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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_90/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_90.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 = 90 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 90 9000
main_MD> Size of nv and nvoiz: 90 9000
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 = 90
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.14521918029821959 7.5389957252588305E-002 -6.1316135066397076E-002 initial drift of cluster / NP1 for coalescence
init> 0.31786835607367481 0.33578925254005726 0.30111970694196738 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7254252755716676E-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) 4.50492 2.91205 -0.16091
force_rgl> df(natom) -3.75008 0.89178 1.92526
preparo> THERMALIZATION PROCESS AT 1206.1511800206831
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -200.19803382934197 15.166196347584346 -215.36423017692630 6.8362271332470361E-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 36
FREEZING PROCESS: loop number 1 T-loop= 1179.0000000000000
main_MD> interactions number 1 at Temperature= 1179.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31152 0.31399 -1.57478
force_rgl> df(natom) -1.36267 1.92133 0.97734
5.0000 -213.22493 -201.11850 12.10644 3.27999 -199.62792 1173.38482
10.0000 -213.18680 -199.62182 13.56498 3.23733 -200.48468 1162.02986
15.0000 -214.15921 -199.50738 14.65184 3.29340 -199.35878 1189.22362
20.0000 -214.06388 -198.20954 15.85434 3.19814 -201.27183 1149.12179
25.0000 -212.67662 -196.59076 16.08586 3.34007 -198.42148 1217.18137
30.0000 -211.97161 -196.44496 15.52665 3.40191 -197.17941 1289.61467
35.0000 -214.26114 -199.62510 14.63603 3.42145 -196.78697 1293.53511
40.0000 -210.52614 -196.27594 14.25020 3.39010 -197.41664 1260.92859
45.0000 -212.37402 -196.88627 15.48775 3.46273 -195.95797 1293.73147
50.0000 -215.08183 -200.69155 14.39028 3.27626 -199.70284 1157.65860
55.0000 -214.52186 -203.20987 11.31199 3.18317 -201.57241 1110.17206
60.0000 -214.02286 -200.59556 13.42730 3.21405 -200.95235 1137.16500
65.0000 -215.08688 -200.68779 14.39908 3.22565 -200.71926 1186.42833
70.0000 -214.94480 -200.23385 14.71096 3.22945 -200.64304 1163.45684
75.0000 -214.00187 -199.25738 14.74448 3.24682 -200.29425 1163.79163
80.0000 -212.46631 -198.09609 14.37022 3.35281 -198.16549 1229.96939
85.0000 -212.63125 -199.15707 13.47418 3.27458 -199.73675 1202.71741
90.0000 -213.40048 -200.75797 12.64250 3.26363 -199.95653 1182.12835
95.0000 -213.21869 -202.42748 10.79120 3.21638 -200.90541 1161.60994
100.0000 -215.52605 -202.73978 12.78627 3.13490 -202.54182 1105.61031
105.0000 -213.73702 -199.41494 14.32208 3.21902 -200.85243 1131.96644
110.0000 -210.83130 -197.46072 13.37058 3.35651 -198.09116 1238.34788
115.0000 -214.64679 -200.69249 13.95429 3.25551 -200.11959 1173.71211
120.0000 -214.63505 -200.83299 13.80205 3.21152 -201.00310 1160.84973
125.0000 -213.06680 -197.91252 15.15428 3.28075 -199.61269 1218.61719
130.0000 -213.44787 -200.62013 12.82774 3.33140 -198.59550 1212.59753
135.0000 -214.05087 -198.92605 15.12482 3.28194 -199.58893 1193.08606
140.0000 -214.23670 -201.01695 13.21976 3.19117 -201.41182 1164.24188
145.0000 -212.39590 -199.88891 12.50698 3.20493 -201.13534 1168.89529
150.0000 -213.64401 -199.25654 14.38747 3.25039 -200.22245 1191.80865
