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nanoparticlesims/growth_Melting_Silver_ICO_2451/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> 0.10185172505118963 -4.2316300062428279E-002 -0.10124543638765808 initial drift of cluster / NP1 for coalescence
init> 0.33627036429110257 0.35201889151391780 0.34593505649642120 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7114752255474654E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27837 3.20748 -0.93895
force_rgl> df(natom) 1.51256 0.04969 -1.36696
preparo> THERMALIZATION PROCESS AT 1196.7789730966629
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -200.05538186404121 14.800445928522603 -214.85582779256382 7.3520038885618519E-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= 1170.0000000000000
main_MD> interactions number 1 at Temperature= 1170.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83605 -2.61821 -0.90334
force_rgl> df(natom) -0.65439 0.34634 0.92970
5.0000 -217.19285 -200.84567 16.34718 3.48986 -200.27872 1284.30705
10.0000 -219.16034 -204.65419 14.50614 3.35345 -203.05872 1270.94314
15.0000 -216.92823 -203.92605 13.00219 3.32491 -203.64021 1200.12304
20.0000 -219.63912 -207.17281 12.46632 3.27551 -204.64702 1185.05242
25.0000 -218.28597 -206.66565 11.62032 3.16343 -206.93112 1125.27618
30.0000 -217.15474 -203.35188 13.80286 3.37052 -202.71067 1257.46701
35.0000 -216.07170 -200.74413 15.32758 3.36174 -202.88974 1225.34988
40.0000 -219.46267 -205.54097 13.92169 3.30664 -204.01249 1214.51529
45.0000 -221.22784 -205.42123 15.80661 3.20241 -206.13664 1157.42017
50.0000 -219.75736 -206.70334 13.05402 3.19083 -206.37263 1112.82986
55.0000 -218.81761 -205.86232 12.95529 3.15288 -207.14618 1122.24390
60.0000 -215.32252 -202.09945 13.22307 3.39896 -202.13118 1240.82150
65.0000 -218.72408 -204.59576 14.12832 3.32082 -203.72361 1200.38161
70.0000 -217.22682 -202.96348 14.26334 3.28549 -204.44358 1167.14681
75.0000 -216.50197 -203.97150 12.53047 3.38307 -202.45496 1223.42457
80.0000 -217.18817 -202.01895 15.16923 3.35460 -203.03528 1226.02311
85.0000 -217.72452 -204.11969 13.60483 3.35576 -203.01149 1234.99475
90.0000 -220.62998 -205.51894 15.11104 3.26560 -204.84893 1160.65520
95.0000 -220.52262 -207.29361 13.22900 3.25369 -205.09165 1197.41525
100.0000 -220.31455 -205.96379 14.35076 3.16609 -206.87694 1125.93850
105.0000 -219.72701 -207.49388 12.23314 3.15539 -207.09503 1137.07349
110.0000 -219.27648 -206.16613 13.11035 3.13740 -207.46164 1118.95340
115.0000 -218.56458 -206.30080 12.26378 3.25284 -205.10908 1156.65461
120.0000 -218.12703 -204.56888 13.55815 3.20642 -206.05507 1149.12940
125.0000 -219.02385 -205.63287 13.39098 3.25072 -205.15219 1170.87870
130.0000 -219.51298 -206.07868 13.43430 3.20288 -206.12708 1124.35056
135.0000 -219.51032 -205.88243 13.62789 3.19888 -206.20871 1137.84731
140.0000 -217.91490 -204.28287 13.63203 3.29207 -204.30960 1198.26783
145.0000 -217.79003 -205.90568 11.88435 3.30140 -204.11927 1175.98780
150.0000 -219.17594 -204.29290 14.88304 3.29089 -204.33354 1211.98410
155.0000 -220.05332 -205.07679 14.97653 3.27503 -204.65670 1210.08165
160.0000 -219.87533 -204.50874 15.36659 3.22177 -205.74225 1124.13872
165.0000 -217.34715 -205.25877 12.08838 3.24791 -205.20941 1157.32355
170.0000 -218.29302 -205.04128 13.25173 3.22764 -205.62253 1102.96245
175.0000 -219.28494 -203.06786 16.21708 3.30635 -204.01850 1214.18813
180.0000 -220.63322 -205.01868 15.61454 3.24768 -205.21415 1171.09741
185.0000 -217.58798 -202.10667 15.48131 3.32290 -203.68121 1197.80435
190.0000 -218.46212 -202.12277 16.33935 3.38180 -202.48084 1251.45738
195.0000 -214.88347 -199.75912 15.12435 3.48435 -200.39098 1298.57039
200.0000 -218.99889 -202.36421 16.63468 3.42234 -201.65473 1260.36701
205.0000 -216.64176 -200.41523 16.22653 3.40102 -202.08920 1268.71342
210.0000 -218.92154 -203.48509 15.43645 3.40967 -201.91282 1222.11995
215.0000 -217.70306 -204.43758 13.26547 3.36121 -202.90052 1237.21347
220.0000 -216.14992 -200.54151 15.60841 3.43044 -201.48962 1277.00785
225.0000 -216.74860 -202.87409 13.87450 3.40991 -201.90791 1274.02390
230.0000 -215.17783 -200.88696 14.29086 3.43632 -201.36988 1246.36464
235.0000 -218.50665 -203.84774 14.65892 3.47613 -200.55856 1274.10616
240.0000 -217.59563 -204.06625 13.52938 3.29732 -204.20257 1221.87323
245.0000 -218.54942 -204.80228 13.74714 3.26747 -204.81094 1186.22163
250.0000 -217.50411 -203.52728 13.97683 3.26588 -204.84332 1154.65409
FREEZING PROCESS: loop number 2 T-loop= 1145.0000000000000
main_MD> interactions number 2 at Temperature= 1145.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.75948 1.09715 -0.30664
force_rgl> df(natom) -1.11261 -2.31808 -2.79806
255.0000 -219.03579 -206.84767 12.18812 3.29411 -204.26797 1191.47842
260.0000 -218.99571 -204.60251 14.39320 3.25077 -205.15114 1179.20350
265.0000 -216.78087 -203.53639 13.24448 3.30584 -204.02884 1199.93186
270.0000 -219.09971 -206.32146 12.77825 3.25327 -205.10033 1147.05241
275.0000 -218.47210 -204.91860 13.55350 3.22433 -205.69001 1162.78983
280.0000 -219.86526 -205.05256 14.81269 3.28961 -204.35972 1194.36979
285.0000 -222.39669 -207.95345 14.44324 3.25548 -205.05530 1187.83243
290.0000 -219.20386 -205.04162 14.16224 3.16000 -207.00108 1093.85360
295.0000 -217.75168 -203.76593 13.98575 3.31947 -203.75117 1189.45407
300.0000 -219.41895 -204.72431 14.69464 3.29780 -204.19282 1189.08054
305.0000 -219.24322 -206.25136 12.99185 3.23289 -205.51560 1169.07920
310.0000 -216.43003 -201.84569 14.58434 3.34236 -203.28469 1219.73859
315.0000 -219.46060 -206.17356 13.28704 3.36623 -202.79817 1221.08848
320.0000 -220.00049 -206.41140 13.58909 3.16219 -206.95642 1113.89350
325.0000 -216.24947 -204.28032 11.96914 3.25494 -205.06627 1181.02219
330.0000 -219.77217 -207.11331 12.65886 3.17658 -206.66317 1141.47870
335.0000 -220.59808 -206.06903 14.52905 3.16408 -206.91798 1125.35938
340.0000 -218.23380 -205.41315 12.82065 3.17409 -206.71394 1138.63051
345.0000 -221.75061 -208.60242 13.14819 3.16108 -206.97891 1088.69674
350.0000 -221.02175 -208.17009 12.85167 3.06668 -208.90273 1066.49486
355.0000 -221.47695 -206.40874 15.06821 3.13759 -207.45775 1126.53075
360.0000 -223.76630 -210.42183 13.34447 3.10374 -208.14754 1065.82637
365.0000 -221.16274 -205.64803 15.51472 3.09848 -208.25473 1071.57260
370.0000 -221.09313 -208.35179 12.74134 3.24250 -205.31967 1152.86244
375.0000 -221.58863 -208.89672 12.69192 3.06279 -208.98211 1072.28338
380.0000 -221.19372 -208.82748 12.36623 3.03610 -209.52613 1031.94687
385.0000 -221.55715 -209.03240 12.52475 3.01872 -209.88016 1031.61761
390.0000 -221.44643 -207.34778 14.09865 3.10644 -208.09263 1105.02811
395.0000 -222.23008 -209.11449 13.11559 3.10701 -208.08091 1093.39826
400.0000 -220.82122 -207.35532 13.46590 3.10621 -208.09727 1073.03663
405.0000 -218.85990 -204.50389 14.35601 3.24021 -205.36646 1158.87863
410.0000 -219.60530 -205.38057 14.22473 3.24610 -205.24633 1153.52925
415.0000 -221.95865 -207.32734 14.63131 3.14392 -207.32878 1110.47255
420.0000 -221.12374 -206.38559 14.73815 3.20803 -206.02225 1135.53723
425.0000 -218.28590 -204.66418 13.62172 3.19295 -206.32962 1123.45770
430.0000 -220.20314 -206.99440 13.20874 3.25306 -205.10442 1173.96210
435.0000 -220.03221 -205.77921 14.25301 3.24052 -205.36017 1138.56935
440.0000 -220.13887 -206.09279 14.04608 3.22990 -205.57658 1169.79816
445.0000 -217.34456 -203.54826 13.79631 3.26152 -204.93219 1168.39128
450.0000 -218.78039 -204.72116 14.05923 3.35529 -203.02106 1212.12945
455.0000 -221.60793 -205.94550 15.66243 3.21079 -205.96604 1148.31018
460.0000 -221.12366 -209.24224 11.88142 3.11391 -207.94031 1092.88289
465.0000 -222.07045 -209.32444 12.74601 3.02874 -209.67613 1039.93100
470.0000 -219.45511 -205.72365 13.73146 3.13595 -207.49107 1090.51450
475.0000 -219.08053 -206.33543 12.74510 3.19499 -206.28786 1133.66010
480.0000 -219.36861 -204.23844 15.13016 3.22773 -205.62070 1148.61928
485.0000 -215.16275 -201.02339 14.13935 3.32959 -203.54493 1226.88412
490.0000 -217.29702 -202.65242 14.64459 3.42675 -201.56481 1274.80497
495.0000 -220.33266 -206.26202 14.07064 3.25731 -205.01800 1156.18185
500.0000 -220.29000 -206.01587 14.27413 3.19176 -206.35374 1109.31313
FREEZING PROCESS: loop number 3 T-loop= 1120.0000000000000
main_MD> interactions number 3 at Temperature= 1120.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.93329 -2.48838 2.41626
force_rgl> df(natom) -4.49584 -0.08899 -1.75861
505.0000 -221.17702 -208.92251 12.25451 3.12464 -207.72162 1096.54142
510.0000 -220.93625 -206.89399 14.04227 3.15476 -207.10781 1099.63667
515.0000 -218.59184 -206.03109 12.56075 3.21880 -205.80273 1123.96334
520.0000 -217.55951 -205.17275 12.38676 3.17637 -206.66735 1131.71574
525.0000 -218.10275 -202.86271 15.24003 3.31449 -203.85264 1211.41061
530.0000 -219.58184 -205.68118 13.90066 3.25130 -205.14046 1174.59024
535.0000 -216.83863 -203.38287 13.45577 3.17524 -206.69053 1093.14630
540.0000 -220.12250 -205.49482 14.62768 3.30383 -204.06979 1222.56856
545.0000 -219.59400 -205.33770 14.25631 3.25075 -205.15159 1164.92957
550.0000 -217.30519 -204.65758 12.64762 3.26819 -204.79616 1156.54828
555.0000 -218.06685 -204.32684 13.74001 3.33382 -203.45875 1191.08594
560.0000 -221.42481 -206.91271 14.51210 3.14380 -207.33123 1118.84923
565.0000 -218.67817 -204.54791 14.13026 3.18528 -206.48588 1116.37533
570.0000 -218.91846 -207.05641 11.86205 3.24446 -205.27980 1173.78101
575.0000 -220.53112 -206.72343 13.80769 3.14799 -207.24570 1105.34165
580.0000 -222.13367 -207.56331 14.57036 3.12324 -207.75007 1099.51752
585.0000 -221.82619 -207.84766 13.97853 3.13746 -207.46037 1104.71958
590.0000 -222.72795 -207.89981 14.82814 3.08986 -208.43041 1092.30388
595.0000 -218.93764 -204.98993 13.94771 3.18168 -206.55921 1166.43840
600.0000 -220.22591 -203.31491 16.91100 3.26425 -204.87652 1199.90358
605.0000 -218.38598 -206.06693 12.31905 3.31141 -203.91533 1206.57103
610.0000 -219.25768 -204.41479 14.84289 3.23577 -205.45696 1149.52265
615.0000 -217.99757 -204.23015 13.76742 3.29213 -204.30825 1186.55723
620.0000 -220.97763 -209.26038 11.71726 3.17504 -206.69450 1110.71641
625.0000 -220.62202 -207.63660 12.98542 3.10979 -208.02420 1084.21008
630.0000 -222.24740 -209.64526 12.60214 3.08009 -208.62961 1060.20385
635.0000 -223.28194 -210.78602 12.49592 2.98560 -210.55512 1030.23395
640.0000 -223.35412 -211.80178 11.55234 2.92795 -211.73006 989.08438
645.0000 -222.87750 -209.60173 13.27577 2.98121 -210.64466 997.01328
650.0000 -220.40158 -208.93533 11.46625 3.03482 -209.55215 1032.52572
655.0000 -219.96244 -207.17689 12.78555 3.11030 -208.01389 1074.27873
660.0000 -220.24579 -207.47712 12.76866 3.16488 -206.90156 1093.92083
665.0000 -221.15445 -209.26607 11.88838 3.12265 -207.76223 1080.58758
670.0000 -221.38384 -207.64679 13.73704 3.04607 -209.32276 1047.14133
675.0000 -219.73688 -207.95846 11.77842 3.11607 -207.89622 1110.99193
680.0000 -221.85515 -206.48674 15.36840 3.19365 -206.31519 1111.07153
685.0000 -220.77975 -205.08868 15.69106 3.17251 -206.74598 1160.79790
690.0000 -219.41440 -206.59378 12.82062 3.25043 -205.15802 1179.71673
695.0000 -218.91932 -205.54045 13.37887 3.21162 -205.94903 1140.47963
700.0000 -221.47799 -208.12753 13.35046 3.19249 -206.33898 1111.44983
705.0000 -219.08482 -207.62738 11.45744 3.07930 -208.64569 1078.98440
710.0000 -217.56818 -205.19647 12.37171 3.15947 -207.01180 1106.80788
715.0000 -219.44320 -206.20274 13.24045 3.22714 -205.63271 1117.62408
720.0000 -219.93837 -205.94604 13.99233 3.25919 -204.97958 1140.61594
725.0000 -220.99840 -207.81581 13.18258 3.12338 -207.74727 1102.80911
730.0000 -222.02499 -207.21401 14.81098 3.13019 -207.60845 1070.91390
735.0000 -222.10670 -207.21952 14.88718 3.12411 -207.73248 1081.87036
740.0000 -220.11972 -208.74234 11.37738 3.12884 -207.63611 1096.70235
745.0000 -221.81158 -209.55291 12.25867 3.05134 -209.21545 1053.80017
750.0000 -223.23150 -210.55576 12.67574 3.03010 -209.64827 1022.51987
FREEZING PROCESS: loop number 4 T-loop= 1095.0000000000000
main_MD> interactions number 4 at Temperature= 1095.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72542 -3.22586 0.99653
force_rgl> df(natom) -1.61669 -1.47912 3.02942
755.0000 -223.36298 -210.20457 13.15841 2.99032 -210.45906 991.00634
760.0000 -221.43258 -209.36690 12.06568 2.97663 -210.73803 1023.99685
765.0000 -223.57294 -209.14483 14.42811 3.03013 -209.64779 1021.42750
770.0000 -220.50785 -207.69509 12.81275 3.08286 -208.57318 1071.54786
775.0000 -221.90150 -208.94083 12.96067 3.05415 -209.15822 1049.94746
780.0000 -221.26438 -208.18398 13.08040 3.08512 -208.52702 1064.14592
785.0000 -223.80088 -210.00613 13.79475 3.03535 -209.54140 1009.97347
790.0000 -220.04403 -207.31938 12.72465 3.03294 -209.59045 1038.94647
795.0000 -217.37324 -203.72322 13.65002 3.17813 -206.63161 1141.70641
800.0000 -220.48522 -205.29262 15.19260 3.31809 -203.77915 1191.08873
805.0000 -218.68263 -205.12994 13.55269 3.25334 -205.09880 1160.61434
810.0000 -219.69383 -207.84547 11.84836 3.18605 -206.47023 1128.27406
815.0000 -218.70668 -207.05278 11.65390 3.16038 -206.99330 1081.83685
820.0000 -221.21393 -208.70896 12.50497 3.11853 -207.84622 1084.20765
825.0000 -220.20295 -209.13566 11.06730 3.06742 -208.88774 1036.41098
830.0000 -221.00776 -208.36526 12.64251 3.12458 -207.72293 1085.59845
835.0000 -220.42343 -207.82674 12.59670 3.08862 -208.45564 1060.30691
840.0000 -221.08333 -209.62556 11.45776 3.03397 -209.56947 1041.92318
845.0000 -219.99415 -204.75449 15.23966 3.08966 -208.43444 1065.51667
850.0000 -221.90434 -206.69169 15.21265 3.22885 -205.59788 1169.33278
855.0000 -221.75881 -207.94112 13.81769 3.16682 -206.86210 1125.61879
860.0000 -219.27056 -207.26172 12.00883 3.12298 -207.75549 1097.19834
865.0000 -220.85510 -208.00824 12.84686 3.16978 -206.80163 1136.16368
870.0000 -221.54583 -210.24163 11.30420 3.04422 -209.36048 1020.26745
875.0000 -221.78650 -208.95383 12.83267 3.01898 -209.87490 1031.50191
880.0000 -219.50395 -208.29735 11.20661 3.09614 -208.30235 1076.09772
885.0000 -219.87651 -207.00709 12.86943 3.18843 -206.42173 1123.49566
890.0000 -219.63140 -206.20423 13.42716 3.14412 -207.32463 1081.63203
895.0000 -222.33389 -209.35147 12.98242 3.05096 -209.22310 1048.79023
900.0000 -222.17146 -210.18670 11.98476 3.05187 -209.20465 1067.02293
905.0000 -220.07923 -208.77185 11.30738 3.04964 -209.25016 1035.73800
910.0000 -221.31193 -208.87371 12.43821 3.10895 -208.04141 1091.59840
915.0000 -221.19336 -209.31849 11.87487 2.99828 -210.29675 1007.29941
920.0000 -219.45385 -204.20631 15.24754 3.25187 -205.12879 1172.95893
925.0000 -218.64880 -204.64261 14.00619 3.25287 -205.10842 1171.53503
930.0000 -220.85178 -206.22879 14.62298 3.27734 -204.60971 1184.12953
935.0000 -219.62767 -206.94507 12.68261 3.14511 -207.30443 1131.78463
940.0000 -220.82159 -206.49846 14.32313 3.17938 -206.60614 1109.63896
945.0000 -220.29954 -207.26657 13.03298 3.17928 -206.60818 1145.67049
950.0000 -219.59518 -207.55037 12.04481 3.12863 -207.64040 1058.98521
955.0000 -220.16749 -207.36736 12.80013 3.19856 -206.21521 1174.74231
960.0000 -222.30881 -208.92469 13.38412 3.11151 -207.98925 1087.61950
965.0000 -221.06445 -209.55653 11.50793 3.03421 -209.56460 1065.11745
970.0000 -220.49929 -208.20729 12.29201 3.11951 -207.82628 1085.68561
975.0000 -220.97517 -207.33350 13.64168 3.13260 -207.55946 1076.24170
980.0000 -221.95007 -209.04218 12.90790 3.09801 -208.26428 1051.97116
985.0000 -222.56012 -210.71208 11.84804 3.00232 -210.21447 1020.07519
990.0000 -223.98711 -209.79345 14.19366 3.01041 -210.04954 1013.99789
995.0000 -222.52889 -209.66421 12.86468 3.06230 -208.99204 1094.52311
1000.0000 -221.95351 -207.48108 14.47242 3.07016 -208.83194 1063.06102
FREEZING PROCESS: loop number 5 T-loop= 1070.0000000000000
main_MD> interactions number 5 at Temperature= 1070.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.79116 4.87356 -2.15357
force_rgl> df(natom) 2.74322 1.22689 4.45891
1005.0000 -222.35789 -210.60341 11.75448 3.08571 -208.51500 1085.25940
1010.0000 -224.86970 -213.74618 11.12352 2.87979 -212.71158 945.85331
1015.0000 -220.96968 -207.27968 13.69000 2.98625 -210.54196 992.66870
1020.0000 -220.25624 -208.64086 11.61539 3.09814 -208.26166 1085.93279
1025.0000 -225.30976 -212.12256 13.18720 3.03605 -209.52699 1061.37735
1030.0000 -221.75044 -209.05410 12.69634 3.07801 -208.67185 1073.12466
1035.0000 -224.77152 -211.11987 13.65165 3.05877 -209.06405 1061.59762
