -233.55578 4.54347 1.90266 -232.62484 395.92187
7980.0000 -237.90195 -233.37960 4.52235 1.87410 -233.20694 371.21829
7985.0000 -237.19489 -232.48606 4.70884 1.87691 -233.14963 377.86815
7990.0000 -237.30278 -233.16570 4.13708 1.87385 -233.21205 370.70446
7995.0000 -237.40482 -233.34461 4.06021 1.87235 -233.24255 371.90621
8000.0000 -238.43987 -233.79586 4.64401 1.86044 -233.48538 366.83985
FREEZING PROCESS: loop number 33 T-loop= 351.00000000000000
main_MD> interactions number 33 at Temperature= 351.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04841 -1.41672 0.13585
force_rgl> df(natom) 1.35928 -3.02904 0.38889
8005.0000 -237.68166 -233.96302 3.71864 1.84481 -233.80376 351.45344
8010.0000 -238.12530 -233.75333 4.37197 1.84459 -233.80836 351.51779
8015.0000 -236.83559 -233.37891 3.45668 1.86815 -233.32823 366.03695
8020.0000 -237.37784 -232.93788 4.43996 1.88288 -233.02800 380.69740
8025.0000 -237.54046 -233.33447 4.20599 1.88667 -232.95072 381.32495
8030.0000 -237.91930 -233.94219 3.97712 1.83933 -233.91557 344.47088
8035.0000 -237.87752 -233.52940 4.34812 1.85184 -233.66048 358.95276
8040.0000 -237.90944 -233.75186 4.15758 1.84293 -233.84205 349.36340
8045.0000 -238.16073 -233.81804 4.34269 1.85257 -233.64561 354.85884
8050.0000 -238.22653 -233.84309 4.38344 1.85361 -233.62452 356.28195
8055.0000 -237.99319 -234.14939 3.84380 1.86171 -233.45940 363.66448
8060.0000 -238.12947 -233.64348 4.48599 1.83078 -234.08967 339.25253
8065.0000 -238.55680 -234.53679 4.02001 1.84360 -233.82852 346.66746
8070.0000 -237.53341 -233.82912 3.70429 1.84593 -233.78107 356.77992
8075.0000 -237.48131 -233.43760 4.04371 1.85147 -233.66806 360.32984
8080.0000 -237.10800 -233.43922 3.66878 1.86375 -233.41777 364.97274
8085.0000 -238.11339 -233.80348 4.30991 1.83008 -234.10402 338.78770
8090.0000 -237.41671 -233.24886 4.16785 1.87367 -233.21564 367.02660
8095.0000 -237.31956 -232.88155 4.43801 1.86037 -233.48669 358.43822
8100.0000 -237.49928 -233.01694 4.48234 1.90358 -232.60616 391.06899
8105.0000 -238.28619 -234.15864 4.12755 1.85653 -233.56491 354.48010
8110.0000 -238.21410 -233.83906 4.37504 1.85387 -233.61925 349.96281
8115.0000 -237.14034 -233.55647 3.58386 1.86209 -233.45161 354.71577
8120.0000 -238.16940 -233.85218 4.31722 1.86129 -233.46798 356.85973
8125.0000 -238.42981 -234.07581 4.35400 1.83805 -233.94151 338.81367
8130.0000 -237.74088 -233.65710 4.08378 1.84628 -233.77390 343.62313
8135.0000 -237.91040 -233.89608 4.01432 1.83125 -234.08013 333.42256
8140.0000 -238.16643 -234.31667 3.84976 1.82537 -234.19996 328.47172
8145.0000 -238.41352 -234.43098 3.98254 1.81817 -234.34670 323.85538
8150.0000 -237.75028 -233.50682 4.24347 1.84573 -233.78504 348.28319
8155.0000 -237.76633 -233.84674 3.91960 1.84276 -233.84567 344.20217
8160.0000 -237.73830 -233.53175 4.20655 1.84788 -233.74129 345.99238
8165.0000 -237.63399 -233.46849 4.16551 1.84401 -233.82023 342.41847
