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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_95/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_95.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 = 95 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 95 9500
main_MD> Size of nv and nvoiz: 95 9500
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 = 95
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> 9.1981276055682543E-002 -2.9766434672230887E-002 -0.10311779168841498 initial drift of cluster / NP1 for coalescence
init> 0.33746677273957054 0.34816321951314705 0.33826714817459969 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7639041448593535E-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) -1.31024 -1.00062 1.00670
force_rgl> df(natom) -1.73040 2.97958 0.80877
preparo> THERMALIZATION PROCESS AT 1231.2225127656127
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -206.01897402019296 16.388848916583740 -222.40782293677668 7.4848106700991113E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1204.0000000000000
main_MD> interactions number 1 at Temperature= 1204.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16257 0.27131 2.35159
force_rgl> df(natom) 2.11978 -1.54411 -0.20762
5.0000 -223.86728 -205.96799 17.89929 3.63201 -204.63136 1395.12176
10.0000 -223.25243 -208.36570 14.88672 3.49444 -207.49550 1314.64350
15.0000 -225.67276 -211.29935 14.37341 3.44832 -208.45570 1290.54474
20.0000 -226.20101 -209.83076 16.37024 3.33118 -210.89466 1203.76037
25.0000 -223.79194 -208.93615 14.85579 3.42195 -209.00474 1248.61124
30.0000 -224.58040 -209.34102 15.23938 3.38608 -209.75159 1238.14011
35.0000 -224.38217 -208.23420 16.14797 3.40933 -209.26738 1231.11929
40.0000 -225.76623 -211.85866 13.90757 3.34483 -210.61036 1240.43338
45.0000 -227.12545 -213.51128 13.61417 3.27254 -212.11536 1189.67159
50.0000 -226.20352 -210.82338 15.38013 3.23681 -212.85937 1142.97285
55.0000 -224.74394 -210.67722 14.06672 3.39780 -209.50747 1260.31129
60.0000 -223.50221 -209.06453 14.43768 3.32432 -211.03743 1188.60837
65.0000 -222.71370 -207.07017 15.64353 3.40487 -209.36028 1218.11606
70.0000 -224.44787 -207.56441 16.88346 3.48016 -207.79284 1243.41516
75.0000 -226.89186 -210.07300 16.81885 3.44402 -208.54519 1270.97911
80.0000 -224.54428 -209.89514 14.64915 3.39348 -209.59746 1255.95327
85.0000 -224.90525 -210.14709 14.75816 3.36391 -210.21303 1238.97358
90.0000 -226.46636 -212.04321 14.42314 3.35996 -210.29540 1213.21131
95.0000 -226.70997 -211.85128 14.85869 3.28486 -211.85892 1209.80503
100.0000 -226.50338 -209.17240 17.33098 3.34782 -210.54814 1199.96796
105.0000 -225.21288 -209.94490 15.26798 3.40054 -209.45056 1275.92699
110.0000 -225.85913 -209.69676 16.16236 3.33249 -210.86719 1194.60600
115.0000 -225.31178 -210.66782 14.64395 3.34589 -210.58826 1207.64526
120.0000 -224.30805 -209.96846 14.33959 3.43804 -208.66978 1263.66931
125.0000 -224.39574 -211.15457 13.24117 3.32755 -210.97010 1214.05236
130.0000 -226.30768 -211.58262 14.72507 3.33378 -210.84048 1213.54842
135.0000 -226.81914 -211.19043 15.62871 3.31980 -211.13154 1207.14935
140.0000 -225.55773 -211.21284 14.34488 3.27002 -212.16786 1196.63010
145.0000 -225.39220 -211.89071 13.50149 3.25804 -212.41741 1124.82263
150.0000 -226.38300 -212.71387 13.66913 3.16423 -214.37041 1115.63793
155.0000 -226.73585 -213.06576 13.67009 3.24146 -212.76254 1121.57805
160.0000 -226.51716 -211.80315 14.71401 3.32212 -211.08311 1186.60657
165.0000 -226.78493 -210.75585 16.02908 3.32266 -211.07195 1188.66639
170.0000 -224.58355 -211.15285 13.43070 3.28548 -211.84606 1176.50219
175.0000 -223.03296 -209.57391 13.45905 3.36070 -210.27988 1185.80764
180.0000 -226.77800 -208.93578 17.84223 3.34540 -210.59853 1192.78625
185.0000 -222.76015 -206.51279 16.24736 3.54757 -206.38926 1376.70578
190.0000 -227.94380 -211.72484 16.21896 3.40287 -209.40202 1226.48306
195.0000 -222.77091 -206.20300 16.56791 3.43717 -208.68777 1292.51632
200.0000 -224.85109 -207.81333 17.03776 3.49766 -207.42843 1280.46133
205.0000 -227.11257 -212.08289 15.02968 3.44184 -208.59059 1261.90085
210.0000 -226.52492 -210.24352 16.28141 3.32298 -211.06528 1207.83025
215.0000 -225.64132 -211.14659 14.49472 3.33045 -210.90984 1204.47301
220.0000 -223.95846 -209.01261 14.94585 3.36957 -210.09523 1217.78827
225.0000 -226.74735 -212.08170 14.66564 3.33735 -210.76602 1186.38461
230.0000 -226.97774 -212.34602 14.63172 3.32655 -210.99103 1218.24782
235.0000 -228.31692 -214.27087 14.04605 3.23239 -212.95141 1141.05052
240.0000 -227.40290 -212.57777 14.82513 3.27085 -212.15060 1174.26909
245.0000 -225.62614 -211.33514 14.29100 3.19520 -213.72569 1084.88896
250.0000 -224.37006 -210.36402 14.00604 3.32484 -211.02662 1186.89926
FREEZING PROCESS: loop number 2 T-loop= 1179.0000000000000
main_MD> interactions number 2 at Temperature= 1179.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.11792 -0.81390 1.50465
force_rgl> df(natom) 0.67411 1.05607 -3.62973
255.0000 -228.81421 -214.02065 14.79356 3.36033 -210.28764 1191.91280
260.0000 -228.61282 -212.02975 16.58307 3.23446 -212.90830 1148.10390
265.0000 -224.41982 -208.70951 15.71031 3.33445 -210.82650 1168.94885
270.0000 -224.72751 -212.82058 11.90693 3.34655 -210.57461 1195.07306
275.0000 -225.13973 -212.98821 12.15153 3.24795 -212.62737 1139.59020
280.0000 -224.52883 -207.57900 16.94984 3.40360 -209.38667 1230.87950
285.0000 -225.80677 -210.96439 14.84238 3.44899 -208.44175 1264.25206
290.0000 -228.22584 -213.59255 14.63329 3.17592 -214.12711 1076.76470
295.0000 -223.84269 -208.35181 15.49087 3.31620 -211.20654 1181.28659
300.0000 -226.47022 -210.25006 16.22016 3.44477 -208.52959 1295.89124
305.0000 -226.47945 -210.97661 15.50284 3.29064 -211.73857 1181.16122
310.0000 -225.72314 -209.54457 16.17857 3.32555 -211.01176 1211.59204
315.0000 -227.20700 -212.50316 14.70384 3.28176 -211.92350 1174.70255
320.0000 -224.75203 -212.52677 12.22526 3.27402 -212.08471 1161.30481
325.0000 -229.19526 -213.26018 15.93508 3.18258 -213.98844 1120.10086
330.0000 -227.94498 -213.09783 14.84714 3.25045 -212.57534 1154.33639
335.0000 -227.31718 -213.01584 14.30135 3.20824 -213.45429 1114.82978
340.0000 -226.92102 -211.81319 15.10783 3.26256 -212.32333 1180.67454
345.0000 -228.94986 -213.09042 15.85944 3.18888 -213.85723 1148.06220
350.0000 -225.90167 -211.50506 14.39661 3.29272 -211.69533 1182.79404
355.0000 -229.07627 -213.11487 15.96140 3.32746 -210.97212 1180.95947
360.0000 -225.25146 -212.02876 13.22269 3.24798 -212.62676 1175.22734
365.0000 -228.08022 -214.66985 13.41037 3.17642 -214.11667 1118.31224
370.0000 -226.76908 -212.97007 13.79901 3.23457 -212.90590 1132.23551
375.0000 -224.86205 -209.65111 15.21093 3.29132 -211.72440 1162.57202
380.0000 -226.04714 -210.89889 15.14825 3.43425 -208.74855 1264.76003
385.0000 -225.81714 -209.44649 16.37065 3.31467 -211.23825 1201.45587
390.0000 -226.66382 -212.11807 14.54574 3.35743 -210.34811 1237.64035
395.0000 -226.83626 -212.32821 14.50804 3.33466 -210.82212 1207.89740
400.0000 -228.12708 -213.99306 14.13402 3.21439 -213.32605 1134.66464
405.0000 -226.01665 -214.06458 11.95207 3.23293 -212.94008 1166.86675
410.0000 -226.62097 -212.02492 14.59605 3.23164 -212.96693 1151.13791
415.0000 -226.40787 -210.00246 16.40541 3.36487 -210.19306 1222.12181
420.0000 -226.51267 -212.26600 14.24667 3.26196 -212.33566 1176.66211
425.0000 -227.19095 -211.55916 15.63179 3.24621 -212.66362 1177.63037
430.0000 -223.66867 -207.52270 16.14598 3.43724 -208.68640 1271.47581
435.0000 -227.61300 -212.31087 15.30213 3.35798 -210.33653 1190.04213
440.0000 -226.84293 -212.64098 14.20195 3.22710 -213.06144 1137.14907
445.0000 -229.04256 -215.13592 13.90664 3.11379 -215.42065 1072.19981
450.0000 -228.17549 -212.99467 15.18082 3.11674 -215.35917 1060.29524
455.0000 -226.85601 -211.44542 15.41060 3.30115 -211.51981 1207.08181
460.0000 -227.24527 -211.70911 15.53616 3.30545 -211.43029 1207.40212
465.0000 -227.78840 -210.06144 17.72696 3.28965 -211.75916 1200.86914
470.0000 -224.78626 -208.90150 15.88476 3.43047 -208.82738 1288.37790
475.0000 -224.34056 -210.67315 13.66741 3.38423 -209.78999 1239.06868
480.0000 -225.93268 -210.68985 15.24283 3.31992 -211.12891 1200.91146
485.0000 -227.83602 -214.18286 13.65316 3.22596 -213.08528 1118.90502
490.0000 -227.63656 -212.21375 15.42281 3.22542 -213.09657 1131.41019
495.0000 -226.79427 -210.28921 16.50506 3.30451 -211.44990 1184.29838
500.0000 -227.81961 -211.87803 15.94158 3.26036 -212.36904 1144.14337
FREEZING PROCESS: loop number 3 T-loop= 1154.0000000000000
main_MD> interactions number 3 at Temperature= 1154.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03957 -2.03454 1.47171
force_rgl> df(natom) -1.10802 1.47537 3.29898
505.0000 -226.05636 -210.81628 15.24008 3.33756 -210.76180 1206.27096
510.0000 -229.47356 -213.73032 15.74323 3.21067 -213.40363 1145.91599
515.0000 -227.12325 -211.89878 15.22448 3.21836 -213.24351 1152.84144
520.0000 -228.07448 -212.87324 15.20124 3.22456 -213.11434 1151.39755
525.0000 -224.70488 -208.39800 16.30688 3.24701 -212.64705 1155.13171
530.0000 -226.70121 -211.73963 14.96158 3.31791 -211.17079 1188.71426
535.0000 -227.80947 -214.45200 13.35747 3.26989 -212.17065 1158.33494
540.0000 -228.46953 -212.92581 15.54372 3.22299 -213.14704 1136.24060
545.0000 -228.25596 -211.62182 16.63414 3.25003 -212.58415 1164.28932
550.0000 -227.31441 -212.86745 14.44696 3.25730 -212.43285 1185.41110
555.0000 -227.73680 -213.48681 14.24998 3.26688 -212.23333 1165.64737
560.0000 -225.81136 -211.85626 13.95510 3.26305 -212.31295 1134.08735
565.0000 -227.43944 -212.47089 14.96855 3.27152 -212.13670 1163.07040
570.0000 -223.46129 -208.32213 15.13917 3.31257 -211.28208 1199.83838
575.0000 -225.74692 -209.62745 16.11947 3.37876 -209.90398 1230.80812
580.0000 -227.78339 -211.45909 16.32430 3.36239 -210.24469 1223.15133
585.0000 -226.72739 -214.28800 12.43939 3.21998 -213.20977 1139.91047
590.0000 -229.93321 -216.11580 13.81741 3.16320 -214.39200 1119.63207
595.0000 -227.77578 -215.15939 12.61639 3.11599 -215.37476 1075.41211
600.0000 -226.94532 -213.69825 13.24707 3.15987 -214.46130 1074.42007
605.0000 -225.35313 -211.21873 14.13440 3.23639 -212.86816 1137.63399
610.0000 -228.46610 -213.53027 14.93583 3.21472 -213.31931 1122.05476
615.0000 -227.99935 -214.51958 13.47978 3.20695 -213.48095 1134.44168
620.0000 -226.13693 -212.91223 13.22471 3.21052 -213.40671 1121.91585
625.0000 -227.06519 -210.73486 16.33033 3.27976 -211.96519 1175.84583
630.0000 -225.32063 -210.80015 14.52048 3.31213 -211.29110 1208.27283
635.0000 -226.02968 -210.48587 15.54380 3.33751 -210.76286 1211.43298
640.0000 -228.32725 -212.66574 15.66151 3.29242 -211.70154 1161.89802
645.0000 -227.61886 -213.61501 14.00384 3.22642 -213.07559 1133.65402
650.0000 -228.70219 -215.87358 12.82861 3.16545 -214.34515 1067.30233
655.0000 -226.38406 -213.06978 13.31428 3.19593 -213.71044 1105.52061
660.0000 -225.08050 -210.17916 14.90134 3.31257 -211.28196 1193.07200
665.0000 -227.18184 -211.63709 15.54475 3.32035 -211.12003 1197.02323
670.0000 -226.99427 -212.82939 14.16489 3.30361 -211.46852 1183.96948
675.0000 -229.10100 -215.38745 13.71355 3.17323 -214.18315 1087.36853
680.0000 -228.40172 -213.48300 14.91872 3.12888 -215.10654 1065.31230
685.0000 -226.71978 -212.71157 14.00821 3.16484 -214.35779 1116.85778
690.0000 -225.06246 -211.07893 13.98354 3.26750 -212.22031 1156.03549
695.0000 -226.50411 -214.27472 12.22939 3.29376 -211.67364 1216.51897
700.0000 -226.14503 -212.41626 13.72877 3.19933 -213.63974 1104.17423
705.0000 -230.45387 -217.30100 13.15287 3.15115 -214.64286 1108.18764
710.0000 -227.63349 -213.60433 14.02915 3.12919 -215.10007 1070.56845
715.0000 -227.77131 -213.98969 13.78162 3.23554 -212.88575 1129.79585
720.0000 -228.50650 -216.41408 12.09242 3.12565 -215.17366 1078.54960
725.0000 -230.72755 -218.48295 12.24460 3.03088 -217.14682 994.74066
730.0000 -229.63074 -217.49141 12.13933 3.01844 -217.40577 1015.45916
735.0000 -231.20035 -217.85224 13.34811 3.04141 -216.92767 1037.88493
740.0000 -226.96400 -215.49661 11.46740 3.07176 -216.29570 1071.24918
745.0000 -229.12016 -217.07529 12.04487 3.09773 -215.75499 1036.72501
750.0000 -227.48518 -214.04603 13.43915 3.11471 -215.40141 1064.20528
FREEZING PROCESS: loop number 4 T-loop= 1129.0000000000000
main_MD> interactions number 4 at Temperature= 1129.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88375 -1.63942 -1.30645
force_rgl> df(natom) 0.31678 -4.40809 0.23615
755.0000 -228.56857 -215.35679 13.21178 3.13794 -214.91782 1091.42603
760.0000 -225.51634 -212.57532 12.94102 3.12769 -215.13116 1077.33253
765.0000 -227.47328 -212.23352 15.23976 3.23172 -212.96528 1159.10297
770.0000 -223.73233 -210.44072 13.29161 3.32873 -210.94562 1207.39001
775.0000 -227.25505 -214.63467 12.62038 3.25403 -212.50091 1168.81052
780.0000 -227.95386 -214.87377 13.08009 3.18720 -213.89219 1085.73338
785.0000 -228.45820 -212.76606 15.69213 3.21510 -213.31127 1153.74455
790.0000 -227.86918 -214.47598 13.39320 3.22323 -213.14207 1136.44396
795.0000 -229.45348 -215.45183 14.00165 3.16328 -214.39035 1120.72683
800.0000 -225.17424 -212.24526 12.92898 3.21820 -213.24681 1151.85284
805.0000 -226.51637 -214.64182 11.87455 3.20618 -213.49717 1113.67822
810.0000 -228.86419 -213.67490 15.18929 3.14793 -214.70974 1075.72568
815.0000 -225.84127 -210.82903 15.01224 3.28834 -211.78646 1181.18952
820.0000 -228.14192 -216.38215 11.75977 3.16197 -214.41757 1091.33503
825.0000 -228.31189 -215.07658 13.23531 3.09962 -215.71559 1069.75642
830.0000 -226.05624 -211.79941 14.25683 3.21670 -213.27813 1116.67181
835.0000 -227.21241 -213.33341 13.87900 3.24281 -212.73452 1163.04079
840.0000 -227.93766 -213.40893 14.52873 3.24561 -212.67619 1129.09533
845.0000 -227.06757 -215.25907 11.80850 3.17419 -214.16313 1122.99716
850.0000 -228.89531 -214.02559 14.86972 3.17177 -214.21353 1108.65885
855.0000 -226.60395 -213.61653 12.98742 3.20287 -213.56589 1114.59118
860.0000 -226.12830 -212.11480 14.01350 3.27074 -212.15287 1163.52572
865.0000 -226.93912 -211.50949 15.42963 3.28896 -211.77358 1182.44608
870.0000 -228.21497 -213.31931 14.89566 3.28905 -211.77167 1216.94059
875.0000 -225.56864 -211.73658 13.83206 3.28466 -211.86314 1158.20559
880.0000 -226.95218 -212.33561 14.61657 3.29745 -211.59675 1192.21030
885.0000 -223.64377 -210.57199 13.07178 3.30168 -211.50876 1179.92384
890.0000 -225.63758 -211.07151 14.56607 3.39379 -209.59106 1243.85447
895.0000 -227.41771 -213.61773 13.79998 3.27857 -211.98992 1176.81496
900.0000 -226.59173 -213.67894 12.91279 3.17344 -214.17881 1088.93426
905.0000 -230.26354 -215.94603 14.31752 3.19248 -213.78222 1141.30980
910.0000 -228.32546 -214.94138 13.38408 3.19177 -213.79715 1130.40046
915.0000 -228.27911 -214.18065 14.09846 3.25230 -212.53678 1154.36283
920.0000 -227.86943 -212.89221 14.97722 3.22700 -213.06360 1132.19138
925.0000 -225.91741 -210.64306 15.27435 3.30089 -211.52512 1171.66167
930.0000 -225.93517 -211.66040 14.27477 3.34461 -210.61491 1184.64588
935.0000 -226.72465 -211.33267 15.39198 3.32964 -210.92655 1165.66249
940.0000 -228.62152 -214.57846 14.04306 3.23257 -212.94757 1150.73110
945.0000 -226.65255 -215.28308 11.36946 3.10433 -215.61758 1062.77441
950.0000 -227.91227 -215.49804 12.41423 3.09512 -215.80936 1057.78671
955.0000 -228.89173 -215.52642 13.36531 3.08468 -216.02678 1059.39462
960.0000 -229.45627 -216.58934 12.86692 3.08938 -215.92894 1047.14672
965.0000 -228.90156 -215.84079 13.06077 3.12709 -215.14375 1126.38943
970.0000 -227.35995 -214.83536 12.52459 3.14016 -214.87156 1081.94100
975.0000 -229.55303 -217.06620 12.48683 3.05042 -216.74010 1016.52590
980.0000 -230.22031 -214.77524 15.44507 3.11355 -215.42569 1070.43922
985.0000 -228.28728 -214.20078 14.08649 3.16413 -214.37247 1123.95238
990.0000 -227.51263 -212.92598 14.58665 3.16867 -214.27804 1080.96100
995.0000 -224.96603 -210.91699 14.04904 3.25334 -212.51518 1184.53625
1000.0000 -228.87495 -214.50668 14.36827 3.20281 -213.56731 1097.28813
FREEZING PROCESS: loop number 5 T-loop= 1104.0000000000000
main_MD> interactions number 5 at Temperature= 1104.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89759 -3.98202 -0.33914
force_rgl> df(natom) 1.65268 -2.16626 7.72014
1005.0000 -227.89969 -215.15203 12.74766 3.20613 -213.49819 1129.55688
1010.0000 -228.05621 -215.13775 12.91846 3.11421 -215.41180 1084.67815
1015.0000 -227.51152 -213.29248 14.21904 3.16336 -214.38852 1105.42635
1020.0000 -227.26993 -214.21067 13.05926 3.19416 -213.74730 1076.33524
1025.0000 -227.46885 -213.91365 13.55519 3.15804 -214.49930 1038.87842
1030.0000 -228.64016 -215.24764 13.39252 3.16422 -214.37065 1086.75868
1035.0000 -228.42333 -215.30310 13.12023 3.14077 -214.85901 1075.69881
1040.0000 -229.26996 -213.69957 15.57038 3.19425 -213.74539 1106.02822
1045.0000 -226.38881 -211.93112 14.45769 3.24510 -212.68686 1137.59427
1050.0000 -228.65249 -213.99855 14.65394 3.19853 -213.65625 1118.79461
1055.0000 -227.43621 -214.28272 13.15349 3.13541 -214.97056 1082.33317
1060.0000 -230.52651 -217.07328 13.45324 3.04990 -216.75081 1031.64139
1065.0000 -225.62327 -212.79606 12.82721 3.13317 -215.01716 1057.13058
1070.0000 -227.99741 -212.78499 15.21242 3.20231 -213.57775 1116.66096
1075.0000 -227.35675 -212.90314 14.45361 3.20970 -213.42385 1134.87958
1080.0000 -228.35774 -213.49619 14.86155 3.19082 -213.81684 1143.79886