1040.0000 -221.47541 -209.62785 11.84755 2.99485 -210.36662 993.53455
1045.0000 -221.26479 -209.34167 11.92312 3.04986 -209.24551 1036.71898
1050.0000 -222.75258 -208.32225 14.43032 3.03325 -209.58411 1030.69982
1055.0000 -220.63736 -207.19861 13.43875 3.08696 -208.48961 1068.68786
1060.0000 -222.19738 -210.09060 12.10678 3.08283 -208.57363 1065.74172
1065.0000 -221.96757 -209.11618 12.85139 3.02645 -209.72274 1031.77819
1070.0000 -221.19669 -209.70975 11.48694 3.03252 -209.59903 1051.13356
1075.0000 -218.58738 -206.56701 12.02036 3.07821 -208.66776 1046.72136
1080.0000 -221.26095 -207.69960 13.56134 3.14016 -207.40526 1094.30651
1085.0000 -221.04546 -208.51721 12.52824 3.14560 -207.29459 1098.63737
1090.0000 -221.83770 -207.60725 14.23045 3.11278 -207.96340 1095.47596
1095.0000 -220.87123 -208.12555 12.74567 3.13810 -207.44723 1097.39867
1100.0000 -221.06666 -209.81655 11.25012 3.04047 -209.43696 1014.61037
1105.0000 -221.34150 -208.26664 13.07486 3.09012 -208.42513 1082.18245
1110.0000 -218.58596 -204.59748 13.98848 3.22534 -205.66950 1146.53986
1115.0000 -220.94233 -207.56347 13.37886 3.18608 -206.46961 1101.08377
1120.0000 -221.14786 -207.54338 13.60448 3.11433 -207.93179 1096.93227
1125.0000 -222.76854 -210.76327 12.00527 3.06953 -208.84481 1062.03222
1130.0000 -221.53183 -210.30875 11.22308 2.95551 -211.16842 1001.58870
1135.0000 -223.85006 -210.55338 13.29668 2.98634 -210.54022 1009.05187
1140.0000 -218.12570 -205.45961 12.66610 3.05523 -209.13620 1044.66811
1145.0000 -220.30672 -206.89535 13.41137 3.21120 -205.95764 1140.91002
1150.0000 -220.12627 -206.71333 13.41294 3.18719 -206.44693 1110.20421
1155.0000 -220.48089 -207.45035 13.03054 3.13472 -207.51619 1130.82931
1160.0000 -219.66765 -205.91754 13.75010 3.11152 -207.98898 1097.36756
1165.0000 -219.96387 -205.68270 14.28117 3.19574 -206.27267 1145.10489
1170.0000 -217.44880 -204.74717 12.70163 3.32327 -203.67370 1219.27470
1175.0000 -220.47064 -207.48361 12.98703 3.18037 -206.58589 1125.46870
1180.0000 -221.29070 -209.56746 11.72324 3.08329 -208.56430 1070.34695
1185.0000 -220.73499 -208.14961 12.58538 3.12178 -207.77992 1098.45912
1190.0000 -220.71539 -207.28958 13.42581 3.17805 -206.63322 1121.18827
1195.0000 -222.88093 -209.51295 13.36798 3.08956 -208.43661 1070.37617
1200.0000 -219.65536 -207.70526 11.95010 3.06827 -208.87042 1052.34991
1205.0000 -220.44032 -208.20406 12.23626 3.18543 -206.48268 1137.94341
1210.0000 -218.53100 -206.84252 11.68849 3.19408 -206.30657 1119.93581
1215.0000 -220.93743 -208.22923 12.70819 3.14274 -207.35279 1114.07308
1220.0000 -220.48350 -209.01998 11.46352 3.06493 -208.93855 1072.33058
1225.0000 -224.53584 -211.19725 13.33858 3.06194 -208.99944 1050.07547
1230.0000 -220.71744 -208.09202 12.62542 3.04326 -209.38018 1037.30773
1235.0000 -222.13509 -208.53962 13.59547 3.08977 -208.43228 1072.43699
1240.0000 -220.09434 -208.25705 11.83729 3.06497 -208.93767 1056.63634
1245.0000 -222.14700 -209.05530 13.09170 3.10627 -208.09596 1078.39080
1250.0000 -219.39364 -207.08559 12.30805 3.06129 -209.01261 1020.31886
FREEZING PROCESS: loop number 6 T-loop= 1045.0000000000000
main_MD> interactions number 6 at Temperature= 1045.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.80456 1.31377 -0.73743
force_rgl> df(natom) -0.51057 -7.05756 -2.83502
1255.0000 -220.48172 -208.94457 11.53715 3.13885 -207.43195 1082.55324
1260.0000 -220.09410 -208.27393 11.82017 3.04340 -209.37729 1019.43401
1265.0000 -219.00496 -207.18857 11.81638 3.11217 -207.97571 1097.48584
1270.0000 -219.76244 -206.81847 12.94397 3.20898 -206.00290 1116.70070
1275.0000 -222.09177 -209.85603 12.23574 3.13631 -207.48387 1087.16455
1280.0000 -221.84266 -207.93191 13.91076 3.02302 -209.79263 1040.58656
1285.0000 -221.49236 -209.52167 11.97070 3.07085 -208.81780 1042.41621
1290.0000 -221.66959 -207.46110 14.20849 3.08221 -208.58635 1069.16537
1295.0000 -219.99417 -207.20629 12.78788 3.12747 -207.66406 1096.04318
1300.0000 -222.06787 -209.67829 12.38957 3.15338 -207.13588 1104.35391
1305.0000 -220.16966 -208.87178 11.29788 3.04289 -209.38760 1053.25189
1310.0000 -221.10179 -210.13312 10.96867 3.06429 -208.95161 1045.16996
1315.0000 -221.97587 -209.15091 12.82496 3.01799 -209.89515 1028.00971
1320.0000 -222.04424 -209.18208 12.86216 3.07134 -208.80793 1086.08890
1325.0000 -222.99919 -211.16129 11.83790 2.93678 -211.55006 981.99920
1330.0000 -223.29514 -211.88437 11.41077 2.98238 -210.62089 1020.46105
1335.0000 -222.29250 -211.15305 11.13945 2.90436 -212.21091 939.90452
1340.0000 -223.18600 -209.58058 13.60542 2.98500 -210.56733 1016.08137
1345.0000 -222.84201 -210.25360 12.58841 3.02983 -209.65384 1053.18861
1350.0000 -222.22584 -210.57046 11.65538 2.96163 -211.04359 1011.73265
1355.0000 -220.22789 -209.73543 10.49246 2.99445 -210.37474 1006.25301
1360.0000 -224.84212 -212.16859 12.67354 2.90558 -212.18590 949.07941
1365.0000 -222.28236 -210.72278 11.55958 2.88080 -212.69089 945.65616
1370.0000 -222.97804 -211.95648 11.02157 2.93926 -211.49958 986.16593
1375.0000 -222.36055 -210.51542 11.84512 2.93347 -211.61763 960.17034
1380.0000 -223.74403 -210.35888 13.38515 2.99397 -210.38454 1005.44566
1385.0000 -221.81723 -209.55291 12.26431 3.00990 -210.05994 1003.00368
1390.0000 -221.46917 -209.37059 12.09858 3.12425 -207.72963 1076.22097
1395.0000 -218.42019 -206.17069 12.24950 3.06934 -208.84862 1043.52308
1400.0000 -222.31997 -210.31612 12.00384 3.08248 -208.58075 1082.66433
1405.0000 -221.50199 -206.91237 14.58962 3.07398 -208.75416 1064.37199
1410.0000 -220.99889 -208.20412 12.79477 3.10526 -208.11656 1112.28859
1415.0000 -218.61254 -206.24283 12.36970 3.19923 -206.20162 1144.12908
1420.0000 -221.17743 -209.53769 11.63974 3.12775 -207.65832 1084.26518
1425.0000 -224.36711 -211.65802 12.70909 3.03271 -209.59512 1050.52571
1430.0000 -223.47874 -211.95746 11.52129 2.97524 -210.76641 998.10492
1435.0000 -221.35845 -210.35812 11.00032 2.93094 -211.66920 965.59110
1440.0000 -221.58422 -210.45001 11.13421 3.01234 -210.01022 1014.97788
1445.0000 -221.58640 -209.53269 12.05370 3.04109 -209.42432 1052.19804
1450.0000 -220.47880 -207.57137 12.90742 3.12849 -207.64309 1103.65925
1455.0000 -221.43339 -209.73090 11.70250 3.06097 -209.01920 1063.22283
1460.0000 -219.87860 -206.49117 13.38743 3.14761 -207.25347 1107.93861
1465.0000 -219.20058 -205.53873 13.66185 3.23309 -205.51147 1168.81685
1470.0000 -220.27455 -207.66585 12.60870 3.13590 -207.49208 1099.29677
1475.0000 -219.43699 -205.77503 13.66196 3.20075 -206.17054 1114.98893
1480.0000 -221.01566 -207.56029 13.45536 3.15658 -207.07077 1122.16989
1485.0000 -222.49558 -209.62569 12.86989 3.10476 -208.12676 1090.82343
1490.0000 -221.54882 -208.36059 13.18823 3.02701 -209.71135 1011.84856
1495.0000 -222.39001 -210.47286 11.91714 3.00895 -210.07930 1021.18895
1500.0000 -219.48521 -206.85233 12.63288 3.10822 -208.05634 1061.75408
FREEZING PROCESS: loop number 7 T-loop= 1020.0000000000000
main_MD> interactions number 7 at Temperature= 1020.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.69633 2.93750 -7.66919
force_rgl> df(natom) -0.37670 5.67283 -0.68738
1505.0000 -221.19612 -208.65467 12.54145 3.12715 -207.67049 1097.76232
1510.0000 -222.80170 -210.05732 12.74438 3.06806 -208.87474 1066.30562
1515.0000 -223.27531 -211.26132 12.01399 3.00420 -210.17604 1036.78025
1520.0000 -223.31160 -210.72278 12.58882 2.97504 -210.77048 1019.62651
1525.0000 -221.55177 -210.18054 11.37123 3.01026 -210.05264 1020.90258
1530.0000 -221.48200 -209.55345 11.92854 2.97790 -210.71218 1015.17387
1535.0000 -223.76072 -211.33609 12.42463 2.99321 -210.40016 1002.18810
1540.0000 -221.24745 -208.99122 12.25623 3.02911 -209.66840 988.38082
1545.0000 -223.80390 -212.30892 11.49497 3.03781 -209.49123 1023.85784
1550.0000 -224.36530 -213.34891 11.01639 2.88485 -212.60847 927.36187
1555.0000 -222.29937 -209.89762 12.40174 2.92094 -211.87299 953.62477
1560.0000 -222.68807 -210.64807 12.04000 3.00527 -210.15435 1010.11232
1565.0000 -221.43923 -207.75553 13.68370 3.00357 -210.18904 992.13401
1570.0000 -222.09579 -208.24322 13.85257 3.08124 -208.60621 1077.78218
1575.0000 -221.65050 -211.24631 10.40419 3.02246 -209.80410 1029.31638
1580.0000 -223.17014 -210.36656 12.80358 3.00506 -210.15860 987.85039
1585.0000 -221.02061 -208.04275 12.97786 3.03554 -209.53746 1028.75781
1590.0000 -221.84896 -210.70291 11.14605 3.02552 -209.74174 1033.77076
1595.0000 -220.49368 -208.78858 11.70510 3.03130 -209.62383 1017.06645
1600.0000 -222.10962 -209.77448 12.33514 3.02368 -209.77912 1025.63341
1605.0000 -221.85660 -209.80438 12.05222 2.96488 -210.97754 969.18370
1610.0000 -222.38946 -208.89022 13.49924 3.05314 -209.17876 1052.02456
1615.0000 -222.69326 -209.48570 13.20756 3.04689 -209.30604 1047.48536
1620.0000 -223.01864 -209.60108 13.41756 3.09942 -208.23560 1075.82166
1625.0000 -223.62482 -211.09683 12.52799 2.95962 -211.08464 980.68108
1630.0000 -221.99173 -208.97352 13.01821 3.04196 -209.40666 1050.71611
1635.0000 -222.66494 -211.25640 11.40853 2.98821 -210.50192 1012.77476
1640.0000 -224.29517 -211.29260 13.00257 2.95140 -211.25218 990.53463
1645.0000 -221.76095 -208.71282 13.04813 3.03116 -209.62679 1041.38764
1650.0000 -223.38434 -211.34930 12.03504 3.01011 -210.05567 1037.33441
1655.0000 -219.37948 -207.62545 11.75402 2.97110 -210.85074 998.17592
1660.0000 -220.00087 -209.47229 10.52857 3.04393 -209.36639 1018.79712
1665.0000 -224.07795 -210.01135 14.06661 3.01169 -210.02347 1034.16221
1670.0000 -221.90023 -210.33531 11.56492 3.00193 -210.22235 1023.33475
1675.0000 -222.20486 -209.77216 12.43270 2.95993 -211.07829 989.90830
1680.0000 -221.90047 -209.96194 11.93852 3.03673 -209.51329 1043.22022
1685.0000 -222.23431 -210.47832 11.75599 2.95483 -211.18220 980.14707
1690.0000 -224.61921 -211.38095 13.23825 2.98279 -210.61249 991.09433
1695.0000 -223.53072 -210.72441 12.80631 2.91056 -212.08448 968.83032
1700.0000 -222.46382 -210.01046 12.45336 3.01873 -209.88006 1019.09180
1705.0000 -221.53575 -209.03783 12.49792 3.02933 -209.66400 1045.79643
1710.0000 -223.45087 -211.19709 12.25378 2.98958 -210.47400 1007.42912
1715.0000 -224.45403 -212.53453 11.91950 2.94544 -211.37355 1007.44905
1720.0000 -222.08035 -208.33962 13.74073 3.01980 -209.85828 1044.94022
1725.0000 -223.21191 -210.81124 12.40067 2.99667 -210.32959 987.15943
1730.0000 -222.39195 -210.85093 11.54103 3.01006 -210.05670 998.29125
1735.0000 -223.57605 -213.83005 9.74600 2.87549 -212.79916 952.75537
1740.0000 -223.16692 -212.61468 10.55224 2.85723 -213.17124 948.04486
1745.0000 -224.21859 -212.51255 11.70604 2.86124 -213.08955 951.23627
1750.0000 -221.09379 -208.95796 12.13583 2.93873 -211.51047 1008.50797
FREEZING PROCESS: loop number 8 T-loop= 995.00000000000000
main_MD> interactions number 8 at Temperature= 995.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.28680 -4.93479 -5.61872
force_rgl> df(natom) -4.01506 -3.04139 -0.09919
1755.0000 -222.16179 -209.03943 13.12236 3.02824 -209.68625 1052.48949
1760.0000 -222.26488 -208.90797 13.35691 3.08142 -208.60252 1066.60636
1765.0000 -223.10850 -209.30500 13.80350 3.07859 -208.66008 1064.03382
1770.0000 -221.15445 -208.86481 12.28964 3.03285 -209.59226 1039.29094
1775.0000 -224.07501 -211.80463 12.27038 2.97715 -210.72750 990.89188
1780.0000 -223.45062 -212.44368 11.00695 2.92520 -211.78609 962.74258
1785.0000 -223.24937 -210.48918 12.76019 2.92150 -211.86159 976.13798
1790.0000 -222.36863 -208.53558 13.83304 3.06188 -209.00056 1042.89314
1795.0000 -223.12178 -209.46479 13.65699 3.06100 -209.01864 1030.79193
1800.0000 -222.62784 -210.27574 12.35210 3.04044 -209.43767 1044.96402
1805.0000 -222.88292 -211.22492 11.65800 2.99563 -210.35070 1004.83842
1810.0000 -221.58220 -209.93160 11.65060 3.05149 -209.21238 1003.67662
1815.0000 -220.41384 -210.79932 9.61452 2.99772 -210.30827 989.71153
1820.0000 -223.65732 -212.18671 11.47061 2.94628 -211.35660 959.16080
1825.0000 -225.49964 -213.29897 12.20068 2.87425 -212.82445 930.64240
1830.0000 -223.57151 -212.61452 10.95699 2.86434 -213.02644 936.28278
1835.0000 -222.26889 -209.87514 12.39375 2.97040 -210.86488 1011.90970
1840.0000 -223.87980 -212.92957 10.95023 2.98309 -210.60630 1004.25783
1845.0000 -222.29331 -211.52372 10.76959 2.88735 -212.55742 941.33317
1850.0000 -224.14123 -211.79584 12.34539 2.93710 -211.54354 977.30856
1855.0000 -222.55705 -210.96218 11.59487 2.96400 -210.99529 1007.80078
1860.0000 -222.58799 -210.70245 11.88554 2.92824 -211.72406 975.54778
1865.0000 -223.26760 -212.62114 10.64646 2.95904 -211.09645 963.55227
1870.0000 -222.07647 -211.31474 10.76173 2.91657 -211.96194 952.98323
1875.0000 -223.73797 -211.60485 12.13311 2.99594 -210.34448 1003.43578
1880.0000 -222.96959 -212.28693 10.68266 2.96008 -211.07524 980.31324
1885.0000 -223.12963 -212.73824 10.39139 2.90801 -212.13636 919.62258
1890.0000 -222.10095 -209.95083 12.15013 2.90722 -212.15260 933.15090
1895.0000 -222.00418 -210.08907 11.91511 3.02038 -209.84641 1017.16093
1900.0000 -223.77802 -210.47494 13.30308 2.98989 -210.46774 1013.24748
1905.0000 -222.61209 -210.35008 12.26201 2.93644 -211.55704 982.89699
1910.0000 -222.20318 -211.45885 10.74433 2.93285 -211.63013 961.61227
1915.0000 -223.92751 -210.79129 13.13622 2.94355 -211.41220 994.14633
1920.0000 -225.49622 -212.63403 12.86219 2.90564 -212.18476 967.51332
1925.0000 -221.84209 -210.10063 11.74147 2.96548 -210.96516 1011.17740
1930.0000 -222.30548 -209.78552 12.51996 2.96642 -210.94598 1001.14972
1935.0000 -222.57197 -211.70644 10.86552 2.96993 -210.87455 983.31874
1940.0000 -223.30769 -209.42099 13.88670 2.93454 -211.59579 993.90589
1945.0000 -220.37960 -208.33483 12.04478 3.05330 -209.17544 1052.52932
1950.0000 -221.17604 -209.59517 11.58088 3.04472 -209.35032 1037.73812
1955.0000 -224.61356 -213.22236 11.39120 2.97183 -210.83573 974.17391
1960.0000 -224.91773 -214.88260 10.03514 2.79959 -214.34597 902.73273
1965.0000 -223.51188 -213.27328 10.23859 2.86448 -213.02357 901.81041
1970.0000 -221.49050 -209.97505 11.51545 2.88950 -212.51369 908.86159
1975.0000 -221.35029 -208.58062 12.76968 3.01367 -209.98306 1014.85550
1980.0000 -222.50542 -209.69364 12.81177 3.09922 -208.23960 1077.51347
1985.0000 -220.82989 -207.57780 13.25209 3.10314 -208.15981 1083.57415
1990.0000 -221.99964 -210.56417 11.43546 3.03343 -209.58051 1039.90166
1995.0000 -222.02806 -209.68986 12.33821 3.00655 -210.12830 1015.03938
2000.0000 -219.99124 -210.27724 9.71401 3.05350 -209.17149 993.89219
FREEZING PROCESS: loop number 9 T-loop= 970.00000000000000
main_MD> interactions number 9 at Temperature= 970.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73976 -0.62465 -1.66114
force_rgl> df(natom) -0.66252 -0.18106 0.06490
2005.0000 -222.78953 -209.72363 13.06590 3.00900 -210.07823 1006.92761
2010.0000 -221.78534 -210.54106 11.24428 2.98473 -210.57298 1026.87297
2015.0000 -221.68994 -211.13671 10.55323 2.99787 -210.30510 1005.19932
2020.0000 -224.50154 -213.42620 11.07535 2.89175 -212.46782 945.22795
2025.0000 -225.36508 -213.43148 11.93360 2.84120 -213.49790 925.02632
2030.0000 -224.15951 -212.54256 11.61696 2.85101 -213.29809 929.10544
2035.0000 -221.99202 -210.07668 11.91534 2.94011 -211.48222 978.37471
2040.0000 -221.21480 -208.55737 12.65743 3.00417 -210.17682 1025.85387
2045.0000 -220.89563 -208.82451 12.07112 3.03597 -209.52861 1018.21698
2050.0000 -224.08958 -212.43256 11.65702 2.99298 -210.40479 993.36788
2055.0000 -223.42984 -212.51489 10.91495 2.84787 -213.36202 938.32512
2060.0000 -224.43731 -210.93695 13.50035 2.87664 -212.77573 942.93918
2065.0000 -221.09798 -208.07723 13.02075 3.01286 -209.99970 1018.62028
2070.0000 -220.19822 -208.25523 11.94299 3.10710 -208.07910 1068.08699
2075.0000 -221.20434 -208.62144 12.58290 3.08133 -208.60427 1049.28812
2080.0000 -223.00894 -209.16891 13.84003 3.03230 -209.60351 999.40144
2085.0000 -222.42376 -211.64272 10.78104 3.02335 -209.78597 1027.41971
2090.0000 -223.07351 -210.06792 13.00560 2.95314 -211.21666 994.09813
2095.0000 -222.89633 -209.16036 13.73597 2.96674 -210.93956 985.91406
2100.0000 -223.23094 -212.68014 10.55080 2.94151 -211.45367 972.60811
2105.0000 -223.93061 -211.45856 12.47205 2.89947 -212.31054 958.01720
2110.0000 -221.84211 -209.51226 12.32985 2.96880 -210.89764 1017.08396
2115.0000 -221.34879 -208.54258 12.80621 3.07984 -208.63459 1068.90031
2120.0000 -222.62809 -207.16296 15.46513 3.07759 -208.68042 1072.21648