8170.0000 -237.38790 -233.31666 4.07124 1.86584 -233.37523 360.14443
8175.0000 -238.09864 -233.88884 4.20980 1.85172 -233.66295 348.45846
8180.0000 -237.54427 -233.29461 4.24966 1.85445 -233.60746 351.41187
8185.0000 -238.52981 -234.04426 4.48555 1.85768 -233.54149 352.64463
8190.0000 -237.81214 -234.04957 3.76256 1.82972 -234.11142 329.98221
8195.0000 -237.92562 -234.18869 3.73693 1.85603 -233.57524 351.18133
8200.0000 -237.53132 -233.69997 3.83135 1.82921 -234.12166 332.34832
8205.0000 -236.74277 -232.73929 4.00348 1.86117 -233.47047 356.38021
8210.0000 -237.58080 -232.93648 4.64431 1.88072 -233.07209 370.00955
8215.0000 -237.44198 -233.68132 3.76067 1.88642 -232.95588 376.28481
8220.0000 -237.86436 -233.07194 4.79242 1.86809 -233.32930 360.90773
8225.0000 -237.95691 -233.63401 4.32289 1.86462 -233.40007 360.16160
8230.0000 -238.23409 -234.70751 3.52658 1.85061 -233.68564 345.28751
8235.0000 -238.36323 -234.86145 3.50178 1.77489 -235.22876 287.01614
8240.0000 -237.85444 -234.18466 3.66978 1.81385 -234.43486 319.52738
8245.0000 -238.01113 -233.93889 4.07224 1.82882 -234.12977 332.66656
8250.0000 -237.83876 -233.81449 4.02427 1.84180 -233.86525 342.00819
FREEZING PROCESS: loop number 34 T-loop= 326.00000000000000
main_MD> interactions number 34 at Temperature= 326.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96450 3.89319 -0.83346
force_rgl> df(natom) 0.17831 1.92286 -0.52420
8255.0000 -238.05192 -233.99818 4.05374 1.82867 -234.13268 328.68489
8260.0000 -237.90259 -234.48880 3.41379 1.82858 -234.13460 328.02237
8265.0000 -237.99522 -234.69245 3.30277 1.80189 -234.67858 309.35496
8270.0000 -238.54197 -234.55363 3.98835 1.79659 -234.78646 302.58570
8275.0000 -238.19903 -234.41335 3.78568 1.82078 -234.29352 323.59296
8280.0000 -238.72385 -234.57468 4.14918 1.82047 -234.29985 324.43869
8285.0000 -238.40046 -234.44755 3.95291 1.81168 -234.47905 316.55235
8290.0000 -238.50120 -234.50947 3.99173 1.81915 -234.32672 323.83084
8295.0000 -238.02636 -234.24435 3.78202 1.82941 -234.11759 331.61654
8300.0000 -237.72647 -233.96271 3.76377 1.83001 -234.10551 331.48774
8305.0000 -237.98024 -233.79495 4.18529 1.81853 -234.33949 321.75367
8310.0000 -238.17277 -233.86012 4.31264 1.83909 -233.92031 340.08926
8315.0000 -237.15175 -233.07652 4.07522 1.86174 -233.45873 362.99340
8320.0000 -237.74792 -233.48036 4.26755 1.85162 -233.66499 351.15429
8325.0000 -237.97839 -234.51746 3.46093 1.82887 -234.12866 330.76756
8330.0000 -238.40270 -234.32718 4.07553 1.79625 -234.79339 306.08238
8335.0000 -238.55342 -235.07484 3.47858 1.78906 -234.93994 297.53461
8340.0000 -238.49243 -234.99199 3.50045 1.78602 -235.00190 297.22980
8345.0000 -238.07712 -234.18947 3.88765 1.82795 -234.14745 329.88196
8350.0000 -238.10287 -234.10674 3.99614 1.82957 -234.11447 331.38919
8355.0000 -238.06461 -233.89416 4.17045 1.83595 -233.98444 336.89309
8360.0000 -238.75948 -234.23586 4.52362 1.85191 -233.65914 345.84475