1085.0000 -227.23242 -213.62594 13.60647 3.24533 -212.68194 1192.23077
1090.0000 -227.45965 -214.62920 12.83045 3.15757 -214.50912 1091.11189
1095.0000 -229.60188 -215.87661 13.72527 3.16061 -214.44590 1088.02975
1100.0000 -224.76271 -211.90565 12.85707 3.16841 -214.28350 1085.87897
1105.0000 -227.89242 -214.35146 13.54096 3.26760 -212.21838 1164.37899
1110.0000 -226.55065 -213.24009 13.31055 3.24004 -212.79221 1184.81787
1115.0000 -226.65174 -213.20247 13.44926 3.21104 -213.39599 1142.99835
1120.0000 -227.61886 -214.10948 13.50939 3.21206 -213.37462 1152.34570
1125.0000 -226.71656 -212.28380 14.43276 3.17337 -214.18017 1114.22507
1130.0000 -226.94298 -212.70358 14.23940 3.31740 -211.18141 1191.40830
1135.0000 -225.61012 -213.99297 11.61715 3.20325 -213.55816 1092.13302
1140.0000 -228.85267 -215.35910 13.49357 3.10005 -215.70663 1053.67289
1145.0000 -226.04774 -210.43660 15.61114 3.23434 -212.91080 1130.26778
1150.0000 -226.46320 -213.23790 13.22530 3.33458 -210.82381 1215.98636
1155.0000 -226.77565 -213.91984 12.85581 3.18473 -213.94360 1103.71022
1160.0000 -228.37024 -214.92571 13.44453 3.16447 -214.36539 1121.85281
1165.0000 -226.64601 -212.41989 14.22612 3.17003 -214.24962 1113.60190
1170.0000 -228.01461 -214.34445 13.67016 3.20276 -213.56830 1107.92454
1175.0000 -229.40120 -214.76260 14.63859 3.14283 -214.81609 1113.04426
1180.0000 -229.73883 -216.38347 13.35536 3.11111 -215.47647 1088.65508
1185.0000 -227.90292 -214.51183 13.39109 3.12377 -215.21284 1073.05531
1190.0000 -228.59712 -214.13949 14.45763 3.19883 -213.65013 1119.19553
1195.0000 -227.72713 -215.87304 11.85409 3.09719 -215.76635 1071.22875
1200.0000 -226.08539 -211.98351 14.10187 3.18862 -213.86262 1139.50711
1205.0000 -228.80298 -213.28249 15.52049 3.24996 -212.58559 1126.48850
1210.0000 -228.26348 -214.53334 13.73014 3.24309 -212.72857 1157.40211
1215.0000 -227.53487 -214.49898 13.03589 3.13773 -214.92218 1091.20714
1220.0000 -229.47093 -216.90309 12.56785 3.08515 -216.01697 1083.02629
1225.0000 -229.49610 -215.13025 14.36584 3.15893 -214.48092 1091.92305
1230.0000 -226.89630 -213.47247 13.42383 3.19293 -213.77301 1119.55523
1235.0000 -229.69654 -214.72542 14.97112 3.10240 -215.65772 1078.55761
1240.0000 -227.42100 -215.06155 12.35944 3.17969 -214.04857 1099.83195
1245.0000 -226.78026 -213.79286 12.98740 3.14616 -214.74665 1111.53973
1250.0000 -228.90771 -215.43156 13.47615 3.13202 -215.04102 1060.26905
FREEZING PROCESS: loop number 6 T-loop= 1079.0000000000000
main_MD> interactions number 6 at Temperature= 1079.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.86784 -0.47327 3.73199
force_rgl> df(natom) 4.39348 -3.28180 -5.44016
1255.0000 -229.33551 -215.71179 13.62371 3.15516 -214.55940 1131.17534
1260.0000 -229.60571 -215.26360 14.34211 3.09955 -215.71715 1067.58035
1265.0000 -229.28705 -214.61755 14.66950 3.14838 -214.70039 1110.72440
1270.0000 -228.56635 -215.36320 13.20315 3.12163 -215.25744 1082.83315
1275.0000 -228.65060 -216.30837 12.34223 3.05616 -216.62041 1016.48916
1280.0000 -227.70822 -215.29316 12.41506 3.05157 -216.71610 1012.79769
1285.0000 -228.68524 -217.61191 11.07333 3.15272 -214.61018 1081.44076
1290.0000 -228.41506 -215.12204 13.29302 3.04775 -216.79561 1013.78267
1295.0000 -226.80028 -212.30258 14.49770 3.16906 -214.26984 1106.41909
1300.0000 -230.73206 -218.93852 11.79354 3.10379 -215.62893 1066.06695
1305.0000 -229.50598 -217.21355 12.29243 3.00817 -217.61966 1001.62132
1310.0000 -229.76319 -216.89875 12.86444 3.05088 -216.73036 1045.78876
1315.0000 -228.72285 -215.05924 13.66361 3.08889 -215.93908 1030.89891
1320.0000 -228.44414 -216.09019 12.35394 3.13440 -214.99164 1093.66635
1325.0000 -230.11084 -217.58939 12.52145 3.03857 -216.98676 1021.59645
1330.0000 -230.74811 -218.84964 11.89847 3.01392 -217.49994 1009.59575
1335.0000 -227.54666 -214.64333 12.90334 3.03885 -216.98094 1023.91695
1340.0000 -228.96993 -214.65334 14.31659 3.16403 -214.37454 1101.03045
1345.0000 -224.41528 -211.28942 13.12585 3.22869 -213.02839 1136.36846
1350.0000 -226.49576 -212.98304 13.51272 3.30293 -211.48280 1152.55850
1355.0000 -226.50306 -212.87972 13.62334 3.23338 -212.93069 1147.80899
1360.0000 -228.15435 -215.09262 13.06174 3.17479 -214.15067 1124.13732
1365.0000 -227.39166 -212.89312 14.49854 3.16768 -214.29867 1125.35056
1370.0000 -229.47005 -215.58453 13.88552 3.17559 -214.13393 1108.97831
1375.0000 -229.16364 -216.66910 12.49454 3.07695 -216.18775 1058.32574
1380.0000 -227.20451 -214.84420 12.36031 3.13468 -214.98575 1066.85521
1385.0000 -227.47236 -215.46616 12.00620 3.07960 -216.13254 1052.50752
1390.0000 -230.97644 -217.10812 13.86832 3.07123 -216.30678 1054.30757
1395.0000 -229.81710 -215.47441 14.34269 3.07383 -216.25260 1049.70138
1400.0000 -227.59739 -213.33739 14.26000 3.15072 -214.65184 1116.59957
1405.0000 -228.06715 -214.26953 13.79762 3.19017 -213.83037 1123.41596
1410.0000 -228.71474 -213.35420 15.36055 3.22508 -213.10361 1125.74383
1415.0000 -227.56186 -214.81943 12.74243 3.18906 -213.85342 1122.06571
1420.0000 -227.88662 -214.29441 13.59222 3.12238 -215.24184 1089.37866
1425.0000 -227.45210 -213.26822 14.18387 3.21037 -213.40988 1102.22258
1430.0000 -226.96060 -214.26706 12.69354 3.24553 -212.67776 1123.55311
1435.0000 -227.72290 -214.78306 12.93984 3.11706 -215.35254 1067.54602
1440.0000 -228.86359 -217.19424 11.66934 3.05964 -216.54806 1052.29258
1445.0000 -230.20382 -217.33873 12.86509 2.96969 -218.42086 965.10496
1450.0000 -228.33949 -216.85456 11.48494 3.07582 -216.21112 1051.32128
1455.0000 -228.06026 -216.25998 11.80028 3.10862 -215.52818 1061.12902
1460.0000 -225.22975 -214.35511 10.87464 3.15905 -214.47841 1080.83462
1465.0000 -226.87714 -212.76624 14.11090 3.19741 -213.67964 1138.07273
1470.0000 -229.51243 -215.38497 14.12745 3.16228 -214.41102 1132.21501
1475.0000 -230.22927 -214.94052 15.28874 3.12784 -215.12821 1061.40832
1480.0000 -227.18053 -214.33077 12.84976 3.17873 -214.06851 1138.86749
1485.0000 -226.18633 -213.00693 13.17940 3.17347 -214.17802 1085.32906
1490.0000 -225.62873 -211.53923 14.08951 3.23283 -212.94214 1144.87855
1495.0000 -231.36106 -218.32542 13.03564 3.10437 -215.61686 1081.84493
1500.0000 -229.84924 -218.24299 11.60624 2.93903 -219.05920 957.81379
FREEZING PROCESS: loop number 7 T-loop= 1054.0000000000000
main_MD> interactions number 7 at Temperature= 1054.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22990 0.63563 -0.22169
force_rgl> df(natom) -0.07964 2.46462 -3.43771
1505.0000 -228.86925 -215.06546 13.80378 3.04538 -216.84498 1044.00883
1510.0000 -230.00970 -217.73950 12.27020 3.01541 -217.46892 1021.45132
1515.0000 -228.46154 -216.47371 11.98783 3.08976 -215.92102 1064.11340
1520.0000 -228.98019 -215.20746 13.77272 3.09177 -215.87911 1015.01882
1525.0000 -228.04717 -215.05455 12.99262 3.13225 -215.03629 1077.05670
1530.0000 -227.01318 -213.83823 13.17494 3.16356 -214.38442 1121.33786
1535.0000 -228.39093 -214.43960 13.95133 3.17747 -214.09487 1071.18109
1540.0000 -227.47792 -213.07842 14.39950 3.17582 -214.12917 1119.36736
1545.0000 -228.81008 -214.42323 14.38685 3.14687 -214.73199 1086.95468
1550.0000 -226.89622 -212.15748 14.73874 3.14959 -214.67524 1083.00990
1555.0000 -225.44512 -209.80740 15.63772 3.35284 -210.44365 1245.66751
1560.0000 -226.85483 -212.42379 14.43104 3.21485 -213.31651 1132.32398
1565.0000 -226.70333 -214.76329 11.94004 3.19086 -213.81600 1137.53649
1570.0000 -227.88793 -214.25775 13.63018 3.11484 -215.39868 1060.56907
1575.0000 -225.42299 -213.31743 12.10556 3.20942 -213.42954 1125.94538
1580.0000 -229.61472 -216.56703 13.04769 3.15225 -214.61981 1088.93338
1585.0000 -230.77819 -218.12012 12.65806 2.99518 -217.89007 1006.00387
1590.0000 -227.73780 -214.25670 13.48109 3.13289 -215.02290 1074.81274
1595.0000 -229.68266 -216.16591 13.51675 3.12703 -215.14492 1089.33621
1600.0000 -227.78876 -214.86414 12.92462 3.11230 -215.45168 1069.24156
1605.0000 -228.45288 -216.00128 12.45160 3.10611 -215.58059 1078.10654
1610.0000 -228.08016 -214.58444 13.49572 3.10864 -215.52791 1053.14381
1615.0000 -229.91695 -216.29884 13.61811 3.09417 -215.82912 1055.72713
1620.0000 -228.48461 -216.66798 11.81663 3.03902 -216.97729 1042.25645
1625.0000 -230.72257 -219.76467 10.95790 2.99053 -217.98684 984.77273
1630.0000 -229.48199 -217.15140 12.33059 2.97195 -218.37376 1006.11733
1635.0000 -231.68531 -217.56417 14.12114 2.98234 -218.15753 994.66445
1640.0000 -227.60655 -214.35058 13.25597 3.06071 -216.52574 1055.49294
1645.0000 -227.73863 -214.75627 12.98236 3.18698 -213.89685 1092.55683
1650.0000 -230.45597 -220.00364 10.45233 3.05228 -216.70137 1020.16579
1655.0000 -231.87387 -218.12390 13.74997 2.96261 -218.56821 976.96034
1660.0000 -230.99927 -217.75226 13.24701 3.01425 -217.49302 1043.08408
1665.0000 -230.57159 -218.13926 12.43234 3.00804 -217.62239 997.92993
1670.0000 -228.69018 -218.89955 9.79063 2.94848 -218.86235 977.51085
1675.0000 -231.21287 -219.91097 11.30190 2.92226 -219.40837 937.98900
1680.0000 -230.28367 -217.03807 13.24561 3.00368 -217.71311 1015.85286
1685.0000 -228.92899 -217.45680 11.47219 3.00835 -217.61587 1002.22127
1690.0000 -230.59785 -216.11847 14.47938 3.02920 -217.18171 1041.07097
1695.0000 -227.10497 -214.28255 12.82242 3.15668 -214.52771 1100.17488
1700.0000 -227.36894 -215.65094 11.71800 3.12636 -215.15900 1093.29439
1705.0000 -227.56487 -215.62982 11.93505 3.11109 -215.47695 1057.59355
1710.0000 -226.95613 -212.52532 14.43081 3.13002 -215.08282 1057.36560
1715.0000 -228.62600 -215.93780 12.68820 3.14759 -214.71696 1100.72039
1720.0000 -231.98292 -218.82399 13.15894 3.05471 -216.65067 1047.04832
1725.0000 -230.82620 -216.13727 14.68893 3.04294 -216.89573 1007.85471
1730.0000 -228.39097 -215.68289 12.70808 3.11010 -215.49752 1070.72433
1735.0000 -230.00693 -216.14112 13.86581 3.13477 -214.98381 1093.86130
1740.0000 -228.53333 -215.72875 12.80459 3.06471 -216.44251 1074.48996
1745.0000 -227.16049 -213.68705 13.47344 3.09610 -215.78888 1043.19943
1750.0000 -228.65333 -214.96495 13.68837 3.20353 -213.55225 1143.91318
FREEZING PROCESS: loop number 8 T-loop= 1029.0000000000000
main_MD> interactions number 8 at Temperature= 1029.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06676 -0.77490 -0.19395
force_rgl> df(natom) -0.43782 0.22056 1.88013
1755.0000 -228.81922 -215.97310 12.84612 3.15518 -214.55888 1104.00343
1760.0000 -228.81946 -217.19059 11.62887 3.05343 -216.67730 1008.82256
1765.0000 -229.96736 -217.84836 12.11899 2.97399 -218.33135 983.08567
1770.0000 -228.75856 -215.45843 13.30013 3.03621 -217.03588 1018.19151
1775.0000 -229.53790 -214.53998 14.99792 3.15500 -214.56257 1102.35941
1780.0000 -230.40325 -218.86357 11.53969 3.06647 -216.40588 1040.56776
1785.0000 -230.53780 -219.80280 10.73500 2.95281 -218.77233 961.69648
1790.0000 -228.92335 -216.96619 11.95716 2.93384 -219.16721 971.93853
1795.0000 -227.51974 -213.90883 13.61091 3.09344 -215.84434 1039.97068
1800.0000 -228.03798 -215.90360 12.13439 3.12756 -215.13399 1084.89704
1805.0000 -228.92540 -216.05977 12.86563 3.04293 -216.89591 1039.79776
1810.0000 -229.48766 -216.64634 12.84132 3.06815 -216.37082 1032.86558
1815.0000 -229.84391 -218.07422 11.76969 2.99681 -217.85608 1004.78127
1820.0000 -228.11897 -215.60248 12.51649 3.06338 -216.47022 1055.24339
1825.0000 -228.73240 -216.61506 12.11733 3.05269 -216.69276 1007.17505
1830.0000 -226.32423 -212.78784 13.53639 3.14904 -214.68679 1061.89480
1835.0000 -228.00986 -214.34324 13.66662 3.18564 -213.92468 1113.07208
1840.0000 -229.63045 -215.30377 14.32668 3.11745 -215.34442 1061.36353
1845.0000 -232.05619 -220.02372 12.03248 2.98618 -218.07759 999.27201
1850.0000 -231.10901 -219.73205 11.37695 2.89696 -219.93502 922.16365
1855.0000 -231.14428 -219.20576 11.93852 2.91186 -219.62479 948.40746
1860.0000 -228.72853 -215.77217 12.95636 3.00786 -217.62602 1006.55430
1865.0000 -229.56294 -216.62640 12.93654 3.00905 -217.60131 1003.95448
1870.0000 -230.29200 -218.89259 11.39941 3.01705 -217.43480 1001.01561
1875.0000 -231.22775 -219.95305 11.27470 2.95134 -218.80294 975.49770
1880.0000 -227.81771 -215.65006 12.16766 2.99942 -217.80193 999.03471
1885.0000 -229.67894 -216.52677 13.15217 3.03351 -217.09205 1013.40845
1890.0000 -231.42998 -219.74036 11.68962 2.96410 -218.53728 993.57140
1895.0000 -230.01515 -217.79884 12.21630 2.94726 -218.88783 937.35487
1900.0000 -226.92735 -215.87350 11.05384 3.07984 -216.12751 1042.78644
1905.0000 -231.02809 -218.24353 12.78456 3.02516 -217.26589 998.56801
1910.0000 -228.36341 -215.38654 12.97687 3.01316 -217.51579 1021.39652
1915.0000 -229.40653 -217.77043 11.63610 3.03700 -217.01940 1026.70099
1920.0000 -231.63061 -218.12495 13.50566 2.99753 -217.84122 1028.95690
1925.0000 -230.92380 -219.59674 11.32706 2.92030 -219.44920 956.68990
1930.0000 -230.52280 -215.15907 15.36372 3.03337 -217.09491 1026.71468
1935.0000 -228.83662 -216.74788 12.08873 3.10670 -215.56816 1064.48445
1940.0000 -231.00511 -218.10630 12.89880 3.04636 -216.82453 1016.03359
1945.0000 -230.50306 -217.62639 12.87667 3.00958 -217.59026 1025.82794
1950.0000 -230.46626 -219.26124 11.20502 2.98271 -218.14981 1019.56316
1955.0000 -231.42739 -219.74804 11.67934 2.94521 -218.93052 983.50894
1960.0000 -229.29284 -216.17292 13.11992 3.01320 -217.51488 1003.20449
1965.0000 -228.85615 -216.56333 12.29282 3.03199 -217.12369 1017.28179
1970.0000 -228.74869 -215.82587 12.92283 3.09673 -215.77591 1063.74250
1975.0000 -231.18067 -217.12914 14.05153 3.08017 -216.12071 1059.09599
1980.0000 -230.13391 -218.25257 11.88135 2.93430 -219.15768 947.13842
1985.0000 -229.74447 -215.80119 13.94329 3.00752 -217.63325 999.80622
1990.0000 -227.44034 -215.44731 11.99303 3.05016 -216.74545 1039.32541
1995.0000 -227.98578 -215.04464 12.94114 3.11614 -215.37177 1059.13432
2000.0000 -229.04350 -215.59026 13.45324 3.14448 -214.78171 1099.92302
FREEZING PROCESS: loop number 9 T-loop= 1004.0000000000000
main_MD> interactions number 9 at Temperature= 1004.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.49646 1.59989 3.57704
force_rgl> df(natom) -0.77810 1.24875 0.61809
2005.0000 -230.34783 -215.13376 15.21407 3.12507 -215.18585 1092.81694
2010.0000 -226.80141 -214.38641 12.41500 3.14630 -214.74388 1088.05702
2015.0000 -229.89440 -218.45285 11.44156 3.08064 -216.11075 1052.91656
2020.0000 -229.27841 -217.09783 12.18058 2.95708 -218.68342 995.03274
2025.0000 -228.54683 -217.08721 11.45962 3.00138 -217.76102 1008.28917
2030.0000 -230.00077 -218.76805 11.23272 3.03847 -216.98874 1011.38922
2035.0000 -230.79603 -219.05054 11.74548 2.96326 -218.55475 983.90759
2040.0000 -228.24878 -215.58502 12.66376 2.98748 -218.05036 1010.27173
2045.0000 -227.04791 -214.54672 12.50119 3.22800 -213.04286 1121.44910
2050.0000 -225.93869 -214.88869 11.05000 3.14349 -214.80227 1105.03727
2055.0000 -228.61133 -216.86279 11.74854 3.09700 -215.77018 1076.82149
2060.0000 -229.97453 -217.48898 12.48555 3.02182 -217.33544 1026.45129
2065.0000 -230.23766 -218.44350 11.79416 3.00860 -217.61078 991.90220
2070.0000 -228.90912 -217.15152 11.75760 3.03419 -217.07796 1012.77586
2075.0000 -230.77933 -216.22288 14.55645 3.06736 -216.38731 1044.71015
2080.0000 -228.57646 -215.42047 13.15600 3.09517 -215.80826 1078.46818
2085.0000 -229.44663 -217.41258 12.03404 3.00595 -217.66586 1008.77362
2090.0000 -231.52566 -219.13779 12.38787 2.97765 -218.25505 1001.19595
2095.0000 -230.96589 -218.56164 12.40425 2.97966 -218.21320 1015.39114
2100.0000 -230.79059 -218.63701 12.15357 2.97520 -218.30609 980.38051
2105.0000 -230.45619 -219.06420 11.39199 2.99383 -217.91816 983.14889
2110.0000 -231.74492 -218.14405 13.60087 2.92302 -219.39259 946.42626
2115.0000 -231.15147 -218.45290 12.69857 2.97152 -218.38265 944.73397
2120.0000 -232.04735 -218.90695 13.14040 2.94840 -218.86405 999.57357
2125.0000 -229.97200 -217.96465 12.00736 2.96148 -218.59180 1000.90744
2130.0000 -230.26515 -216.59386 13.67129 3.02751 -217.21706 1020.40412
2135.0000 -230.08200 -217.07995 13.00205 3.09473 -215.81743 1088.77071
2140.0000 -232.70768 -222.26327 10.44441 2.98945 -218.00941 1017.03327
2145.0000 -234.56499 -222.96806 11.59693 2.76387 -222.70604 882.29192
2150.0000 -230.62828 -219.00285 11.62543 2.85065 -220.89929 873.16893
2155.0000 -229.98266 -216.45870 13.52396 3.00694 -217.64522 994.85936
2160.0000 -227.94701 -216.23385 11.71316 3.03324 -217.09778 1027.47212
2165.0000 -228.87608 -215.18336 13.69272 3.06930 -216.34687 1022.50244
2170.0000 -230.15778 -216.42531 13.73247 3.13024 -215.07821 1076.95539
2175.0000 -229.31670 -218.49336 10.82334 3.00585 -217.66790 1000.41046
2180.0000 -229.99697 -217.89466 12.10232 2.94216 -218.99405 955.87151
2185.0000 -229.15618 -218.09094 11.06524 2.97376 -218.33599 986.81574
2190.0000 -230.20819 -219.57868 10.62951 2.93804 -219.07969 960.94274
2195.0000 -230.92200 -219.05802 11.86397 2.92585 -219.33348 960.26235
2200.0000 -231.36619 -218.98040 12.38579 2.94536 -218.92738 948.17764
2205.0000 -231.00864 -217.03662 13.97201 3.00435 -217.69914 1014.59706
2210.0000 -228.25382 -215.63646 12.61736 3.08789 -215.95991 1069.13183
2215.0000 -227.19101 -214.78810 12.40291 3.13632 -214.95148 1118.78157
2220.0000 -230.62693 -216.51201 14.11492 3.11650 -215.36414 1078.86918
2225.0000 -228.77566 -218.54371 10.23195 3.04709 -216.80927 1021.70294
2230.0000 -229.80490 -219.27453 10.53037 2.98008 -218.20455 1003.89390
2235.0000 -228.88533 -215.70776 13.17757 3.01702 -217.43546 995.31218
2240.0000 -227.33787 -216.51625 10.82162 3.06637 -216.40785 1048.67564