2125.0000 -221.24928 -208.10897 13.14031 3.06858 -208.86419 1059.10009
2130.0000 -221.92061 -210.83339 11.08722 3.02073 -209.83922 1048.37980
2135.0000 -224.06907 -211.26174 12.80734 2.96249 -211.02626 987.97811
2140.0000 -221.69392 -208.89110 12.80282 2.93259 -211.63554 978.77932
2145.0000 -220.85309 -208.49774 12.35534 3.04607 -209.32295 1028.54458
2150.0000 -223.69244 -212.51316 11.17927 3.01261 -210.00481 1004.87009
2155.0000 -222.71088 -212.42384 10.28704 2.91996 -211.89294 994.32477
2160.0000 -224.17662 -212.27120 11.90542 2.89627 -212.37574 946.10580
2165.0000 -222.90786 -211.63350 11.27436 2.94127 -211.45857 973.43794
2170.0000 -220.21998 -208.11003 12.10995 3.06372 -208.96323 1057.33607
2175.0000 -221.78559 -209.78632 11.99927 3.06991 -208.83692 1070.04311
2180.0000 -224.41723 -213.20461 11.21261 2.89754 -212.34975 940.56146
2185.0000 -224.74156 -213.33163 11.40993 2.84417 -213.43754 933.75405
2190.0000 -224.18664 -213.06975 11.11689 2.83464 -213.63175 940.45831
2195.0000 -221.95336 -213.20226 8.75109 2.84820 -213.35541 901.14888
2200.0000 -224.36084 -213.05215 11.30869 2.86413 -213.03073 926.70192
2205.0000 -223.17684 -210.75299 12.42385 2.87959 -212.71565 916.87249
2210.0000 -221.60550 -209.12133 12.48417 3.02480 -209.75630 1030.74758
2215.0000 -223.32155 -214.12233 9.19922 2.94220 -211.43972 978.27277
2220.0000 -224.33152 -213.97454 10.35697 2.78137 -214.71725 885.44819
2225.0000 -223.81798 -211.86741 11.95056 2.91844 -211.92391 957.05731
2230.0000 -223.83972 -211.44747 12.39225 2.96695 -210.93523 971.55252
2235.0000 -222.39004 -211.34649 11.04355 2.92676 -211.75424 981.94383
2240.0000 -220.95463 -209.55902 11.39562 2.92380 -211.81468 957.39140
2245.0000 -220.77362 -208.59172 12.18190 3.03219 -209.60570 1000.77805
2250.0000 -221.54305 -210.39579 11.14726 3.06429 -208.95164 1048.49985
FREEZING PROCESS: loop number 10 T-loop= 945.00000000000000
main_MD> interactions number 10 at Temperature= 945.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.64366 6.55912 -0.73713
force_rgl> df(natom) -2.56187 -1.68984 -2.38287
2255.0000 -222.13833 -210.73419 11.40415 3.01052 -210.04738 1012.60240
2260.0000 -221.61689 -210.43092 11.18598 2.96148 -211.04676 953.49103
2265.0000 -221.76465 -210.20564 11.55902 2.97066 -210.85958 987.80144
2270.0000 -225.29618 -213.59020 11.70598 2.90209 -212.25699 944.29791
2275.0000 -224.13309 -213.51215 10.62093 2.89308 -212.44076 979.69931
2280.0000 -225.23442 -214.54665 10.68777 2.83950 -213.53266 924.74344
2285.0000 -224.78719 -214.16125 10.62594 2.79045 -214.53226 883.48875
2290.0000 -223.52959 -210.67707 12.85252 2.86847 -212.94230 928.25474
2295.0000 -222.64087 -210.22707 12.41380 3.02862 -209.67851 996.62794
2300.0000 -224.66962 -212.30051 12.36912 2.94425 -211.39785 968.34348
2305.0000 -223.03029 -211.55285 11.47744 2.94207 -211.44238 972.68387
2310.0000 -222.42718 -210.98693 11.44025 2.96008 -211.07528 967.04769
2315.0000 -223.45744 -210.98577 12.47167 2.99458 -210.37214 1013.91726
2320.0000 -223.80041 -211.69697 12.10344 2.94768 -211.32788 1012.31272
2325.0000 -224.53795 -213.84524 10.69271 2.88844 -212.53532 951.11905
2330.0000 -225.55549 -214.51337 11.04213 2.82442 -213.83989 906.88226
2335.0000 -222.27209 -212.21820 10.05389 2.82972 -213.73187 912.83608
2340.0000 -222.37850 -212.03703 10.34147 2.89224 -212.45775 942.15810
2345.0000 -227.04513 -215.01865 12.02648 2.85140 -213.29013 909.22754
2350.0000 -224.52986 -213.88027 10.64959 2.76971 -214.95483 894.31115
2355.0000 -222.30052 -210.58450 11.71603 2.94816 -211.31817 959.51032
2360.0000 -223.18721 -212.22983 10.95738 2.93465 -211.59353 950.42052
2365.0000 -223.69674 -212.39257 11.30417 2.96315 -211.01279 1005.05512
2370.0000 -224.46532 -214.60293 9.86239 2.81886 -213.95324 889.11393
2375.0000 -224.56672 -213.69128 10.87544 2.84003 -213.52184 907.08947
2380.0000 -224.96753 -213.95393 11.01361 2.82346 -213.85946 910.61278
2385.0000 -221.51663 -209.87122 11.64541 2.91482 -211.99770 979.31802
2390.0000 -223.60681 -211.55573 12.05108 2.95952 -211.08660 987.29741
2395.0000 -223.13592 -213.99558 9.14035 2.88691 -212.56653 952.59775
2400.0000 -223.31766 -214.64558 8.67208 2.78497 -214.64397 862.84818
2405.0000 -225.01498 -214.46442 10.55057 2.80588 -214.21786 891.48513
2410.0000 -223.58420 -212.51738 11.06682 2.92952 -211.69804 969.70073
2415.0000 -224.39235 -212.39698 11.99537 2.88438 -212.61806 948.76408
2420.0000 -223.66026 -211.48267 12.17759 2.92609 -211.76798 969.05702
2425.0000 -223.74507 -212.01270 11.73236 2.94957 -211.28940 973.11358
2430.0000 -222.62619 -211.45091 11.17528 2.93030 -211.68227 972.13775
2435.0000 -221.90532 -209.89592 12.00940 2.92291 -211.83268 979.62887
2440.0000 -224.08354 -210.94923 13.13431 2.97790 -210.71215 1001.39648
2445.0000 -222.04006 -209.77621 12.26385 3.03826 -209.48205 1026.67243
2450.0000 -223.22269 -210.15746 13.06524 2.99346 -210.39492 989.59024
2455.0000 -223.80238 -211.99188 11.81050 2.95110 -211.25830 955.37325
2460.0000 -222.90413 -211.63811 11.26602 2.88413 -212.62307 945.65278
2465.0000 -223.54872 -213.62425 9.92447 2.87117 -212.88712 956.04971
2470.0000 -222.50751 -212.54475 9.96277 2.88125 -212.68177 943.99871
2475.0000 -223.33608 -213.28198 10.05409 2.88110 -212.68490 970.75860
2480.0000 -224.44318 -212.28780 12.15539 2.89811 -212.33816 938.36349
2485.0000 -224.15908 -212.83870 11.32038 2.91243 -212.04642 947.71169
2490.0000 -223.57228 -212.95961 10.61267 2.88420 -212.62168 944.59741
2495.0000 -224.14034 -213.01735 11.12299 2.88539 -212.59743 943.17865
2500.0000 -225.38267 -212.34037 13.04230 2.88790 -212.54625 952.70869
FREEZING PROCESS: loop number 11 T-loop= 920.00000000000000
main_MD> interactions number 11 at Temperature= 920.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49990 -1.87953 1.13356
force_rgl> df(natom) 3.25789 -4.54223 0.67251
2505.0000 -224.01324 -212.94274 11.07049 2.91175 -212.06027 991.76908
2510.0000 -221.76651 -210.31053 11.45598 2.93795 -211.52623 945.01696
2515.0000 -223.04625 -210.05584 12.99041 3.00169 -210.22724 996.87684
2520.0000 -221.84271 -211.10879 10.73392 3.06982 -208.83879 1044.75068
2525.0000 -223.65671 -213.17637 10.48035 2.86691 -212.97407 928.92132
2530.0000 -223.77352 -213.39499 10.37853 2.91226 -212.04987 945.67926
2535.0000 -222.20685 -211.95212 10.25473 2.90921 -212.11196 941.96380
2540.0000 -225.94855 -214.70435 11.24420 2.89855 -212.32914 952.69882
2545.0000 -223.04610 -212.09736 10.94875 2.82183 -213.89283 931.80082
2550.0000 -224.57488 -213.24987 11.32501 2.91563 -211.98117 930.88120
2555.0000 -223.82105 -213.26431 10.55674 2.80877 -214.15899 859.97398
2560.0000 -224.37258 -211.61145 12.76113 2.92701 -211.74916 952.45725
2565.0000 -223.97959 -213.15964 10.81995 2.89322 -212.43783 926.56464
2570.0000 -223.50563 -213.76357 9.74206 2.86938 -212.92370 908.80160
2575.0000 -223.56743 -211.84300 11.72443 2.89397 -212.42262 924.73450
2580.0000 -222.86970 -211.60429 11.26541 2.90052 -212.28912 947.08065
2585.0000 -224.19068 -212.55196 11.63873 2.88729 -212.55873 945.63715
2590.0000 -223.46855 -210.90283 12.56572 2.85613 -213.19366 957.49453
2595.0000 -224.43940 -212.12798 12.31142 2.87877 -212.73241 975.48052
2600.0000 -224.58731 -215.25873 9.32858 2.89127 -212.47760 949.03184
2605.0000 -222.63543 -212.09994 10.53550 2.86489 -213.01529 929.70360
2610.0000 -222.38977 -210.99873 11.39103 2.89907 -212.31872 951.64551
2615.0000 -224.87600 -213.26760 11.60840 2.94614 -211.35940 986.87154
2620.0000 -224.83550 -214.78169 10.05380 2.79505 -214.43856 890.07855
2625.0000 -224.62085 -213.21300 11.40785 2.77136 -214.92129 870.46705
2630.0000 -224.93403 -216.04125 8.89278 2.79718 -214.39499 878.00525
2635.0000 -226.74012 -215.36186 11.37826 2.76002 -215.15242 867.45759
2640.0000 -224.41603 -212.61375 11.80228 2.80331 -214.27019 899.76976
2645.0000 -223.13880 -211.28831 11.85049 2.88415 -212.62275 945.49380
2650.0000 -223.76077 -212.68603 11.07474 2.86625 -212.98740 908.62948
2655.0000 -221.95763 -210.67692 11.28070 2.93785 -211.52832 971.12919
2660.0000 -222.77311 -210.27525 12.49785 2.91280 -212.03877 965.88386
2665.0000 -223.76733 -212.16079 11.60653 2.92828 -211.72338 996.99166
2670.0000 -226.12356 -215.87527 10.24829 2.83118 -213.70212 919.08837
2675.0000 -225.30182 -215.43900 9.86282 2.76046 -215.14339 875.31010
2680.0000 -226.50346 -216.56644 9.93702 2.75380 -215.27905 889.93734
2685.0000 -222.23047 -211.98742 10.24305 2.79791 -214.38013 890.86707
2690.0000 -224.02122 -213.00391 11.01731 2.93505 -211.58537 969.83875
2695.0000 -223.39828 -213.87673 9.52155 2.88080 -212.69092 942.04671
2700.0000 -225.10629 -215.93943 9.16686 2.76427 -215.06586 831.99117
2705.0000 -224.79772 -214.42491 10.37281 2.77689 -214.80865 881.20303
2710.0000 -224.04009 -212.14084 11.89925 2.83574 -213.60934 895.56366
2715.0000 -222.50362 -213.45337 9.05026 2.91409 -212.01262 964.32450
2720.0000 -225.27326 -213.90414 11.36912 2.85523 -213.21213 939.99918
2725.0000 -224.04643 -211.09392 12.95251 2.85404 -213.23628 961.39678
2730.0000 -224.96848 -214.07119 10.89730 2.88067 -212.69351 956.32572
2735.0000 -224.73486 -212.10232 12.63254 2.87184 -212.87346 937.48620
2740.0000 -223.64788 -212.76270 10.88518 2.89456 -212.41063 959.54157
2745.0000 -225.05313 -213.34407 11.70906 2.90629 -212.17152 965.38219
2750.0000 -225.14942 -212.74421 12.40521 2.86702 -212.97179 951.66284
FREEZING PROCESS: loop number 12 T-loop= 895.00000000000000
main_MD> interactions number 12 at Temperature= 895.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.43811 1.39849 -1.32770
force_rgl> df(natom) 0.90433 0.18623 -2.67690
2755.0000 -226.00612 -214.71755 11.28857 2.81424 -214.04742 898.87691
2760.0000 -223.20544 -211.44777 11.75767 2.84690 -213.38188 908.98014
2765.0000 -224.00205 -213.07612 10.92594 2.87052 -212.90044 928.22897
2770.0000 -225.62047 -212.62770 12.99277 2.89621 -212.37697 963.87261
2775.0000 -225.27437 -213.85336 11.42101 2.84524 -213.41569 923.00974
2780.0000 -223.31523 -213.50386 9.81137 2.86980 -212.91507 919.09517
2785.0000 -224.68325 -213.30558 11.37767 2.78499 -214.64361 858.10092
2790.0000 -226.08397 -214.80419 11.27978 2.79304 -214.47950 881.74797
2795.0000 -225.61557 -214.99463 10.62094 2.76665 -215.01729 862.53895
2800.0000 -224.71661 -214.03279 10.68381 2.79761 -214.38623 886.39444
2805.0000 -226.01683 -216.60862 9.40820 2.73285 -215.70605 870.92106
2810.0000 -226.54053 -215.68366 10.85687 2.73211 -215.72127 856.70752
2815.0000 -224.70062 -212.98308 11.71753 2.80510 -214.23358 904.08948
2820.0000 -224.49619 -212.66688 11.82931 2.88532 -212.59888 942.15860
2825.0000 -225.04428 -214.02093 11.02335 2.81157 -214.10177 916.13526
2830.0000 -224.85688 -213.62972 11.22715 2.80692 -214.19653 897.37190
2835.0000 -225.73245 -213.51914 12.21331 2.81959 -213.93831 878.59059
2840.0000 -223.48519 -212.62604 10.85916 2.84719 -213.37581 885.76339
2845.0000 -223.26430 -212.89090 10.37341 2.87407 -212.82810 928.91895
2850.0000 -224.24124 -212.43518 11.80606 2.89136 -212.47565 965.76646
2855.0000 -223.96199 -214.29110 9.67089 2.84457 -213.42929 917.71468
2860.0000 -224.20838 -212.81186 11.39652 2.83477 -213.62899 913.22539
2865.0000 -223.25660 -213.03544 10.22116 2.85819 -213.15169 926.19108
2870.0000 -221.87894 -212.41977 9.45917 2.84977 -213.32326 938.55207
2875.0000 -223.62081 -212.68716 10.93364 2.86440 -213.02520 942.66914
2880.0000 -222.76019 -213.45366 9.30653 2.86313 -213.05099 932.88516
2885.0000 -224.34181 -216.11676 8.22505 2.77086 -214.93143 881.04023
2890.0000 -225.43334 -213.85558 11.57776 2.75254 -215.30472 861.00426
2895.0000 -223.44644 -213.56456 9.88188 2.83577 -213.60857 931.50140
2900.0000 -224.24265 -213.55998 10.68267 2.85169 -213.28419 939.82342
2905.0000 -223.68407 -212.48027 11.20380 2.86049 -213.10484 904.08044
2910.0000 -224.55285 -213.77325 10.77960 2.84554 -213.40948 920.64788
2915.0000 -224.83961 -214.56263 10.27698 2.80625 -214.21031 903.61194
2920.0000 -224.20151 -212.74908 11.45243 2.81073 -214.11893 919.45871
2925.0000 -223.31569 -213.30142 10.01428 2.86705 -212.97118 913.77271
2930.0000 -225.12768 -215.00938 10.11831 2.81842 -213.96227 898.57628
2935.0000 -227.52956 -216.03614 11.49341 2.71003 -216.17123 829.08859
2940.0000 -226.48675 -215.92971 10.55704 2.70612 -216.25091 855.06014
2945.0000 -226.17315 -215.17925 10.99390 2.71989 -215.97029 832.51826
2950.0000 -225.08201 -215.65884 9.42317 2.79026 -214.53613 878.93814
2955.0000 -225.69984 -214.69167 11.00817 2.74053 -215.54958 846.79311
2960.0000 -225.94137 -215.22848 10.71289 2.75713 -215.21127 867.53835
2965.0000 -226.33348 -214.36773 11.96575 2.77269 -214.89428 909.25236
2970.0000 -222.93164 -213.21688 9.71476 2.83725 -213.57857 939.08970
2975.0000 -224.93862 -214.36959 10.56903 2.87975 -212.71240 934.10336
2980.0000 -226.18251 -214.27175 11.91076 2.84264 -213.46857 923.34813
2985.0000 -225.09546 -214.96599 10.12947 2.77803 -214.78530 893.40891
2990.0000 -224.25806 -214.14002 10.11804 2.78436 -214.65628 866.43981
2995.0000 -225.39102 -216.69115 8.69987 2.74175 -215.52481 872.26704
3000.0000 -225.35418 -216.09664 9.25754 2.71063 -216.15902 846.91722
FREEZING PROCESS: loop number 13 T-loop= 870.00000000000000
main_MD> interactions number 13 at Temperature= 870.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15613 -1.95338 0.41887
force_rgl> df(natom) -2.25992 1.89552 -0.11615
3005.0000 -226.69176 -216.51185 10.17991 2.71330 -216.10447 817.95293
3010.0000 -225.47932 -215.20999 10.26932 2.71501 -216.06973 842.09728
3015.0000 -224.60715 -213.28604 11.32111 2.77159 -214.91653 885.72721
3020.0000 -225.85001 -215.65445 10.19556 2.79237 -214.49319 877.65339
3025.0000 -224.95338 -214.83543 10.11795 2.74295 -215.50028 840.09852
3030.0000 -225.67960 -214.90444 10.77515 2.77824 -214.78116 878.61801
3035.0000 -224.37259 -214.98049 9.39210 2.78332 -214.67747 888.97591
3040.0000 -224.26262 -213.58901 10.67361 2.87385 -212.83263 943.03539
3045.0000 -224.72702 -212.28141 12.44561 2.81173 -214.09857 850.12092
3050.0000 -224.76717 -213.23155 11.53561 2.83295 -213.66605 900.38902
3055.0000 -226.52819 -214.39241 12.13578 2.83024 -213.72143 911.00045
3060.0000 -225.65879 -214.54940 11.10939 2.81366 -214.05931 894.07277
3065.0000 -225.61802 -215.89825 9.71976 2.75367 -215.28187 862.27191
3070.0000 -223.89208 -215.36784 8.52423 2.72123 -215.94285 836.05076
3075.0000 -226.03026 -215.89006 10.14019 2.77596 -214.82748 862.60265
3080.0000 -225.73176 -215.44889 10.28287 2.71869 -215.99476 849.60348
3085.0000 -225.69555 -215.74345 9.95210 2.73626 -215.63658 856.59894
3090.0000 -224.80188 -215.12836 9.67352 2.70593 -216.25475 816.21938
3095.0000 -226.91538 -216.17589 10.73948 2.74203 -215.51908 864.91243
3100.0000 -224.85113 -214.78854 10.06260 2.80851 -214.16415 914.60070
3105.0000 -224.98684 -213.19038 11.79646 2.78309 -214.68224 893.08241
3110.0000 -226.18145 -213.55489 12.62656 2.83146 -213.69640 926.42246
3115.0000 -224.17077 -213.60019 10.57058 2.88231 -212.66027 928.30516
3120.0000 -225.42863 -212.75611 12.67252 2.83480 -213.62850 879.44879
3125.0000 -223.92598 -213.41168 10.51429 2.85443 -213.22838 918.01517
3130.0000 -224.70837 -213.37076 11.33761 2.80572 -214.22100 877.68091
3135.0000 -224.97894 -214.29310 10.68584 2.81930 -213.94437 916.41099
3140.0000 -225.03430 -213.99204 11.04226 2.81659 -213.99947 884.93171
3145.0000 -226.29032 -216.60615 9.68417 2.75125 -215.33111 856.33099
3150.0000 -226.46295 -216.43692 10.02602 2.67079 -216.97088 832.94308
3155.0000 -225.90959 -215.87899 10.03060 2.73981 -215.56419 858.49266
3160.0000 -225.67249 -216.66628 9.00621 2.75597 -215.23497 888.42787
3165.0000 -224.40293 -213.87299 10.52993 2.71574 -216.05473 831.70252
3170.0000 -225.22029 -213.99903 11.22126 2.79669 -214.40505 880.23453
3175.0000 -226.17748 -218.27655 7.90092 2.70120 -216.35106 844.68833
3180.0000 -226.59819 -215.31489 11.28330 2.69859 -216.40431 832.65316
3185.0000 -226.26714 -216.31159 9.95554 2.70064 -216.36259 839.69621
3190.0000 -225.47669 -215.05702 10.41967 2.73523 -215.65749 881.81135
3195.0000 -225.93087 -214.99901 10.93186 2.80683 -214.19835 911.05661
3200.0000 -225.87023 -215.12680 10.74342 2.77190 -214.91033 876.37582
3205.0000 -225.43527 -214.91078 10.52449 2.75314 -215.29265 850.05008
3210.0000 -225.31246 -214.04038 11.27208 2.82691 -213.78913 926.43452
3215.0000 -226.51994 -215.70405 10.81589 2.79964 -214.34497 906.69314
3220.0000 -224.56036 -214.83524 9.72512 2.75453 -215.26430 850.66447
3225.0000 -223.52269 -213.20813 10.31456 2.83263 -213.67256 930.89997