8365.0000 -238.59161 -234.25487 4.33674 1.80560 -234.60288 312.25511
8370.0000 -238.11415 -234.13546 3.97869 1.82680 -234.17083 329.22549
8375.0000 -237.89042 -233.50689 4.38353 1.83720 -233.95882 336.37755
8380.0000 -237.66659 -233.48018 4.18641 1.84081 -233.88534 341.14560
8385.0000 -237.85125 -233.50588 4.34537 1.85888 -233.51709 353.94909
8390.0000 -238.32956 -234.60074 3.72882 1.82072 -234.29471 324.47685
8395.0000 -238.28118 -235.01914 3.26204 1.79533 -234.81212 302.44342
8400.0000 -237.70357 -234.67397 3.02960 1.79659 -234.78648 304.65275
8405.0000 -238.31951 -234.33536 3.98415 1.79125 -234.89536 302.00295
8410.0000 -237.69139 -233.84565 3.84574 1.83035 -234.09846 332.82988
8415.0000 -237.52983 -233.25035 4.27948 1.86542 -233.38391 361.05539
8420.0000 -237.25028 -233.38142 3.86886 1.86738 -233.34393 356.49696
8425.0000 -237.98675 -234.00074 3.98601 1.84315 -233.83766 347.00214
8430.0000 -238.66016 -234.98857 3.67159 1.81840 -234.34215 324.51054
8435.0000 -238.49680 -234.34636 4.15045 1.81161 -234.48035 322.98348
8440.0000 -238.15299 -234.17030 3.98268 1.82363 -234.23545 330.93579
8445.0000 -238.20771 -234.15356 4.05415 1.82843 -234.13774 335.09303
8450.0000 -238.20291 -233.75342 4.44949 1.82504 -234.20664 332.41559
8455.0000 -237.34641 -233.92071 3.42570 1.85218 -233.65371 352.82872
8460.0000 -238.02243 -233.85811 4.16432 1.84499 -233.80025 351.42314
8465.0000 -238.60579 -234.50514 4.10065 1.81969 -234.31572 330.19029
8470.0000 -238.98684 -234.83212 4.15473 1.79528 -234.81329 309.36980
8475.0000 -238.13846 -234.47766 3.66080 1.80683 -234.57794 318.57328
8480.0000 -238.38896 -234.47232 3.91663 1.82816 -234.14319 336.52916
8485.0000 -238.91129 -234.87186 4.03943 1.78819 -234.95770 303.96242
8490.0000 -238.91820 -235.02279 3.89541 1.78972 -234.92663 306.09432
8495.0000 -238.87049 -234.94221 3.92828 1.79084 -234.90381 309.68986
8500.0000 -238.29397 -234.48339 3.81058 1.79688 -234.78055 314.06650
FREEZING PROCESS: loop number 35 T-loop= 301.00000000000000
main_MD> interactions number 35 at Temperature= 301.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49420 -3.79804 -0.85119
force_rgl> df(natom) -1.32611 2.42186 0.50299
8505.0000 -238.53419 -235.07125 3.46294 1.80181 -234.68021 312.67434
8510.0000 -239.02488 -235.46039 3.56449 1.79635 -234.79149 310.76876
8515.0000 -238.25954 -235.18352 3.07602 1.78637 -234.99482 303.07678
8520.0000 -238.57156 -235.02004 3.55152 1.76885 -235.35186 288.63371
8525.0000 -239.08465 -235.16850 3.91615 1.79357 -234.84815 310.59036
8530.0000 -238.94628 -235.35497 3.59131 1.77380 -235.25096 290.82252
8535.0000 -238.53771 -234.97994 3.55776 1.76691 -235.39140 287.01814
8540.0000 -238.37639 -235.21033 3.16607 1.77627 -235.20068 295.02485
8545.0000 -238.97441 -235.17144 3.80297 1.79201 -234.87996 308.25173
8550.0000 -238.89996 -235.65721 3.24276 1.76406 -235.44944 284.91907