2245.0000 -231.42272 -218.31019 13.11252 3.03444 -217.07264 1037.69924
2250.0000 -232.28796 -220.22242 12.06554 2.90470 -219.77382 967.14971
FREEZING PROCESS: loop number 10 T-loop= 979.00000000000000
main_MD> interactions number 10 at Temperature= 979.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.52784 2.61241 -2.79568
force_rgl> df(natom) -1.79913 -1.89855 -1.33165
2255.0000 -232.08353 -218.25828 13.82525 2.89379 -220.00116 943.77820
2260.0000 -231.03110 -219.36392 11.66718 2.97722 -218.26396 1004.47107
2265.0000 -233.86232 -222.84405 11.01827 2.88878 -220.10532 947.31255
2270.0000 -234.81565 -223.61952 11.19613 2.70864 -223.85595 815.37440
2275.0000 -230.01961 -218.55407 11.46554 2.79752 -222.00540 871.65841
2280.0000 -231.07962 -220.49141 10.58820 2.88483 -220.18760 945.00119
2285.0000 -229.85017 -218.68781 11.16235 2.91965 -219.46272 954.85017
2290.0000 -229.70981 -217.17928 12.53053 2.99275 -217.94066 993.18243
2295.0000 -229.84946 -218.39715 11.45230 2.99464 -217.90129 962.31807
2300.0000 -229.75683 -218.89573 10.86110 2.93603 -219.12152 958.87061
2305.0000 -228.52676 -216.31022 12.21654 2.99889 -217.81282 1011.19239
2310.0000 -228.58759 -216.37281 12.21479 3.01441 -217.48974 987.17339
2315.0000 -232.59266 -218.96996 13.62271 3.02488 -217.27171 1012.91128
2320.0000 -231.98791 -220.49734 11.49056 2.93628 -219.11641 951.50680
2325.0000 -230.76986 -220.65699 10.11287 2.83524 -221.22017 909.79023
2330.0000 -230.45897 -219.56520 10.89376 2.94808 -218.87068 970.49330
2335.0000 -230.91852 -219.70042 11.21810 2.89515 -219.97270 923.51230
2340.0000 -231.72101 -219.57512 12.14589 2.95974 -218.62789 1003.97611
2345.0000 -231.14005 -218.82268 12.31737 2.92290 -219.39494 980.46589
2350.0000 -229.62298 -218.25539 11.36759 2.97260 -218.36016 1003.04672
2355.0000 -228.72135 -216.98214 11.73921 3.01258 -217.52792 1004.08144
2360.0000 -230.13029 -216.17156 13.95874 3.03426 -217.07642 1028.71077
2365.0000 -229.88688 -215.94113 13.94576 3.08210 -216.08041 1056.28337
2370.0000 -229.66445 -216.46817 13.19628 3.09701 -215.76992 1049.05622
2375.0000 -230.46475 -218.95345 11.51129 3.05459 -216.65320 1032.56320
2380.0000 -230.64118 -218.64458 11.99659 2.93776 -219.08561 967.25537
2385.0000 -232.21922 -219.96524 12.25398 2.90215 -219.82707 971.78366
2390.0000 -228.99389 -218.60312 10.39077 2.90252 -219.81930 957.12349
2395.0000 -230.56075 -217.51505 13.04570 2.92340 -219.38448 962.12605
2400.0000 -227.74932 -213.58013 14.16919 3.11237 -215.45029 1062.27831
2405.0000 -228.87341 -216.03509 12.83832 3.09981 -215.71165 1056.12214
2410.0000 -228.59554 -216.73052 11.86502 3.03079 -217.14878 1000.29358
2415.0000 -228.71844 -216.42216 12.29628 3.06814 -216.37104 1027.67317
2420.0000 -228.53950 -217.63256 10.90694 2.99323 -217.93069 992.65780
2425.0000 -230.46644 -217.71895 12.74750 3.00484 -217.68889 1023.90926
2430.0000 -231.16792 -219.85996 11.30796 2.98434 -218.11584 997.82453
2435.0000 -227.03470 -214.62487 12.40983 3.05604 -216.62303 1039.20570
2440.0000 -229.51443 -217.93774 11.57668 3.08273 -216.06739 1031.41557
2445.0000 -230.41428 -217.13032 13.28396 3.03298 -217.10316 1036.60387
2450.0000 -230.93014 -218.36630 12.56383 2.99284 -217.93883 1007.75506
2455.0000 -229.75797 -217.53856 12.21941 3.03053 -217.15417 1016.19127
2460.0000 -230.38848 -217.76038 12.62810 2.95032 -218.82403 979.18944
2465.0000 -230.61854 -218.49393 12.12461 3.00149 -217.75880 1007.38362
2470.0000 -230.54475 -220.77021 9.77454 2.89897 -219.89330 928.48617
2475.0000 -229.88214 -216.98875 12.89339 2.98055 -218.19480 991.36468
2480.0000 -230.40648 -219.19423 11.21224 2.97959 -218.21470 995.22205
2485.0000 -232.42665 -221.79529 10.63136 2.93590 -219.12429 991.58779
2490.0000 -230.09444 -217.09276 13.00168 2.94454 -218.94436 963.53775
2495.0000 -230.55469 -218.11398 12.44071 2.99548 -217.88377 1007.73581
2500.0000 -231.75044 -221.01199 10.73845 2.88707 -220.14099 940.61450
FREEZING PROCESS: loop number 11 T-loop= 954.00000000000000
main_MD> interactions number 11 at Temperature= 954.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.37942 7.35146 -0.01507
force_rgl> df(natom) -1.06426 -3.06512 -2.65665
2505.0000 -231.34000 -218.45196 12.88804 2.90750 -219.71558 955.09998
2510.0000 -229.95289 -218.14898 11.80391 2.96553 -218.50734 991.65099
2515.0000 -230.23510 -216.99730 13.23780 2.95400 -218.74758 985.68691
2520.0000 -229.23034 -217.80725 11.42308 3.03004 -217.16443 1012.92376
2525.0000 -229.38147 -216.04790 13.33357 3.00592 -217.66659 1016.99931
2530.0000 -231.63051 -219.24491 12.38561 2.98146 -218.17576 973.61643
2535.0000 -231.45342 -219.43865 12.01477 2.94173 -219.00288 971.49636
2540.0000 -230.09600 -218.92520 11.17080 2.95653 -218.69479 971.32131
2545.0000 -230.80131 -219.78276 11.01855 2.93888 -219.06237 960.34165
2550.0000 -231.68709 -218.88440 12.80269 2.96343 -218.55113 974.96369
2555.0000 -230.11470 -219.11884 10.99585 2.94185 -219.00046 961.91635
2560.0000 -232.08310 -221.08249 11.00061 2.94950 -218.84117 977.34244
2565.0000 -230.39113 -218.08106 12.31007 2.93396 -219.16467 966.59848
2570.0000 -231.82317 -219.96411 11.85906 2.98694 -218.06162 1013.27152
2575.0000 -231.62614 -219.86944 11.75670 2.93807 -219.07921 983.66069
2580.0000 -231.63139 -218.37035 13.26104 2.93360 -219.17219 973.14809
2585.0000 -230.79889 -219.42916 11.36972 2.94347 -218.96675 969.12014
2590.0000 -230.60328 -220.56518 10.03809 2.85774 -220.75165 916.84830
2595.0000 -230.34088 -218.90734 11.43353 2.87506 -220.39109 939.50339
2600.0000 -232.56114 -220.04280 12.51834 2.89426 -219.99119 945.01888
2605.0000 -232.84085 -220.92295 11.91790 2.86732 -220.55211 931.72141
2610.0000 -233.87165 -223.25828 10.61338 2.77931 -222.38454 862.08521
2615.0000 -232.12298 -221.03816 11.08482 2.76759 -222.62864 860.94399
2620.0000 -230.62872 -219.65371 10.97501 2.86011 -220.70237 910.02194
2625.0000 -230.91158 -217.84527 13.06631 2.95424 -218.74248 960.39562
2630.0000 -230.69861 -219.22890 11.46971 2.96887 -218.43790 985.03615
2635.0000 -231.12214 -218.90477 12.21737 2.94002 -219.03861 960.91114
2640.0000 -232.07074 -221.60325 10.46749 2.88532 -220.17737 947.98271
2645.0000 -231.30349 -218.69335 12.61014 2.90443 -219.77963 935.36274
2650.0000 -233.02267 -218.97076 14.05191 2.91859 -219.48473 954.55666
2655.0000 -231.94478 -219.59545 12.34933 2.92912 -219.26550 979.49985
2660.0000 -229.63857 -218.33415 11.30441 2.95482 -218.73045 972.86683
2665.0000 -230.51954 -219.46567 11.05388 2.90061 -219.85911 919.49668
2670.0000 -233.82413 -222.60701 11.21712 2.86486 -220.60344 920.08824
2675.0000 -230.92207 -219.26404 11.65804 2.86301 -220.64198 931.88905
2680.0000 -229.34195 -219.27135 10.07061 2.93425 -219.15863 963.42468
2685.0000 -230.08109 -218.88106 11.20003 2.95830 -218.65803 997.79339
2690.0000 -231.25275 -221.33572 9.91703 2.90034 -219.86478 959.20274
2695.0000 -231.97032 -220.82654 11.14378 2.85157 -220.88003 916.30506
2700.0000 -233.05073 -222.44598 10.60475 2.79603 -222.03650 897.75776
2705.0000 -232.20436 -220.49421 11.71014 2.80224 -221.90704 882.00942
2710.0000 -232.87626 -221.57306 11.30321 2.85363 -220.83728 910.79357
2715.0000 -233.20316 -220.29498 12.90817 2.87033 -220.48940 930.05318
2720.0000 -232.87239 -221.02853 11.84386 2.83781 -221.16651 907.55076
2725.0000 -230.81150 -218.80515 12.00635 2.95177 -218.79389 962.60270
2730.0000 -229.79669 -220.17609 9.62060 2.91105 -219.64179 939.98845
2735.0000 -232.60988 -219.76158 12.84830 2.89922 -219.88802 947.88502
2740.0000 -232.88803 -221.25657 11.63146 2.89289 -220.01976 943.98894
2745.0000 -230.61011 -219.65647 10.95364 2.88223 -220.24168 931.60933
2750.0000 -232.02810 -220.19575 11.83235 2.90581 -219.75087 943.02128
FREEZING PROCESS: loop number 12 T-loop= 929.00000000000000
main_MD> interactions number 12 at Temperature= 929.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41323 3.14319 -5.51414
force_rgl> df(natom) -3.57047 -0.11198 -0.49092
2755.0000 -230.39416 -218.60393 11.79022 2.84462 -221.02486 936.70352
2760.0000 -231.89803 -220.10573 11.79231 2.90598 -219.74727 930.03125
2765.0000 -230.85383 -219.55039 11.30344 2.86988 -220.49895 933.32391
2770.0000 -232.02639 -221.29994 10.72645 2.84058 -221.10881 906.79662
2775.0000 -232.54044 -218.84968 13.69076 2.82678 -221.39629 921.43438
2780.0000 -228.64579 -217.48526 11.16053 2.96233 -218.57402 967.41025
2785.0000 -231.24834 -220.83698 10.41136 2.94169 -219.00370 968.66115
2790.0000 -230.45735 -219.68875 10.76860 2.87596 -220.37232 906.77763
2795.0000 -231.59414 -219.34708 12.24706 2.92483 -219.35483 964.07056
2800.0000 -232.20520 -218.80641 13.39879 2.95282 -218.77215 970.72163
2805.0000 -230.69335 -218.92482 11.76853 2.92659 -219.31819 967.09777
2810.0000 -231.26019 -220.58101 10.67918 2.87110 -220.47348 947.28401
2815.0000 -232.07583 -221.97334 10.10249 2.86395 -220.62225 900.86592
2820.0000 -232.52803 -220.39574 12.13229 2.87672 -220.35654 920.29810
2825.0000 -230.84760 -219.29596 11.55164 2.88459 -220.19254 945.60290
2830.0000 -233.79434 -223.58898 10.20536 2.80831 -221.78082 916.89451
2835.0000 -233.39107 -223.39139 9.99969 2.73842 -223.23597 854.06097
2840.0000 -233.73746 -224.48466 9.25280 2.75405 -222.91054 861.29718
2845.0000 -232.59019 -219.34912 13.24108 2.79884 -221.97788 884.17701
2850.0000 -229.54193 -218.43092 11.11101 2.97749 -218.25843 982.70373
2855.0000 -231.29233 -219.68896 11.60337 2.91301 -219.60093 932.64274
2860.0000 -230.12105 -219.03599 11.08506 2.95480 -218.73091 972.92404
2865.0000 -232.75698 -221.05585 11.70113 2.86005 -220.70345 947.87482
2870.0000 -230.51000 -218.93161 11.57839 2.88367 -220.21168 944.33143
2875.0000 -232.43609 -220.12804 12.30805 2.91473 -219.56515 956.35088
2880.0000 -229.94978 -218.65621 11.29357 2.94830 -218.86607 967.04371
2885.0000 -232.72617 -220.64351 12.08266 2.87809 -220.32784 918.54701
2890.0000 -232.70672 -221.72070 10.98602 2.83873 -221.14732 898.87502
2895.0000 -232.06392 -222.51758 9.54634 2.74588 -223.08049 827.50766
2900.0000 -231.77954 -221.25002 10.52952 2.75899 -222.80766 860.38437
2905.0000 -233.25943 -222.21416 11.04527 2.82094 -221.51790 889.96528
2910.0000 -232.38646 -219.94732 12.43914 2.85761 -220.75437 905.69153
2915.0000 -231.39961 -219.62855 11.77106 2.88006 -220.28689 928.00389
2920.0000 -231.59437 -220.81094 10.78342 2.91164 -219.62934 927.75730
2925.0000 -232.14981 -220.19878 11.95103 2.81704 -221.59894 902.67054
2930.0000 -232.82521 -220.14229 12.68293 2.87212 -220.45231 939.84106
2935.0000 -232.61172 -221.72291 10.88881 2.86690 -220.56087 953.94475
2940.0000 -233.22949 -222.63296 10.59653 2.80630 -221.82260 880.70605
2945.0000 -231.49565 -221.74949 9.74617 2.76918 -222.59548 840.57348
2950.0000 -233.41535 -222.14755 11.26779 2.80566 -221.83600 863.21327
2955.0000 -233.69760 -222.33577 11.36183 2.81370 -221.66863 873.82561
2960.0000 -232.14677 -222.70285 9.44392 2.78770 -222.20994 854.13873
2965.0000 -234.19941 -223.77269 10.42672 2.76168 -222.75160 850.48138
2970.0000 -232.62498 -220.35651 12.26847 2.82070 -221.52275 899.83870
2975.0000 -232.26023 -222.15684 10.10339 2.84193 -221.08074 913.47722
2980.0000 -232.08350 -221.16184 10.92166 2.77087 -222.56023 856.34305
2985.0000 -231.35277 -219.20236 12.15040 2.89738 -219.92627 942.04682
2990.0000 -228.26542 -217.55265 10.71277 2.97004 -218.41361 978.22272
2995.0000 -233.31110 -221.19022 12.12087 2.88615 -220.16020 942.44037
3000.0000 -233.30446 -222.27965 11.02482 2.81071 -221.73087 894.71098
FREEZING PROCESS: loop number 13 T-loop= 904.00000000000000
main_MD> interactions number 13 at Temperature= 904.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.83504 -0.12468 -0.18270
force_rgl> df(natom) 0.86444 0.26945 -1.69728
3005.0000 -233.75054 -221.81094 11.93960 2.78978 -222.16657 884.37382
3010.0000 -234.74974 -222.60972 12.14001 2.80582 -221.83269 897.21863
3015.0000 -233.96818 -223.10098 10.86721 2.79287 -222.10229 898.01211
3020.0000 -231.91305 -220.79380 11.11926 2.81687 -221.60259 896.06673
3025.0000 -231.96456 -221.30148 10.66309 2.79547 -222.04812 877.00428
3030.0000 -233.15628 -222.06334 11.09293 2.82429 -221.44798 899.28598
3035.0000 -231.70143 -220.61084 11.09059 2.83182 -221.29135 890.98547
3040.0000 -232.29358 -221.18132 11.11225 2.87386 -220.41598 929.75972
3045.0000 -232.63064 -222.67947 9.95118 2.79191 -222.12224 880.45842
3050.0000 -232.09370 -219.99612 12.09758 2.80759 -221.79572 882.32927
3055.0000 -231.73954 -220.38239 11.35716 2.87873 -220.31467 946.29046
3060.0000 -233.33417 -223.88063 9.45354 2.81027 -221.74004 896.56297
3065.0000 -231.49408 -221.36381 10.13027 2.81352 -221.67220 874.47517
3070.0000 -234.72403 -224.49748 10.22655 2.74946 -223.00609 846.97472
3075.0000 -233.77513 -223.64697 10.12816 2.72643 -223.48557 853.72281
3080.0000 -233.34166 -222.14714 11.19452 2.78139 -222.34116 872.96533
3085.0000 -232.07068 -220.57546 11.49522 2.80795 -221.78822 885.99399
3090.0000 -232.01501 -221.46282 10.55219 2.85651 -220.77722 904.91257
3095.0000 -232.38792 -219.98104 12.40688 2.86064 -220.69120 880.10343
3100.0000 -231.77867 -220.87775 10.90091 2.85981 -220.70861 914.53188
3105.0000 -231.77915 -220.61991 11.15924 2.85674 -220.77245 917.47618
3110.0000 -231.24752 -219.86586 11.38166 2.86884 -220.52051 915.14074
3115.0000 -229.38725 -219.90594 9.48131 2.86900 -220.51710 916.04321
3120.0000 -232.66962 -220.15396 12.51566 2.88387 -220.20758 948.59957
3125.0000 -232.31055 -220.61046 11.70009 2.86990 -220.49854 912.34024
3130.0000 -231.83887 -221.89654 9.94233 2.84642 -220.98723 903.43823
3135.0000 -230.81425 -219.52211 11.29214 2.85551 -220.79798 899.21108
3140.0000 -230.08833 -220.30898 9.77935 2.92285 -219.39607 961.07423
3145.0000 -229.75083 -218.54363 11.20720 2.92295 -219.39391 959.27096
3150.0000 -228.74723 -217.67979 11.06745 2.95431 -218.74096 962.57246
3155.0000 -231.83398 -219.87747 11.95651 2.96179 -218.58526 966.96183
3160.0000 -230.39037 -220.50231 9.88806 2.86350 -220.63172 927.39261
3165.0000 -230.40445 -218.85647 11.54798 2.94337 -218.96883 966.75711
3170.0000 -230.17292 -219.61928 10.55364 2.93368 -219.17058 982.76832
3175.0000 -232.88159 -222.21480 10.66679 2.85766 -220.75332 898.09270
3180.0000 -232.40046 -220.65646 11.74400 2.81711 -221.59745 888.20132
3185.0000 -231.00963 -220.28659 10.72304 2.83761 -221.17079 900.79524
3190.0000 -232.41513 -221.53605 10.87908 2.79280 -222.10359 887.12676
3195.0000 -228.51261 -218.72407 9.78854 2.88822 -220.11703 938.29937
3200.0000 -232.08830 -220.13943 11.94887 2.92673 -219.31527 947.02644
3205.0000 -230.52255 -218.78649 11.73606 2.84585 -220.99910 897.08677
3210.0000 -231.40687 -221.29543 10.11144 2.88985 -220.08315 927.62109
3215.0000 -233.87526 -223.23889 10.63637 2.76463 -222.69016 843.79260
3220.0000 -234.92020 -224.89090 10.02931 2.71725 -223.67670 833.81206
3225.0000 -234.23234 -223.72602 10.50632 2.67373 -224.58267 819.90283
3230.0000 -232.89358 -222.33897 10.55461 2.71228 -223.78007 825.94298
3235.0000 -231.86175 -222.31925 9.54249 2.77381 -222.49897 833.43171
3240.0000 -234.29797 -222.35709 11.94088 2.80242 -221.90345 879.67267
3245.0000 -231.23216 -220.54189 10.69027 2.84363 -221.04538 915.77086
3250.0000 -230.50774 -219.33270 11.17504 2.89001 -220.07974 914.11516
FREEZING PROCESS: loop number 14 T-loop= 879.00000000000000
main_MD> interactions number 14 at Temperature= 879.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85342 2.94026 3.09103
force_rgl> df(natom) 4.57077 0.26898 1.73177
3255.0000 -230.25742 -218.45502 11.80241 2.94838 -218.86458 931.19745
3260.0000 -234.63065 -223.51409 11.11655 2.82335 -221.46765 897.67261
3265.0000 -234.21124 -223.10220 11.10904 2.71605 -223.70162 824.65116
3270.0000 -232.54821 -222.18402 10.36419 2.76603 -222.66110 871.97043
3275.0000 -234.53085 -224.23332 10.29752 2.71766 -223.66801 828.10182
3280.0000 -233.01994 -221.66598 11.35397 2.71809 -223.65905 838.13489
3285.0000 -234.15596 -222.96484 11.19112 2.74893 -223.01700 861.10847
3290.0000 -233.99380 -224.21303 9.78076 2.74662 -223.06505 858.20058
3295.0000 -230.49587 -217.66582 12.83005 2.86931 -220.51080 933.48292
3300.0000 -232.04784 -220.39825 11.64959 2.90799 -219.70550 965.95027
3305.0000 -233.50738 -222.42379 11.08359 2.78515 -222.26296 857.85104
3310.0000 -234.49686 -223.00227 11.49458 2.78447 -222.27712 882.75890
3315.0000 -231.52567 -220.33777 11.18791 2.82485 -221.43643 910.57399
3320.0000 -230.71747 -220.39311 10.32435 2.90970 -219.66978 950.97629
3325.0000 -230.33659 -217.47081 12.86578 2.93893 -219.06132 956.71534
3330.0000 -233.28267 -220.19455 13.08813 2.90952 -219.67356 927.92549
3335.0000 -233.40465 -222.29487 11.10978 2.80923 -221.76169 890.32722
3340.0000 -232.82408 -221.94955 10.87453 2.79053 -222.15104 860.20762
3345.0000 -231.97802 -222.06665 9.91137 2.74391 -223.12147 870.38362
3350.0000 -234.70596 -224.51920 10.18676 2.76176 -222.75000 866.62614
3355.0000 -233.60297 -222.66754 10.93543 2.73936 -223.21632 857.53849
3360.0000 -233.72643 -222.52643 11.20000 2.78651 -222.23454 868.33340
3365.0000 -232.65659 -221.67696 10.97963 2.78277 -222.31244 881.76359
3370.0000 -232.55727 -221.53460 11.02266 2.82185 -221.49885 897.00155
3375.0000 -232.45442 -220.86233 11.59209 2.86018 -220.70078 927.35602
3380.0000 -233.16640 -223.09694 10.06946 2.84046 -221.11141 908.70515
3385.0000 -234.01219 -222.98500 11.02719 2.80025 -221.94850 902.16976
3390.0000 -234.10420 -223.05965 11.04455 2.75674 -222.85442 851.11788