3230.0000 -224.11142 -213.61867 10.49275 2.82037 -213.92247 866.66259
3235.0000 -224.70574 -213.92033 10.78541 2.87008 -212.90935 929.21517
3240.0000 -223.02706 -212.82468 10.20238 2.83987 -213.52509 921.12786
3245.0000 -224.48394 -213.33038 11.15356 2.80702 -214.19457 898.66251
3250.0000 -224.10346 -212.93700 11.16645 2.84311 -213.45905 917.29044
FREEZING PROCESS: loop number 14 T-loop= 845.00000000000000
main_MD> interactions number 14 at Temperature= 845.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57003 2.38001 -2.06421
force_rgl> df(natom) 4.33050 -3.93700 -2.13382
3255.0000 -225.31322 -213.24538 12.06784 2.88203 -212.66580 943.77786
3260.0000 -224.60606 -213.94194 10.66412 2.86321 -213.04938 931.67616
3265.0000 -226.23327 -215.85079 10.38248 2.77358 -214.87595 880.84413
3270.0000 -227.05245 -215.89723 11.15522 2.71478 -216.07442 838.18295
3275.0000 -224.76531 -214.18598 10.57933 2.76388 -215.07366 855.75006
3280.0000 -222.57895 -212.61372 9.96523 2.82837 -213.75952 911.05781
3285.0000 -224.58060 -214.98065 9.59995 2.83192 -213.68705 920.41953
3290.0000 -225.69809 -214.27931 11.41878 2.84323 -213.45660 907.59752
3295.0000 -224.77357 -215.16699 9.60658 2.77778 -214.79036 888.85941
3300.0000 -224.65490 -215.42394 9.23096 2.74224 -215.51469 859.77044
3305.0000 -226.61274 -216.42336 10.18938 2.79122 -214.51652 879.18245
3310.0000 -227.11377 -217.67743 9.43635 2.66497 -217.08937 816.78893
3315.0000 -224.08160 -213.18342 10.89818 2.80727 -214.18940 879.36841
3320.0000 -223.70183 -213.19745 10.50437 2.85673 -213.18152 888.83471
3325.0000 -223.86673 -214.23175 9.63498 2.79618 -214.41536 887.27563
3330.0000 -226.61938 -214.78879 11.83059 2.77521 -214.84282 863.74282
3335.0000 -226.14082 -215.33345 10.80737 2.72826 -215.79973 845.52655
3340.0000 -225.16555 -216.35603 8.80953 2.73727 -215.61599 842.04817
3345.0000 -227.85272 -217.80240 10.05032 2.64979 -217.39878 801.29739
3350.0000 -224.99027 -214.76572 10.22456 2.70357 -216.30274 835.68270
3355.0000 -225.98969 -217.03778 8.95191 2.78333 -214.67736 856.99766
3360.0000 -225.21601 -214.56519 10.65082 2.69552 -216.46688 818.59049
3365.0000 -225.79775 -215.45686 10.34090 2.76907 -214.96805 871.37666
3370.0000 -227.33776 -217.84524 9.49252 2.62005 -218.00480 775.67047
3375.0000 -226.74292 -216.45743 10.28548 2.71471 -216.07583 859.30050
3380.0000 -226.09802 -217.39480 8.70322 2.71015 -216.16876 848.81615
3385.0000 -227.01813 -218.37636 8.64177 2.63823 -217.63442 816.03364
3390.0000 -224.67812 -214.84409 9.83403 2.69913 -216.39339 838.16132
3395.0000 -226.26655 -216.44674 9.81981 2.73576 -215.64675 828.18188
3400.0000 -224.42873 -214.42367 10.00507 2.74488 -215.46101 848.97152
3405.0000 -224.52593 -213.29868 11.22726 2.78633 -214.61620 857.76790
3410.0000 -226.67260 -215.48184 11.19075 2.84629 -213.39417 875.89562
3415.0000 -226.05854 -216.40632 9.65222 2.73758 -215.60977 857.79621
3420.0000 -225.01623 -213.86850 11.14773 2.76318 -215.08798 867.52875
3425.0000 -225.66052 -215.48233 10.17818 2.76396 -215.07214 892.15038
3430.0000 -226.75322 -215.52492 11.22830 2.76760 -214.99783 865.83221
3435.0000 -224.20241 -213.45856 10.74385 2.75297 -215.29600 864.84133
3440.0000 -224.33739 -214.61556 9.72183 2.82692 -213.78905 889.82739
3445.0000 -224.83112 -213.49689 11.33423 2.77594 -214.82795 880.41876
3450.0000 -226.52252 -215.01925 11.50327 2.78361 -214.67162 899.07477
3455.0000 -224.92689 -215.89834 9.02855 2.78800 -214.58221 889.80945
3460.0000 -225.21641 -215.94534 9.27107 2.73635 -215.63468 857.13878
3465.0000 -225.59728 -215.36225 10.23503 2.72984 -215.76754 856.66158
3470.0000 -224.72665 -215.71025 9.01640 2.73064 -215.75122 853.67675
3475.0000 -228.04466 -216.84997 11.19469 2.70098 -216.35550 855.53540
3480.0000 -225.89283 -215.82842 10.06441 2.72204 -215.92632 867.24456
3485.0000 -227.20895 -217.44156 9.76739 2.65132 -217.36773 823.08766
3490.0000 -227.73026 -218.06349 9.66677 2.66401 -217.10896 829.84262
3495.0000 -225.36496 -215.49072 9.87423 2.71153 -216.14058 859.25814
3500.0000 -225.50266 -215.17449 10.32817 2.72975 -215.76922 827.24273
FREEZING PROCESS: loop number 15 T-loop= 820.00000000000000
main_MD> interactions number 15 at Temperature= 820.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.74700 -2.62201 3.26066
force_rgl> df(natom) -2.96295 0.61398 0.80838
3505.0000 -225.51976 -214.91139 10.60837 2.76437 -215.06364 871.52699
3510.0000 -226.31909 -217.10253 9.21655 2.71563 -216.05699 838.79659
3515.0000 -226.88038 -216.98390 9.89648 2.68804 -216.61933 806.71541
3520.0000 -225.80970 -215.31550 10.49420 2.70300 -216.31447 830.47288
3525.0000 -226.13511 -216.60498 9.53012 2.71542 -216.06124 843.14060
3530.0000 -228.12419 -217.92681 10.19738 2.62651 -217.87322 792.53265
3535.0000 -226.67232 -217.61634 9.05598 2.61098 -218.18977 765.08088
3540.0000 -227.40566 -217.98002 9.42563 2.63063 -217.78936 797.76862
3545.0000 -226.35657 -216.81653 9.54005 2.63251 -217.75106 776.02480
3550.0000 -225.46919 -215.22766 10.24153 2.67512 -216.88261 805.56963
3555.0000 -228.00545 -219.17731 8.82813 2.64117 -217.57454 774.28574
3560.0000 -224.81418 -217.05604 7.75814 2.58973 -218.62289 750.99448
3565.0000 -226.54605 -217.33534 9.21071 2.64001 -217.59821 781.77800
3570.0000 -227.75427 -218.06254 9.69173 2.67918 -216.79988 819.01031
3575.0000 -226.89082 -218.37467 8.51615 2.64852 -217.42467 803.09734
3580.0000 -227.57526 -218.17986 9.39541 2.59343 -218.54743 774.69855
3585.0000 -228.25055 -218.57236 9.67820 2.61800 -218.04664 785.05631
3590.0000 -227.51754 -219.27763 8.23992 2.57719 -218.87831 748.06242
3595.0000 -226.96235 -216.83287 10.12948 2.62271 -217.95064 806.10296
3600.0000 -227.79557 -216.56457 11.23100 2.67293 -216.92726 823.14424
3605.0000 -227.11692 -218.80859 8.30834 2.63946 -217.60942 797.00761
3610.0000 -228.10513 -218.61686 9.48827 2.60043 -218.40479 769.47095
3615.0000 -226.79553 -217.13509 9.66043 2.62783 -217.84640 777.19346
3620.0000 -226.76886 -218.06214 8.70672 2.65016 -217.39136 804.14565
3625.0000 -225.71290 -216.18773 9.52517 2.66657 -217.05684 810.74852
3630.0000 -226.35589 -216.26182 10.09407 2.72355 -215.89569 850.25563
3635.0000 -225.54716 -216.21424 9.33293 2.72704 -215.82455 858.60372
3640.0000 -225.41345 -216.05191 9.36154 2.70671 -216.23877 833.40216
3645.0000 -226.62447 -217.12766 9.49681 2.72326 -215.90158 835.60632
3650.0000 -227.68296 -216.99964 10.68333 2.67217 -216.94266 811.33663
3655.0000 -226.46192 -215.34838 11.11354 2.73773 -215.60668 871.02954
3660.0000 -224.46736 -214.24658 10.22078 2.75290 -215.29741 871.56107
3665.0000 -225.19571 -215.05473 10.14098 2.78619 -214.61898 870.17494
3670.0000 -225.56558 -215.15123 10.41435 2.75911 -215.17103 838.67539
3675.0000 -226.76429 -216.83842 9.92586 2.70424 -216.28909 832.60483
3680.0000 -224.53880 -215.31602 9.22278 2.69535 -216.47033 820.53895
3685.0000 -226.45139 -216.08128 10.37011 2.74376 -215.48382 851.19638
3690.0000 -225.87709 -215.24944 10.62765 2.71228 -216.12521 832.48450
3695.0000 -225.07817 -214.14304 10.93513 2.80922 -214.14968 899.82535
3700.0000 -225.90478 -214.93494 10.96984 2.76480 -215.05493 878.50534
3705.0000 -226.45890 -215.26749 11.19140 2.78276 -214.68895 882.42055
3710.0000 -226.27886 -216.76907 9.50979 2.67453 -216.89454 811.25531
3715.0000 -225.98877 -215.99675 9.99202 2.71247 -216.12138 830.44934
3720.0000 -226.76985 -217.13530 9.63455 2.68045 -216.77408 823.24207
3725.0000 -224.60349 -215.07741 9.52608 2.71494 -216.07105 842.15951
3730.0000 -223.85719 -213.28321 10.57398 2.86184 -213.07733 912.20500
3735.0000 -225.32238 -216.28857 9.03381 2.76836 -214.98247 858.97465
3740.0000 -225.81055 -216.59088 9.21967 2.75254 -215.30477 885.41282
3745.0000 -226.95362 -216.65360 10.30002 2.71307 -216.10911 834.64541
3750.0000 -228.66746 -217.34174 11.32572 2.67487 -216.88774 830.98999
FREEZING PROCESS: loop number 16 T-loop= 795.00000000000000
main_MD> interactions number 16 at Temperature= 795.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01655 2.89756 1.77354
force_rgl> df(natom) -0.15279 1.09026 -1.27195
3755.0000 -229.19109 -220.79659 8.39451 2.57641 -218.89422 767.68871
3760.0000 -228.43384 -219.35805 9.07579 2.51488 -220.14826 730.45342
3765.0000 -227.55899 -218.57184 8.98715 2.60947 -218.22046 772.50781
3770.0000 -227.83757 -217.31482 10.52274 2.62625 -217.87848 783.81311
3775.0000 -225.47627 -216.56228 8.91399 2.63298 -217.74138 773.81892
3780.0000 -227.53952 -217.26450 10.27502 2.69737 -216.42914 822.08605
3785.0000 -227.29032 -216.94232 10.34799 2.63732 -217.65286 828.11086
3790.0000 -227.98358 -217.35708 10.62650 2.64552 -217.48590 813.60647
3795.0000 -227.13997 -218.36783 8.77214 2.61492 -218.10948 757.76519
3800.0000 -226.45876 -217.81495 8.64381 2.63442 -217.71211 779.52898
3805.0000 -227.42636 -217.95276 9.47359 2.63731 -217.65324 797.15938
3810.0000 -227.19914 -218.12520 9.07394 2.65468 -217.29919 821.74089
3815.0000 -227.80608 -219.18392 8.62216 2.57657 -218.89102 750.81039
3820.0000 -226.57851 -217.80113 8.77738 2.60524 -218.30662 781.99633
3825.0000 -225.25258 -214.98660 10.26598 2.72033 -215.96133 847.63723
3830.0000 -225.86727 -216.01700 9.85027 2.73416 -215.67945 834.25574
3835.0000 -225.57350 -214.58337 10.99014 2.72824 -215.80008 830.24433
3840.0000 -227.25376 -217.81901 9.43475 2.73779 -215.60537 862.93994
3845.0000 -224.99168 -215.73786 9.25382 2.66575 -217.07364 795.25556
3850.0000 -225.38657 -214.76107 10.62550 2.71909 -215.98659 829.68883
3855.0000 -227.61520 -217.18055 10.43465 2.72174 -215.93249 848.08356
3860.0000 -225.32005 -215.41976 9.90030 2.69201 -216.53838 821.30704
3865.0000 -225.75164 -217.19276 8.55888 2.69280 -216.52236 798.12885
3870.0000 -225.30097 -216.44330 8.85767 2.66522 -217.08427 797.06114
3875.0000 -227.71264 -216.82602 10.88662 2.62953 -217.81172 811.76021
3880.0000 -227.12363 -218.30900 8.81463 2.60529 -218.30576 749.96708
3885.0000 -225.86563 -216.24457 9.62105 2.67372 -216.91109 829.93104
3890.0000 -225.10512 -215.32541 9.77971 2.78045 -214.73609 859.10912
3895.0000 -227.26968 -218.03110 9.23858 2.69501 -216.47716 822.74577
3900.0000 -227.63419 -219.27934 8.35485 2.56560 -219.11455 771.29729
3905.0000 -227.66622 -218.21152 9.45470 2.60360 -218.34022 765.92694
3910.0000 -228.45924 -218.37336 10.08588 2.64813 -217.43269 803.49217
3915.0000 -226.88149 -217.88090 9.00059 2.58390 -218.74153 744.85502
3920.0000 -226.40786 -216.78601 9.62185 2.63751 -217.64897 776.06028
3925.0000 -226.94553 -218.05793 8.88760 2.63094 -217.78298 761.85528
3930.0000 -226.16810 -216.48757 9.68053 2.65267 -217.34021 794.27679
3935.0000 -226.93964 -217.56123 9.37842 2.58252 -218.76980 758.52516
3940.0000 -228.21248 -218.86892 9.34356 2.63124 -217.77690 777.79371
3945.0000 -226.17757 -216.11124 10.06633 2.63300 -217.74102 798.92320
3950.0000 -228.00702 -218.90514 9.10188 2.65397 -217.31357 812.69457
3955.0000 -228.31282 -219.23429 9.07853 2.60753 -218.25996 755.39646
3960.0000 -227.56269 -218.00740 9.55529 2.59375 -218.54090 766.20970
3965.0000 -225.15432 -216.00786 9.14646 2.64616 -217.47280 812.97462
3970.0000 -227.47364 -216.54223 10.93141 2.67246 -216.93691 822.76543
3975.0000 -226.93585 -215.69221 11.24363 2.68958 -216.58788 825.01823
3980.0000 -224.21157 -214.33980 9.87177 2.79188 -214.50319 869.99932
3985.0000 -227.49341 -217.63839 9.85502 2.70492 -216.27538 843.81504
3990.0000 -226.70697 -217.74879 8.95818 2.63726 -217.65407 802.27960
3995.0000 -227.57366 -217.47598 10.09768 2.63834 -217.63208 772.51043
4000.0000 -228.50604 -218.03684 10.46920 2.60622 -218.28676 779.99953
FREEZING PROCESS: loop number 17 T-loop= 770.00000000000000
main_MD> interactions number 17 at Temperature= 770.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.08160 -2.84959 0.14815
force_rgl> df(natom) -2.08679 -4.79078 -0.90034
4005.0000 -226.14860 -216.70541 9.44319 2.65287 -217.33608 814.19926
4010.0000 -226.86953 -216.14001 10.72952 2.71111 -216.14919 838.92286
4015.0000 -227.63907 -217.73241 9.90666 2.70476 -216.27860 831.80344
4020.0000 -225.99265 -216.78786 9.20479 2.62203 -217.96457 752.61707
4025.0000 -227.27651 -218.84570 8.43081 2.65314 -217.33053 815.26369
4030.0000 -225.91272 -216.70444 9.20828 2.65377 -217.31761 812.36841
4035.0000 -227.41429 -218.13892 9.27537 2.63057 -217.79053 781.86272
4040.0000 -227.71136 -218.44745 9.26391 2.60266 -218.35920 798.84159
4045.0000 -227.39959 -216.11649 11.28310 2.67106 -216.96539 835.50292
4050.0000 -227.53246 -218.55824 8.97422 2.66137 -217.16288 807.57476
4055.0000 -227.00063 -218.08593 8.91469 2.59441 -218.52742 745.37063
4060.0000 -228.23349 -219.35701 8.87648 2.60346 -218.34302 788.60129
4065.0000 -229.23905 -220.32174 8.91732 2.53950 -219.64654 754.86745
4070.0000 -227.59923 -218.28556 9.31367 2.57981 -218.82498 766.77268
4075.0000 -227.71004 -218.03775 9.67230 2.57622 -218.89812 750.94696
4080.0000 -226.29084 -216.34052 9.95032 2.66517 -217.08541 832.51100
4085.0000 -227.07833 -218.02145 9.05688 2.63594 -217.68103 788.67926
4090.0000 -226.87819 -218.56693 8.31126 2.60976 -218.21469 755.34863
4095.0000 -227.72767 -220.04341 7.68427 2.55751 -219.27943 737.65513
4100.0000 -228.37399 -218.18189 10.19210 2.55796 -219.27015 735.55124
4105.0000 -226.41376 -217.11546 9.29829 2.65208 -217.35210 784.77964
4110.0000 -227.41579 -217.81046 9.60534 2.62307 -217.94336 760.28716
4115.0000 -226.01025 -216.75601 9.25423 2.64682 -217.45938 770.81024
4120.0000 -227.73689 -217.91086 9.82603 2.62901 -217.82220 786.43934
4125.0000 -228.26299 -219.76465 8.49834 2.60461 -218.31962 798.27461
4130.0000 -229.66737 -221.87469 7.79268 2.49357 -220.58251 722.48985
4135.0000 -226.79625 -218.82455 7.97170 2.57977 -218.82578 762.58532
4140.0000 -228.30893 -217.84797 10.46096 2.56761 -219.07354 765.54757
4145.0000 -226.43552 -216.61035 9.82517 2.66168 -217.15652 801.17585
4150.0000 -226.69389 -217.09345 9.60043 2.66100 -217.17030 800.80791
4155.0000 -226.74060 -217.30278 9.43782 2.62933 -217.81576 769.86888
4160.0000 -227.75697 -217.98546 9.77151 2.64139 -217.56991 794.57296
4165.0000 -227.29936 -215.91315 11.38620 2.67023 -216.98230 825.45250
4170.0000 -226.50381 -216.42445 10.07936 2.72692 -215.82696 853.67086
4175.0000 -226.79089 -216.79044 10.00046 2.69804 -216.41551 834.37520
4180.0000 -226.31995 -218.17182 8.14813 2.60464 -218.31885 771.69518
4185.0000 -226.52615 -217.73485 8.79131 2.62065 -217.99272 798.78163
4190.0000 -226.52216 -216.10972 10.41243 2.65596 -217.27308 807.27345
4195.0000 -226.76320 -218.75743 8.00577 2.60185 -218.37580 768.71470
4200.0000 -227.88277 -218.89442 8.98835 2.57681 -218.88612 756.36189
4205.0000 -228.69441 -219.36040 9.33402 2.54416 -219.55157 750.59050
4210.0000 -226.47824 -217.37209 9.10615 2.60953 -218.21933 785.88036
4215.0000 -227.49821 -217.99016 9.50805 2.64848 -217.42553 802.16302
4220.0000 -228.39159 -220.19374 8.19786 2.58571 -218.70471 770.37676
4225.0000 -228.37164 -219.59777 8.77386 2.54589 -219.51633 742.19671
4230.0000 -227.20089 -218.72526 8.47564 2.56525 -219.12175 765.19229
4235.0000 -227.69885 -217.71055 9.98830 2.63066 -217.78860 771.66886
4240.0000 -227.97787 -218.63960 9.33827 2.57613 -218.89993 754.59714
4245.0000 -226.68310 -216.77988 9.90322 2.63640 -217.67168 787.81625
4250.0000 -226.85541 -218.25027 8.60514 2.65309 -217.33161 799.90071
FREEZING PROCESS: loop number 18 T-loop= 745.00000000000000
main_MD> interactions number 18 at Temperature= 745.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24579 0.76531 0.04863
force_rgl> df(natom) -0.09646 7.14896 3.57283
4255.0000 -226.82088 -218.54211 8.27877 2.57841 -218.85339 748.13718
4260.0000 -227.18407 -219.04762 8.13645 2.58790 -218.66008 749.61895
4265.0000 -227.85659 -220.18013 7.67646 2.57509 -218.92121 737.29961
4270.0000 -228.97856 -219.79902 9.17954 2.51529 -220.13989 730.87459
4275.0000 -227.86772 -220.11972 7.74799 2.52207 -220.00170 715.88038
4280.0000 -229.02455 -220.23538 8.78917 2.49894 -220.47301 694.05259
4285.0000 -229.24548 -220.95614 8.28934 2.48276 -220.80275 694.50782
4290.0000 -228.49322 -220.06133 8.43189 2.50103 -220.43039 723.59844
4295.0000 -226.98316 -217.73861 9.24456 2.59237 -218.56891 779.39074
4300.0000 -228.86185 -220.06800 8.79385 2.53763 -219.68462 730.23843
4305.0000 -229.15712 -219.15269 10.00443 2.54636 -219.50668 751.69886
4310.0000 -230.09730 -221.71531 8.38199 2.49192 -220.61602 705.80254
4315.0000 -229.16004 -220.88113 8.27891 2.49631 -220.52660 701.33211