8555.0000 -237.96322 -234.48154 3.48169 1.76181 -235.49540 281.75399
8560.0000 -238.68254 -235.08167 3.60087 1.79913 -234.73480 312.13852
8565.0000 -238.64411 -235.24066 3.40345 1.78604 -235.00149 305.70349
8570.0000 -238.33889 -234.16749 4.17140 1.78971 -234.92674 306.84340
8575.0000 -238.05992 -234.07037 3.98954 1.82862 -234.13370 334.84687
8580.0000 -238.82613 -235.06545 3.76068 1.79129 -234.89451 308.49322
8585.0000 -238.65009 -235.06758 3.58252 1.78903 -234.94057 309.27278
8590.0000 -239.14280 -235.76461 3.37819 1.76638 -235.40210 289.38805
8595.0000 -238.74677 -235.01440 3.73237 1.76784 -235.37244 287.00110
8600.0000 -238.58370 -234.48452 4.09918 1.79855 -234.74658 311.16840
8605.0000 -238.32311 -234.90516 3.41795 1.79875 -234.74247 313.23135
8610.0000 -238.37724 -235.01685 3.36039 1.77779 -235.16967 297.98189
8615.0000 -238.80235 -235.26428 3.53807 1.78793 -234.96293 308.20664
8620.0000 -238.70488 -235.18693 3.51795 1.76968 -235.33499 291.28720
8625.0000 -238.67976 -234.58306 4.09670 1.79317 -234.85633 306.30450
8630.0000 -238.29418 -234.53090 3.76329 1.78807 -234.96009 302.66115
8635.0000 -238.07332 -234.66612 3.40720 1.79993 -234.71855 314.86085
8640.0000 -238.46704 -235.10813 3.35891 1.79265 -234.86683 308.82312
8645.0000 -238.41047 -235.07325 3.33721 1.78324 -235.05862 301.25513
8650.0000 -239.07681 -235.92786 3.14894 1.75672 -235.59898 279.45316
8655.0000 -238.42658 -234.97132 3.45526 1.76373 -235.45625 284.78151
8660.0000 -238.12382 -234.29612 3.82771 1.81553 -234.40050 324.48200
8665.0000 -238.42232 -234.77723 3.64509 1.80224 -234.67130 317.53424
8670.0000 -237.88897 -233.88701 4.00196 1.81588 -234.39343 326.91393
8675.0000 -238.56780 -234.49519 4.07261 1.83518 -234.00004 341.94087
8680.0000 -238.95996 -235.20293 3.75703 1.80152 -234.68597 315.57694
8685.0000 -238.32648 -234.93014 3.39634 1.77351 -235.25695 292.27841
8690.0000 -238.35687 -235.04524 3.31163 1.78345 -235.05436 301.94546
8695.0000 -238.16540 -234.36443 3.80097 1.79327 -234.85417 308.83054
8700.0000 -238.34497 -234.88554 3.45943 1.80947 -234.52394 320.20289
8705.0000 -238.49749 -234.76249 3.73501 1.80066 -234.70366 312.97065
8710.0000 -238.60721 -234.77031 3.83690 1.79114 -234.89758 306.79892
8715.0000 -238.45746 -234.83781 3.61965 1.81443 -234.42304 328.18684
8720.0000 -238.46970 -234.98193 3.48777 1.79607 -234.79718 311.80385
8725.0000 -238.53964 -234.40819 4.13145 1.80616 -234.59143 319.61796
8730.0000 -238.66910 -235.16012 3.50898 1.79224 -234.87518 306.60254
8735.0000 -238.91547 -235.30213 3.61334 1.76631 -235.40367 286.27258
8740.0000 -238.56809 -235.03983 3.52826 1.77630 -235.20003 294.52287
8745.0000 -238.60672 -234.66815 3.93858 1.80191 -234.67816 314.27532
8750.0000 -238.75492 -235.54996 3.20496 1.79217 -234.87655 305.17034
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 34.6315140 [s].
main_MD> Deallocating global variables
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