3395.0000 -234.59734 -223.17311 11.42422 2.76519 -222.67842 870.64980
3400.0000 -231.97009 -221.55372 10.41637 2.77824 -222.40683 856.94101
3405.0000 -232.43924 -221.75628 10.68296 2.78611 -222.24293 877.96640
3410.0000 -233.02661 -222.71580 10.31081 2.77029 -222.57235 868.06712
3415.0000 -233.30129 -223.10206 10.19923 2.75805 -222.82710 863.69110
3420.0000 -235.69198 -225.79433 9.89766 2.68338 -224.38189 830.41031
3425.0000 -233.59614 -223.73289 9.86325 2.74165 -223.16862 848.00412
3430.0000 -234.97819 -224.79637 10.18181 2.70176 -223.99913 824.22188
3435.0000 -234.70011 -224.23848 10.46163 2.71234 -223.77888 839.18095
3440.0000 -233.93159 -224.33755 9.59404 2.67778 -224.49847 817.05819
3445.0000 -234.55194 -223.80519 10.74675 2.75269 -222.93883 851.95265
3450.0000 -232.69140 -222.93853 9.75287 2.71627 -223.69699 833.27601
3455.0000 -234.78767 -225.38166 9.40601 2.71809 -223.65910 838.19301
3460.0000 -233.80723 -224.10879 9.69845 2.64440 -225.19348 785.46276
3465.0000 -231.96018 -220.13590 11.82428 2.79881 -221.97856 862.05078
3470.0000 -232.03939 -222.01306 10.02633 2.86319 -220.63808 900.84839
3475.0000 -232.83641 -221.97671 10.85970 2.80472 -221.85555 874.90530
3480.0000 -233.31253 -221.84141 11.47113 2.81171 -221.70992 895.30994
3485.0000 -232.87681 -222.71663 10.16019 2.83508 -221.22340 886.56713
3490.0000 -232.76888 -222.72290 10.04597 2.74241 -223.15279 819.94874
3495.0000 -234.22354 -223.88981 10.33373 2.73335 -223.34144 840.91613
3500.0000 -232.86531 -223.05403 9.81127 2.77868 -222.39758 863.60769
FREEZING PROCESS: loop number 15 T-loop= 854.00000000000000
main_MD> interactions number 15 at Temperature= 854.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24803 -2.01720 0.60018
force_rgl> df(natom) -2.04179 4.47273 1.94562
3505.0000 -232.34327 -222.04000 10.30327 2.73930 -223.21748 823.48376
3510.0000 -232.14628 -221.61292 10.53337 2.80932 -221.75966 893.29393
3515.0000 -233.90933 -222.89742 11.01191 2.80896 -221.76726 893.93491
3520.0000 -233.12922 -222.31476 10.81446 2.76159 -222.75344 860.55223
3525.0000 -235.65054 -224.24912 11.40141 2.75291 -222.93415 860.70370
3530.0000 -234.81632 -224.53487 10.28145 2.67643 -224.52657 811.26025
3535.0000 -233.77577 -223.63634 10.13942 2.71756 -223.67019 858.15337
3540.0000 -234.89302 -224.84949 10.04353 2.69484 -224.14315 817.02952
3545.0000 -234.93510 -224.39705 10.53805 2.66851 -224.69148 804.49350
3550.0000 -233.89265 -223.87297 10.01968 2.72690 -223.47565 850.98881
3555.0000 -232.34426 -222.18346 10.16080 2.74088 -223.18458 845.59432
3560.0000 -234.16779 -222.31919 11.84860 2.79064 -222.14860 887.60735
3565.0000 -234.17518 -222.05143 12.12375 2.78042 -222.36150 872.36452
3570.0000 -233.30449 -223.01279 10.29170 2.75394 -222.91270 869.68422
3575.0000 -233.95526 -223.32622 10.62905 2.77609 -222.45159 869.41513
3580.0000 -233.93503 -224.53571 9.39932 2.69166 -224.20947 837.52388
3585.0000 -233.96501 -223.09216 10.87285 2.71216 -223.78254 836.16473
3590.0000 -234.86586 -224.16288 10.70298 2.77216 -222.53333 832.33560
3595.0000 -233.28585 -222.65582 10.63003 2.77277 -222.52079 853.10267
3600.0000 -232.32635 -222.90039 9.42595 2.75828 -222.82232 843.24662
3605.0000 -232.80561 -221.44646 11.35915 2.78130 -222.34312 875.16658
3610.0000 -232.15873 -223.61826 8.54046 2.79894 -221.97582 864.26628
3615.0000 -233.83990 -222.69115 11.14875 2.64764 -225.12585 754.03408
3620.0000 -233.54059 -223.26645 10.27413 2.80288 -221.89390 887.39751
3625.0000 -232.63468 -221.92774 10.70693 2.77958 -222.37902 858.76604
3630.0000 -232.36727 -221.65949 10.70778 2.78081 -222.35334 894.29430
3635.0000 -234.21953 -222.64788 11.57164 2.80507 -221.84826 908.88519
3640.0000 -231.80957 -222.43011 9.37945 2.78280 -222.31194 879.80575
3645.0000 -234.43875 -224.14988 10.28887 2.76238 -222.73707 857.71548
3650.0000 -234.02023 -222.78915 11.23107 2.71792 -223.66268 811.00906
3655.0000 -232.51898 -221.48642 11.03257 2.77410 -222.49309 877.08423
3660.0000 -232.99077 -222.67663 10.31414 2.80997 -221.74630 898.25083
3665.0000 -235.03553 -223.44102 11.59451 2.72167 -223.58459 840.23921
3670.0000 -234.66408 -224.01726 10.64682 2.73364 -223.33549 863.69614
3675.0000 -233.08252 -222.70487 10.37765 2.73892 -223.22544 830.54003
3680.0000 -233.57375 -223.39128 10.18247 2.76956 -222.58746 874.12299
3685.0000 -232.93790 -222.83024 10.10767 2.75628 -222.86398 858.49607
3690.0000 -233.73208 -222.95117 10.78091 2.76999 -222.57854 878.30889
3695.0000 -233.90921 -224.17261 9.73659 2.73760 -223.25296 848.97768
3700.0000 -231.77444 -221.38029 10.39414 2.79950 -221.96414 873.84912
3705.0000 -233.69769 -223.30249 10.39520 2.78042 -222.36134 866.66452
3710.0000 -234.90919 -223.91671 10.99247 2.72820 -223.44865 832.48327
3715.0000 -233.08296 -223.79600 9.28697 2.73235 -223.36223 802.83011
3720.0000 -234.02236 -224.16849 9.85387 2.75949 -222.79728 836.23567
3725.0000 -234.36537 -224.10623 10.25914 2.72737 -223.46599 840.29789
3730.0000 -233.33931 -223.33997 9.99933 2.72216 -223.57436 826.39288
3735.0000 -234.08125 -223.67956 10.40169 2.72685 -223.47685 844.69674
3740.0000 -233.09739 -223.56857 9.52882 2.70149 -224.00470 828.89111
3745.0000 -235.26984 -224.74816 10.52168 2.67640 -224.52707 808.70947
3750.0000 -234.36714 -223.85906 10.50807 2.75816 -222.82499 854.79991
FREEZING PROCESS: loop number 16 T-loop= 829.00000000000000
main_MD> interactions number 16 at Temperature= 829.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33697 -0.13888 -1.99254
force_rgl> df(natom) 1.51820 4.16965 0.82684
3755.0000 -234.12385 -223.69057 10.43328 2.68405 -224.36781 815.44596
3760.0000 -232.84396 -221.99967 10.84429 2.81276 -221.68810 899.04739
3765.0000 -234.83619 -225.76906 9.06713 2.69704 -224.09734 824.01167
3770.0000 -235.41469 -225.20927 10.20542 2.60035 -226.11040 754.74080
3775.0000 -234.59480 -225.65126 8.94354 2.62860 -225.52234 778.16510
3780.0000 -234.11601 -225.46832 8.64769 2.61412 -225.82382 786.98117
3785.0000 -235.68738 -225.94271 9.74467 2.66755 -224.71136 793.09537
3790.0000 -235.95838 -225.67389 10.28449 2.62701 -225.55534 771.40033
3795.0000 -235.23309 -225.78535 9.44774 2.63491 -225.39090 790.41217
3800.0000 -234.55286 -224.32686 10.22600 2.60153 -226.08601 763.35349
3805.0000 -235.59586 -225.11192 10.48393 2.66054 -224.85738 813.27366
3810.0000 -234.07883 -224.86140 9.21743 2.61750 -225.75350 781.53092
3815.0000 -232.77531 -223.05678 9.71852 2.66908 -224.67953 817.87075
3820.0000 -233.44979 -223.28490 10.16489 2.78087 -222.35196 877.43026
3825.0000 -234.39147 -224.75597 9.63550 2.66895 -224.68232 806.60022
3830.0000 -235.05931 -226.19106 8.86826 2.64932 -225.09101 791.00658
3835.0000 -233.56775 -223.47328 10.09447 2.66378 -224.78982 799.93274
3840.0000 -234.36917 -224.16204 10.20713 2.72057 -223.60742 859.92555
3845.0000 -234.97793 -225.09367 9.88426 2.65054 -225.06545 808.29568
3850.0000 -234.81612 -223.73554 11.08058 2.68347 -224.37997 794.25772
3855.0000 -233.10846 -224.30044 8.80802 2.66825 -224.69683 797.37850
3860.0000 -232.57729 -222.26778 10.30951 2.73610 -223.28408 845.95167
3865.0000 -235.10798 -225.43305 9.67493 2.72158 -223.58651 842.40038
3870.0000 -234.75024 -223.99778 10.75247 2.69080 -224.22727 810.61867
3875.0000 -232.27508 -221.44732 10.82776 2.76756 -222.62923 849.72388
3880.0000 -232.22213 -221.32605 10.89608 2.79721 -222.01195 889.43627
3885.0000 -233.76267 -223.39625 10.36642 2.79729 -222.01016 854.47976
3890.0000 -234.83531 -224.50686 10.32845 2.71293 -223.76666 821.05614
3895.0000 -230.89786 -222.23141 8.66644 2.73139 -223.38226 829.49636
3900.0000 -231.96124 -221.52133 10.43991 2.81876 -221.56320 897.54113
3905.0000 -232.58073 -221.34115 11.23958 2.78434 -222.27974 870.30191
3910.0000 -231.83801 -219.72776 12.11025 2.83663 -221.19109 908.64280
3915.0000 -232.65178 -222.27316 10.37862 2.82833 -221.36398 911.26907
3920.0000 -233.56100 -223.91587 9.64513 2.75504 -222.88989 849.40069
3925.0000 -234.38314 -224.80181 9.58134 2.67501 -224.55617 813.95686
3930.0000 -233.28592 -223.34800 9.93791 2.71223 -223.78121 818.94608
3935.0000 -232.67016 -222.40753 10.26263 2.73902 -223.22342 820.50998
3940.0000 -235.36976 -224.96971 10.40005 2.76649 -222.65148 875.09083
3945.0000 -231.81799 -219.52656 12.29143 2.77628 -222.44754 852.28784
3950.0000 -231.79843 -220.78376 11.01468 2.87359 -220.42164 932.51383
3955.0000 -234.27587 -222.07123 12.20464 2.76959 -222.58686 869.30410
3960.0000 -233.61083 -223.38000 10.23083 2.82786 -221.37376 879.76160
3965.0000 -233.42914 -223.25478 10.17435 2.77745 -222.42327 840.91260
3970.0000 -233.45004 -222.66186 10.78818 2.79312 -222.09694 853.02673
3975.0000 -233.49270 -222.27357 11.21913 2.76582 -222.66550 873.46304
3980.0000 -233.97964 -223.45459 10.52505 2.70660 -223.89827 821.70277
3985.0000 -234.45977 -223.76117 10.69860 2.71668 -223.68854 834.48550
3990.0000 -234.50039 -224.67986 9.82054 2.68716 -224.30318 814.43310
3995.0000 -235.60104 -226.33297 9.26807 2.64850 -225.10806 806.01365
4000.0000 -235.40533 -224.67596 10.72937 2.68796 -224.28646 820.16335
FREEZING PROCESS: loop number 17 T-loop= 804.00000000000000
main_MD> interactions number 17 at Temperature= 804.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.08134 1.31859 3.11034
force_rgl> df(natom) -1.54677 0.32981 -3.21912
4005.0000 -234.64873 -223.41264 11.23608 2.65199 -225.03528 803.69857
4010.0000 -233.32828 -221.83268 11.49560 2.77750 -222.42230 889.83130
4015.0000 -234.48793 -224.40375 10.08418 2.72722 -223.46904 836.61017
4020.0000 -235.46897 -226.85675 8.61222 2.61764 -225.75059 779.70765
4025.0000 -234.53658 -224.81813 9.71845 2.62265 -225.64611 774.43009
4030.0000 -234.97248 -223.90949 11.06299 2.68507 -224.34661 813.58742
4035.0000 -236.33740 -225.66220 10.67520 2.66222 -224.82240 781.06109
4040.0000 -234.31775 -225.45703 8.86072 2.66880 -224.68547 824.24565
4045.0000 -236.20639 -225.54068 10.66570 2.62261 -225.64712 769.04977
4050.0000 -235.08968 -226.29952 8.79016 2.61824 -225.73807 772.53351
4055.0000 -234.68289 -224.57309 10.10980 2.65380 -224.99761 782.85302
4060.0000 -235.94641 -227.20066 8.74575 2.57838 -226.56799 732.40325
4065.0000 -235.44818 -226.25038 9.19780 2.61762 -225.75096 776.42109
4070.0000 -234.27910 -225.19225 9.08684 2.62103 -225.68002 774.90374
4075.0000 -234.94538 -223.71427 11.23112 2.67764 -224.50139 812.47853
4080.0000 -231.99536 -222.95658 9.03878 2.72558 -223.50314 829.05677
4085.0000 -233.66000 -225.23101 8.42899 2.67836 -224.48623 802.24094
4090.0000 -234.41560 -224.72420 9.69140 2.60205 -226.07519 754.91634
4095.0000 -234.59767 -223.65840 10.93927 2.68618 -224.32356 819.58919
4100.0000 -233.48483 -223.19351 10.29132 2.71904 -223.63944 826.85131
4105.0000 -234.01701 -222.23228 11.78473 2.77880 -222.39507 881.91434
4110.0000 -233.55124 -224.21589 9.33535 2.75811 -222.82601 871.03222
4115.0000 -232.37134 -223.31961 9.05173 2.71030 -223.82128 813.83556
4120.0000 -234.61918 -225.29275 9.32643 2.67940 -224.46473 822.36849
4125.0000 -234.39410 -225.04740 9.34670 2.65215 -225.03194 775.08782
4130.0000 -236.14746 -226.26789 9.87957 2.63268 -225.43729 801.83546
4135.0000 -236.30759 -226.96608 9.34151 2.56531 -226.84000 728.98073
4140.0000 -235.42332 -226.71877 8.70455 2.58240 -226.48427 747.49832
4145.0000 -235.89697 -227.80278 8.09419 2.54746 -227.21173 714.57558
4150.0000 -235.24400 -224.24257 11.00144 2.61082 -225.89243 768.51371
4155.0000 -234.04956 -225.55475 8.49481 2.70419 -223.94858 828.00159
4160.0000 -235.63894 -225.44876 10.19017 2.63281 -225.43468 771.36359
4165.0000 -235.04319 -226.41735 8.62583 2.61177 -225.87283 761.68036
4170.0000 -235.69203 -227.32179 8.37024 2.58839 -226.35944 746.74106
4175.0000 -236.59840 -227.37817 9.22023 2.58171 -226.49862 744.84135
4180.0000 -236.23130 -227.86380 8.36751 2.53532 -227.46439 728.56392
4185.0000 -234.93748 -225.57078 9.36671 2.58954 -226.33567 757.56821
4190.0000 -236.34315 -225.59173 10.75142 2.62740 -225.54732 775.86546
4195.0000 -234.58191 -224.29497 10.28694 2.62375 -225.62324 783.18280
4200.0000 -234.53689 -225.64301 8.89388 2.62585 -225.57953 769.52185
4205.0000 -235.32075 -225.35896 9.96179 2.68495 -224.34903 802.14743
4210.0000 -235.35851 -226.82257 8.53594 2.61101 -225.88853 761.67462
4215.0000 -236.64078 -225.31929 11.32149 2.62362 -225.62611 778.64961
4220.0000 -234.06717 -224.25146 9.81570 2.66595 -224.74471 781.01976
4225.0000 -234.74863 -224.70139 10.04724 2.68558 -224.33602 823.20085
4230.0000 -233.88228 -224.76694 9.11534 2.67900 -224.47293 812.99941
4235.0000 -235.00426 -225.51677 9.48749 2.66783 -224.70566 822.94801
4240.0000 -236.26403 -227.22800 9.03603 2.55822 -226.98768 739.43751
4245.0000 -234.66290 -223.21201 11.45089 2.64107 -225.26270 795.13244
4250.0000 -233.30779 -223.53058 9.77720 2.69387 -224.16343 805.73363
FREEZING PROCESS: loop number 18 T-loop= 779.00000000000000
main_MD> interactions number 18 at Temperature= 779.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58361 -0.57958 0.02590
force_rgl> df(natom) 1.80742 -1.59655 -2.21196
4255.0000 -235.59681 -225.78294 9.81387 2.71324 -223.76012 812.21577
4260.0000 -234.28622 -222.83665 11.44957 2.69385 -224.16381 815.63085
4265.0000 -233.01946 -222.57010 10.44936 2.74008 -223.20128 837.38862
4270.0000 -231.13624 -222.36129 8.77495 2.78172 -222.33442 830.87630
4275.0000 -233.16207 -223.58929 9.57278 2.73448 -223.31781 824.21517
4280.0000 -234.09450 -225.92089 8.17361 2.66506 -224.76320 791.86797
4285.0000 -233.77322 -225.71643 8.05680 2.64860 -225.10599 773.26355
4290.0000 -235.42165 -226.63403 8.78762 2.58040 -226.52587 751.01212
4295.0000 -235.18508 -225.50831 9.67677 2.58824 -226.36255 765.23631
4300.0000 -235.28055 -224.96449 10.31605 2.63718 -225.34374 801.94177
4305.0000 -235.70688 -225.55237 10.15451 2.61384 -225.82961 759.59650
4310.0000 -236.26180 -226.20565 10.05615 2.61965 -225.70860 783.95651
4315.0000 -233.76427 -225.19494 8.56933 2.62127 -225.67485 763.48887
4320.0000 -233.52758 -223.94741 9.58018 2.66649 -224.73354 803.37334
4325.0000 -235.65706 -225.96577 9.69129 2.64746 -225.12971 789.38531
4330.0000 -235.09473 -224.76069 10.33404 2.61409 -225.82447 766.83701
4335.0000 -235.12106 -225.69851 9.42255 2.63956 -225.29418 807.87952
4340.0000 -234.52608 -225.26179 9.26428 2.62883 -225.51745 779.36777
4345.0000 -235.07949 -225.08807 9.99142 2.66898 -224.68167 795.56375
4350.0000 -234.70199 -224.27371 10.42828 2.65349 -225.00405 807.34751
4355.0000 -234.64908 -224.05680 10.59227 2.67920 -224.46882 818.87399
4360.0000 -233.51233 -223.29223 10.22011 2.71314 -223.76223 842.45044
4365.0000 -234.98588 -225.59961 9.38627 2.68758 -224.29433 802.54518
4370.0000 -232.97392 -222.92664 10.04728 2.68269 -224.39608 800.48809
4375.0000 -236.03124 -225.58112 10.45012 2.69483 -224.14349 810.61617
4380.0000 -234.67946 -224.15196 10.52750 2.69801 -224.07716 846.86740
4385.0000 -234.90696 -224.52510 10.38186 2.68810 -224.28350 811.18048
4390.0000 -234.86161 -225.25500 9.60661 2.68154 -224.42020 808.51130
4395.0000 -234.68639 -225.47282 9.21357 2.63857 -225.31483 798.10006
4400.0000 -235.55636 -227.09268 8.46368 2.54284 -227.30785 738.13305
4405.0000 -235.24979 -225.91098 9.33881 2.58874 -226.35219 768.66112
4410.0000 -236.14782 -227.45169 8.69613 2.58445 -226.44151 743.36695
4415.0000 -236.63588 -228.04719 8.58869 2.54004 -227.36625 723.74967
4420.0000 -235.90955 -228.25727 7.65228 2.49279 -228.34985 685.34419
4425.0000 -235.76858 -227.74222 8.02636 2.52616 -227.65524 721.13325
4430.0000 -237.14050 -228.28564 8.85486 2.52164 -227.74927 722.70769
4435.0000 -235.96851 -227.69614 8.27236 2.52535 -227.67202 702.75407
4440.0000 -235.77857 -226.53189 9.24668 2.53487 -227.47378 738.61875
4445.0000 -237.01855 -226.96475 10.05380 2.54116 -227.34293 748.32833
4450.0000 -235.69769 -226.33649 9.36120 2.60231 -226.06977 784.33307
4455.0000 -237.53859 -228.03247 9.50612 2.55653 -227.02291 728.51542
4460.0000 -235.96678 -226.62343 9.34335 2.53945 -227.37853 733.66953
4465.0000 -234.69948 -224.96678 9.73271 2.63099 -225.47260 804.98769
4470.0000 -235.14131 -224.85888 10.28243 2.64889 -225.09997 808.16616
4475.0000 -235.60796 -224.44533 11.16263 2.59882 -226.14238 769.42529
4480.0000 -234.76416 -224.90446 9.85970 2.68283 -224.39330 813.12557
4485.0000 -234.16265 -224.67125 9.49140 2.66991 -224.66232 810.44807
4490.0000 -235.45862 -225.48138 9.97724 2.64311 -225.22019 802.85926
4495.0000 -235.23843 -225.79501 9.44342 2.65202 -225.03473 811.65509
4500.0000 -236.97708 -225.62873 11.34835 2.56820 -226.77985 753.02574
FREEZING PROCESS: loop number 19 T-loop= 754.00000000000000
main_MD> interactions number 19 at Temperature= 754.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.31452 1.14624 -1.93240
force_rgl> df(natom) -0.48300 3.48271 -1.34213
4505.0000 -235.58665 -227.20810 8.37856 2.56784 -226.78730 739.29581
4510.0000 -234.09101 -225.76068 8.33033 2.57502 -226.63794 752.96726
4515.0000 -236.00308 -227.32868 8.67440 2.58809 -226.36578 764.85703
4520.0000 -236.25811 -227.24371 9.01439 2.54459 -227.27142 750.15333
4525.0000 -236.92427 -226.89483 10.02944 2.54743 -227.21224 748.54110
4530.0000 -233.91594 -225.67409 8.24184 2.58865 -226.35408 769.42107
4535.0000 -236.06883 -226.41562 9.65321 2.56811 -226.78171 738.87226
4540.0000 -235.14189 -225.87721 9.26467 2.61418 -225.82253 785.79794
4545.0000 -235.73717 -225.79017 9.94700 2.58941 -226.33832 769.05636
4550.0000 -236.11362 -226.81994 9.29368 2.62425 -225.61300 784.63966