4320.0000 -228.78298 -220.63052 8.15246 2.47830 -220.89361 701.05438
4325.0000 -229.49599 -220.10367 9.39233 2.50564 -220.33654 731.54994
4330.0000 -228.66382 -219.92535 8.73847 2.49332 -220.58757 722.43989
4335.0000 -227.87464 -218.62848 9.24616 2.56644 -219.09736 774.35029
4340.0000 -229.90897 -222.36863 7.54035 2.48963 -220.66284 745.79974
4345.0000 -228.78057 -220.24042 8.54015 2.46516 -221.16153 705.28444
4350.0000 -228.45781 -220.76295 7.69486 2.47509 -220.95907 694.44404
4355.0000 -229.52281 -220.74875 8.77405 2.46216 -221.22250 693.13457
4360.0000 -226.60838 -218.61097 7.99741 2.54473 -219.53979 741.93161
4365.0000 -227.51871 -218.61165 8.90706 2.57234 -218.97714 728.43387
4370.0000 -227.83634 -219.64682 8.18952 2.59479 -218.51959 763.90232
4375.0000 -229.07204 -220.59691 8.47513 2.51578 -220.12979 704.17838
4380.0000 -230.04282 -220.94378 9.09904 2.47245 -221.01300 695.45848
4385.0000 -229.27777 -220.55167 8.72611 2.44993 -221.47183 696.02707
4390.0000 -228.53947 -219.30054 9.23893 2.51253 -220.19616 727.35187
4395.0000 -228.75731 -218.50815 10.24916 2.58895 -218.63877 776.87544
4400.0000 -227.14248 -217.91644 9.22603 2.58358 -218.74810 759.95419
4405.0000 -226.88089 -217.10672 9.77417 2.67314 -216.92299 813.84989
4410.0000 -227.77933 -218.22975 9.54958 2.67997 -216.78369 809.45507
4415.0000 -228.19692 -217.96026 10.23665 2.64176 -217.56254 779.04956
4420.0000 -227.92367 -217.80134 10.12233 2.59553 -218.50463 778.01942
4425.0000 -227.65637 -216.99038 10.66599 2.61114 -218.18643 758.90211
4430.0000 -227.26417 -217.60836 9.65581 2.62754 -217.85220 763.85086
4435.0000 -227.70692 -219.31638 8.39054 2.54542 -219.52589 734.97803
4440.0000 -229.24843 -220.29432 8.95411 2.49366 -220.58061 706.90878
4445.0000 -228.23432 -219.02729 9.20703 2.51721 -220.10063 721.01387
4450.0000 -228.09849 -219.25878 8.83970 2.50359 -220.37829 726.11706
4455.0000 -228.82443 -219.85337 8.97107 2.54840 -219.46506 751.45994
4460.0000 -227.63625 -218.94200 8.69425 2.53198 -219.79978 717.65358
4465.0000 -226.85518 -218.53507 8.32012 2.57700 -218.88213 764.66531
4470.0000 -227.83548 -218.64332 9.19216 2.56625 -219.10121 752.32724
4475.0000 -229.49063 -220.13239 9.35824 2.53317 -219.77552 742.44505
4480.0000 -228.72970 -219.33047 9.39923 2.50373 -220.37533 734.44198
4485.0000 -228.50664 -219.24364 9.26301 2.53153 -219.80891 730.50608
4490.0000 -228.82207 -220.88439 7.93769 2.52159 -220.01145 728.85855
4495.0000 -228.53317 -219.69925 8.83392 2.50462 -220.35732 700.46256
4500.0000 -227.68001 -218.87708 8.80293 2.59035 -218.61010 741.42808
FREEZING PROCESS: loop number 19 T-loop= 720.00000000000000
main_MD> interactions number 19 at Temperature= 720.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19928 -3.15902 0.38709
force_rgl> df(natom) 0.22205 -0.11073 -0.18794
4505.0000 -230.15062 -218.45286 11.69776 2.58429 -218.73360 772.14047
4510.0000 -228.10374 -219.15115 8.95259 2.55384 -219.35429 776.14409
4515.0000 -227.83202 -219.88419 7.94783 2.53587 -219.72044 718.15469
4520.0000 -227.80851 -219.89828 7.91023 2.52990 -219.84217 747.80912
4525.0000 -227.14235 -218.71659 8.42576 2.55758 -219.27805 739.03730
4530.0000 -226.89410 -219.65477 7.23932 2.58050 -218.81086 754.65814
4535.0000 -228.60585 -219.66431 8.94154 2.53134 -219.81268 723.99018
4540.0000 -229.84046 -221.89038 7.95009 2.47788 -220.90232 690.57834
4545.0000 -230.45678 -222.92937 7.52742 2.38585 -222.77766 647.72165
4550.0000 -230.85132 -220.91742 9.93389 2.41346 -222.21498 665.65730
4555.0000 -230.13505 -221.70054 8.43451 2.46379 -221.18931 697.25137
4560.0000 -230.05435 -222.93285 7.12149 2.37992 -222.89852 637.82999
4565.0000 -230.30925 -223.24727 7.06198 2.32991 -223.91781 596.69153
4570.0000 -229.57495 -221.81117 7.76377 2.39661 -222.55850 646.52739
4575.0000 -228.47871 -220.98406 7.49465 2.41650 -222.15308 661.92198
4580.0000 -229.58114 -221.01787 8.56327 2.47294 -221.00294 683.96220
4585.0000 -229.13115 -219.79970 9.33145 2.55626 -219.30482 740.35875
4590.0000 -228.47901 -219.70943 8.76959 2.51917 -220.06084 728.55566
4595.0000 -228.34994 -220.69978 7.65016 2.51097 -220.22779 737.80036
4600.0000 -228.30899 -221.01903 7.28996 2.49311 -220.59183 706.40755
4605.0000 -229.18476 -220.60783 8.57693 2.47857 -220.88822 683.73188
4610.0000 -228.53337 -220.73557 7.79781 2.50280 -220.39440 706.63024
4615.0000 -227.61285 -218.19711 9.41574 2.52917 -219.85703 732.04730
4620.0000 -227.11119 -218.80699 8.30419 2.63445 -217.71139 787.41786
4625.0000 -226.95493 -217.87159 9.08334 2.59225 -218.57142 769.69894
4630.0000 -227.94553 -218.67809 9.26744 2.60550 -218.30131 775.04651
4635.0000 -226.19355 -217.47321 8.72034 2.63576 -217.68476 797.96548
4640.0000 -226.42767 -218.26083 8.16684 2.62800 -217.84278 771.23858
4645.0000 -229.05586 -218.95803 10.09782 2.62244 -217.95623 772.88743
4650.0000 -228.98195 -220.04547 8.93648 2.52187 -220.00567 708.07606
4655.0000 -229.74513 -221.36721 8.37792 2.49590 -220.53500 701.75646
4660.0000 -227.35036 -219.26823 8.08213 2.50895 -220.26897 705.61166
4665.0000 -229.87536 -221.41238 8.46298 2.53574 -219.72310 727.26302
4670.0000 -227.99525 -218.33951 9.65574 2.56337 -219.15995 733.34356
4675.0000 -227.24453 -219.30231 7.94222 2.60295 -218.35348 789.92639
4680.0000 -228.88315 -219.88437 8.99878 2.52161 -220.01111 725.38146
4685.0000 -229.37831 -220.39216 8.98615 2.50190 -220.41276 739.65884
4690.0000 -227.10534 -219.33737 7.76797 2.48818 -220.69238 710.10790
4695.0000 -229.15002 -220.67478 8.47524 2.49735 -220.50538 702.06381
4700.0000 -229.71979 -220.27811 9.44168 2.48190 -220.82022 714.87049
4705.0000 -228.82339 -221.12004 7.70335 2.44781 -221.51514 676.97867
4710.0000 -229.49329 -221.01660 8.47669 2.44901 -221.49054 676.50723
4715.0000 -228.18215 -220.38390 7.79825 2.48343 -220.78919 698.49011
4720.0000 -228.09762 -218.93320 9.16443 2.49436 -220.56630 716.95352
4725.0000 -228.29166 -219.71453 8.57714 2.54724 -219.48870 736.93191
4730.0000 -228.56545 -221.83465 6.73080 2.47772 -220.90552 701.16948
4735.0000 -230.18608 -221.43526 8.75083 2.48988 -220.65759 712.77874
4740.0000 -230.65285 -223.23877 7.41409 2.40790 -222.32846 636.29830
4745.0000 -228.55394 -220.56533 7.98861 2.45210 -221.42761 683.06265
4750.0000 -226.85079 -219.55816 7.29264 2.52257 -219.99157 721.51582
FREEZING PROCESS: loop number 20 T-loop= 695.00000000000000
main_MD> interactions number 20 at Temperature= 695.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42392 2.56801 -1.71856
force_rgl> df(natom) -0.64199 1.87098 -1.17011
4755.0000 -229.69367 -221.80943 7.88424 2.50795 -220.28949 722.21323
4760.0000 -229.73037 -222.30644 7.42393 2.41220 -222.24079 663.43086
4765.0000 -229.30368 -222.13891 7.16478 2.41343 -222.21567 639.92565
4770.0000 -229.14526 -220.43783 8.70744 2.45465 -221.37569 664.69549
4775.0000 -228.03782 -219.00266 9.03516 2.54677 -219.49825 737.70217
4780.0000 -228.99721 -220.12007 8.87714 2.53526 -219.73289 708.91242
4785.0000 -228.69079 -220.65240 8.03839 2.47411 -220.97914 711.03090
4790.0000 -229.94508 -220.92550 9.01958 2.47146 -221.03316 701.33998
4795.0000 -230.77449 -222.80905 7.96543 2.43763 -221.72245 660.76531
4800.0000 -230.19322 -222.23957 7.95365 2.44222 -221.62899 675.93641
4805.0000 -230.39293 -222.20582 8.18712 2.38080 -222.88073 630.13888
4810.0000 -228.56977 -221.43475 7.13503 2.41713 -222.14028 646.82708
4815.0000 -229.50757 -221.73247 7.77509 2.47415 -220.97828 694.25767
4820.0000 -229.99207 -221.00905 8.98302 2.42773 -221.92420 672.68746
4825.0000 -230.12477 -223.01602 7.10876 2.41997 -222.08251 677.69499
4830.0000 -229.08434 -221.53822 7.54612 2.41454 -222.19316 649.37109
4835.0000 -230.14519 -222.17854 7.96665 2.46769 -221.10998 700.63832
4840.0000 -229.67468 -221.60760 8.06708 2.43436 -221.78905 677.24642
4845.0000 -228.89681 -220.01682 8.87999 2.50211 -220.40838 715.65178
4850.0000 -229.35123 -221.20190 8.14933 2.46331 -221.19918 698.72344
4855.0000 -229.18986 -221.38361 7.80625 2.45541 -221.36013 693.79584
4860.0000 -229.24430 -221.63802 7.60627 2.45123 -221.44527 676.81948
4865.0000 -228.83644 -220.69156 8.14488 2.45866 -221.29385 692.01223
4870.0000 -230.19048 -222.03056 8.15992 2.44382 -221.59637 692.01258
4875.0000 -228.68233 -221.15138 7.53095 2.44168 -221.64006 665.06047
4880.0000 -228.28764 -220.13337 8.15427 2.48518 -220.75352 693.91652
4885.0000 -229.32588 -221.31421 8.01167 2.44793 -221.51255 679.32231
4890.0000 -228.29160 -220.25110 8.04051 2.50887 -220.27061 741.88634
4895.0000 -228.66490 -219.77971 8.88519 2.55315 -219.36824 762.63804
4900.0000 -229.37278 -220.82376 8.54902 2.53051 -219.82964 724.15886
4905.0000 -229.16109 -221.57348 7.58761 2.44759 -221.51961 662.67099
4910.0000 -230.57682 -222.21212 8.36470 2.40649 -222.35713 646.60323
4915.0000 -229.87550 -221.13195 8.74356 2.42100 -222.06133 652.69780
4920.0000 -227.75067 -218.23091 9.51975 2.56696 -219.08680 750.78366
4925.0000 -230.81004 -222.34502 8.46502 2.50758 -220.29697 722.33940
4930.0000 -228.44534 -219.77417 8.67118 2.45140 -221.44192 671.07233
4935.0000 -230.14636 -222.69100 7.45535 2.46001 -221.26633 675.34643
4940.0000 -228.62604 -219.61593 9.01010 2.46409 -221.18331 663.58804
4945.0000 -227.57789 -219.34243 8.23546 2.53368 -219.76507 725.75017
4950.0000 -229.81981 -220.92900 8.89081 2.51519 -220.14198 696.46862
4955.0000 -228.85839 -220.29937 8.55902 2.51871 -220.07024 719.49720
4960.0000 -230.58626 -222.54325 8.04300 2.43776 -221.71982 684.96744
4965.0000 -229.08846 -221.78159 7.30687 2.41385 -222.20713 659.57686
4970.0000 -228.32919 -220.39055 7.93865 2.46429 -221.17924 686.21627
4975.0000 -229.10374 -219.61553 9.48821 2.52224 -219.99816 728.74251
4980.0000 -227.40040 -220.14982 7.25058 2.55399 -219.35122 732.56805
4985.0000 -228.22023 -219.13159 9.08864 2.55843 -219.26059 737.10466
4990.0000 -227.63781 -218.84412 8.79369 2.55733 -219.28299 727.71933
4995.0000 -229.29923 -219.81058 9.48866 2.54814 -219.47033 717.24197
5000.0000 -229.93700 -221.67412 8.26288 2.49192 -220.61620 696.70842
FREEZING PROCESS: loop number 21 T-loop= 670.00000000000000
main_MD> interactions number 21 at Temperature= 670.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26750 5.59386 1.42593
force_rgl> df(natom) -2.90736 0.90277 1.26163
5005.0000 -227.60902 -219.43534 8.17368 2.48400 -220.77746 692.16421
5010.0000 -228.58204 -219.65001 8.93203 2.51886 -220.06706 734.18158
5015.0000 -229.83623 -222.07931 7.75692 2.44062 -221.66166 682.22183
5020.0000 -229.54711 -221.77296 7.77415 2.43451 -221.78618 671.13007
5025.0000 -230.26270 -220.74470 9.51800 2.46517 -221.16121 693.96709
5030.0000 -229.90798 -221.83087 8.07711 2.46273 -221.21103 703.14689
5035.0000 -228.30172 -220.49997 7.80175 2.47142 -221.03391 682.24143
5040.0000 -229.62660 -222.87894 6.74766 2.46350 -221.19537 706.57142
5045.0000 -229.89010 -221.26653 8.62357 2.46384 -221.18834 676.83566
5050.0000 -228.01227 -219.35108 8.66119 2.51076 -220.23219 707.66093
5055.0000 -228.27612 -218.88419 9.39193 2.56520 -219.12268 750.21277
5060.0000 -229.98286 -221.96209 8.02077 2.52198 -220.00348 727.75548
5065.0000 -229.23813 -220.90430 8.33382 2.45383 -221.39242 690.28459
5070.0000 -229.22925 -222.18895 7.04031 2.46531 -221.15840 703.16495
5075.0000 -230.93545 -222.31775 8.61770 2.38158 -222.86474 658.10766
5080.0000 -230.25289 -221.79431 8.45858 2.46008 -221.26491 698.19072
5085.0000 -230.25950 -222.02271 8.23679 2.46097 -221.24691 671.25468
5090.0000 -231.25024 -223.28784 7.96240 2.38443 -222.80677 617.67708
5095.0000 -229.59099 -221.79402 7.79697 2.41291 -222.22636 658.97695
5100.0000 -229.34924 -221.31108 8.03816 2.46459 -221.17310 691.13854
5105.0000 -229.07388 -220.67245 8.40143 2.48355 -220.78667 704.91332
5110.0000 -229.01058 -220.93726 8.07332 2.45484 -221.37178 682.17444
5115.0000 -229.55697 -221.66383 7.89313 2.44071 -221.65966 661.58295
5120.0000 -232.12343 -222.51550 9.60794 2.43513 -221.77350 676.00223
5125.0000 -230.39406 -223.91210 6.48196 2.37188 -223.06237 631.08405
5130.0000 -230.15608 -221.09781 9.05827 2.37781 -222.94156 634.35501
5135.0000 -229.56759 -221.30029 8.26731 2.45964 -221.27399 701.82042
5140.0000 -227.95287 -219.41148 8.54139 2.51195 -220.20791 700.73783
5145.0000 -229.37220 -219.91261 9.45959 2.50695 -220.30980 707.58124
5150.0000 -230.33444 -221.18949 9.14495 2.51939 -220.05633 721.00601
5155.0000 -228.15509 -220.59522 7.55987 2.48486 -220.75991 693.94117
5160.0000 -230.39700 -221.52357 8.87343 2.46497 -221.16542 688.88157
5165.0000 -228.80591 -221.16677 7.63915 2.45246 -221.42022 669.96782
5170.0000 -229.33040 -220.55909 8.77131 2.46360 -221.19322 667.08516
5175.0000 -228.74869 -220.06552 8.68317 2.48840 -220.68787 707.76888
5180.0000 -228.53384 -221.04887 7.48497 2.52006 -220.04261 719.89571
5185.0000 -228.95493 -220.10377 8.85116 2.46509 -221.16287 662.11207
5190.0000 -230.13242 -222.69637 7.43605 2.44820 -221.50704 679.46940
5195.0000 -229.52834 -222.89174 6.63660 2.41326 -222.21922 660.75236
5200.0000 -229.50943 -222.15670 7.35274 2.38562 -222.78249 652.09204
5205.0000 -229.89228 -221.55164 8.34064 2.44085 -221.65689 685.49815
5210.0000 -228.30632 -219.80106 8.50526 2.51435 -220.15905 712.98954
5215.0000 -228.60895 -219.74995 8.85900 2.50278 -220.39488 697.47816
5220.0000 -229.50402 -220.43789 9.06613 2.46575 -221.14951 693.35473
5225.0000 -228.67943 -219.49653 9.18290 2.53114 -219.81677 728.46172
5230.0000 -228.51853 -220.81418 7.70435 2.55776 -219.27427 739.77129
5235.0000 -229.35084 -220.89958 8.45126 2.45531 -221.36211 672.73293
5240.0000 -230.36369 -221.99797 8.36572 2.43272 -221.82255 663.85680
5245.0000 -230.16515 -222.08449 8.08066 2.45322 -221.40481 681.97845
5250.0000 -230.49845 -223.23818 7.26027 2.40087 -222.47174 653.84621
FREEZING PROCESS: loop number 22 T-loop= 645.00000000000000
main_MD> interactions number 22 at Temperature= 645.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.22757 -4.22230 0.37031
force_rgl> df(natom) -1.71537 0.53035 0.04773
5255.0000 -230.23996 -221.78724 8.45272 2.42156 -222.04995 649.24037
5260.0000 -229.38447 -222.34729 7.03718 2.39417 -222.60817 652.38977
5265.0000 -229.26159 -221.72848 7.53311 2.41957 -222.09060 658.66654
5270.0000 -229.30382 -221.58099 7.72282 2.43381 -221.80038 667.16680
5275.0000 -229.73073 -221.50827 8.22246 2.45179 -221.43394 678.42640
5280.0000 -230.41952 -222.23666 8.18286 2.44341 -221.60477 674.44707
5285.0000 -229.10199 -221.62340 7.47859 2.43421 -221.79225 684.43494
5290.0000 -229.74979 -221.78569 7.96410 2.45184 -221.43299 667.51050
5295.0000 -229.22011 -222.36854 6.85156 2.40585 -222.37013 635.38540
5300.0000 -230.08372 -222.09932 7.98440 2.38119 -222.87262 612.04224
5305.0000 -228.95201 -221.59321 7.35881 2.43458 -221.78461 655.10423
5310.0000 -229.92204 -222.16926 7.75278 2.47073 -221.04798 685.84248
5315.0000 -229.12442 -222.82760 6.29682 2.38866 -222.72053 627.45048
5320.0000 -231.68790 -224.40843 7.27947 2.34068 -223.69823 611.20934
5325.0000 -229.98473 -223.34290 6.64183 2.35007 -223.50699 616.59117
5330.0000 -231.13100 -223.06202 8.06897 2.36703 -223.16133 619.91969
5335.0000 -229.98049 -221.99281 7.98768 2.37396 -223.02006 641.26296
5340.0000 -230.36065 -221.95449 8.40615 2.42885 -221.90142 705.39283
5345.0000 -230.49838 -221.97643 8.52195 2.42874 -221.90369 686.66589
5350.0000 -230.75987 -223.70455 7.05532 2.37953 -222.90655 659.65654
5355.0000 -231.26953 -223.99064 7.27889 2.28148 -224.90473 584.40258
5360.0000 -230.99325 -224.73057 6.26268 2.32332 -224.05204 591.29740
5365.0000 -231.25628 -222.36884 8.88744 2.32692 -223.97872 602.92682
5370.0000 -231.26797 -223.23646 8.03151 2.41409 -222.20221 649.09836
5375.0000 -230.54574 -222.99932 7.54641 2.37328 -223.03400 627.68606
5380.0000 -231.96048 -224.68036 7.28012 2.36912 -223.11861 619.34213
5385.0000 -231.12486 -223.50026 7.62460 2.35878 -223.32949 620.39559
5390.0000 -229.89250 -223.19473 6.69777 2.39737 -222.54289 644.28206
5395.0000 -229.84480 -223.14720 6.69761 2.36416 -223.21981 630.43345
5400.0000 -230.63542 -222.91595 7.71947 2.36998 -223.10119 611.06310
5405.0000 -231.22632 -224.07807 7.14825 2.36678 -223.16648 640.47874
5410.0000 -230.44127 -223.62529 6.81598 2.31993 -224.12110 589.91100
5415.0000 -229.77143 -222.67843 7.09299 2.35305 -223.44619 619.51709
5420.0000 -231.10307 -223.18714 7.91592 2.37623 -222.97384 628.23976
5425.0000 -229.81398 -222.76544 7.04854 2.36588 -223.18472 614.61099
5430.0000 -229.89968 -221.95262 7.94706 2.39332 -222.62560 635.13844
5435.0000 -230.71190 -223.18524 7.52667 2.38873 -222.71903 632.15525
5440.0000 -230.76747 -223.77150 6.99598 2.36562 -223.19007 639.94389
5445.0000 -229.66920 -222.64871 7.02049 2.34286 -223.65384 618.59899
5450.0000 -228.16930 -220.53406 7.63524 2.44073 -221.65937 682.58085
5455.0000 -227.92355 -219.69186 8.23169 2.52775 -219.88594 730.18215
5460.0000 -229.10482 -219.85360 9.25122 2.55472 -219.33630 731.43849
5465.0000 -228.05353 -219.15389 8.89963 2.51447 -220.15657 705.62561
5470.0000 -227.04517 -219.11864 7.92653 2.54883 -219.45640 705.01000
5475.0000 -227.78695 -219.62217 8.16478 2.55611 -219.30797 732.90935
5480.0000 -230.82161 -222.43108 8.39053 2.42746 -221.92981 648.86300
5485.0000 -231.14503 -223.55924 7.58578 2.38438 -222.80765 658.72602
5490.0000 -230.79301 -223.38513 7.40788 2.32612 -223.99496 625.50658
5495.0000 -230.91913 -223.81552 7.10361 2.35767 -223.35203 634.68862
5500.0000 -231.43557 -224.69090 6.74468 2.31674 -224.18611 600.35288
FREEZING PROCESS: loop number 23 T-loop= 620.00000000000000
main_MD> interactions number 23 at Temperature= 620.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89194 -2.67046 -2.95561
force_rgl> df(natom) 3.51756 -0.39452 6.64172
5505.0000 -231.19727 -223.85180 7.34547 2.31956 -224.12880 596.14450
5510.0000 -230.22026 -222.82661 7.39365 2.34320 -223.64695 614.22790
5515.0000 -229.42866 -221.06885 8.35980 2.43010 -221.87601 657.49821
5520.0000 -230.85516 -222.87943 7.97574 2.44803 -221.51065 649.14187
5525.0000 -229.67942 -221.87633 7.80309 2.42073 -222.06691 652.29753
5530.0000 -231.17286 -222.93124 8.24163 2.35398 -223.42719 607.36257
5535.0000 -229.48030 -222.13416 7.34614 2.40509 -222.38558 657.37396
5540.0000 -229.40057 -221.34220 8.05836 2.43952 -221.68390 660.20047
5545.0000 -230.44182 -223.25556 7.18626 2.44013 -221.67146 663.65918
5550.0000 -230.09259 -223.66319 6.42940 2.34505 -223.60930 597.17555
5555.0000 -230.75431 -222.66223 8.09207 2.37321 -223.03538 637.26355
5560.0000 -229.20381 -221.40165 7.80217 2.41757 -222.13134 665.65630
5565.0000 -229.43491 -221.31236 8.12255 2.45961 -221.27454 670.13993
5570.0000 -231.33565 -223.60538 7.73027 2.39424 -222.60683 626.06948
5575.0000 -230.77422 -222.76840 8.00582 2.35070 -223.49414 613.48210
5580.0000 -229.57410 -221.83209 7.74201 2.40588 -222.36956 655.41837
5585.0000 -229.26500 -221.55589 7.70911 2.46604 -221.14343 678.01929
5590.0000 -230.54481 -222.61505 7.92976 2.44649 -221.54191 667.05884
5595.0000 -230.14072 -222.78198 7.35874 2.38815 -222.73092 640.82764
5600.0000 -231.05649 -223.49882 7.55767 2.36934 -223.11428 631.06763
5605.0000 -231.00209 -224.12906 6.87303 2.34931 -223.52236 617.20426
5610.0000 -230.83362 -224.28398 6.54964 2.30507 -224.42392 575.37312
5615.0000 -231.01339 -223.37090 7.64249 2.32104 -224.09845 596.57915
5620.0000 -232.31369 -225.70299 6.61070 2.29968 -224.53389 595.13503
5625.0000 -231.18224 -224.01584 7.16641 2.27760 -224.98388 570.16394
5630.0000 -232.70237 -225.89920 6.80317 2.28665 -224.79931 589.04426
5635.0000 -230.88209 -224.46164 6.42045 2.29234 -224.68334 586.73902
5640.0000 -230.24882 -223.31644 6.93239 2.33611 -223.79141 603.83584
5645.0000 -230.13439 -222.00064 8.13376 2.36542 -223.19418 604.16152
5650.0000 -229.62339 -221.81099 7.81241 2.42646 -221.95008 650.01879
5655.0000 -229.49237 -222.46711 7.02526 2.39101 -222.67251 633.62383
5660.0000 -231.34558 -223.09785 8.24772 2.38464 -222.80231 623.34235
5665.0000 -231.84677 -223.70718 8.13959 2.31667 -224.18751 588.58348
5670.0000 -230.18400 -222.77102 7.41299 2.33934 -223.72565 604.01462
5675.0000 -229.62220 -221.98299 7.63920 2.34792 -223.55065 623.26682
5680.0000 -228.86268 -221.80769 7.05499 2.42300 -222.02062 675.39075
5685.0000 -229.37076 -221.74089 7.62987 2.42246 -222.03176 664.15447
5690.0000 -229.94545 -221.56987 8.37558 2.44109 -221.65196 685.57558
5695.0000 -230.50144 -223.44745 7.05399 2.41537 -222.17606 672.67109
5700.0000 -229.82196 -223.55036 6.27160 2.34516 -223.60690 599.04583
5705.0000 -229.46295 -220.73535 8.72761 2.41714 -222.14003 662.20598
5710.0000 -230.59630 -223.43940 7.15690 2.38088 -222.87905 632.45413
5715.0000 -231.08441 -224.44172 6.64269 2.32112 -224.09685 590.24111
5720.0000 -229.41035 -221.41410 7.99624 2.41131 -222.25894 657.28552
5725.0000 -229.35744 -221.30284 8.05460 2.46526 -221.15934 686.01652
5730.0000 -230.57034 -223.67741 6.89293 2.40008 -222.48769 648.37563
5735.0000 -230.92047 -223.27121 7.64926 2.36770 -223.14770 623.36863
5740.0000 -232.10212 -224.31116 7.79096 2.32392 -224.03990 608.09354
5745.0000 -231.29047 -223.25678 8.03369 2.32760 -223.96479 607.55080
5750.0000 -230.10590 -223.01205 7.09385 2.36995 -223.10173 645.68741
FREEZING PROCESS: loop number 24 T-loop= 595.00000000000000
main_MD> interactions number 24 at Temperature= 595.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.05389 -2.99478 3.44691
force_rgl> df(natom) 3.09469 0.96312 3.24023
5755.0000 -233.25458 -225.62585 7.62873 2.30497 -224.42596 617.79203
5760.0000 -232.69398 -225.21680 7.47719 2.28411 -224.85116 591.69463
5765.0000 -232.03550 -225.03394 7.00155 2.28566 -224.81956 593.06561
5770.0000 -231.79983 -224.13060 7.66923 2.25501 -225.44416 573.20395
5775.0000 -231.23175 -223.99005 7.24170 2.31911 -224.13781 604.37585
5780.0000 -229.06489 -222.90753 6.15737 2.37344 -223.03057 637.37657
5785.0000 -232.36423 -223.29088 9.07335 2.32923 -223.93160 596.75327
5790.0000 -230.59108 -222.36484 8.22624 2.35993 -223.30604 625.64306
5795.0000 -229.23149 -221.55852 7.67297 2.41867 -222.10881 665.74311
5800.0000 -228.74542 -220.66744 8.07798 2.45055 -221.45920 662.84639
5805.0000 -231.00193 -222.94996 8.05197 2.40705 -222.34572 663.47477
5810.0000 -231.37606 -223.47151 7.90455 2.36913 -223.11854 643.56996
5815.0000 -230.11800 -222.21630 7.90170 2.41351 -222.21414 678.96877
5820.0000 -229.15276 -221.60865 7.54411 2.41419 -222.20015 640.75077
5825.0000 -231.95689 -225.09324 6.86364 2.37062 -223.08814 630.69279
5830.0000 -231.74057 -225.72867 6.01190 2.26056 -225.33099 561.41188
5835.0000 -231.65029 -224.88460 6.76569 2.26100 -225.32203 548.47181
5840.0000 -232.11661 -224.74622 7.37039 2.30808 -224.36261 578.69568
5845.0000 -232.15738 -225.30838 6.84900 2.27127 -225.11284 556.94407
5850.0000 -231.55134 -224.04590 7.50544 2.28986 -224.73392 577.03169
5855.0000 -230.81701 -223.07748 7.73953 2.34113 -223.68913 615.80409
5860.0000 -231.41125 -223.87957 7.53168 2.32113 -224.09664 631.78145
5865.0000 -231.24878 -224.21349 7.03528 2.29631 -224.60248 573.90386
5870.0000 -230.23044 -223.33051 6.89993 2.36106 -223.28290 612.21244
5875.0000 -232.23725 -224.28487 7.95238 2.37746 -222.94869 611.88876
5880.0000 -230.56197 -223.73138 6.83059 2.34869 -223.53502 603.84968
5885.0000 -230.39678 -223.18849 7.20829 2.34271 -223.65685 604.72493
5890.0000 -230.57931 -223.67764 6.90167 2.33851 -223.74243 606.82909
5895.0000 -230.32872 -222.50780 7.82092 2.38891 -222.71532 638.23157
5900.0000 -231.05158 -223.77142 7.28017 2.36370 -223.22920 633.57025
5905.0000 -230.62288 -223.44599 7.17689 2.33355 -223.84368 610.45062
5910.0000 -231.80877 -224.64189 7.16687 2.31208 -224.28115 587.52686
5915.0000 -231.24637 -223.28737 7.95901 2.34722 -223.56497 626.28410
5920.0000 -231.66100 -223.61681 8.04419 2.32676 -223.98187 600.91220
5925.0000 -231.43095 -223.82833 7.60263 2.32697 -223.97765 610.53260
5930.0000 -232.05476 -224.96902 7.08574 2.32387 -224.04089 631.00388
5935.0000 -232.31732 -225.04459 7.27273 2.25860 -225.37098 621.02955
5940.0000 -232.18553 -224.24417 7.94136 2.27187 -225.10053 597.49370
5945.0000 -230.89857 -224.15192 6.74666 2.31350 -224.25213 605.33558
5950.0000 -232.06861 -224.64462 7.42399 2.27979 -224.93914 567.39050
5955.0000 -231.67292 -224.57315 7.09978 2.28520 -224.82888 580.40589
5960.0000 -232.11076 -225.00310 7.10766 2.27725 -224.99098 573.71748
5965.0000 -231.07776 -224.82156 6.25620 2.28144 -224.90562 570.83122
5970.0000 -229.98390 -223.43721 6.54670 2.32899 -223.93656 589.43086
5975.0000 -230.50026 -224.26720 6.23306 2.35720 -223.36158 594.61710
5980.0000 -231.63340 -224.40136 7.23204 2.31905 -224.13907 584.22275
5985.0000 -231.55218 -225.31924 6.23294 2.30431 -224.43943 583.48971
5990.0000 -231.20011 -224.10137 7.09874 2.30847 -224.35469 595.52949
5995.0000 -232.21245 -225.11508 7.09737 2.29500 -224.62914 574.93195
6000.0000 -232.13590 -225.04130 7.09459 2.27898 -224.95571 561.49147
FREEZING PROCESS: loop number 25 T-loop= 570.00000000000000
main_MD> interactions number 25 at Temperature= 570.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.49187 -1.14088 3.66405
force_rgl> df(natom) -1.26376 1.12066 0.15397
6005.0000 -231.99939 -225.05075 6.94863 2.30263 -224.47368 593.90032
6010.0000 -233.92481 -226.07292 7.85189 2.24632 -225.62121 589.88959
6015.0000 -234.19069 -227.46969 6.72100 2.18748 -226.82044 572.95972
6020.0000 -233.71732 -227.17776 6.53955 2.16657 -227.24659 560.49858
6025.0000 -232.36754 -225.76972 6.59782 2.23293 -225.89425 579.96024
6030.0000 -231.59392 -225.03731 6.55661 2.27538 -225.02914 600.24153
6035.0000 -229.23245 -221.47125 7.76120 2.39188 -222.65480 650.69349
6040.0000 -231.20117 -223.51964 7.68154 2.42471 -221.98575 673.91875
6045.0000 -231.98382 -224.49038 7.49343 2.29961 -224.53519 612.52465
6050.0000 -231.32681 -225.03235 6.29445 2.30434 -224.43891 612.23528
6055.0000 -231.50691 -224.13672 7.37020 2.29985 -224.53043 600.79469
6060.0000 -232.93349 -226.76734 6.16614 2.22635 -226.02822 552.09784
6065.0000 -232.76074 -225.72378 7.03697 2.19859 -226.59401 542.09426
6070.0000 -232.24198 -225.45457 6.78741 2.24980 -225.55035 583.41185
6075.0000 -231.41344 -225.16022 6.25322 2.28537 -224.82549 590.35484
6080.0000 -232.20676 -226.05922 6.14754 2.22534 -226.04893 537.59352
6085.0000 -231.21157 -224.29290 6.91868 2.29733 -224.58179 564.13061
6090.0000 -230.98524 -225.68854 5.29670 2.29600 -224.60875 565.20768
6095.0000 -232.27878 -223.82079 8.45800 2.31409 -224.24023 610.32817
6100.0000 -232.46760 -226.85128 5.61632 2.26372 -225.26664 557.41407
6105.0000 -231.71808 -225.18454 6.53353 2.21768 -226.20492 558.14808
6110.0000 -232.53782 -224.23589 8.30193 2.26239 -225.29374 606.53136
6115.0000 -233.04791 -225.79948 7.24843 2.26475 -225.24576 596.88439
6120.0000 -233.64666 -226.96103 6.68564 2.22061 -226.14515 563.53947
6125.0000 -232.90551 -225.93212 6.97339 2.17500 -227.07465 535.99539
6130.0000 -232.59921 -226.70520 5.89401 2.21554 -226.24859 553.95007
6135.0000 -233.61907 -227.00137 6.61770 2.19300 -226.70790 547.39830
6140.0000 -233.67634 -226.93657 6.73977 2.19083 -226.75210 544.56506
6145.0000 -232.82547 -226.31890 6.50657 2.21225 -226.31570 551.01491
6150.0000 -232.53243 -225.33956 7.19287 2.23804 -225.78999 564.59951
6155.0000 -231.27373 -224.84595 6.42779 2.25618 -225.42036 559.88135
6160.0000 -230.16354 -223.47500 6.68854 2.31139 -224.29522 603.94272
6165.0000 -232.22047 -224.62039 7.60009 2.32339 -224.05071 617.70189
6170.0000 -232.89663 -225.79361 7.10302 2.24981 -225.55023 572.37086
6175.0000 -233.17972 -225.48738 7.69235 2.27073 -225.12379 590.04066
6180.0000 -230.97521 -224.48372 6.49149 2.29491 -224.63100 602.50598
6185.0000 -232.05990 -225.64421 6.41569 2.26783 -225.18284 577.65925
6190.0000 -233.34244 -227.53757 5.80487 2.18902 -226.78900 509.50714
6195.0000 -233.16465 -227.31719 5.84746 2.17774 -227.01890 511.19522
6200.0000 -232.51683 -225.96149 6.55534 2.22594 -226.03672 549.30747
6205.0000 -232.83165 -225.92900 6.90265 2.18465 -226.87816 514.53183
6210.0000 -233.27879 -227.22954 6.04926 2.20467 -226.47001 523.65447
6215.0000 -232.72196 -225.80885 6.91311 2.21210 -226.31875 553.05395
6220.0000 -232.24854 -225.94500 6.30354 2.21039 -226.35358 553.05465
6225.0000 -231.11184 -225.37591 5.73593 2.25766 -225.39026 574.12315
6230.0000 -232.26230 -225.24034 7.02195 2.24401 -225.66844 559.27567
6235.0000 -231.91866 -224.86542 7.05324 2.24741 -225.59908 568.54478
6240.0000 -231.61359 -226.02558 5.58801 2.28260 -224.88185 581.35383
6245.0000 -232.57747 -225.96875 6.60873 2.22032 -226.15119 540.34853
6250.0000 -232.21531 -225.14286 7.07244 2.22830 -225.98860 561.21011
FREEZING PROCESS: loop number 26 T-loop= 545.00000000000000
main_MD> interactions number 26 at Temperature= 545.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48787 1.24557 0.24856
force_rgl> df(natom) 1.64267 -0.09835 -0.82726
6255.0000 -233.29851 -226.89628 6.40223 2.22204 -226.11620 536.91511
6260.0000 -233.08131 -226.29679 6.78452 2.20353 -226.49335 553.11404
6265.0000 -232.72823 -226.45268 6.27555 2.21569 -226.24543 551.44015
6270.0000 -233.02752 -226.55473 6.47279 2.19507 -226.66580 547.42158
6275.0000 -233.03088 -225.18503 7.84585 2.23860 -225.77868 589.21597
6280.0000 -234.28598 -226.82740 7.45858 2.21406 -226.27867 580.51883
6285.0000 -233.63253 -226.75383 6.87870 2.18143 -226.94369 550.88495
6290.0000 -234.39329 -227.31369 7.07960 2.15932 -227.39437 533.63403
6295.0000 -234.62628 -228.48806 6.13821 2.11580 -228.28129 507.32930
6300.0000 -233.22606 -226.46353 6.76253 2.16245 -227.33057 511.55887
6305.0000 -232.21775 -225.25161 6.96615 2.25764 -225.39068 602.56050
6310.0000 -232.12693 -225.49302 6.63390 2.25572 -225.42971 569.90263
6315.0000 -233.15733 -226.57043 6.58690 2.23921 -225.76612 548.06080
6320.0000 -232.83475 -226.54275 6.29200 2.22131 -226.13099 542.54201
6325.0000 -233.10968 -226.20455 6.90513 2.19954 -226.57462 553.19858
6330.0000 -233.29183 -227.44633 5.84549 2.15444 -227.49378 503.99053
6335.0000 -233.21867 -226.43976 6.77891 2.15110 -227.56190 494.59289
6340.0000 -232.63378 -226.27672 6.35706 2.21004 -226.36065 543.06007
6345.0000 -233.82588 -227.29602 6.52986 2.19097 -226.74932 537.88385
6350.0000 -233.54340 -227.45342 6.08998 2.15752 -227.43097 519.12455
6355.0000 -235.35159 -228.06854 7.28305 2.14803 -227.62432 514.30048
6360.0000 -234.06480 -227.85055 6.21425 2.16133 -227.35328 533.09320
6365.0000 -233.78079 -227.18573 6.59506 2.15327 -227.51767 507.68790
6370.0000 -234.02245 -227.95317 6.06929 2.14606 -227.66455 498.76729
6375.0000 -232.23835 -226.78903 5.44932 2.17735 -227.02692 524.17405
6380.0000 -233.75286 -226.84116 6.91170 2.20478 -226.46781 539.49102
6385.0000 -232.41685 -226.24675 6.17010 2.21391 -226.28184 532.74759
6390.0000 -232.47028 -225.73994 6.73034 2.25112 -225.52341 571.18640
6395.0000 -232.37697 -224.92719 7.44977 2.27653 -225.00562 593.17545
6400.0000 -232.11760 -224.99527 7.12233 2.27508 -225.03522 574.94065
6405.0000 -232.38398 -225.35310 7.03088 2.20381 -226.48767 535.99712
6410.0000 -231.92682 -224.95273 6.97409 2.26033 -225.33582 575.22922
6415.0000 -231.66023 -225.25127 6.40897 2.27729 -224.99013 569.83145
6420.0000 -231.78867 -225.97752 5.81115 2.24200 -225.70943 548.05008
6425.0000 -231.22770 -224.74293 6.48477 2.25334 -225.47830 537.37938
6430.0000 -231.84875 -224.41183 7.43692 2.28406 -224.85221 573.95828
6435.0000 -232.98505 -225.72784 7.25721 2.25684 -225.40685 590.39540
6440.0000 -231.43548 -224.90917 6.52631 2.23836 -225.78342 551.08763
6445.0000 -231.73444 -225.37971 6.35473 2.25310 -225.48317 563.58295
6450.0000 -232.43514 -225.45748 6.97766 2.27390 -225.05921 579.39680
6455.0000 -232.14469 -226.24236 5.90233 2.26241 -225.29336 562.43837
6460.0000 -232.01265 -225.34601 6.66665 2.22903 -225.97369 544.08682
6465.0000 -232.88435 -226.44193 6.44242 2.24209 -225.70757 556.91758
6470.0000 -231.29026 -224.87778 6.41248 2.24451 -225.65823 539.47248
6475.0000 -232.86841 -227.19106 5.67736 2.22680 -226.01916 539.11840
6480.0000 -232.85241 -226.20899 6.64342 2.19524 -226.66233 528.97751
6485.0000 -232.94185 -225.83863 7.10321 2.24302 -225.68849 554.70639
6490.0000 -232.00487 -226.22804 5.77682 2.26859 -225.16751 578.33238
6495.0000 -232.77320 -226.88344 5.88976 2.20347 -226.49458 534.43816
6500.0000 -232.40990 -226.63877 5.77113 2.20877 -226.38661 534.92775
FREEZING PROCESS: loop number 27 T-loop= 520.00000000000000
main_MD> interactions number 27 at Temperature= 520.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.37789 -1.50563 0.45211
force_rgl> df(natom) -0.69851 1.36027 3.38013
6505.0000 -232.18108 -226.19100 5.99008 2.19453 -226.67671 526.77739
6510.0000 -232.53082 -226.00898 6.52184 2.23159 -225.92150 556.41665
6515.0000 -232.93487 -227.21064 5.72423 2.20547 -226.45377 533.47878
6520.0000 -232.02139 -226.45359 5.56780 2.21037 -226.35395 533.39466
6525.0000 -232.75125 -226.87533 5.87592 2.21733 -226.21200 541.03616
6530.0000 -232.86900 -226.95217 5.91683 2.17222 -227.13139 509.02199