4555.0000 -236.01036 -226.83141 9.17895 2.58664 -226.39593 759.63235
4560.0000 -234.70363 -225.26729 9.43634 2.62690 -225.55770 788.26469
4565.0000 -236.86268 -226.84497 10.01770 2.60402 -226.03410 761.48608
4570.0000 -236.52808 -227.51641 9.01167 2.59032 -226.31940 751.18739
4575.0000 -236.13448 -226.71957 9.41490 2.53902 -227.38750 722.86910
4580.0000 -235.96353 -226.50376 9.45977 2.57154 -226.71034 751.97132
4585.0000 -236.32426 -227.83580 8.48845 2.52645 -227.64906 725.76230
4590.0000 -235.73809 -226.43705 9.30104 2.53995 -227.36812 717.09963
4595.0000 -234.36449 -225.54688 8.81761 2.59437 -226.23491 747.70031
4600.0000 -235.47787 -226.47168 9.00619 2.63844 -225.31740 784.16822
4605.0000 -235.39298 -226.29285 9.10014 2.55131 -227.13145 719.24965
4610.0000 -236.65954 -227.96482 8.69472 2.50997 -227.99218 700.76316
4615.0000 -235.72683 -225.60286 10.12397 2.59562 -226.20906 775.15157
4620.0000 -233.35334 -222.91896 10.43438 2.67265 -224.60531 789.29607
4625.0000 -235.47574 -225.65798 9.81776 2.63925 -225.30054 786.27648
4630.0000 -236.13142 -226.69290 9.43851 2.58635 -226.40207 739.76581
4635.0000 -237.11574 -227.75012 9.36562 2.56945 -226.75383 750.74375
4640.0000 -237.64226 -228.85072 8.79154 2.51628 -227.86095 698.56985
4645.0000 -235.07451 -226.95590 8.11860 2.58632 -226.40254 756.03603
4650.0000 -235.58083 -227.68587 7.89496 2.54387 -227.28652 720.18371
4655.0000 -237.53809 -228.10363 9.43447 2.48627 -228.48566 700.74097
4660.0000 -234.06662 -224.27796 9.78866 2.57111 -226.71927 756.62639
4665.0000 -234.79988 -224.79341 10.00647 2.67062 -224.64743 803.25557
4670.0000 -234.65931 -225.29780 9.36151 2.64603 -225.15949 800.84277
4675.0000 -234.41046 -224.31216 10.09831 2.63030 -225.48690 758.05717
4680.0000 -234.30142 -224.60018 9.70124 2.63624 -225.36333 778.35401
4685.0000 -236.33736 -226.04636 10.29100 2.61498 -225.80594 752.26851
4690.0000 -235.02794 -224.95139 10.07655 2.58713 -226.38584 760.07234
4695.0000 -234.83608 -224.89988 9.93620 2.67193 -224.62028 807.93044
4700.0000 -236.65494 -225.88551 10.76943 2.64516 -225.17760 792.43967
4705.0000 -236.38849 -227.39635 8.99214 2.51919 -227.80033 720.84313
4710.0000 -236.05410 -227.58833 8.46577 2.57648 -226.60755 750.77011
4715.0000 -235.91325 -227.53420 8.37904 2.52201 -227.74149 705.24693
4720.0000 -234.97355 -225.85028 9.12327 2.59676 -226.18518 759.57095
4725.0000 -234.71917 -225.50422 9.21494 2.64790 -225.12056 779.67036
4730.0000 -235.85222 -226.23914 9.61308 2.64144 -225.25507 794.01702
4735.0000 -234.90855 -224.91019 9.99837 2.63189 -225.45379 785.14929
4740.0000 -235.74522 -225.69701 10.04821 2.63336 -225.42327 775.78797
4745.0000 -235.73382 -226.43698 9.29684 2.58641 -226.40069 745.87202
4750.0000 -236.02517 -225.40954 10.61563 2.57654 -226.60625 743.72733
FREEZING PROCESS: loop number 20 T-loop= 729.00000000000000
main_MD> interactions number 20 at Temperature= 729.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.32322 2.87034 1.29151
force_rgl> df(natom) 1.32075 -3.01012 0.99495
4755.0000 -236.24717 -227.53606 8.71110 2.56520 -226.84233 752.88602
4760.0000 -235.41127 -224.94853 10.46274 2.60055 -226.10643 773.47001
4765.0000 -236.74780 -227.72405 9.02375 2.59111 -226.30285 765.91535
4770.0000 -234.38017 -225.38218 8.99799 2.53942 -227.37917 708.67022
4775.0000 -236.55041 -228.73130 7.81911 2.50958 -228.00034 675.05298
4780.0000 -234.95529 -226.52189 8.43341 2.51690 -227.84789 722.24168
4785.0000 -235.28054 -226.49998 8.78056 2.61197 -225.86856 773.27975
4790.0000 -236.79790 -228.24670 8.55121 2.54268 -227.31115 708.91325
4795.0000 -237.19843 -228.10446 9.09397 2.55269 -227.10278 725.91896
4800.0000 -235.83733 -227.49760 8.33973 2.52169 -227.74825 699.98276
4805.0000 -236.07730 -226.70879 9.36851 2.51130 -227.96455 697.79393
4810.0000 -236.08369 -225.83692 10.24677 2.56262 -226.89609 724.57944
4815.0000 -233.70782 -224.55179 9.15603 2.63139 -225.46428 759.00514
4820.0000 -235.28193 -226.47055 8.81139 2.62486 -225.60016 764.46055
4825.0000 -236.15154 -226.70641 9.44513 2.58523 -226.42532 772.66771
4830.0000 -236.87309 -226.13100 10.74210 2.62020 -225.69720 794.10125
4835.0000 -235.29447 -226.47430 8.82017 2.57251 -226.69017 738.41551
4840.0000 -236.77717 -227.48839 9.28878 2.55251 -227.10655 727.04863
4845.0000 -235.93724 -227.51946 8.41778 2.56302 -226.88762 744.63734
4850.0000 -236.13046 -227.18176 8.94870 2.51081 -227.97478 700.87298
4855.0000 -235.29501 -226.46722 8.82779 2.53872 -227.39364 723.82601
4860.0000 -234.61101 -226.35286 8.25814 2.60073 -226.10256 753.18096
4865.0000 -236.49524 -227.93467 8.56057 2.53394 -227.49325 731.15006
4870.0000 -236.36060 -227.97993 8.38066 2.47612 -228.69703 705.51346
4875.0000 -236.01482 -225.72023 10.29459 2.58415 -226.44777 765.37536
4880.0000 -234.12328 -225.18629 8.93700 2.56758 -226.79280 743.97630
4885.0000 -233.97575 -224.35473 9.62103 2.61933 -225.71535 768.95197
4890.0000 -235.17054 -225.65046 9.52007 2.66195 -224.82803 800.25026
4895.0000 -234.79618 -225.76563 9.03055 2.65049 -225.06651 764.06559
4900.0000 -236.22495 -227.36359 8.86136 2.56514 -226.84356 740.33677
4905.0000 -236.22127 -227.14071 9.08056 2.57456 -226.64737 754.66814
4910.0000 -236.35870 -226.17570 10.18300 2.57706 -226.59536 736.90597
4915.0000 -234.98207 -225.58852 9.39354 2.64223 -225.23863 776.94851
4920.0000 -236.43151 -227.66356 8.76795 2.56163 -226.91674 733.21700
4925.0000 -238.38408 -229.54913 8.83495 2.48359 -228.54155 692.29308
4930.0000 -237.78437 -228.97335 8.81102 2.48130 -228.58908 720.81593
4935.0000 -236.60957 -228.37707 8.23250 2.49167 -228.37324 702.09489
4940.0000 -235.95362 -227.59962 8.35400 2.52331 -227.71445 707.42680
4945.0000 -237.05233 -228.37272 8.67961 2.51859 -227.81270 716.86668
4950.0000 -236.14458 -227.29267 8.85191 2.51255 -227.93861 716.69406
4955.0000 -236.07231 -229.22243 6.84988 2.49189 -228.36869 695.84446
4960.0000 -238.68784 -229.36965 9.31819 2.46519 -228.92459 667.61117
4965.0000 -236.84843 -227.94334 8.90509 2.48267 -228.56069 698.76575
4970.0000 -235.52952 -226.79942 8.73009 2.55118 -227.13432 736.65655
4975.0000 -236.18452 -227.57850 8.60602 2.55009 -227.15698 748.27076
4980.0000 -236.08081 -228.25157 7.82924 2.49103 -228.38645 687.31751
4985.0000 -237.76495 -229.09838 8.66657 2.45644 -229.10678 690.86516
4990.0000 -235.62300 -227.73260 7.89040 2.52639 -227.65045 721.77171
4995.0000 -235.68470 -227.75239 7.93230 2.53404 -227.49112 716.55806
5000.0000 -238.60740 -229.13042 9.47698 2.50289 -228.13969 713.62380
FREEZING PROCESS: loop number 21 T-loop= 704.00000000000000
main_MD> interactions number 21 at Temperature= 704.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38462 1.20426 -6.76720
force_rgl> df(natom) -1.82327 1.94797 -1.10933
5005.0000 -238.59797 -230.83039 7.76758 2.43042 -229.64841 672.01753
5010.0000 -236.90967 -228.64557 8.26410 2.45123 -229.21518 691.28438
5015.0000 -238.40002 -230.04186 8.35816 2.42189 -229.82615 663.47597
5020.0000 -236.91632 -228.20336 8.71296 2.49568 -228.28979 715.04564
5025.0000 -237.06930 -229.11205 7.95725 2.48607 -228.48982 705.87436
5030.0000 -237.14969 -227.86300 9.28669 2.47078 -228.80812 672.49776
5035.0000 -235.55856 -227.01447 8.54409 2.51180 -227.95414 718.19374
5040.0000 -235.89349 -226.14146 9.75203 2.54494 -227.26408 712.95824
5045.0000 -236.62724 -229.20572 7.42153 2.52367 -227.70709 728.49203
5050.0000 -237.13829 -229.88638 7.25191 2.47556 -228.70864 685.03526
5055.0000 -236.08908 -226.79957 9.28951 2.54427 -227.27814 706.52578
5060.0000 -235.87063 -227.59701 8.27361 2.53518 -227.46737 726.73641
5065.0000 -237.21665 -228.35712 8.85953 2.48270 -228.55994 680.06048
5070.0000 -236.75851 -228.98048 7.77803 2.49289 -228.34789 703.88089
5075.0000 -236.96519 -227.64345 9.32174 2.51640 -227.85835 687.79611
5080.0000 -235.61557 -228.86055 6.75502 2.48753 -228.45951 660.84869
5085.0000 -236.09114 -227.20957 8.88157 2.50275 -228.14262 690.13975
5090.0000 -236.95323 -228.45999 8.49324 2.47102 -228.80322 682.70497
5095.0000 -236.49428 -227.60909 8.88518 2.48509 -228.51023 691.94951
5100.0000 -237.22606 -227.70313 9.52293 2.50280 -228.14141 745.04037
5105.0000 -235.83735 -227.23815 8.59919 2.57021 -226.73795 765.50134
5110.0000 -237.93128 -227.91037 10.02091 2.53075 -227.55949 726.40266
5115.0000 -237.60744 -227.88557 9.72187 2.54912 -227.17702 749.54725
5120.0000 -236.39600 -227.60370 8.79230 2.56973 -226.74795 763.01569
5125.0000 -236.73700 -227.27323 9.46377 2.55817 -226.98877 752.95665
5130.0000 -236.72778 -227.80282 8.92495 2.52723 -227.63290 729.27210
5135.0000 -237.17881 -226.69800 10.48081 2.47524 -228.71535 681.30028
5140.0000 -238.34059 -228.41958 9.92101 2.54660 -227.22960 722.86840
5145.0000 -238.35377 -229.50631 8.84746 2.46218 -228.98712 685.41905
5150.0000 -237.49019 -229.68767 7.80252 2.40874 -230.09981 638.29532
5155.0000 -236.66158 -228.14332 8.51826 2.49739 -228.25405 690.34938
5160.0000 -237.34766 -228.86548 8.48218 2.46182 -228.99473 687.35258
5165.0000 -237.29438 -227.85959 9.43479 2.50607 -228.07336 713.27188
5170.0000 -235.74497 -226.52926 9.21571 2.53864 -227.39523 715.70849
5175.0000 -237.98090 -229.69859 8.28230 2.51812 -227.82245 700.81772
5180.0000 -235.81339 -227.92441 7.88898 2.46727 -228.88125 665.89049
5185.0000 -235.85057 -227.23444 8.61614 2.51942 -227.79546 685.80670
5190.0000 -237.60108 -229.06527 8.53582 2.46991 -228.82624 678.47773
5195.0000 -237.20944 -229.39902 7.81042 2.45614 -229.11290 664.57882
5200.0000 -237.14231 -228.34311 8.79920 2.43636 -229.52481 656.84860
5205.0000 -236.67007 -229.27594 7.39413 2.49012 -228.40555 683.64912
5210.0000 -237.52707 -228.41706 9.11001 2.45491 -229.13859 676.02151
5215.0000 -237.21019 -229.02724 8.18295 2.49858 -228.22945 711.02169
5220.0000 -238.14630 -229.62709 8.51921 2.43694 -229.51268 658.67697
5225.0000 -237.28305 -228.07347 9.20958 2.47376 -228.74621 693.86938
5230.0000 -236.24650 -228.20625 8.04025 2.50299 -228.13759 712.96560
5235.0000 -235.62810 -228.22601 7.40209 2.48454 -228.52158 704.32902
5240.0000 -236.91277 -228.01329 8.89948 2.50107 -228.17759 688.94143
5245.0000 -236.42686 -228.23433 8.19253 2.52273 -227.72656 717.72210
5250.0000 -236.57067 -228.42591 8.14477 2.49343 -228.33652 694.72382
FREEZING PROCESS: loop number 22 T-loop= 679.00000000000000
main_MD> interactions number 22 at Temperature= 679.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.01480 1.57596 -1.73329
force_rgl> df(natom) -3.52885 -2.46935 1.46319
5255.0000 -236.59015 -228.21045 8.37971 2.50680 -228.05820 713.42473
5260.0000 -238.78715 -229.45186 9.33529 2.46004 -229.03176 675.12394
5265.0000 -236.43849 -228.45676 7.98173 2.45295 -229.17932 669.52272
5270.0000 -235.24049 -227.11714 8.12334 2.48402 -228.53244 703.08625
5275.0000 -235.51832 -226.05146 9.46686 2.54530 -227.25661 750.37742
5280.0000 -235.61263 -227.12644 8.48618 2.56907 -226.76168 724.94234
5285.0000 -237.27341 -227.20926 10.06415 2.56890 -226.76530 750.42534
5290.0000 -235.80680 -227.23243 8.57437 2.53894 -227.38906 741.00167
5295.0000 -237.17800 -228.32192 8.85609 2.59348 -226.25359 758.10574
5300.0000 -237.63689 -228.69581 8.94108 2.50760 -228.04165 713.81093
5305.0000 -237.81147 -230.17459 7.63689 2.44748 -229.29327 662.53909
5310.0000 -239.01991 -230.06542 8.95450 2.43414 -229.57109 656.57768
5315.0000 -238.44016 -228.69250 9.74765 2.44817 -229.27893 671.29420
5320.0000 -239.48260 -232.15377 7.32883 2.41107 -230.05141 659.74716
5325.0000 -238.09030 -230.31719 7.77311 2.35262 -231.26817 629.98603
5330.0000 -236.55564 -228.02808 8.52756 2.46838 -228.85818 660.35460
5335.0000 -236.01210 -228.10910 7.90300 2.55845 -226.98290 742.99846
5340.0000 -236.03721 -226.55174 9.48547 2.54028 -227.36123 733.54765
5345.0000 -236.03871 -227.57054 8.46817 2.56024 -226.94556 714.48483
5350.0000 -237.28908 -230.27566 7.01342 2.45982 -229.03628 659.54311
5355.0000 -238.75051 -230.65539 8.09512 2.39833 -230.31649 631.86746
5360.0000 -236.43506 -227.50907 8.92599 2.43669 -229.51793 653.11231
5365.0000 -236.32357 -227.65986 8.66371 2.53944 -227.37868 721.14153
5370.0000 -236.86469 -229.99718 6.86750 2.45870 -229.05964 679.32303
5375.0000 -238.11532 -228.86083 9.25449 2.45330 -229.17208 671.77484
5380.0000 -236.20836 -226.79205 9.41631 2.50445 -228.10712 715.70514
5385.0000 -235.15551 -225.88757 9.26794 2.59173 -226.29002 725.74974
5390.0000 -237.36322 -228.06843 9.29479 2.53216 -227.53029 717.06641
5395.0000 -236.72156 -228.59086 8.13071 2.52265 -227.72831 732.32073
5400.0000 -236.75392 -228.15993 8.59399 2.47838 -228.65002 692.08958
5405.0000 -236.21842 -227.80850 8.40992 2.44362 -229.37362 668.25450
5410.0000 -237.01886 -228.69930 8.31956 2.53942 -227.37913 724.33035
5415.0000 -238.52762 -230.41947 8.10815 2.41496 -229.97040 652.62534
5420.0000 -238.07555 -229.02163 9.05391 2.42548 -229.75136 654.65949
5425.0000 -238.64930 -231.05960 7.58970 2.39089 -230.47146 638.92143
5430.0000 -238.64426 -230.42772 8.21654 2.33266 -231.68376 595.20292
5435.0000 -236.95411 -229.05513 7.89898 2.44032 -229.44241 672.91615
5440.0000 -237.63798 -229.61593 8.02206 2.44863 -229.26940 669.40464
5445.0000 -237.83785 -229.16736 8.67049 2.46501 -228.92840 662.47727
5450.0000 -237.38264 -229.60656 7.77608 2.38188 -230.65901 639.29935
5455.0000 -236.46870 -228.58002 7.88868 2.44413 -229.36298 678.79224
5460.0000 -238.61321 -230.18367 8.42954 2.43978 -229.45352 659.22947
5465.0000 -235.85526 -229.26243 6.59284 2.47599 -228.69968 676.59828
5470.0000 -236.88347 -229.02070 7.86277 2.46466 -228.93566 679.84947
5475.0000 -237.30708 -229.64635 7.66073 2.47161 -228.79079 694.73751
5480.0000 -237.86904 -229.41914 8.44989 2.46672 -228.89279 673.46874
5485.0000 -238.71831 -230.12149 8.59682 2.45752 -229.08429 699.53807
5490.0000 -239.61057 -231.81378 7.79678 2.37649 -230.77124 626.58212
5495.0000 -237.91518 -229.90398 8.01119 2.39648 -230.35518 648.28268
5500.0000 -237.55566 -229.07282 8.48285 2.44052 -229.43814 651.78280
FREEZING PROCESS: loop number 23 T-loop= 654.00000000000000
main_MD> interactions number 23 at Temperature= 654.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.51668 -0.52217 -4.57790
force_rgl> df(natom) -3.98457 1.26121 -0.05433
5505.0000 -237.82378 -229.58022 8.24356 2.44483 -229.34834 673.18136
5510.0000 -237.37890 -229.67963 7.69928 2.44510 -229.34290 666.32398
5515.0000 -237.94325 -230.38063 7.56262 2.40403 -230.19784 667.52807
5520.0000 -239.23439 -230.66304 8.57135 2.37784 -230.74320 649.02153
5525.0000 -237.69708 -229.79137 7.90571 2.39362 -230.41463 649.59867
5530.0000 -239.41805 -230.52685 8.89120 2.40233 -230.23334 660.93171
5535.0000 -238.18373 -230.44193 7.74180 2.38864 -230.51833 635.02102
5540.0000 -239.15721 -230.59808 8.55912 2.39195 -230.44934 654.06075
5545.0000 -237.87845 -230.23569 7.64276 2.40665 -230.14326 650.58149
5550.0000 -239.21883 -231.57507 7.64376 2.36721 -230.96455 616.27847
5555.0000 -239.48111 -231.93090 7.55021 2.33778 -231.57733 589.62964
5560.0000 -237.37236 -229.15599 8.21637 2.37179 -230.86906 622.85163
5565.0000 -237.87640 -230.04860 7.82780 2.42173 -229.82935 651.29798
5570.0000 -237.94847 -230.83275 7.11571 2.40783 -230.11883 622.04949
5575.0000 -237.64019 -229.02982 8.61037 2.43088 -229.63885 655.36057
5580.0000 -236.96754 -230.34025 6.62729 2.42989 -229.65955 648.63272
5585.0000 -237.89493 -230.28904 7.60589 2.41752 -229.91712 651.08670
5590.0000 -239.20727 -230.80227 8.40500 2.39188 -230.45085 634.39121
5595.0000 -237.58012 -229.35697 8.22314 2.40070 -230.26724 636.97897
5600.0000 -238.10739 -229.83667 8.27073 2.43742 -229.50278 661.50562
5605.0000 -238.09744 -228.87696 9.22048 2.44791 -229.28437 660.91390
5610.0000 -236.39663 -226.97202 9.42461 2.49570 -228.28924 695.77728
5615.0000 -236.59323 -226.89652 9.69671 2.54426 -227.27825 727.29988
5620.0000 -236.35716 -229.01137 7.34579 2.50479 -228.10009 688.06002
5625.0000 -238.09345 -229.86700 8.22645 2.44702 -229.30280 662.43813
5630.0000 -238.63144 -230.50111 8.13033 2.44106 -229.42702 677.90423
5635.0000 -238.80977 -231.32263 7.48714 2.34588 -231.40852 613.99809
5640.0000 -239.75600 -232.81544 6.94055 2.31611 -232.02838 561.37846
5645.0000 -238.74919 -231.65516 7.09403 2.31898 -231.96864 597.68462
5650.0000 -238.75966 -230.39034 8.36932 2.38713 -230.54968 629.18386
5655.0000 -237.82694 -230.74797 7.07898 2.37910 -230.71692 612.86730
5660.0000 -238.85469 -230.44162 8.41307 2.39659 -230.35286 634.27739
5665.0000 -237.50943 -230.23971 7.26972 2.39209 -230.44649 641.39793
5670.0000 -238.84260 -230.20912 8.63348 2.42453 -229.77106 672.45955
5675.0000 -238.09569 -229.65292 8.44277 2.38567 -230.58019 643.04048
5680.0000 -236.61219 -228.92505 7.68714 2.45159 -229.20771 682.58446
5685.0000 -238.44317 -230.49648 7.94669 2.45353 -229.16722 659.45022
5690.0000 -238.40716 -228.86924 9.53792 2.40463 -230.18542 640.94307
5695.0000 -237.00279 -228.83561 8.16719 2.45753 -229.08397 675.08761
5700.0000 -236.90904 -229.94277 6.96627 2.45275 -229.18361 652.07184
5705.0000 -238.04285 -229.75867 8.28418 2.48451 -228.52236 692.31081
5710.0000 -238.26949 -230.67181 7.59768 2.43216 -229.61232 675.67329
5715.0000 -238.02091 -230.70466 7.31624 2.40163 -230.24792 626.91181
5720.0000 -239.00483 -230.75968 8.24514 2.37863 -230.72680 615.32186
5725.0000 -237.48925 -229.74259 7.74666 2.38441 -230.60642 634.02672
5730.0000 -238.77191 -229.06824 9.70368 2.44329 -229.38056 671.77187
5735.0000 -238.60759 -229.38140 9.22618 2.42112 -229.84212 669.62735
5740.0000 -239.81906 -232.27209 7.54697 2.39250 -230.43796 671.86877
5745.0000 -237.67642 -230.75962 6.91680 2.38454 -230.60363 641.54993
5750.0000 -235.22820 -227.56298 7.66522 2.46172 -228.99688 661.58649
FREEZING PROCESS: loop number 24 T-loop= 629.00000000000000
main_MD> interactions number 24 at Temperature= 629.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06700 -5.78454 -0.25538
force_rgl> df(natom) 1.95795 -4.88591 -2.42926
5755.0000 -238.11139 -229.30273 8.80865 2.50709 -228.05214 703.24999
5760.0000 -237.80682 -230.92013 6.88669 2.36613 -230.98707 608.63745
5765.0000 -237.80047 -229.77851 8.02196 2.43029 -229.65112 660.04848
5770.0000 -238.13752 -230.09152 8.04600 2.41242 -230.02319 639.39022
5775.0000 -237.06004 -228.89991 8.16013 2.43823 -229.48582 644.78276
5780.0000 -235.97586 -228.46201 7.51385 2.45657 -229.10393 643.32467
5785.0000 -237.47156 -229.96355 7.50801 2.44863 -229.26941 632.34956
5790.0000 -238.54611 -230.57127 7.97484 2.39261 -230.43563 626.75197
5795.0000 -238.54215 -230.25390 8.28825 2.35369 -231.24595 628.32472
5800.0000 -238.86067 -231.29066 7.57000 2.37562 -230.78944 648.04131
5805.0000 -238.39878 -230.82903 7.56975 2.31595 -232.03164 600.26868
5810.0000 -239.26615 -230.61865 8.64750 2.38705 -230.55150 639.59814
5815.0000 -237.99998 -230.63276 7.36721 2.37957 -230.70717 637.85365
5820.0000 -238.51516 -230.50060 8.01456 2.38155 -230.66597 614.81543
5825.0000 -240.24848 -232.32430 7.92419 2.36322 -231.04748 618.93731
5830.0000 -239.45306 -231.28948 8.16357 2.32086 -231.92941 635.41099
5835.0000 -239.80225 -232.20787 7.59438 2.34720 -231.38102 627.97074
5840.0000 -237.79848 -229.27012 8.52836 2.39401 -230.40660 650.67919
5845.0000 -238.08789 -229.19801 8.88988 2.42531 -229.75490 656.18276
5850.0000 -237.39167 -228.89302 8.49865 2.41171 -230.03801 657.74464
5855.0000 -238.46889 -230.55133 7.91756 2.43892 -229.47151 659.77299
5860.0000 -238.22579 -231.07883 7.14696 2.35327 -231.25463 618.13647
5865.0000 -240.14332 -232.59802 7.54530 2.30881 -232.18034 583.42326
5870.0000 -238.63406 -231.62273 7.01133 2.33460 -231.64341 615.96177
5875.0000 -238.02249 -229.44108 8.58142 2.37787 -230.74255 648.14069
5880.0000 -237.90870 -229.37562 8.53308 2.43340 -229.58640 667.15796
5885.0000 -237.22078 -229.59494 7.62584 2.42729 -229.71372 667.70284
5890.0000 -237.44872 -229.91482 7.53390 2.45718 -229.09134 671.47757
5895.0000 -238.21621 -230.25291 7.96331 2.38608 -230.57157 622.53251
5900.0000 -238.34356 -229.67547 8.66809 2.42228 -229.81800 655.23034
5905.0000 -239.16123 -230.74113 8.42010 2.37158 -230.87350 620.56555
5910.0000 -238.25264 -229.87930 8.37334 2.39611 -230.36276 638.17233
5915.0000 -237.71799 -229.09675 8.62124 2.42948 -229.66813 664.52437
5920.0000 -237.70772 -230.62961 7.07812 2.42364 -229.78969 638.80978
5925.0000 -239.06489 -232.09106 6.97384 2.36711 -230.96653 614.34059
5930.0000 -239.25018 -231.39789 7.85229 2.33559 -231.62279 571.60943
5935.0000 -239.54564 -231.45155 8.09409 2.33303 -231.67610 585.70596
5940.0000 -239.24850 -231.60192 7.64658 2.34385 -231.45086 616.48585
5945.0000 -239.66797 -232.61851 7.04946 2.30153 -232.33187 585.00628
5950.0000 -238.79444 -230.29082 8.50363 2.31907 -231.96679 590.53810
5955.0000 -240.08859 -231.51901 8.56959 2.38155 -230.66588 647.75584
5960.0000 -236.60122 -229.49558 7.10565 2.41194 -230.03312 644.00897
5965.0000 -237.43658 -229.16086 8.27572 2.46582 -228.91144 676.57271
5970.0000 -238.16216 -230.73036 7.43179 2.43497 -229.55372 674.03718
5975.0000 -238.53698 -230.61368 7.92330 2.35491 -231.22055 624.13745
5980.0000 -237.45404 -229.93730 7.51674 2.37277 -230.84879 634.01731
5985.0000 -238.73443 -230.67219 8.06224 2.40063 -230.26869 635.88783
5990.0000 -238.82976 -232.52054 6.30922 2.32566 -231.82966 584.57257
5995.0000 -240.28960 -233.04922 7.24038 2.29455 -232.47726 584.03302
6000.0000 -239.46234 -231.47825 7.98409 2.32088 -231.92912 602.15862
FREEZING PROCESS: loop number 25 T-loop= 604.00000000000000
main_MD> interactions number 25 at Temperature= 604.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41713 -0.66215 -2.17146
force_rgl> df(natom) 0.67039 0.88484 -1.66402
6005.0000 -239.81962 -232.71910 7.10053 2.29801 -232.40530 591.20296
6010.0000 -240.94439 -235.38240 5.56199 2.23793 -233.65615 543.95188
6015.0000 -240.66891 -233.76434 6.90457 2.25641 -233.27129 565.50554
6020.0000 -241.00469 -233.80720 7.19749 2.21849 -234.06086 554.38128
6025.0000 -241.74588 -233.85601 7.88987 2.24461 -233.51709 586.60429
6030.0000 -240.17883 -233.56607 6.61276 2.24627 -233.48238 578.76829
6035.0000 -239.18204 -232.53195 6.65010 2.25689 -233.26136 579.01687
6040.0000 -240.55859 -233.24023 7.31836 2.28619 -232.65142 586.65231
6045.0000 -237.38902 -230.01839 7.37063 2.34131 -231.50381 598.73325
6050.0000 -237.42228 -230.23140 7.19088 2.41448 -229.98036 633.59201
6055.0000 -238.24247 -230.81207 7.43040 2.36798 -230.94845 625.45688
6060.0000 -239.76577 -232.55532 7.21045 2.32501 -231.84319 598.14289
6065.0000 -239.37114 -232.34131 7.02983 2.28930 -232.58660 603.93665
6070.0000 -239.32294 -232.46632 6.85662 2.30316 -232.29795 584.70731
6075.0000 -239.18964 -231.39009 7.79955 2.35008 -231.32107 594.84358
6080.0000 -239.60558 -231.80056 7.80501 2.33005 -231.73812 607.93442
6085.0000 -239.46971 -232.28882 7.18089 2.31259 -232.10177 592.23324
6090.0000 -239.07487 -231.62744 7.44743 2.31143 -232.12593 575.23329
6095.0000 -238.79988 -231.36786 7.43201 2.32388 -231.86656 575.56625
6100.0000 -238.92835 -232.01817 6.91019 2.34799 -231.36456 603.00820
6105.0000 -238.46837 -230.50058 7.96779 2.36787 -230.95081 629.97418
6110.0000 -238.96082 -231.24437 7.71645 2.32450 -231.85378 605.16745
6115.0000 -239.03867 -231.49189 7.54678 2.35699 -231.17729 630.80683
6120.0000 -239.37923 -232.72026 6.65896 2.30944 -232.16729 614.09367
6125.0000 -239.69379 -233.23557 6.45822 2.27187 -232.94959 567.98570
6130.0000 -239.58650 -232.71903 6.86747 2.27468 -232.89089 555.67114
6135.0000 -238.80604 -232.48243 6.32361 2.28927 -232.58719 576.52217
6140.0000 -239.89603 -233.31850 6.57753 2.27136 -232.96003 575.65841
6145.0000 -239.97279 -231.94488 8.02792 2.29440 -232.48031 575.42841
6150.0000 -239.60024 -232.95011 6.65013 2.27672 -232.84841 596.63048
6155.0000 -240.02317 -232.93375 7.08942 2.26721 -233.04651 593.90329
6160.0000 -240.25745 -232.53758 7.71987 2.27576 -232.86852 595.32239
6165.0000 -240.80973 -234.23800 6.57173 2.22781 -233.86674 550.12522
6170.0000 -240.84287 -233.49885 7.34402 2.23585 -233.69946 559.86713
6175.0000 -240.86793 -233.48207 7.38586 2.27532 -232.87770 580.30709
6180.0000 -238.00830 -231.38561 6.62269 2.29260 -232.51784 577.43907
6185.0000 -238.19238 -229.76219 8.43019 2.37250 -230.85434 633.66027
6190.0000 -238.56152 -230.90179 7.65973 2.39010 -230.48783 628.34562
6195.0000 -238.51193 -231.79839 6.71354 2.37604 -230.78076 616.50844
6200.0000 -239.14283 -231.44624 7.69659 2.32281 -231.88891 589.49708
6205.0000 -239.77221 -231.20140 8.57081 2.36126 -231.08831 639.12087
6210.0000 -239.31852 -232.10850 7.21002 2.36048 -231.10460 621.45877
6215.0000 -239.03065 -231.64784 7.38281 2.31787 -231.99177 603.40294
6220.0000 -237.47428 -229.81639 7.65789 2.39169 -230.45491 642.45816
6225.0000 -238.23442 -229.56308 8.67134 2.42923 -229.67321 675.71589
6230.0000 -238.01163 -229.62178 8.38985 2.41887 -229.88898 658.10330
6235.0000 -238.88940 -229.52453 9.36487 2.40551 -230.16701 631.86208
6240.0000 -239.13650 -230.93226 8.20424 2.43014 -229.65419 678.16647
6245.0000 -239.96893 -233.20931 6.75962 2.32437 -231.85635 608.13930
6250.0000 -240.36292 -233.01496 7.34796 2.26045 -233.18718 569.85295
FREEZING PROCESS: loop number 26 T-loop= 579.00000000000000
main_MD> interactions number 26 at Temperature= 579.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.45134 0.43737 -0.41374
force_rgl> df(natom) 0.45600 -0.37889 3.30567
6255.0000 -238.24937 -231.19579 7.05357 2.33196 -231.69840 614.83782
6260.0000 -238.43245 -231.06048 7.37196 2.35304 -231.25949 608.55400
6265.0000 -239.37823 -232.13204 7.24619 2.33646 -231.60466 590.26011
6270.0000 -239.09003 -231.50178 7.58824 2.31239 -232.10579 599.15422
6275.0000 -239.58347 -232.87929 6.70418 2.31376 -232.07728 603.46039
6280.0000 -238.47474 -231.08368 7.39105 2.32428 -231.85829 585.36342
6285.0000 -239.99798 -231.98835 8.00963 2.31546 -232.04192 573.47588
6290.0000 -237.80904 -230.90744 6.90159 2.32556 -231.83161 584.03668
6295.0000 -238.49719 -230.42519 8.07200 2.37480 -230.80650 611.59210
6300.0000 -239.04764 -232.51249 6.53515 2.35911 -231.13308 595.20544
6305.0000 -239.70094 -233.23843 6.46250 2.28970 -232.57821 571.97913
6310.0000 -239.57820 -231.75021 7.82799 2.31219 -232.10997 606.79928
6315.0000 -239.67284 -232.71745 6.95539 2.30440 -232.27212 596.65407
6320.0000 -240.42017 -232.41040 8.00977 2.26043 -233.18765 557.91341
6325.0000 -240.04658 -233.14928 6.89730 2.27618 -232.85984 584.15623
6330.0000 -241.27830 -234.47586 6.80244 2.22009 -234.02756 551.03323
6335.0000 -240.82167 -233.22532 7.59634 2.19161 -234.62051 541.04437
6340.0000 -239.34981 -233.17726 6.17255 2.25747 -233.24928 583.99664
6345.0000 -239.14401 -231.25984 7.88417 2.30381 -232.28457 597.25793
6350.0000 -239.50014 -232.21306 7.28708 2.32664 -231.80918 601.17829
6355.0000 -238.78618 -231.89013 6.89605 2.31811 -231.98671 587.14618
6360.0000 -239.06645 -231.96565 7.10080 2.35547 -231.20894 619.38237
6365.0000 -239.15501 -232.56823 6.58677 2.30045 -232.35439 583.80992
6370.0000 -239.66428 -232.12527 7.53900 2.27023 -232.98363 571.47563
6375.0000 -240.73793 -233.58469 7.15323 2.30327 -232.29582 603.98350
6380.0000 -239.83262 -231.84685 7.98577 2.30208 -232.32052 603.53760
6385.0000 -240.08711 -233.53311 6.55400 2.26594 -233.07296 560.44474
6390.0000 -240.87314 -234.24719 6.62595 2.25551 -233.29010 581.99560
6395.0000 -240.51326 -233.62087 6.89239 2.24528 -233.50305 572.34079
6400.0000 -241.51865 -234.88785 6.63080 2.20256 -234.39249 552.43700
6405.0000 -240.08240 -232.96542 7.11698 2.22291 -233.96875 545.27446
6410.0000 -240.92682 -233.53784 7.38897 2.30090 -232.34509 617.11186
6415.0000 -240.83102 -233.41413 7.41689 2.23174 -233.78492 590.21886
6420.0000 -241.30970 -233.72447 7.58522 2.21760 -234.07947 588.76161
6425.0000 -240.76648 -234.01939 6.74708 2.26062 -233.18380 617.36570
6430.0000 -240.77663 -234.67354 6.10310 2.21215 -234.19286 580.15831
6435.0000 -242.20728 -234.53849 7.66879 2.20256 -234.39251 575.10588
6440.0000 -239.44337 -232.17654 7.26683 2.24018 -233.60935 599.07236
6445.0000 -241.08493 -232.69641 8.38853 2.27181 -232.95076 632.94221
6450.0000 -240.43110 -233.31232 7.11879 2.26068 -233.18252 590.99981
6455.0000 -241.03993 -235.02718 6.01275 2.21749 -234.08171 541.28154
6460.0000 -240.65169 -232.92530 7.72639 2.24715 -233.46415 567.96083
6465.0000 -240.04597 -232.96820 7.07778 2.25289 -233.34463 582.04650
6470.0000 -239.53218 -232.00416 7.52802 2.29573 -232.45267 583.51751
6475.0000 -239.81272 -233.47896 6.33376 2.26944 -233.00004 570.06769
6480.0000 -239.15715 -232.19535 6.96179 2.28378 -232.70160 580.13048
6485.0000 -238.27395 -231.41171 6.86224 2.30578 -232.24346 591.46779
6490.0000 -239.57725 -232.63699 6.94026 2.32567 -231.82939 614.42641
6495.0000 -239.70515 -233.10213 6.60302 2.25806 -233.23692 580.57143
6500.0000 -240.79754 -233.60799 7.18954 2.25274 -233.34786 561.79285
FREEZING PROCESS: loop number 27 T-loop= 554.00000000000000
main_MD> interactions number 27 at Temperature= 554.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.87483 2.29296 -6.06434
force_rgl> df(natom) 2.30247 -1.63343 -0.90671
6505.0000 -240.15608 -233.20717 6.94891 2.27017 -232.98494 581.40526
6510.0000 -239.80331 -233.48049 6.32282 2.27802 -232.82145 580.99353
6515.0000 -240.68021 -233.70585 6.97436 2.24553 -233.49796 546.82938
6520.0000 -239.63874 -232.82898 6.80976 2.25420 -233.31745 562.24607
6525.0000 -240.06495 -233.52387 6.54107 2.24905 -233.42461 548.54190
6530.0000 -239.82389 -233.40723 6.41667 2.25447 -233.31173 552.85982
6535.0000 -240.49240 -234.04967 6.44273 2.23663 -233.68327 535.62708
6540.0000 -240.62365 -234.28413 6.33952 2.21903 -234.04969 524.64149
6545.0000 -241.02378 -234.05406 6.96972 2.19046 -234.64436 515.14414
6550.0000 -239.97188 -232.75146 7.22041 2.25914 -233.21450 550.36460
6555.0000 -241.18662 -234.50413 6.68248 2.25338 -233.33453 561.90991
6560.0000 -239.87301 -233.27099 6.60202 2.22332 -233.96021 551.73233
6565.0000 -240.28304 -232.39928 7.88376 2.27281 -232.92983 596.35107
6570.0000 -239.04631 -231.78857 7.25774 2.28779 -232.61795 573.51392
6575.0000 -240.18204 -232.94129 7.24075 2.28918 -232.58918 572.14347
6580.0000 -240.08256 -233.50957 6.57299 2.26633 -233.06488 564.59712
6585.0000 -240.10275 -232.57147 7.53128 2.25941 -233.20883 570.15847
6590.0000 -240.08477 -233.60717 6.47760 2.24721 -233.46287 552.21116
6595.0000 -238.88943 -232.70394 6.18549 2.26027 -233.19100 543.76175
6600.0000 -240.68203 -233.56497 7.11706 2.27055 -232.97704 565.33058
6605.0000 -239.98411 -233.61871 6.36540 2.25836 -233.23079 561.94755
6610.0000 -240.37075 -234.47299 5.89777 2.22434 -233.93900 535.63345
6615.0000 -241.60019 -235.12493 6.47526 2.16321 -235.21184 503.23674
6620.0000 -242.64767 -235.75589 6.89178 2.13866 -235.72290 501.67548
6625.0000 -241.14113 -234.60358 6.53755 2.18011 -234.85984 539.27820
6630.0000 -240.52068 -234.11105 6.40962 2.24254 -233.56005 575.52248
6635.0000 -240.45494 -233.51521 6.93973 2.22262 -233.97492 551.97521
6640.0000 -240.80342 -234.30723 6.49619 2.20404 -234.36161 537.16886
6645.0000 -240.52903 -234.43884 6.09020 2.21078 -234.22138 535.63410
6650.0000 -240.44177 -233.85991 6.58186 2.21713 -234.08913 552.18289
6655.0000 -240.04121 -234.19653 5.84468 2.22155 -233.99723 570.01835
6660.0000 -238.88644 -231.95443 6.93202 2.26876 -233.01422 585.37209
6665.0000 -240.79799 -233.58135 7.21664 2.26621 -233.06728 563.38123
6670.0000 -241.97282 -235.07420 6.89862 2.22483 -233.92888 555.17034
6675.0000 -241.68315 -235.02589 6.65726 2.16640 -235.14531 540.66615
6680.0000 -242.37186 -236.31429 6.05757 2.16189 -235.23922 524.44863
6685.0000 -241.99133 -235.53952 6.45181 2.11198 -236.27850 488.74107
6690.0000 -242.19776 -236.03053 6.16723 2.10543 -236.41473 486.79334
6695.0000 -240.25626 -233.94778 6.30848 2.17919 -234.87909 539.24953
6700.0000 -239.83570 -232.54586 7.28983 2.26304 -233.13334 579.80755
6705.0000 -239.70282 -233.13131 6.57151 2.25967 -233.20358 576.99961
6710.0000 -239.89460 -232.29093 7.60367 2.28934 -232.58571 597.59452
6715.0000 -239.79755 -233.34437 6.45318 2.26953 -232.99819 580.86055
6720.0000 -241.32644 -234.00883 7.31761 2.22787 -233.86564 538.67971
6725.0000 -240.06257 -233.99776 6.06481 2.22996 -233.82206 539.08504
6730.0000 -239.94174 -233.34306 6.59868 2.26176 -233.15999 554.67802
6735.0000 -240.06201 -233.64030 6.42171 2.23931 -233.62748 551.88491
6740.0000 -241.58640 -235.21860 6.36780 2.20646 -234.31139 559.78684
6745.0000 -241.39142 -235.20964 6.18178 2.13066 -235.88956 515.25945
6750.0000 -241.73128 -235.08359 6.64769 2.14207 -235.65196 513.42532
FREEZING PROCESS: loop number 28 T-loop= 529.00000000000000
main_MD> interactions number 28 at Temperature= 529.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.04674 -0.19702 -1.16792
force_rgl> df(natom) 0.61270 0.43163 0.90251
6755.0000 -242.12615 -235.78943 6.33671 2.16433 -235.18842 527.11534
6760.0000 -242.29151 -236.12293 6.16858 2.11551 -236.20483 501.24918
6765.0000 -242.07358 -235.79015 6.28343 2.12747 -235.95580 502.44057
6770.0000 -241.79983 -235.59777 6.20206 2.13501 -235.79893 510.28975
6775.0000 -242.98919 -236.65520 6.33398 2.08940 -236.74851 498.38753
6780.0000 -243.11206 -237.06032 6.05175 2.08817 -236.77422 521.89058
6785.0000 -242.01947 -235.69714 6.32233 2.11654 -236.18346 525.97597
6790.0000 -242.31882 -235.88680 6.43203 2.14271 -235.63851 525.86652
6795.0000 -241.35674 -235.07976 6.27698 2.13138 -235.87444 505.70022
6800.0000 -241.48661 -235.87470 5.61192 2.15491 -235.38460 524.60954
6805.0000 -241.10173 -233.85421 7.24752 2.19432 -234.56417 540.64201
6810.0000 -241.74601 -234.91254 6.83347 2.18865 -234.68209 541.48566
6815.0000 -240.13777 -233.18522 6.95255 2.20620 -234.31665 538.74021
6820.0000 -240.13144 -232.75184 7.37959 2.26915 -233.00607 578.17409
6825.0000 -239.64840 -233.35939 6.28901 2.29703 -232.42563 593.51652
6830.0000 -240.53302 -235.72766 4.80536 2.23982 -233.61687 551.34402
6835.0000 -239.53348 -233.36976 6.16372 2.18904 -234.67407 509.73623
6840.0000 -239.36262 -232.70728 6.65534 2.25169 -233.36957 542.03365
6845.0000 -240.28755 -232.95125 7.33631 2.26147 -233.16595 557.58378
6850.0000 -240.61365 -234.92160 5.69205 2.21404 -234.15353 520.49442
6855.0000 -240.35214 -234.00009 6.35205 2.19771 -234.49353 515.37981
6860.0000 -241.39943 -235.04399 6.35544 2.21450 -234.14384 533.08365
6865.0000 -241.08195 -234.50639 6.57555 2.18145 -234.83211 511.72376
6870.0000 -241.23137 -234.58696 6.64441 2.19243 -234.60345 531.21411
6875.0000 -240.96526 -233.89368 7.07158 2.22412 -233.94357 538.15802
6880.0000 -241.56516 -233.85525 7.70991 2.21356 -234.16341 554.23796
6885.0000 -241.97092 -236.34263 5.62829 2.14675 -235.55446 539.07680
6890.0000 -241.99179 -234.74799 7.24381 2.15290 -235.42645 572.26830
6895.0000 -242.90517 -235.92022 6.98495 2.16909 -235.08936 587.75756
6900.0000 -243.54066 -236.24511 7.29555 2.08801 -236.77752 532.03121
6905.0000 -242.53160 -235.15243 7.37917 2.13036 -235.89565 554.35914