6535.0000 -233.01638 -226.53123 6.48514 2.17122 -227.15171 516.11046
6540.0000 -233.15592 -227.92815 5.22777 2.16819 -227.21352 509.59105
6545.0000 -233.14661 -227.06490 6.08170 2.16588 -227.26052 490.05276
6550.0000 -232.20923 -226.15529 6.05393 2.21939 -226.17013 521.86844
6555.0000 -232.43273 -226.68398 5.74874 2.20548 -226.45349 513.55753
6560.0000 -231.63837 -225.91812 5.72025 2.21315 -226.29734 518.17498
6565.0000 -233.28889 -227.04151 6.24737 2.23739 -225.80334 548.15300
6570.0000 -234.18707 -226.36436 7.82271 2.19473 -226.67259 530.12754
6575.0000 -233.27774 -226.50243 6.77531 2.17786 -227.01640 533.09202
6580.0000 -233.70333 -227.72618 5.97715 2.14942 -227.59616 503.72979
6585.0000 -234.20048 -227.69230 6.50817 2.19204 -226.72758 515.55844
6590.0000 -232.40720 -226.55595 5.85125 2.16149 -227.35003 508.80624
6595.0000 -233.63181 -227.61510 6.01671 2.17163 -227.14341 507.75116
6600.0000 -234.03349 -228.09692 5.93657 2.15231 -227.53712 508.85729
6605.0000 -233.21013 -227.06520 6.14493 2.14904 -227.60389 519.73915
6610.0000 -233.32618 -227.87607 5.45012 2.15866 -227.40777 521.13758
6615.0000 -232.74760 -227.24502 5.50258 2.12634 -228.06639 479.50173
6620.0000 -231.85390 -226.11273 5.74116 2.18897 -226.79015 543.40278
6625.0000 -233.32282 -227.24809 6.07473 2.20863 -226.38939 558.86884
6630.0000 -233.64449 -227.63903 6.00546 2.15320 -227.51900 508.17058
6635.0000 -233.05958 -227.17222 5.88736 2.14037 -227.78046 494.30532
6640.0000 -233.35596 -227.74754 5.60843 2.17621 -227.05005 512.77505
6645.0000 -233.73505 -228.07408 5.66097 2.13047 -227.98225 482.79946
6650.0000 -234.35372 -228.64031 5.71341 2.15638 -227.45417 499.66274
6655.0000 -233.32319 -226.47747 6.84572 2.16732 -227.23128 517.82927
6660.0000 -233.87770 -227.49764 6.38006 2.16965 -227.18369 533.19553
6665.0000 -233.33833 -227.57271 5.76562 2.14762 -227.63268 513.45619
6670.0000 -234.02442 -229.07463 4.94979 2.09542 -228.69651 486.37860
6675.0000 -234.13660 -228.32274 5.81386 2.09493 -228.70648 494.40463
6680.0000 -233.03511 -227.88192 5.15319 2.10202 -228.56210 495.73291
6685.0000 -233.81377 -227.83447 5.97929 2.13427 -227.90476 521.01741
6690.0000 -233.05348 -226.60457 6.44892 2.14744 -227.63642 536.74983
6695.0000 -232.97639 -227.09749 5.87889 2.18049 -226.96296 547.85249
6700.0000 -233.63864 -226.88714 6.75150 2.18002 -226.97247 541.64066
6705.0000 -233.40445 -227.15707 6.24738 2.19706 -226.62529 536.03027
6710.0000 -232.49404 -227.23349 5.26055 2.16158 -227.34830 498.21217
6715.0000 -233.44499 -226.87444 6.57055 2.15768 -227.42776 503.31890
6720.0000 -234.03038 -227.43657 6.59381 2.19433 -226.68087 543.51495
6725.0000 -232.84680 -225.97680 6.87000 2.21902 -226.17766 580.36608
6730.0000 -233.45588 -227.13078 6.32510 2.19621 -226.64242 559.11935
6735.0000 -233.92101 -227.55911 6.36190 2.16232 -227.33313 521.60137
6740.0000 -233.63159 -227.21969 6.41190 2.18117 -226.94892 535.92668
6745.0000 -234.06766 -226.85502 7.21264 2.17751 -227.02368 528.77940
6750.0000 -233.73393 -227.57609 6.15784 2.14520 -227.68206 505.59469
FREEZING PROCESS: loop number 28 T-loop= 495.00000000000000
main_MD> interactions number 28 at Temperature= 495.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54614 -1.01642 0.65634
force_rgl> df(natom) -2.00049 4.99879 2.80806
6755.0000 -234.15943 -228.46117 5.69826 2.12808 -228.03092 482.63299
6760.0000 -233.49754 -228.43249 5.06506 2.11329 -228.33228 474.57031
6765.0000 -234.54523 -228.64145 5.90379 2.09821 -228.63972 464.21613
6770.0000 -233.76522 -227.20436 6.56086 2.14684 -227.64855 497.17631
6775.0000 -233.14101 -227.53110 5.60991 2.15148 -227.55404 492.73798
6780.0000 -233.23585 -227.11910 6.11675 2.15186 -227.54640 481.62293
6785.0000 -232.48491 -226.52866 5.95625 2.19007 -226.76773 507.43165
6790.0000 -232.03295 -226.96574 5.06721 2.18634 -226.84375 494.00106
6795.0000 -233.15803 -226.75801 6.40002 2.19112 -226.74621 495.27403
6800.0000 -231.98817 -226.76313 5.22504 2.19430 -226.68137 497.41363
6805.0000 -232.92443 -226.57236 6.35207 2.20732 -226.41618 531.55059
6810.0000 -233.10948 -226.76570 6.34378 2.20178 -226.52893 514.65342
6815.0000 -233.20013 -226.94627 6.25386 2.20792 -226.40377 536.29841
6820.0000 -233.61688 -227.62261 5.99427 2.17109 -227.15436 514.55895
6825.0000 -233.90216 -227.34238 6.55979 2.15191 -227.54522 520.93315
6830.0000 -234.91118 -228.94407 5.96710 2.11436 -228.31059 499.51882
6835.0000 -235.04248 -229.18453 5.85795 2.07990 -229.01289 472.90395
6840.0000 -235.23161 -229.53944 5.69217 2.06381 -229.34078 470.37029
6845.0000 -234.85114 -228.63737 6.21377 2.11511 -228.29537 509.53662
6850.0000 -234.95773 -228.57566 6.38206 2.10378 -228.52627 493.42190
6855.0000 -233.91568 -228.12989 5.78578 2.11280 -228.34229 512.56269
6860.0000 -234.45982 -228.93744 5.52237 2.09306 -228.74459 494.57704
6865.0000 -233.85597 -228.58785 5.26812 2.08764 -228.85516 485.89822
6870.0000 -233.77772 -228.09992 5.67780 2.12002 -228.19531 504.27014
6875.0000 -234.31530 -228.39409 5.92121 2.11411 -228.31568 484.18970
6880.0000 -234.22193 -227.91142 6.31051 2.13479 -227.89429 500.33603
6885.0000 -234.88528 -228.10620 6.77908 2.12123 -228.17064 513.65347
6890.0000 -234.86636 -228.53692 6.32944 2.11905 -228.21496 503.73361
6895.0000 -233.20923 -227.51436 5.69487 2.12940 -228.00410 499.15271
6900.0000 -234.46232 -228.16830 6.29401 2.13181 -227.95497 507.56945
6905.0000 -236.06578 -230.37006 5.69571 2.05003 -229.62152 466.22074
6910.0000 -235.44315 -230.07377 5.36938 2.02432 -230.14551 445.27410
6915.0000 -235.51360 -230.32740 5.18619 2.00849 -230.46814 439.49782
6920.0000 -234.25756 -228.71079 5.54678 2.07271 -229.15940 483.69919
6925.0000 -234.92606 -229.21600 5.71006 2.09979 -228.60739 497.90228
6930.0000 -233.59705 -227.53507 6.06198 2.08336 -228.94241 487.73500
6935.0000 -233.93624 -227.97073 5.96551 2.13791 -227.83063 528.58432
6940.0000 -234.96980 -229.34974 5.62006 2.10366 -228.52858 502.58711
6945.0000 -235.17320 -229.49108 5.68212 2.06462 -229.32431 478.71438
6950.0000 -233.42682 -227.90870 5.51812 2.10857 -228.42848 499.69085
6955.0000 -232.95042 -227.20369 5.74673 2.13733 -227.84252 481.54470
6960.0000 -233.57636 -227.90715 5.66921 2.16307 -227.31792 503.98936
6965.0000 -233.85444 -228.09922 5.75523 2.12558 -228.08186 478.44727
6970.0000 -233.62084 -228.61212 5.00872 2.11198 -228.35909 465.60176
6975.0000 -233.89947 -228.24752 5.65195 2.11137 -228.37152 461.63680
6980.0000 -233.57537 -228.30305 5.27232 2.12304 -228.13374 469.22328
6985.0000 -234.96987 -230.14532 4.82455 2.05240 -229.57320 434.08460
6990.0000 -233.99573 -228.38707 5.60866 2.07440 -229.12502 444.75440
6995.0000 -232.97868 -227.63467 5.34400 2.11265 -228.34539 474.40755
7000.0000 -234.53014 -228.23492 6.29522 2.13721 -227.84493 494.62758
FREEZING PROCESS: loop number 29 T-loop= 470.00000000000000
main_MD> interactions number 29 at Temperature= 470.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99766 -0.42915 0.77869
force_rgl> df(natom) -1.23870 1.34898 -2.98483
7005.0000 -234.12415 -228.11229 6.01186 2.11608 -228.27557 489.52344
7010.0000 -235.54761 -230.21862 5.32900 2.05563 -229.50739 472.36216
7015.0000 -234.14715 -228.98566 5.16150 2.03464 -229.93525 460.90645
7020.0000 -235.90230 -230.19291 5.70939 2.05393 -229.54204 483.10160
7025.0000 -236.84011 -231.43412 5.40599 2.02459 -230.14012 478.77888
7030.0000 -236.21268 -231.01414 5.19853 1.96691 -231.31544 436.08610
7035.0000 -235.64729 -230.34465 5.30264 2.00519 -230.53532 465.13767
7040.0000 -236.45651 -230.32850 6.12800 2.03250 -229.97876 486.68838
7045.0000 -235.91934 -230.47150 5.44785 2.01766 -230.28122 482.09945
7050.0000 -235.99271 -229.11336 6.87936 2.04599 -229.70387 495.70108
7055.0000 -236.81141 -230.56457 6.24685 2.02484 -230.13499 484.61774
7060.0000 -236.35132 -230.98650 5.36483 1.98288 -230.99013 447.66972
7065.0000 -235.87881 -229.88958 5.98923 2.02729 -230.08506 480.33426
7070.0000 -236.03165 -229.77602 6.25564 2.03738 -229.87944 492.87707
7075.0000 -235.84373 -230.64014 5.20359 2.05524 -229.51539 502.45863
7080.0000 -235.88656 -230.41861 5.46795 1.99752 -230.69160 454.47630
7085.0000 -235.37067 -230.75303 4.61764 1.99625 -230.71755 462.17137
7090.0000 -236.22174 -230.52122 5.70052 1.98564 -230.93382 451.72839
7095.0000 -236.10327 -230.53708 5.56619 2.01912 -230.25144 473.43997
7100.0000 -236.79994 -230.85265 5.94729 2.00865 -230.46486 468.51805
7105.0000 -236.20638 -230.58230 5.62408 2.00556 -230.52791 469.04362
7110.0000 -235.96441 -229.76535 6.19907 2.03784 -229.86994 489.20577
7115.0000 -235.88793 -230.56845 5.31948 2.02848 -230.06065 483.97685
7120.0000 -235.46249 -229.31098 6.15152 2.03573 -229.91297 492.28682
7125.0000 -235.98174 -230.31451 5.66723 2.03940 -229.83824 495.61286
7130.0000 -235.50866 -230.03710 5.47155 2.01961 -230.24142 475.84320
7135.0000 -236.22828 -231.42600 4.80227 2.01395 -230.35683 474.52616
7140.0000 -235.95332 -230.72814 5.22518 1.96831 -231.28696 441.05277
7145.0000 -236.09086 -230.47899 5.61187 1.98447 -230.95755 455.56974
7150.0000 -236.03789 -230.76479 5.27310 1.99428 -230.75770 463.90132
7155.0000 -236.09490 -230.76280 5.33210 1.98594 -230.92779 452.07085
7160.0000 -235.73356 -229.53071 6.20285 2.00708 -230.49679 464.87639
7165.0000 -236.65767 -231.14438 5.51329 2.01590 -230.31706 479.98220
7170.0000 -236.17660 -230.83870 5.33790 1.96300 -231.39515 438.03893
7175.0000 -235.20487 -229.64071 5.56416 2.00342 -230.57139 458.46696
7180.0000 -235.46630 -229.99815 5.46815 2.02984 -230.03299 477.00805
7185.0000 -236.31953 -230.51207 5.80746 2.01438 -230.34809 472.79217
7190.0000 -235.32086 -230.16629 5.15458 2.01972 -230.23920 468.49091
7195.0000 -236.05481 -230.50072 5.55409 2.02512 -230.12926 475.39312
7200.0000 -236.08894 -230.17964 5.90930 1.99099 -230.82486 453.95602
7205.0000 -236.25444 -229.87522 6.37922 2.03716 -229.88382 489.15509
7210.0000 -235.70365 -230.47764 5.22601 2.02780 -230.07466 477.78918
7215.0000 -236.07825 -230.21259 5.86566 2.01612 -230.31269 475.18112
7220.0000 -236.27981 -230.40027 5.87954 2.03187 -229.99167 479.77042
7225.0000 -235.42597 -230.80838 4.61759 2.01997 -230.23412 472.44504
7230.0000 -235.80103 -231.21476 4.58626 1.96992 -231.25418 443.17689
7235.0000 -235.86874 -231.16488 4.70386 1.96797 -231.29397 434.93975
7240.0000 -235.91486 -229.91243 6.00243 2.02253 -230.18197 482.44708
7245.0000 -235.49831 -229.86877 5.62954 2.05365 -229.54774 499.62413
7250.0000 -235.76316 -229.70064 6.06252 2.05503 -229.51958 499.11293
FREEZING PROCESS: loop number 30 T-loop= 445.00000000000000
main_MD> interactions number 30 at Temperature= 445.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03849 0.24826 -0.45619
force_rgl> df(natom) -5.74671 -2.64336 3.41606
7255.0000 -236.22342 -230.25941 5.96401 2.03818 -229.86309 492.96349
7260.0000 -235.86931 -231.01699 4.85232 2.01361 -230.36388 473.12092
7265.0000 -236.52447 -231.93715 4.58732 1.97511 -231.14840 444.31300
7270.0000 -236.93349 -232.34104 4.59245 1.93339 -231.99871 410.19325
7275.0000 -236.33747 -231.94130 4.39617 1.90282 -232.62161 388.58739
7280.0000 -236.60744 -231.66511 4.94233 1.94389 -231.78468 418.92328
7285.0000 -236.83105 -231.38654 5.44450 1.94935 -231.67335 422.04797
7290.0000 -236.77680 -232.09200 4.68481 1.95895 -231.47765 428.08244
7295.0000 -236.80253 -231.72159 5.08094 1.96126 -231.43061 427.38600
7300.0000 -236.13134 -232.25676 3.87458 1.94568 -231.74816 418.68964
7305.0000 -236.96253 -231.82059 5.14194 1.93136 -232.04000 409.56981
7310.0000 -236.14426 -231.37510 4.76916 1.95666 -231.52449 429.89580
7315.0000 -237.01691 -231.62743 5.38948 1.96027 -231.45075 430.90361
7320.0000 -236.23161 -231.50251 4.72910 1.95397 -231.57926 433.66682
7325.0000 -236.32976 -230.45815 5.87161 1.97665 -231.11692 449.50246
7330.0000 -236.69750 -231.55768 5.13982 1.98469 -230.95319 450.28730
7335.0000 -236.04851 -230.17850 5.87001 2.01143 -230.40821 459.51905
7340.0000 -236.25401 -231.57642 4.67759 1.97846 -231.08013 436.43446
7345.0000 -235.37493 -229.78143 5.59350 1.98732 -230.89950 445.37490
7350.0000 -236.10600 -230.93837 5.16763 2.02134 -230.20627 474.93549
7355.0000 -236.32357 -230.86865 5.45492 1.97791 -231.09127 438.13505
7360.0000 -236.25738 -231.45377 4.80360 1.97240 -231.20365 432.58958
7365.0000 -236.74915 -231.22026 5.52889 1.98923 -230.86054 444.59342
7370.0000 -236.29087 -230.58212 5.70875 1.98082 -231.03194 441.88977
7375.0000 -236.11402 -231.02704 5.08698 1.99373 -230.76885 450.78606
7380.0000 -236.38858 -231.22128 5.16729 1.95684 -231.52077 429.12554
7385.0000 -236.11544 -229.64586 6.46958 2.00215 -230.59738 463.41545
7390.0000 -236.86328 -231.83068 5.03260 1.99047 -230.83541 454.14534
7395.0000 -236.89236 -232.06813 4.82423 1.91191 -232.43630 401.90215
7400.0000 -236.32697 -231.05845 5.26853 1.96542 -231.34580 433.55521
7405.0000 -236.75565 -231.62458 5.13107 1.95363 -231.58605 426.82284
7410.0000 -236.15967 -231.05393 5.10574 1.98195 -231.00903 451.60117
7415.0000 -236.97820 -232.38902 4.58917 1.94605 -231.74067 424.23277
7420.0000 -236.35618 -230.75026 5.60592 1.93948 -231.87457 418.63074
7425.0000 -235.86621 -230.49481 5.37139 2.00373 -230.56523 461.94657
7430.0000 -235.41324 -230.83264 4.58060 2.01026 -230.43212 431.78684
7435.0000 -235.62528 -230.55779 5.06750 2.01046 -230.42795 436.85359
7440.0000 -236.77930 -230.93258 5.84672 2.00094 -230.62207 438.74789
7445.0000 -236.44410 -231.01369 5.43042 1.99036 -230.83758 448.08829
7450.0000 -236.15135 -230.78666 5.36469 1.99501 -230.74288 456.83667
7455.0000 -236.33875 -230.65649 5.68225 2.01048 -230.42750 468.29838
7460.0000 -235.81026 -230.63550 5.17476 1.99570 -230.72883 455.93581
7465.0000 -235.92315 -231.29479 4.62837 1.97362 -231.17878 438.24138
7470.0000 -236.55901 -231.33459 5.22442 1.96245 -231.40637 429.25906
7475.0000 -236.71364 -231.05521 5.65843 1.96139 -231.42805 424.50097
7480.0000 -236.74280 -230.99660 5.74620 2.00632 -230.51243 464.52925
7485.0000 -237.25547 -232.30652 4.94895 1.94233 -231.81653 415.32801
7490.0000 -237.18611 -231.96315 5.22296 1.91648 -232.34316 395.95345
7495.0000 -236.64794 -231.97780 4.67015 1.92959 -232.07606 410.41065
7500.0000 -236.31111 -231.01039 5.30072 1.97034 -231.24551 435.34724
FREEZING PROCESS: loop number 31 T-loop= 420.00000000000000
main_MD> interactions number 31 at Temperature= 420.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40080 -2.35381 0.06501
force_rgl> df(natom) 0.36433 -2.63134 -0.80389
7505.0000 -236.69271 -231.95169 4.74103 1.95914 -231.47379 435.39082
7510.0000 -236.91013 -231.57847 5.33165 1.93761 -231.91254 415.72821
7515.0000 -235.98936 -230.73811 5.25125 1.97236 -231.20436 444.27604
7520.0000 -236.72557 -231.96432 4.76125 1.97053 -231.24171 437.09588
7525.0000 -236.64068 -231.86424 4.77645 1.95871 -231.48256 434.71182
7530.0000 -236.84243 -232.09185 4.75057 1.92026 -232.26623 402.70026
7535.0000 -236.72751 -231.89640 4.83111 1.93276 -232.01154 410.69106
7540.0000 -237.07753 -232.20415 4.87338 1.93933 -231.87753 418.59998
7545.0000 -236.64272 -231.46263 5.18009 1.92481 -232.17345 400.86991
7550.0000 -236.53839 -230.98848 5.54991 1.98295 -230.98866 445.77045
7555.0000 -236.45996 -231.60596 4.85400 1.98088 -231.03081 445.28614
7560.0000 -237.73544 -232.09509 5.64034 1.90932 -232.48909 398.21329
7565.0000 -237.08315 -232.11322 4.96994 1.92669 -232.13507 409.49520
7570.0000 -237.29830 -232.59118 4.70712 1.90598 -232.55731 392.01685
7575.0000 -237.57681 -232.76131 4.81550 1.91076 -232.45979 393.72106
7580.0000 -237.26580 -232.14297 5.12283 1.91770 -232.31845 399.87558
7585.0000 -236.41021 -231.40130 5.00892 1.92408 -232.18835 407.92470
7590.0000 -236.10844 -231.16974 4.93870 1.97666 -231.11690 441.55442
7595.0000 -236.28577 -231.22435 5.06142 1.98042 -231.04017 443.78612
7600.0000 -236.30388 -231.58418 4.71969 1.94836 -231.69347 424.98132
7605.0000 -236.30864 -231.00368 5.30496 1.96552 -231.34382 438.27246
7610.0000 -236.40741 -231.51573 4.89167 1.99380 -230.76756 456.55525
7615.0000 -237.13409 -231.92904 5.20505 1.95045 -231.65093 429.31914
7620.0000 -236.37413 -232.04433 4.32980 1.92822 -232.10396 405.27723
7625.0000 -237.42524 -232.41267 5.01257 1.92034 -232.26461 401.39232
7630.0000 -237.09986 -231.96591 5.13395 1.92201 -232.23062 407.01027
7635.0000 -236.84984 -231.50556 5.34428 1.92700 -232.12895 410.18676
7640.0000 -237.10785 -232.19236 4.91549 1.94328 -231.79707 414.06419
7645.0000 -236.39218 -231.33814 5.05404 1.95296 -231.59979 426.11126
7650.0000 -235.86124 -230.95228 4.90896 1.99991 -230.64298 458.35235
7655.0000 -236.72800 -231.22476 5.50324 1.96518 -231.35085 436.03952
7660.0000 -236.20100 -230.40832 5.79268 1.97009 -231.25079 434.09363
7665.0000 -235.96887 -231.08736 4.88150 2.00940 -230.44954 472.60577
7670.0000 -236.87000 -232.17074 4.69926 1.95196 -231.62020 421.80412
7675.0000 -236.55593 -231.76968 4.78625 1.92639 -232.14138 408.58393
7680.0000 -236.31702 -231.33067 4.98635 1.96520 -231.35032 435.72407
7685.0000 -236.32180 -231.28798 5.03382 1.96264 -231.40259 435.92457
7690.0000 -236.61198 -231.79002 4.82196 1.95325 -231.59392 431.53647
7695.0000 -236.40651 -232.64078 3.76573 1.93123 -232.04257 412.46711
7700.0000 -236.18361 -231.73045 4.45316 1.91631 -232.34680 398.97581
7705.0000 -236.33490 -231.02711 5.30779 1.94560 -231.74971 419.20744
7710.0000 -236.21743 -231.10320 5.11422 1.94905 -231.67942 421.54165
7715.0000 -237.12106 -231.60649 5.51457 1.98288 -230.99002 451.14269
7720.0000 -236.48790 -230.97620 5.51169 1.98526 -230.94151 450.98405
7725.0000 -236.82362 -232.64134 4.18228 1.92689 -232.13108 408.13979
7730.0000 -237.10147 -232.36059 4.74088 1.88967 -232.88954 376.97473
7735.0000 -236.83958 -232.14416 4.69542 1.91185 -232.43761 396.47423
7740.0000 -236.25312 -231.70167 4.55145 1.92829 -232.10258 405.86830
7745.0000 -236.86452 -231.91648 4.94804 1.94936 -231.67322 422.01678
7750.0000 -237.47168 -232.10656 5.36512 1.91950 -232.28176 402.00431
FREEZING PROCESS: loop number 32 T-loop= 395.00000000000000
main_MD> interactions number 32 at Temperature= 395.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70912 -0.07221 -1.04028
force_rgl> df(natom) -0.74473 -0.91811 -0.12828
7755.0000 -237.29805 -232.45261 4.84544 1.91571 -232.35886 402.64724
7760.0000 -237.67014 -233.55921 4.11093 1.88056 -233.07534 371.89756
7765.0000 -236.72886 -231.83086 4.89801 1.88088 -233.06884 369.19674
7770.0000 -236.75989 -232.11033 4.64955 1.91298 -232.41461 392.06853
7775.0000 -236.60973 -232.35716 4.25257 1.91895 -232.29300 398.30861
7780.0000 -236.74637 -232.42589 4.32048 1.91393 -232.39517 397.15740
7785.0000 -236.60361 -232.69277 3.91084 1.91432 -232.38718 397.02302
7790.0000 -236.94687 -232.17201 4.77486 1.92931 -232.08171 406.80809
7795.0000 -236.96968 -232.70396 4.26572 1.91865 -232.29895 403.44864
7800.0000 -237.38194 -232.58470 4.79724 1.89640 -232.75241 386.23006
7805.0000 -237.42239 -232.33195 5.09044 1.89587 -232.76331 385.70692
7810.0000 -237.11180 -232.21191 4.89990 1.91089 -232.45721 397.54420
7815.0000 -236.26846 -231.09722 5.17123 1.95543 -231.54954 426.30276
7820.0000 -236.65937 -231.60482 5.05455 1.94440 -231.77430 415.80845
7825.0000 -237.51181 -232.03084 5.48097 1.91249 -232.42456 396.47515
7830.0000 -237.47166 -232.33541 5.13624 1.91539 -232.36546 403.71016
7835.0000 -236.63812 -231.36807 5.27006 1.93698 -231.92549 411.69982
7840.0000 -236.83388 -232.01672 4.81717 1.93490 -231.96792 410.05019
7845.0000 -238.09894 -233.02471 5.07423 1.91079 -232.45916 393.48994
7850.0000 -236.63989 -232.17838 4.46151 1.89958 -232.68768 384.65966
7855.0000 -237.00990 -232.88532 4.12459 1.90121 -232.65453 386.02924
7860.0000 -237.12393 -232.66372 4.46021 1.89057 -232.87127 381.94471
7865.0000 -236.46848 -232.01560 4.45288 1.89916 -232.69615 389.04555
7870.0000 -237.60471 -233.09634 4.50838 1.91671 -232.33856 403.55845
7875.0000 -237.59333 -232.83178 4.76155 1.89198 -232.84264 380.48373
7880.0000 -237.57951 -232.85607 4.72345 1.88791 -232.92554 378.16945
7885.0000 -236.92004 -232.72579 4.19425 1.90334 -232.61095 389.02512
7890.0000 -237.30918 -232.69173 4.61745 1.89346 -232.81234 380.78016
7895.0000 -237.05106 -232.49978 4.55128 1.91737 -232.32511 396.02811
7900.0000 -237.22904 -232.44338 4.78566 1.91100 -232.45494 391.99563
7905.0000 -236.94588 -232.26521 4.68067 1.91140 -232.44674 397.91756
7910.0000 -236.43225 -231.50560 4.92665 1.94333 -231.79613 417.28843
7915.0000 -237.13168 -232.24266 4.88902 1.94577 -231.74625 424.53256
7920.0000 -237.04053 -232.34242 4.69811 1.92894 -232.08932 406.27051
7925.0000 -236.77288 -232.65550 4.11737 1.91272 -232.41982 396.79204
7930.0000 -237.38255 -233.07746 4.30509 1.88385 -233.00831 372.93214
7935.0000 -237.25521 -232.88267 4.37254 1.86583 -233.37538 361.40268
7940.0000 -238.11741 -233.43988 4.67753 1.88197 -233.04658 368.48775
7945.0000 -237.97504 -233.33990 4.63514 1.88031 -233.08030 372.64611
7950.0000 -237.11805 -232.81979 4.29825 1.90282 -232.62161 386.56106
7955.0000 -237.22359 -233.25551 3.96808 1.88984 -232.88625 377.53531
7960.0000 -237.17768 -232.91293 4.26475 1.88851 -232.91334 375.48520
7965.0000 -236.89795 -232.23837 4.65958 1.90653 -232.54609 389.00365
7970.0000 -237.76376 -232.74703 5.01673 1.89412 -232.79886 378.28995
7975.0000 -236.71308 -232.25667 4.45641 1.89627 -232.75514 386.41811
7980.0000 -237.16685 -232.86086 4.30599 1.90231 -232.63211 386.64370
7985.0000 -237.75442 -232.97918 4.77524 1.86965 -233.29760 361.09099
7990.0000 -237.22520 -232.49807 4.72713 1.90272 -232.62369 383.27143
7995.0000 -237.05912 -232.41379 4.64533 1.90339 -232.61000 390.59476
8000.0000 -237.24661 -232.51081 4.73581 1.90237 -232.63078 383.29658
FREEZING PROCESS: loop number 33 T-loop= 370.00000000000000
main_MD> interactions number 33 at Temperature= 370.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93191 1.02214 1.78477
force_rgl> df(natom) 1.22032 2.78477 -0.86205
8005.0000 -237.15315 -232.13173 5.02142 1.92012 -232.26915 398.55084
8010.0000 -237.44230 -233.52887 3.91343 1.90643 -232.54808 386.89053
8015.0000 -238.08853 -233.52170 4.56683 1.87235 -233.24267 360.67905
8020.0000 -237.51175 -232.72816 4.78360 1.85732 -233.54887 351.08053
8025.0000 -237.75242 -232.87214 4.88028 1.88158 -233.05444 371.57091
8030.0000 -237.03595 -233.48645 3.54949 1.87047 -233.28100 363.47605
8035.0000 -237.79271 -233.39020 4.40251 1.85745 -233.54633 356.77342
8040.0000 -237.51707 -233.30355 4.21352 1.85638 -233.56804 356.63295
8045.0000 -237.46783 -233.50308 3.96476 1.85186 -233.66012 350.39590
8050.0000 -238.12569 -233.73395 4.39174 1.85846 -233.52561 361.90409
8055.0000 -237.92633 -233.74542 4.18091 1.83780 -233.94661 343.04852
8060.0000 -237.89342 -233.51769 4.37573 1.84113 -233.87888 341.16760
8065.0000 -237.52822 -233.15776 4.37046 1.86988 -233.29301 365.04920
8070.0000 -237.42446 -233.36661 4.05785 1.88291 -233.02731 375.37932
8075.0000 -237.11054 -233.14228 3.96825 1.87669 -233.15410 369.30440
8080.0000 -237.53622 -233.08760 4.44861 1.88661 -232.95192 378.55066
8085.0000 -237.32810 -232.86577 4.46234 1.88572 -232.97007 381.61029
8090.0000 -237.85237 -232.41923 5.43315 1.89464 -232.78823 385.96421
8095.0000 -237.88830 -232.94512 4.94318 1.90890 -232.49765 395.61166
8100.0000 -238.41018 -233.17337 5.23681 1.86755 -233.34043 363.41303
8105.0000 -237.51150 -232.86351 4.64798 1.88395 -233.00619 378.18039
8110.0000 -237.34735 -232.64621 4.70114 1.88395 -233.00612 369.39441
8115.0000 -237.62717 -233.24660 4.38057 1.87631 -233.16187 363.91041
8120.0000 -237.00355 -232.35391 4.64964 1.89396 -232.80216 382.18059
8125.0000 -236.44421 -231.78169 4.66252 1.90880 -232.49980 395.58379
8130.0000 -236.74640 -232.02220 4.72420 1.92286 -232.21313 403.53968
8135.0000 -236.90961 -232.31671 4.59290 1.91104 -232.45410 392.23605
8140.0000 -236.85933 -231.56398 5.29535 1.95759 -231.50546 425.58934
8145.0000 -237.95318 -233.02856 4.92462 1.91279 -232.41854 398.46226
8150.0000 -237.81238 -233.28813 4.52426 1.87102 -233.26966 365.23763
8155.0000 -237.24573 -232.85523 4.39051 1.86037 -233.48669 355.96477
8160.0000 -237.82827 -233.40080 4.42747 1.87832 -233.12098 370.94731
8165.0000 -237.11177 -233.04441 4.06735 1.86785 -233.33438 360.63253
8170.0000 -237.39081 -233.06570 4.32511 1.88227 -233.04050 372.84163
8175.0000 -237.44573 -233.07870 4.36703 1.88391 -233.00698 376.72392
8180.0000 -237.31664 -233.57847 3.73818 1.87406 -233.20774 368.14974
8185.0000 -238.10719 -234.19165 3.91555 1.85004 -233.69720 345.54964
8190.0000 -238.16503 -233.13192 5.03312 1.83763 -233.95008 337.48886
8195.0000 -237.60191 -232.68688 4.91503 1.89651 -232.75026 388.40740
8200.0000 -236.94772 -232.88685 4.06087 1.90219 -232.63438 388.73444
8205.0000 -238.22678 -233.27452 4.95226 1.89051 -232.87255 380.54623
8210.0000 -237.31952 -233.08002 4.23949 1.87152 -233.25956 366.73918
8215.0000 -237.43164 -232.74253 4.68911 1.88669 -232.95043 378.76415
8220.0000 -237.22156 -232.27192 4.94963 1.90422 -232.59302 388.91411
8225.0000 -237.01032 -232.29883 4.71149 1.93699 -231.92519 415.65889
8230.0000 -237.29620 -233.04775 4.24845 1.90454 -232.58667 390.14700
8235.0000 -237.37787 -232.94351 4.43436 1.86297 -233.43379 357.93511
8240.0000 -237.55186 -233.08039 4.47148 1.89074 -232.86789 375.98194
8245.0000 -237.92187 -232.91852 5.00334 1.87590 -233.17024 365.55120
8250.0000 -237.53038 -233.40605 4.12433 1.86417 -233.40934 359.51394
FREEZING PROCESS: loop number 34 T-loop= 345.00000000000000
main_MD> interactions number 34 at Temperature= 345.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.96434 0.61349 0.07888
force_rgl> df(natom) 0.27000 -1.29717 -0.64236
8255.0000 -238.11864 -233.84732 4.27132 1.84444 -233.81135 342.31657
8260.0000 -237.81982 -233.82715 3.99268 1.86044 -233.48529 354.97152
8265.0000 -237.93843 -233.99208 3.94635 1.84024 -233.89690 342.53387
8270.0000 -237.36554 -233.47222 3.89333 1.85342 -233.62829 348.45952
8275.0000 -237.62260 -233.84747 3.77513 1.83867 -233.92892 336.37612
8280.0000 -237.87519 -234.06699 3.80820 1.83776 -233.94761 337.55310
8285.0000 -237.72919 -233.62869 4.10050 1.84571 -233.78550 342.43247
8290.0000 -237.30149 -233.24237 4.05913 1.86423 -233.40809 360.87183
8295.0000 -237.18140 -232.89667 4.28474 1.89181 -232.84606 373.85630
8300.0000 -237.52064 -232.68212 4.83852 1.88970 -232.88903 382.36880
8305.0000 -237.34048 -233.23919 4.10129 1.89438 -232.79359 380.21742
8310.0000 -238.37269 -233.65469 4.71799 1.85760 -233.54309 354.69947
8315.0000 -237.94298 -233.49759 4.44539 1.86038 -233.48649 351.53289
8320.0000 -237.89530 -233.00815 4.88715 1.86786 -233.33409 361.64405
8325.0000 -237.77334 -233.71177 4.06157 1.86914 -233.30807 361.01212
8330.0000 -237.72794 -233.47486 4.25308 1.85658 -233.56402 351.38882
8335.0000 -238.02146 -234.01576 4.00570 1.85223 -233.65266 349.28039
8340.0000 -238.03946 -233.76909 4.27037 1.86015 -233.49116 354.30401
8345.0000 -237.72192 -233.39099 4.33094 1.84804 -233.73793 346.78248
8350.0000 -237.86858 -233.31973 4.54885 1.86385 -233.41583 358.66385
8355.0000 -237.33731 -232.77411 4.56320 1.88009 -233.08493 370.62209
8360.0000 -237.84728 -233.13214 4.71514 1.86498 -233.39285 359.05453
8365.0000 -237.38309 -233.37180 4.01129 1.86170 -233.45968 355.60942
8370.0000 -237.74722 -233.53262 4.21460 1.86378 -233.41724 357.43336
8375.0000 -238.31959 -234.32404 3.99555 1.84040 -233.89362 340.76457
8380.0000 -238.10229 -234.75566 3.34662 1.80350 -234.64566 310.96502
8385.0000 -238.06913 -234.39828 3.67085 1.81886 -234.33268 322.56800
8390.0000 -237.54553 -233.68740 3.85813 1.82508 -234.20586 327.74482
8395.0000 -237.89165 -233.76769 4.12396 1.84137 -233.87403 338.36600
8400.0000 -237.60411 -232.97498 4.62913 1.85521 -233.59196 351.31911
8405.0000 -238.57058 -234.09453 4.47605 1.85573 -233.58124 352.10709
8410.0000 -238.00057 -233.99293 4.00764 1.86541 -233.38408 359.04201
8415.0000 -238.35909 -234.04072 4.31837 1.83497 -234.00440 335.54486
8420.0000 -238.27552 -234.34053 3.93498 1.81871 -234.33577 320.83671
8425.0000 -237.67919 -233.64533 4.03385 1.83679 -233.96720 334.50033
8430.0000 -237.64801 -233.49990 4.14811 1.85286 -233.63984 347.54026
8435.0000 -237.23563 -232.92298 4.31265 1.88557 -232.97323 372.07481
8440.0000 -238.01688 -233.13502 4.88186 1.86407 -233.41127 357.68472
8445.0000 -237.55849 -233.32479 4.23370 1.87651 -233.15777 368.71326
8450.0000 -237.86323 -233.93246 3.93078 1.86030 -233.48809 356.05098
8455.0000 -237.96469 -233.76562 4.19907 1.84635 -233.77248 343.33618
8460.0000 -237.43238 -233.75384 3.67854 1.85535 -233.58894 351.53025
8465.0000 -238.01828 -234.07017 3.94811 1.84986 -233.70085 356.47209
8470.0000 -236.97107 -232.62317 4.34790 1.85180 -233.66136 350.00559
8475.0000 -237.08086 -232.48794 4.59291 1.90322 -232.61347 385.36960
8480.0000 -237.34828 -233.60043 3.74785 1.87656 -233.15680 367.54288
8485.0000 -238.04868 -234.35097 3.69771 1.83105 -234.08420 331.63388
8490.0000 -237.95746 -234.13546 3.82200 1.82338 -234.24065 324.50563
8495.0000 -238.40465 -234.11943 4.28522 1.83059 -234.09372 332.05938
8500.0000 -237.89075 -234.42501 3.46574 1.82920 -234.12193 332.30002
FREEZING PROCESS: loop number 35 T-loop= 320.00000000000000
main_MD> interactions number 35 at Temperature= 320.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.32162 2.45143 -1.31435
force_rgl> df(natom) 1.45411 -3.20879 1.53015
8505.0000 -238.37412 -234.74041 3.63371 1.80630 -234.58857 311.84657
8510.0000 -238.68535 -234.81703 3.86832 1.79082 -234.90418 301.85069
8515.0000 -238.80927 -235.08594 3.72333 1.80457 -234.62398 314.51601
8520.0000 -238.66702 -235.06898 3.59804 1.79468 -234.82542 302.38926
8525.0000 -238.41919 -234.56161 3.85758 1.80180 -234.68035 307.60175
8530.0000 -238.38738 -234.71978 3.66760 1.81541 -234.40291 319.33534
8535.0000 -238.51811 -234.67068 3.84743 1.81057 -234.50166 314.56187
8540.0000 -238.18754 -233.65068 4.53686 1.81703 -234.36999 323.14284
8545.0000 -238.98359 -234.77445 4.20914 1.82658 -234.17540 329.76361
8550.0000 -238.52927 -235.14162 3.38765 1.80260 -234.66410 314.73089
8555.0000 -238.02234 -233.88493 4.13741 1.81542 -234.40285 317.91902
8560.0000 -238.03394 -234.12887 3.90508 1.82603 -234.18657 327.24594
8565.0000 -238.06716 -233.81621 4.25095 1.84321 -233.83638 341.34698
8570.0000 -238.07351 -234.17822 3.89528 1.82478 -234.21202 328.07172
8575.0000 -238.58593 -235.07597 3.50996 1.79762 -234.76549 304.96043
8580.0000 -238.35360 -234.37415 3.97945 1.78349 -235.05355 293.83006
8585.0000 -238.23619 -234.72952 3.50667 1.81505 -234.41023 319.36696
8590.0000 -237.43083 -233.70231 3.72852 1.83586 -233.98628 335.01636
8595.0000 -238.20857 -234.33800 3.87057 1.83022 -234.10126 332.49965
8600.0000 -238.23846 -234.80169 3.43677 1.80135 -234.68960 308.30235
8605.0000 -238.63784 -234.90438 3.73346 1.79412 -234.83681 303.67859
8610.0000 -238.03467 -233.53969 4.49498 1.82368 -234.23439 328.55505
8615.0000 -237.37434 -233.62105 3.75329 1.85859 -233.52304 355.19375
8620.0000 -237.78032 -233.98602 3.79430 1.84242 -233.85256 341.44178
8625.0000 -238.12225 -234.64793 3.47431 1.82399 -234.22808 327.79897
8630.0000 -238.39239 -234.65801 3.73438 1.79644 -234.78955 305.61462
8635.0000 -238.12743 -234.51414 3.61329 1.78848 -234.95176 297.20141
8640.0000 -238.22618 -233.99585 4.23032 1.81348 -234.44234 320.38142
8645.0000 -238.10722 -233.73784 4.36938 1.84447 -233.81078 341.56177
8650.0000 -238.68931 -234.94877 3.74053 1.81476 -234.41628 322.10761
8655.0000 -238.73752 -235.17710 3.56042 1.78197 -235.08446 292.76416
8660.0000 -238.87440 -235.53415 3.34024 1.77697 -235.18637 288.77238
8665.0000 -238.08622 -234.23465 3.85157 1.80122 -234.69219 308.34973
8670.0000 -237.63397 -234.54906 3.08490 1.80053 -234.70614 305.78296
8675.0000 -238.20649 -234.55495 3.65154 1.81340 -234.44403 317.29477
8680.0000 -238.52023 -234.69335 3.82687 1.79953 -234.72661 304.77021
8685.0000 -238.59692 -235.02696 3.56996 1.78998 -234.92117 297.76181
8690.0000 -237.96942 -234.05913 3.91029 1.79622 -234.79412 301.61904
8695.0000 -237.99324 -234.08831 3.90493 1.83338 -234.03675 331.88439
8700.0000 -238.09119 -234.22334 3.86784 1.80980 -234.51726 312.03635
8705.0000 -238.19389 -234.27571 3.91818 1.81575 -234.39597 318.99033
8710.0000 -237.83368 -233.42601 4.40767 1.83618 -233.97969 334.08669
8715.0000 -237.65850 -233.57297 4.08553 1.85935 -233.50761 353.97501
8720.0000 -237.73334 -234.32490 3.40844 1.81558 -234.39947 318.31334
8725.0000 -238.20765 -234.63301 3.57464 1.81458 -234.42000 314.68575
8730.0000 -238.11306 -234.44528 3.66777 1.81858 -234.33835 319.57161
8735.0000 -238.02135 -234.32998 3.69137 1.81554 -234.40031 318.11114
8740.0000 -237.88107 -233.79328 4.08779 1.82310 -234.24618 326.66013
8745.0000 -238.52850 -234.87864 3.64986 1.81106 -234.49174 314.47361
8750.0000 -238.55504 -235.24339 3.31165 1.79371 -234.84532 302.28460
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 17 [min], 25.3362836 [s].
main_MD> Deallocating global variables
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