6910.0000 -242.70015 -235.76699 6.93317 2.14394 -235.61309 550.40212
6915.0000 -241.96811 -235.42394 6.54417 2.12743 -235.95678 530.49672
6920.0000 -241.89988 -235.69002 6.20986 2.14278 -235.63709 547.80344
6925.0000 -242.87507 -237.06832 5.80675 2.09789 -236.57179 513.56532
6930.0000 -242.78426 -235.67896 7.10530 2.11039 -236.31143 527.28189
6935.0000 -243.91716 -237.58453 6.33262 2.10380 -236.44870 539.48047
6940.0000 -242.94533 -237.13844 5.80689 2.05059 -237.55653 499.77231
6945.0000 -242.83962 -236.77428 6.06534 2.07333 -237.08312 511.67386
6950.0000 -243.07752 -235.71911 7.35841 2.12207 -236.06831 542.78431
6955.0000 -243.15444 -237.12883 6.02560 2.11543 -236.20660 546.77716
6960.0000 -243.66633 -237.91232 5.75401 2.04499 -237.67313 503.63987
6965.0000 -244.47825 -238.87533 5.60293 2.02612 -238.06612 485.39785
6970.0000 -243.99315 -237.06297 6.93018 2.02406 -238.10882 489.12654
6975.0000 -243.41021 -235.98051 7.42970 2.11707 -236.17245 550.80373
6980.0000 -243.60054 -236.72723 6.87331 2.09601 -236.61091 534.31749
6985.0000 -243.17066 -236.99897 6.17168 2.06727 -237.20919 515.11768
6990.0000 -243.66516 -237.30115 6.36401 2.03959 -237.78560 490.29519
6995.0000 -242.94032 -238.08481 4.85551 2.10212 -236.48362 525.73082
7000.0000 -244.03289 -237.66581 6.36708 2.04413 -237.69100 452.76051
FREEZING PROCESS: loop number 29 T-loop= 504.00000000000000
main_MD> interactions number 29 at Temperature= 504.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42688 -2.34904 -0.72392
force_rgl> df(natom) -0.51220 -0.44157 0.10462
7005.0000 -243.30168 -236.39856 6.90312 2.06874 -237.17861 516.63419
7010.0000 -241.88701 -235.93305 5.95396 2.10651 -236.39234 541.63332
7015.0000 -242.16520 -235.66982 6.49538 2.14097 -235.67484 560.56825
7020.0000 -242.39060 -236.06548 6.32511 2.12300 -236.04893 547.55146
7025.0000 -243.38736 -237.46906 5.91830 2.10174 -236.49152 533.98783
7030.0000 -244.31175 -237.08797 7.22378 2.08497 -236.84083 528.91524
7035.0000 -244.70837 -238.67713 6.03124 2.03032 -237.97856 472.11222
7040.0000 -244.32489 -238.66474 5.66015 1.97638 -239.10163 445.48762
7045.0000 -243.79082 -236.68786 7.10296 2.05581 -237.44786 500.23036
7050.0000 -244.46614 -238.12514 6.34100 2.07301 -237.08981 512.84212
7055.0000 -244.39417 -238.96461 5.42957 2.02003 -238.19290 481.24885
7060.0000 -244.04196 -238.08680 5.95516 1.97641 -239.10100 443.73951
7065.0000 -243.52564 -237.89885 5.62679 2.01749 -238.24575 480.33094
7070.0000 -243.99783 -237.60213 6.39570 2.04207 -237.73393 491.71113
7075.0000 -243.26567 -236.65808 6.60759 2.06328 -237.29235 507.20626
7080.0000 -243.44195 -237.76068 5.68126 2.09230 -236.68809 523.07593
7085.0000 -243.38047 -237.05054 6.32993 2.05646 -237.43437 506.72922
7090.0000 -243.38213 -237.32357 6.05857 2.08009 -236.94230 520.03913
7095.0000 -243.35239 -238.07487 5.27752 2.04203 -237.73472 495.32534
7100.0000 -243.31610 -236.73244 6.58367 2.09457 -236.64088 529.49062
7105.0000 -243.83021 -237.62433 6.20588 2.07980 -236.94848 496.68381
7110.0000 -241.87675 -235.64188 6.23488 2.10650 -236.39257 513.68658
7115.0000 -243.30786 -237.67971 5.62815 2.11134 -236.29176 541.78513
7120.0000 -244.29399 -237.96181 6.33219 2.03770 -237.82501 492.51919
7125.0000 -243.19693 -236.32503 6.87190 2.03525 -237.87592 488.20269
7130.0000 -243.48134 -237.53753 5.94380 2.06524 -237.25163 511.58847
7135.0000 -243.25866 -237.85827 5.40038 2.04463 -237.68057 486.67101
7140.0000 -244.48793 -238.01550 6.47243 2.05927 -237.37593 505.01826
7145.0000 -243.55310 -237.62174 5.93137 2.04868 -237.59624 506.35542
7150.0000 -244.12485 -238.37869 5.74616 2.02156 -238.16089 487.01279
7155.0000 -243.84717 -238.36769 5.47949 2.01000 -238.40160 481.34836
7160.0000 -243.68528 -237.45396 6.23131 2.02498 -238.08980 480.84712
7165.0000 -243.93679 -237.38825 6.54855 2.06275 -237.30347 521.83628
7170.0000 -243.69479 -237.51311 6.18168 2.03357 -237.91094 495.77309
7175.0000 -243.61672 -237.81572 5.80100 2.03257 -237.93171 489.73295
7180.0000 -243.73540 -237.33631 6.39909 2.02113 -238.17001 492.43766
7185.0000 -244.16769 -237.54067 6.62702 2.06333 -237.29125 519.06940
7190.0000 -243.78830 -237.82381 5.96449 2.03157 -237.95254 497.48041
7195.0000 -243.90554 -238.41164 5.49390 2.00511 -238.50342 474.38158
7200.0000 -244.07594 -238.00037 6.07557 2.03647 -237.85045 492.88028
7205.0000 -243.21389 -236.98989 6.22400 2.02806 -238.02557 497.01150
7210.0000 -243.23809 -236.96480 6.27330 2.08215 -236.89942 529.13986
7215.0000 -244.51104 -238.19924 6.31180 2.05072 -237.55383 512.44317
7220.0000 -244.58294 -238.71556 5.86739 1.99904 -238.62984 472.90791
7225.0000 -245.40235 -240.08651 5.31584 1.98083 -239.00896 460.52605
7230.0000 -244.90368 -239.44097 5.46270 1.92615 -240.14743 418.06561
7235.0000 -243.44391 -237.03939 6.40452 1.98859 -238.84730 465.14105
7240.0000 -243.82123 -237.48731 6.33392 2.07289 -237.09226 519.77879
7245.0000 -243.45366 -237.20250 6.25116 2.05097 -237.54863 507.38946
7250.0000 -242.88860 -237.14984 5.73876 2.06671 -237.22085 513.87653
FREEZING PROCESS: loop number 30 T-loop= 479.00000000000000
main_MD> interactions number 30 at Temperature= 479.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.53351 -3.33108 0.45695
force_rgl> df(natom) -0.58726 -2.32579 -0.76741
7255.0000 -244.08960 -237.69019 6.39940 2.04408 -237.69212 498.89914
7260.0000 -242.69515 -237.53487 5.16028 2.04161 -237.74347 503.20436
7265.0000 -244.06940 -237.27029 6.79912 2.05154 -237.53678 513.52984
7270.0000 -245.01159 -237.56633 7.44526 2.04743 -237.62224 509.06001
7275.0000 -243.57030 -236.81836 6.75194 2.08078 -236.92798 532.11710
7280.0000 -243.67594 -237.97045 5.70549 2.03064 -237.97199 495.58586
7285.0000 -243.76338 -237.75901 6.00436 2.06853 -237.18302 522.20112
7290.0000 -243.83246 -237.36521 6.46725 2.04005 -237.77607 494.66254
7295.0000 -243.78957 -237.96775 5.82183 2.05289 -237.50860 499.82769
7300.0000 -243.83623 -238.59221 5.24402 2.04490 -237.67504 502.44999
7305.0000 -243.63759 -237.29090 6.34669 2.04881 -237.59369 503.86344
7310.0000 -244.03843 -238.28818 5.75025 2.03955 -237.78632 501.15754
7315.0000 -245.00845 -239.63466 5.37378 1.97737 -239.08095 455.82754
7320.0000 -244.68062 -238.41765 6.26297 1.98419 -238.93910 461.78391
7325.0000 -244.76160 -238.43937 6.32223 2.01627 -238.27116 487.41774
7330.0000 -244.34839 -238.45030 5.89808 1.98752 -238.86973 463.10709
7335.0000 -244.40139 -239.00818 5.39321 1.97371 -239.15718 449.63467
7340.0000 -244.89727 -239.28536 5.61191 1.98089 -239.00779 458.84778
7345.0000 -243.91855 -238.04950 5.86906 2.01813 -238.23235 483.58343
7350.0000 -243.85369 -237.97292 5.88077 2.01892 -238.21592 488.69368
7355.0000 -244.96819 -238.70669 6.26150 2.01270 -238.34533 480.34750
7360.0000 -244.13252 -238.26043 5.87208 2.00284 -238.55069 478.69149
7365.0000 -243.75114 -237.25268 6.49846 2.03444 -237.89273 504.34620
7370.0000 -243.97734 -237.88904 6.08830 2.03725 -237.83419 499.19461
7375.0000 -243.76016 -239.02587 4.73428 1.98907 -238.83738 465.12518
7380.0000 -244.97349 -239.59174 5.38176 1.96503 -239.33786 447.67637
7385.0000 -244.87181 -239.27360 5.59822 1.96541 -239.32998 451.72082
7390.0000 -244.57517 -238.72303 5.85214 1.97603 -239.10898 454.94756
7395.0000 -245.07191 -239.19726 5.87465 2.00680 -238.46830 481.03359
7400.0000 -243.81631 -238.16349 5.65282 2.00578 -238.48957 477.89372
7405.0000 -243.88221 -237.46426 6.41795 2.04625 -237.64681 504.05998
7410.0000 -243.99426 -238.44815 5.54611 2.01500 -238.29753 481.51473
7415.0000 -244.27118 -238.92949 5.34169 2.00489 -238.50808 472.77398
7420.0000 -244.17713 -237.95974 6.21739 2.02843 -238.01802 489.45449
7425.0000 -244.26295 -238.93027 5.33268 1.98043 -239.01736 463.69320
7430.0000 -243.67180 -237.97052 5.70128 1.98787 -238.86248 465.49197
7435.0000 -244.26214 -238.14611 6.11603 2.03739 -237.83129 494.64559
7440.0000 -244.06122 -238.77433 5.28689 2.00432 -238.51983 480.64220
7445.0000 -243.94689 -237.51072 6.43617 2.01085 -238.38402 482.47701
7450.0000 -243.60870 -237.60925 5.99945 2.03039 -237.97718 487.52647
7455.0000 -244.39505 -237.97255 6.42249 2.03412 -237.89955 497.47732
7460.0000 -243.31914 -237.21426 6.10488 2.05879 -237.38588 515.30690
7465.0000 -244.48234 -238.42272 6.05962 2.04192 -237.73707 499.73715
7470.0000 -243.92316 -237.77427 6.14889 2.01788 -238.23762 484.10121
7475.0000 -244.23272 -238.10211 6.13060 2.03518 -237.87732 500.35147
7480.0000 -245.10640 -238.96345 6.14295 2.00570 -238.49123 477.69003
7485.0000 -244.37262 -238.38345 5.98918 2.01073 -238.38644 479.47388
7490.0000 -244.29595 -238.59669 5.69927 2.02530 -238.08307 490.17988
7495.0000 -242.81673 -237.78258 5.03414 2.03137 -237.95672 496.40285
7500.0000 -244.14979 -239.20595 4.94385 1.97315 -239.16883 446.66515
FREEZING PROCESS: loop number 31 T-loop= 454.00000000000000
main_MD> interactions number 31 at Temperature= 454.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37359 -1.04064 2.75595
force_rgl> df(natom) 0.17553 1.73853 -1.71543
7505.0000 -245.59512 -239.90061 5.69450 1.94409 -239.77389 432.40871
7510.0000 -245.42481 -240.47132 4.95349 1.93417 -239.98037 422.58889
7515.0000 -244.72932 -238.99914 5.73018 1.94496 -239.75576 428.59676
7520.0000 -244.31408 -238.64046 5.67362 1.99265 -238.76287 466.39123
7525.0000 -244.78460 -238.72616 6.05844 1.99737 -238.66457 468.61618
7530.0000 -244.93555 -239.41655 5.51900 1.98651 -238.89079 463.09200
7535.0000 -245.03327 -239.76961 5.26366 1.95957 -239.45151 438.78773
7540.0000 -244.76096 -239.04956 5.71140 1.96643 -239.30876 450.58078
7545.0000 -244.65135 -239.03378 5.61757 1.97776 -239.07281 458.69421
7550.0000 -244.79754 -238.76293 6.03461 1.97686 -239.09155 455.79866
7555.0000 -245.21170 -239.49855 5.71315 1.94338 -239.78858 431.66028
7560.0000 -244.59257 -239.91866 4.67391 1.96131 -239.41546 444.93737
7565.0000 -244.39813 -238.74819 5.64993 1.96797 -239.27674 449.21104
7570.0000 -244.55462 -238.93207 5.62255 1.99646 -238.68363 472.98913
7575.0000 -243.93408 -238.37989 5.55420 1.97186 -239.19581 451.62136
7580.0000 -244.20355 -238.03395 6.16960 2.01596 -238.27749 483.76134
7585.0000 -243.28902 -236.93642 6.35261 2.05792 -237.40384 507.07018
7590.0000 -244.02710 -238.21165 5.81545 2.03514 -237.87827 499.00426
7595.0000 -244.52346 -239.07262 5.45083 1.95473 -239.55229 440.28337
7600.0000 -245.07610 -239.99365 5.08245 1.93214 -240.02260 424.54919
7605.0000 -245.38038 -240.57562 4.80476 1.93553 -239.95221 425.55138
7610.0000 -244.96896 -239.75830 5.21066 1.93534 -239.95607 424.52846
7615.0000 -244.84440 -238.75774 6.08666 1.96345 -239.37084 444.69949
7620.0000 -244.93707 -238.81680 6.12027 1.96615 -239.31457 445.77646
7625.0000 -245.43939 -239.70084 5.73856 1.93851 -239.88998 426.50773
7630.0000 -245.34696 -240.10434 5.24262 1.97113 -239.21093 452.09439
7635.0000 -244.25251 -239.05490 5.19761 1.94566 -239.74122 428.50583
7640.0000 -245.31802 -239.37498 5.94304 1.95798 -239.48470 442.03294
7645.0000 -244.25694 -239.24498 5.01196 1.98100 -239.00546 453.99412
7650.0000 -245.12178 -239.39238 5.72940 1.95822 -239.47971 438.25567
7655.0000 -243.85015 -238.47459 5.37556 1.98954 -238.82753 472.80798
7660.0000 -244.25731 -238.42337 5.83394 1.98919 -238.83482 466.94041
7665.0000 -244.03913 -238.48563 5.55349 2.01017 -238.39817 487.02105
7670.0000 -245.47112 -240.45435 5.01677 1.95838 -239.47631 445.19476
7675.0000 -244.76110 -239.60469 5.15641 1.92914 -240.08525 418.74851
7680.0000 -245.68700 -239.18709 6.49992 1.95584 -239.52920 441.77131
7685.0000 -245.70528 -239.83265 5.87264 1.96172 -239.40687 442.62006
7690.0000 -244.86996 -240.32237 4.54759 1.95222 -239.60465 437.00645
7695.0000 -244.76844 -239.53332 5.23512 1.94670 -239.71957 436.52780
7700.0000 -244.28352 -239.20937 5.07415 1.96239 -239.39297 443.34503
7705.0000 -245.62698 -239.58299 6.04399 1.97180 -239.19687 446.33809
7710.0000 -244.39895 -238.58581 5.81313 1.97353 -239.16099 451.13468
7715.0000 -244.96449 -238.96567 5.99882 1.97852 -239.05712 453.90657
7720.0000 -244.12566 -238.66933 5.45633 1.96266 -239.38718 445.60467
7725.0000 -244.62212 -239.83995 4.78217 1.94714 -239.71032 433.13533
7730.0000 -245.31736 -240.77619 4.54117 1.89391 -240.81872 393.70295
7735.0000 -244.92897 -239.11494 5.81404 1.95518 -239.54295 439.69104
7740.0000 -244.74581 -238.87174 5.87407 1.98124 -239.00051 461.16480
7745.0000 -243.54656 -237.62884 5.91772 2.01651 -238.26606 482.64873
7750.0000 -245.02071 -238.92780 6.09291 2.01556 -238.28587 484.47258
FREEZING PROCESS: loop number 32 T-loop= 429.00000000000000
main_MD> interactions number 32 at Temperature= 429.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.23829 2.91452 -2.51633
force_rgl> df(natom) -2.42907 0.98762 -0.24998
7755.0000 -244.44488 -239.81486 4.63001 1.95231 -239.60272 440.26573
7760.0000 -245.66733 -241.00525 4.66208 1.91420 -240.39614 407.33399
7765.0000 -245.83835 -240.26612 5.57223 1.89392 -240.81843 392.21883
7770.0000 -244.94165 -239.97454 4.96711 1.92808 -240.10716 418.87020
7775.0000 -244.50976 -239.84485 4.66491 1.91446 -240.39077 409.23297
7780.0000 -245.55427 -240.62499 4.92929 1.91726 -240.33248 410.53428
7785.0000 -245.12550 -240.28401 4.84149 1.92620 -240.14635 414.14531
7790.0000 -245.43971 -240.46626 4.97345 1.91762 -240.32496 411.53512
7795.0000 -245.90418 -241.16562 4.73856 1.89163 -240.86604 389.51888
7800.0000 -244.87416 -239.83660 5.03756 1.92935 -240.08086 418.76914
7805.0000 -243.94642 -238.33688 5.60954 1.98371 -238.94908 459.63102
7810.0000 -244.50864 -238.52056 5.98808 1.99287 -238.75828 466.39589
7815.0000 -245.42849 -240.68305 4.74543 1.95467 -239.55370 439.00897
7820.0000 -245.46061 -240.01101 5.44960 1.92936 -240.08067 421.35298
7825.0000 -244.01471 -238.33251 5.68219 1.97377 -239.15586 454.44211
7830.0000 -244.45805 -238.93250 5.52556 1.99390 -238.73675 467.47316
7835.0000 -246.21830 -240.05392 6.16438 1.98069 -239.01186 455.84407
7840.0000 -245.33478 -240.22875 5.10603 1.91787 -240.31969 411.72179
7845.0000 -245.48019 -239.76450 5.71569 1.92986 -240.07016 419.90077
7850.0000 -244.03922 -239.00533 5.03389 1.95899 -239.46367 439.77068
7855.0000 -244.85275 -239.66133 5.19143 1.95914 -239.46055 440.49298
7860.0000 -244.24056 -238.88406 5.35650 1.96348 -239.37017 443.19535
7865.0000 -244.48468 -238.28613 6.19855 1.99975 -238.61512 473.21825
7870.0000 -243.65428 -238.13563 5.51865 2.00033 -238.60298 474.90167
7875.0000 -244.17475 -238.54612 5.62863 1.99737 -238.66463 464.51556
7880.0000 -243.93231 -238.39671 5.53560 2.00103 -238.58849 473.92649
7885.0000 -244.72687 -238.99854 5.72833 2.00401 -238.52627 477.41937
7890.0000 -244.76983 -239.85026 4.91957 1.95195 -239.61034 432.81148
7895.0000 -244.79056 -239.32168 5.46887 1.94694 -239.71450 434.40507
7900.0000 -243.82385 -238.96449 4.85935 1.95392 -239.56924 442.79938
7905.0000 -245.63586 -240.30468 5.33119 1.93865 -239.88708 426.16613
7910.0000 -244.85634 -239.13320 5.72313 1.94678 -239.71787 436.06538
7915.0000 -245.30642 -240.36880 4.93762 1.93231 -240.01905 424.88696
7920.0000 -245.04737 -240.18947 4.85790 1.90888 -240.50699 405.03182
7925.0000 -245.34861 -240.52625 4.82235 1.90950 -240.49396 403.68685
7930.0000 -244.93513 -238.84984 6.08529 1.93655 -239.93092 427.31530
7935.0000 -245.12672 -239.73181 5.39491 1.94326 -239.79107 429.97402
7940.0000 -245.19506 -239.48827 5.70679 1.95494 -239.54808 443.12249
7945.0000 -245.63619 -240.61617 5.02002 1.93772 -239.90654 425.73764
7950.0000 -246.05819 -240.70613 5.35207 1.90372 -240.61449 401.69417
7955.0000 -244.66334 -239.48397 5.17937 1.92580 -240.15472 417.05922
7960.0000 -245.33553 -239.97179 5.36374 1.97309 -239.17016 449.00878
7965.0000 -244.84310 -239.92123 4.92187 1.94065 -239.84551 432.63760
7970.0000 -245.19502 -239.62653 5.56849 1.92806 -240.10772 423.58179
7975.0000 -244.21494 -238.16042 6.05452 1.97874 -239.05250 454.05531
7980.0000 -245.11816 -239.61743 5.50073 2.00400 -238.52650 478.48645
7985.0000 -245.67415 -240.21397 5.46019 1.94124 -239.83314 430.80753
7990.0000 -245.31700 -240.04251 5.27449 1.92318 -240.20915 416.16226
7995.0000 -245.06865 -240.09734 4.97132 1.94534 -239.74793 432.04788
8000.0000 -244.52999 -240.32956 4.20043 1.91780 -240.32122 411.29734
FREEZING PROCESS: loop number 33 T-loop= 404.00000000000000
main_MD> interactions number 33 at Temperature= 404.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.48326 3.29819 1.60621
force_rgl> df(natom) -0.58119 -1.25332 4.47634
8005.0000 -245.66062 -240.40585 5.25477 1.92397 -240.19275 414.66639
8010.0000 -245.84996 -240.64082 5.20914 1.91749 -240.32775 409.25156
8015.0000 -245.64149 -240.29036 5.35113 1.91891 -240.29821 411.99851
8020.0000 -245.37933 -240.43226 4.94706 1.91672 -240.34382 410.75644
8025.0000 -244.94864 -239.34146 5.60719 1.94062 -239.84613 427.25443
8030.0000 -244.43662 -239.29541 5.14121 1.95733 -239.49815 442.39076
8035.0000 -244.28417 -239.35399 4.93018 1.97646 -239.10004 459.93474
8040.0000 -245.77126 -240.96151 4.80975 1.93612 -239.93980 423.61626
8045.0000 -246.13440 -241.04091 5.09349 1.91016 -240.48022 400.73499
8050.0000 -246.01524 -241.33630 4.67893 1.90469 -240.59414 403.21818
8055.0000 -245.26992 -240.02298 5.24694 1.91840 -240.30886 413.92882
8060.0000 -245.25024 -240.07124 5.17900 1.93392 -239.98565 422.29958
8065.0000 -245.19889 -240.16138 5.03751 1.92465 -240.17869 417.65731
8070.0000 -245.55143 -239.83966 5.71177 1.89378 -240.82145 392.56439
8075.0000 -245.67955 -240.81233 4.86722 1.90582 -240.57076 401.45187
8080.0000 -245.81757 -240.86821 4.94935 1.89470 -240.80225 393.17012
8085.0000 -246.07932 -240.28998 5.78934 1.90074 -240.67643 399.22167
8090.0000 -245.53821 -240.52550 5.01271 1.91881 -240.30020 410.57274
8095.0000 -245.62090 -240.84457 4.77633 1.89905 -240.71164 397.13784
8100.0000 -245.30365 -239.71350 5.59014 1.93276 -240.00982 419.20826
8105.0000 -245.22142 -240.24217 4.97925 1.92806 -240.10768 421.30038
8110.0000 -245.45141 -240.86479 4.58661 1.91220 -240.43782 406.38053
8115.0000 -245.37788 -240.43348 4.94440 1.89225 -240.85315 391.62376
8120.0000 -245.24839 -240.25291 4.99547 1.90570 -240.57313 400.81883
8125.0000 -245.40828 -239.77315 5.63513 1.91416 -240.39711 410.55283
8130.0000 -245.38604 -239.53346 5.85258 1.92650 -240.14003 417.50997
8135.0000 -246.09815 -241.15517 4.94298 1.93812 -239.89821 426.05375
8140.0000 -245.54736 -240.04066 5.50670 1.92166 -240.24097 413.90024
8145.0000 -245.40751 -240.90973 4.49778 1.90248 -240.64017 398.19280
8150.0000 -245.76075 -240.97010 4.79065 1.89299 -240.83788 388.70457
8155.0000 -245.86521 -240.80919 5.05601 1.89113 -240.87646 388.54370
8160.0000 -245.20827 -240.38948 4.81879 1.90235 -240.64288 399.34813
8165.0000 -245.69174 -240.08330 5.60845 1.94250 -239.80694 428.62171
8170.0000 -245.21299 -240.14410 5.06890 1.90907 -240.50308 402.81497
8175.0000 -244.94769 -239.93784 5.00985 1.92539 -240.16330 414.91925
8180.0000 -245.31072 -240.25855 5.05217 1.89934 -240.70559 393.89355
8185.0000 -245.89868 -241.18314 4.71553 1.88441 -241.01638 387.59517
8190.0000 -245.49022 -240.86944 4.62078 1.89629 -240.76901 393.03088
8195.0000 -245.52681 -240.62830 4.89851 1.89636 -240.76773 395.13849
8200.0000 -245.33785 -240.79608 4.54178 1.91217 -240.43841 405.36278
8205.0000 -245.64243 -240.37816 5.26427 1.91372 -240.40625 407.12918
8210.0000 -246.73872 -241.96837 4.77036 1.90542 -240.57894 403.93293
8215.0000 -245.81325 -241.17730 4.63595 1.84604 -241.81536 356.51894
8220.0000 -245.89818 -241.16226 4.73592 1.88530 -240.99792 387.93770
8225.0000 -245.83149 -240.84222 4.98926 1.88074 -241.09279 384.16565
8230.0000 -245.18800 -240.16066 5.02734 1.88997 -240.90059 389.23899
8235.0000 -246.04700 -241.20760 4.83939 1.88920 -240.91668 392.17742
8240.0000 -245.42194 -240.88022 4.54172 1.88913 -240.91809 387.61847
8245.0000 -245.72085 -240.57077 5.15009 1.89826 -240.72807 391.53667
8250.0000 -245.08858 -239.58643 5.50215 1.91175 -240.44723 404.38834
FREEZING PROCESS: loop number 34 T-loop= 379.00000000000000
main_MD> interactions number 34 at Temperature= 379.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42305 1.44076 1.87644
force_rgl> df(natom) 1.10104 -3.37718 -0.65549
8255.0000 -245.41627 -240.53074 4.88554 1.96793 -239.27756 452.55694
8260.0000 -245.67994 -240.96137 4.71857 1.89433 -240.80990 392.93334
8265.0000 -245.28842 -240.31302 4.97540 1.90253 -240.63926 398.21734
8270.0000 -245.54614 -240.25455 5.29158 1.93667 -239.92830 425.21075
8275.0000 -245.63683 -241.28798 4.34885 1.89581 -240.77902 395.10230
8280.0000 -245.28191 -240.04952 5.23239 1.88721 -240.95817 380.18289
8285.0000 -245.20715 -240.39393 4.81322 1.92105 -240.25354 412.25510
8290.0000 -245.64354 -240.89411 4.74943 1.89792 -240.73517 396.18600
8295.0000 -246.17148 -241.44403 4.72745 1.88598 -240.98375 387.50629
8300.0000 -245.95873 -242.00841 3.95032 1.85511 -241.62645 361.75556
8305.0000 -245.99459 -241.55740 4.43718 1.84774 -241.77980 355.60422
8310.0000 -246.19624 -241.67536 4.52088 1.88036 -241.10081 382.38557
8315.0000 -245.05452 -240.56463 4.48989 1.89487 -240.79871 393.91867
8320.0000 -245.86507 -240.80313 5.06193 1.88259 -241.05436 382.73498
8325.0000 -246.01110 -242.43752 3.57359 1.85865 -241.55281 364.91641
8330.0000 -246.59990 -242.16387 4.43603 1.82876 -242.17515 342.99573
8335.0000 -246.24367 -241.58019 4.66349 1.84737 -241.78771 355.35533
8340.0000 -245.64249 -241.12004 4.52245 1.87005 -241.31538 376.02205
8345.0000 -246.02860 -241.79212 4.23648 1.84759 -241.78298 355.44038
8350.0000 -245.99692 -241.32004 4.67688 1.86721 -241.37450 370.85214
8355.0000 -246.13386 -241.48314 4.65072 1.86329 -241.45621 369.46388
8360.0000 -246.21543 -241.63963 4.57580 1.85543 -241.61990 361.68023
8365.0000 -245.21271 -240.63478 4.57793 1.87641 -241.18291 378.77107
8370.0000 -246.33334 -241.17612 5.15722 1.89388 -240.81921 392.14043
8375.0000 -246.47046 -241.88159 4.58887 1.86157 -241.49203 368.06066
8380.0000 -246.30253 -241.38084 4.92169 1.84234 -241.89232 351.69992
8385.0000 -245.86531 -240.83256 5.03275 1.86293 -241.46356 370.38523
8390.0000 -245.94706 -241.22521 4.72185 1.89000 -240.90007 392.62977
8395.0000 -245.54353 -240.71222 4.83131 1.87374 -241.23848 374.43169
8400.0000 -245.86979 -241.13361 4.73618 1.89658 -240.76312 394.17302
8405.0000 -245.81186 -241.35948 4.45238 1.86608 -241.39805 373.76320
8410.0000 -246.42547 -241.94190 4.48357 1.83565 -242.03168 347.85129
8415.0000 -245.34090 -241.20160 4.13931 1.87636 -241.18401 378.62689
8420.0000 -245.74607 -241.25900 4.48706 1.86204 -241.48228 370.08677
8425.0000 -246.37188 -242.23428 4.13760 1.86369 -241.44790 371.85115
8430.0000 -245.64249 -240.64488 4.99761 1.84900 -241.75377 358.08293
8435.0000 -244.95969 -239.84064 5.11906 1.90094 -240.67219 398.41876
8440.0000 -245.84971 -240.48564 5.36406 1.91545 -240.37014 408.43036
8445.0000 -245.94735 -241.44399 4.50336 1.87313 -241.25133 374.84965
8450.0000 -244.96942 -240.49454 4.47488 1.88820 -240.93755 389.35866
8455.0000 -246.07918 -241.63174 4.44744 1.87959 -241.11674 379.64445
8460.0000 -245.57276 -240.77367 4.79909 1.87858 -241.13788 380.26325
8465.0000 -246.64361 -241.84787 4.79573 1.87067 -241.30248 376.88535
8470.0000 -245.21018 -240.39620 4.81398 1.87970 -241.11455 382.33657
8475.0000 -246.43611 -242.07030 4.36580 1.87339 -241.24595 380.30243
8480.0000 -246.51322 -241.83782 4.67540 1.84648 -241.80615 356.46287
8485.0000 -246.27252 -241.91852 4.35399 1.84245 -241.88998 351.51524
8490.0000 -245.07782 -240.82201 4.25581 1.86559 -241.40817 371.50571
8495.0000 -245.57141 -240.86508 4.70633 1.88454 -241.01381 384.40015
8500.0000 -246.25930 -241.45370 4.80560 1.86638 -241.39177 374.03928
FREEZING PROCESS: loop number 35 T-loop= 354.00000000000000
main_MD> interactions number 35 at Temperature= 354.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42847 -0.14986 -1.35372
force_rgl> df(natom) -1.92642 -2.13181 -0.07589
8505.0000 -245.87379 -241.66526 4.20853 1.84439 -241.84957 356.53276
8510.0000 -246.14025 -241.88841 4.25184 1.84488 -241.83947 354.26094
8515.0000 -245.98307 -241.82076 4.16232 1.84010 -241.93906 349.33043
8520.0000 -246.13615 -242.07978 4.05636 1.85342 -241.66173 361.23646
8525.0000 -246.71064 -242.20245 4.50819 1.83471 -242.05109 344.08747
8530.0000 -246.12243 -242.24821 3.87423 1.82872 -242.17595 343.68454
8535.0000 -245.60814 -241.89305 3.71509 1.83255 -242.09613 347.20735
8540.0000 -245.70378 -241.54193 4.16186 1.86023 -241.51981 365.81899
8545.0000 -245.87502 -241.73304 4.14198 1.86959 -241.32494 376.06563
8550.0000 -245.91468 -241.47963 4.43505 1.85638 -241.60008 365.49734
8555.0000 -246.41259 -242.06941 4.34318 1.85456 -241.63781 361.14106
8560.0000 -245.01454 -241.03602 3.97852 1.86475 -241.42584 370.99356
8565.0000 -245.92762 -242.24007 3.68754 1.83941 -241.95339 346.88708
8570.0000 -246.53095 -241.74125 4.78970 1.82436 -242.26664 337.85803
8575.0000 -246.50710 -242.88001 3.62708 1.81443 -242.47349 331.37754
8580.0000 -246.83623 -242.87655 3.95968 1.78860 -243.01129 310.88191
8585.0000 -246.12397 -242.52396 3.60001 1.80800 -242.60730 327.15451
8590.0000 -246.35968 -241.48628 4.87339 1.84403 -241.85716 353.81706
8595.0000 -245.76801 -241.58996 4.17805 1.85938 -241.53749 366.34144
8600.0000 -246.23095 -241.70795 4.52300 1.84112 -241.91770 356.83830
8605.0000 -245.90533 -241.44455 4.46077 1.85225 -241.68609 361.94398
8610.0000 -246.15194 -241.66462 4.48732 1.83873 -241.96759 349.20470
8615.0000 -246.62667 -242.27271 4.35397 1.83142 -242.11963 343.96340
8620.0000 -246.78406 -242.75678 4.02729 1.79327 -242.91406 315.15865
8625.0000 -246.28749 -241.74610 4.54139 1.81525 -242.45641 331.73619
8630.0000 -246.42699 -243.16617 3.26081 1.81575 -242.44591 331.48593
8635.0000 -245.84369 -241.72591 4.11778 1.82523 -242.24859 339.20421
8640.0000 -246.69300 -242.94206 3.75093 1.81710 -242.41790 331.72932
8645.0000 -246.42906 -241.97671 4.45235 1.81045 -242.55622 327.61758
8650.0000 -246.38149 -242.05310 4.32840 1.84508 -241.83523 354.44296
8655.0000 -245.96689 -242.01669 3.95019 1.83409 -242.06414 345.79490
8660.0000 -246.55914 -242.81868 3.74046 1.81759 -242.40773 328.65439
8665.0000 -246.39156 -242.49254 3.89902 1.81615 -242.43766 331.13017
8670.0000 -246.01743 -242.50997 3.50746 1.82652 -242.22166 341.94236
8675.0000 -246.08920 -241.87735 4.21184 1.83178 -242.11210 342.81573
8680.0000 -246.09907 -242.19425 3.90482 1.83233 -242.10084 345.52323
8685.0000 -246.22485 -241.69840 4.52646 1.82732 -242.20503 339.58942
8690.0000 -246.05849 -241.13312 4.92538 1.86992 -241.31804 374.08025
8695.0000 -246.26449 -241.56996 4.69453 1.85555 -241.61732 364.58305
8700.0000 -246.11628 -241.30733 4.80895 1.85462 -241.63660 359.90846
8705.0000 -245.81668 -241.55531 4.26137 1.84510 -241.83489 352.98917
8710.0000 -246.44998 -241.66756 4.78242 1.86194 -241.48418 367.94694
8715.0000 -245.10302 -240.60335 4.49968 1.85818 -241.56254 365.34254
8720.0000 -245.83296 -241.71733 4.11563 1.86864 -241.34477 374.88987
8725.0000 -245.66599 -241.56437 4.10162 1.85807 -241.56494 364.52045
8730.0000 -246.47617 -241.99289 4.48328 1.84117 -241.91676 352.78425
8735.0000 -246.24641 -241.78576 4.46065 1.84406 -241.85658 353.99252
8740.0000 -245.92527 -241.15212 4.77315 1.85109 -241.71013 360.11623
8745.0000 -246.00202 -241.28541 4.71660 1.87850 -241.13947 377.66905
8750.0000 -246.00563 -241.39245 4.61318 1.88924 -240.91594 387.60263
FREEZING PROCESS: loop number 36 T-loop= 329.00000000000000
main_MD> interactions number 36 at Temperature= 329.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60138 1.73186 0.58856
force_rgl> df(natom) 0.43816 0.86223 1.19147
8755.0000 -246.04261 -241.34557 4.69704 1.86225 -241.47777 367.59371
8760.0000 -246.40090 -241.66116 4.73974 1.85967 -241.53152 366.07691
8765.0000 -246.22353 -241.77836 4.44517 1.84374 -241.86323 355.60113
8770.0000 -246.27167 -242.36799 3.90368 1.84246 -241.88982 354.34520
8775.0000 -247.19494 -243.11335 4.08159 1.80354 -242.70015 320.61539
8780.0000 -247.14616 -243.31109 3.83506 1.79717 -242.83281 316.17739
8785.0000 -246.88705 -243.25640 3.63066 1.79883 -242.79827 318.61268
8790.0000 -246.67656 -242.39208 4.28449 1.79596 -242.85798 315.61227
8795.0000 -246.49039 -242.12351 4.36687 1.82223 -242.31105 338.31171
8800.0000 -247.19696 -242.79269 4.40427 1.83766 -241.98967 349.74550
8805.0000 -246.06497 -241.64406 4.42091 1.82852 -242.18006 342.25060
8810.0000 -247.16606 -243.66516 3.50091 1.79959 -242.78249 319.97597
8815.0000 -246.84788 -243.14031 3.70757 1.78181 -243.15249 305.38159
8820.0000 -246.70106 -242.66227 4.03880 1.79866 -242.80169 315.69470
8825.0000 -246.88408 -243.23357 3.65051 1.79006 -242.98083 311.76828
8830.0000 -246.70663 -243.10178 3.60485 1.79308 -242.91800 313.40861
8835.0000 -246.86753 -242.58808 4.27946 1.80749 -242.61791 325.58117
8840.0000 -246.19849 -242.48742 3.71108 1.81323 -242.49849 332.60588
8845.0000 -246.35494 -241.91336 4.44158 1.82149 -242.32635 336.74502
8850.0000 -246.52718 -242.96642 3.56076 1.82187 -242.31845 339.61565
8855.0000 -246.72340 -242.55974 4.16366 1.79267 -242.92657 313.17673
8860.0000 -247.13265 -242.98907 4.14359 1.78424 -243.10190 310.59904
8865.0000 -246.57503 -242.18191 4.39312 1.82669 -242.21810 340.08298
8870.0000 -246.74716 -242.57246 4.17469 1.81332 -242.49649 330.43755
8875.0000 -245.79647 -241.55335 4.24312 1.84456 -241.84617 355.85242
8880.0000 -246.13013 -241.93354 4.19659 1.85801 -241.56618 364.04431
8885.0000 -246.65885 -242.19301 4.46584 1.83288 -242.08935 343.48072
8890.0000 -247.36578 -243.03054 4.33524 1.80239 -242.72409 322.62788
8895.0000 -246.80494 -242.58176 4.22318 1.80243 -242.72327 323.24129
8900.0000 -246.96898 -242.68588 4.28309 1.79460 -242.88623 315.62961
8905.0000 -246.22887 -242.60248 3.62638 1.82495 -242.25449 339.61408
8910.0000 -246.97123 -242.76126 4.20997 1.81106 -242.54356 329.27196
8915.0000 -246.69846 -243.16525 3.53321 1.80024 -242.76883 321.39325
8920.0000 -247.20739 -243.10894 4.09846 1.77524 -243.28944 300.55798
8925.0000 -246.67923 -243.06373 3.61549 1.79773 -242.82114 320.16831
8930.0000 -246.27993 -242.37440 3.90553 1.80763 -242.61505 325.54375
8935.0000 -246.75812 -243.05155 3.70657 1.80933 -242.57963 325.99639
8940.0000 -246.23823 -242.53296 3.70527 1.80712 -242.62563 324.87657
8945.0000 -246.82980 -242.33922 4.49059 1.80933 -242.57968 327.88634
8950.0000 -246.99749 -243.09379 3.90370 1.80157 -242.74108 322.70778
8955.0000 -246.82387 -242.61022 4.21366 1.79999 -242.77407 320.66904
8960.0000 -246.68107 -242.78718 3.89389 1.80304 -242.71057 322.67994
8965.0000 -246.98591 -242.90120 4.08471 1.79671 -242.84244 316.69665
8970.0000 -246.79061 -243.07333 3.71728 1.77514 -243.29136 299.57821
8975.0000 -247.07783 -242.95096 4.12687 1.79591 -242.85910 314.64109
8980.0000 -246.54394 -243.23309 3.31085 1.79805 -242.81453 317.45962
8985.0000 -246.86071 -242.82638 4.03433 1.79162 -242.94825 312.95993
8990.0000 -246.75159 -242.75796 3.99364 1.80497 -242.67031 324.66330
8995.0000 -246.83030 -242.74613 4.08417 1.79216 -242.93704 318.05551
9000.0000 -246.62415 -242.41372 4.21043 1.81653 -242.42979 334.24216
FREEZING PROCESS: loop number 37 T-loop= 304.00000000000000
main_MD> interactions number 37 at Temperature= 304.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.44163 -0.08405 -0.25412
force_rgl> df(natom) 0.40897 -0.26967 0.29589
9005.0000 -246.68137 -242.80072 3.88065 1.79776 -242.82055 319.37775
9010.0000 -246.85655 -243.24487 3.61169 1.78382 -243.11065 312.14008
9015.0000 -246.52051 -243.16901 3.35149 1.79757 -242.82444 316.52797
9020.0000 -246.29082 -242.65745 3.63337 1.78899 -243.00318 309.04241
9025.0000 -246.40583 -242.64820 3.75763 1.82511 -242.25100 336.90201
9030.0000 -247.29729 -243.75034 3.54695 1.79064 -242.96883 311.58448
9035.0000 -247.19628 -243.78674 3.40954 1.75711 -243.66691 284.54656
9040.0000 -247.05914 -243.63166 3.42748 1.74317 -243.95702 274.96280
9045.0000 -247.02860 -243.07123 3.95737 1.76719 -243.45699 293.93782
9050.0000 -247.54740 -243.54824 3.99916 1.77599 -243.27379 302.45382
9055.0000 -247.48727 -243.94672 3.54055 1.75022 -243.81036 281.58045
9060.0000 -246.97139 -243.19867 3.77272 1.74874 -243.84109 277.41088
9065.0000 -247.02455 -243.06625 3.95830 1.77753 -243.24164 300.77186
9070.0000 -246.87718 -242.64252 4.23466 1.78905 -243.00188 311.63546
9075.0000 -246.87356 -243.39367 3.47989 1.78052 -243.17946 303.58052
9080.0000 -246.89601 -242.81603 4.07998 1.77805 -243.23089 302.08949
9085.0000 -246.96248 -243.37298 3.58950 1.78005 -243.18926 302.90389
9090.0000 -247.61415 -244.06629 3.54786 1.76812 -243.43755 297.20125
9095.0000 -247.15881 -244.02078 3.13803 1.72976 -244.23622 264.58472
9100.0000 -246.82812 -243.53366 3.29446 1.75103 -243.79332 283.49551
9105.0000 -246.81686 -243.41550 3.40136 1.77117 -243.37412 296.99484
9110.0000 -246.57745 -243.35744 3.22001 1.77887 -243.21381 301.56828
9115.0000 -247.53904 -243.99404 3.54501 1.74108 -244.00062 272.47949
9120.0000 -246.96281 -243.27526 3.68755 1.78658 -243.05334 309.20170
9125.0000 -246.79740 -242.82028 3.97712 1.78938 -242.99506 312.43775
9130.0000 -246.67352 -242.54377 4.12975 1.79783 -242.81896 319.47847
9135.0000 -247.14587 -243.37745 3.76842 1.77076 -243.38264 297.35264
9140.0000 -247.27089 -243.46362 3.80727 1.76534 -243.49546 292.10301
9145.0000 -247.00179 -243.30946 3.69232 1.78324 -243.12285 308.28827
9150.0000 -246.63322 -243.41688 3.21633 1.79463 -242.88574 314.30533
9155.0000 -246.74150 -243.17647 3.56504 1.78430 -243.10071 307.06547
9160.0000 -246.92488 -242.85268 4.07220 1.78727 -243.03890 307.29436
9165.0000 -246.57481 -242.63148 3.94333 1.78274 -243.13314 306.61749
9170.0000 -247.28864 -243.02029 4.26835 1.77526 -243.28903 300.57053
9175.0000 -246.83105 -243.46078 3.37027 1.78490 -243.08820 307.11822
9180.0000 -247.86292 -243.87683 3.98609 1.76401 -243.52323 290.36206
9185.0000 -247.14267 -243.66340 3.47926 1.77173 -243.36246 300.57249
9190.0000 -246.88789 -243.81118 3.07671 1.74111 -243.99991 274.53232
9195.0000 -247.06028 -243.61807 3.44222 1.76459 -243.51118 291.48076
9200.0000 -247.16402 -243.87976 3.28426 1.75464 -243.71819 282.96748
9205.0000 -247.19302 -243.66523 3.52779 1.74969 -243.82127 281.55011
9210.0000 -246.59116 -243.02904 3.56211 1.76792 -243.44170 293.47266
9215.0000 -247.40478 -243.63305 3.77173 1.77468 -243.30111 299.90007
9220.0000 -246.87872 -243.23723 3.64149 1.75938 -243.61953 287.28068
9225.0000 -246.68812 -243.31262 3.37550 1.75488 -243.71330 283.45890
9230.0000 -247.11349 -243.63037 3.48312 1.76181 -243.56906 289.82283
9235.0000 -246.73857 -243.49519 3.24338 1.76350 -243.53378 288.46648
9240.0000 -247.31776 -243.55861 3.75915 1.76210 -243.56296 290.57237
9245.0000 -247.26986 -243.89508 3.37479 1.75303 -243.75173 282.90203
9250.0000 -246.86825 -243.23492 3.63333 1.75183 -243.77666 281.62308
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 18 [min], 2.1578651 [s].
main_MD> Deallocating global variables
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