155.0000 -214.41461 -198.78243 15.63218 3.29971 -199.23194 1223.08006
160.0000 -214.08057 -199.10523 14.97534 3.31118 -199.00154 1199.28792
165.0000 -214.12972 -202.61570 11.51401 3.15805 -202.07692 1118.13019
170.0000 -214.64465 -201.61125 13.03340 3.16683 -201.90053 1137.91535
175.0000 -212.28774 -199.40579 12.88196 3.21470 -200.93928 1167.74736
180.0000 -212.34446 -200.46676 11.87770 3.25764 -200.07690 1184.14272
185.0000 -214.25901 -199.75988 14.49913 3.24140 -200.40292 1174.07276
190.0000 -213.44937 -196.65401 16.79536 3.33870 -198.44889 1248.47683
195.0000 -212.68798 -198.09922 14.58876 3.37991 -197.62134 1235.42181
200.0000 -213.97693 -201.92001 12.05692 3.29788 -199.26876 1221.33491
205.0000 -211.12870 -194.29394 16.83476 3.40806 -197.05591 1260.02624
210.0000 -211.35744 -197.64504 13.71240 3.42557 -196.70438 1287.64927
215.0000 -214.30826 -199.03108 15.27718 3.31401 -198.94486 1184.34654
220.0000 -211.58077 -195.78425 15.79653 3.35241 -198.17355 1226.80721
225.0000 -209.76914 -196.37585 13.39329 3.37230 -197.77413 1240.65069
230.0000 -213.86128 -198.89476 14.96652 3.44876 -196.23862 1309.62398
235.0000 -212.64523 -196.52278 16.12245 3.30475 -199.13070 1262.91248
240.0000 -214.31441 -199.66772 14.64669 3.34181 -198.38651 1236.24438
245.0000 -211.36356 -200.33505 11.02850 3.31100 -199.00519 1206.20388
250.0000 -214.46272 -202.90629 11.55643 3.22140 -200.80464 1175.82000
FREEZING PROCESS: loop number 2 T-loop= 1154.0000000000000
main_MD> interactions number 2 at Temperature= 1154.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49160 -1.28284 -4.16904
force_rgl> df(natom) 4.11453 0.82356 0.63570
255.0000 -212.45936 -199.07317 13.38619 3.21312 -200.97095 1137.17500
260.0000 -210.35790 -195.45334 14.90455 3.39357 -197.34692 1258.58653
265.0000 -214.02044 -199.14562 14.87482 3.37955 -197.62852 1266.35169
270.0000 -215.80377 -202.22585 13.57792 3.17331 -201.77035 1147.74937
275.0000 -215.80233 -201.89495 13.90738 3.15123 -202.21392 1134.16903
280.0000 -217.61041 -203.45547 14.15494 3.13726 -202.49448 1137.11481
285.0000 -212.53726 -198.68313 13.85413 3.18464 -201.54298 1155.85574
290.0000 -213.15584 -197.91799 15.23785 3.28512 -199.52493 1189.55374
295.0000 -212.97834 -197.98475 14.99359 3.36438 -197.93322 1266.51807
300.0000 -213.34506 -199.76442 13.58064 3.34841 -198.25387 1254.22796
305.0000 -214.00187 -201.06338 12.93849 3.21139 -201.00576 1156.16730
310.0000 -216.71044 -203.91270 12.79774 3.09003 -203.44302 1034.12305
315.0000 -213.20154 -200.31406 12.88748 3.14676 -202.30367 1086.87586
320.0000 -213.97894 -201.69732 12.28161 3.23333 -200.56498 1166.99998
325.0000 -214.69657 -201.00201 13.69457 3.20261 -201.18204 1134.17230
330.0000 -217.72541 -204.01276 13.71265 3.13000 -202.64030 1111.80666
335.0000 -214.17100 -200.95403 13.21697 3.14572 -202.32446 1100.95743
340.0000 -215.31803 -202.63803 12.68000 3.17208 -201.79513 1130.52329
345.0000 -210.67423 -197.12797 13.54627 3.26815 -199.86582 1170.06510
350.0000 -213.21850 -198.02515 15.19335 3.37720 -197.67582 1244.05584
355.0000 -213.81247 -199.92586 13.88662 3.32273 -198.76966 1211.03705
360.0000 -215.22809 -202.34414 12.88395 3.16302 -201.97712 1101.80309
365.0000 -213.54532 -200.23486 13.31046 3.16730 -201.89122 1126.90896
370.0000 -212.20914 -197.94980 14.25934 3.35849 -198.05142 1250.23001
375.0000 -212.23539 -196.19033 16.04506 3.50437 -195.12186 1341.83945
380.0000 -208.79417 -194.92249 13.87168 3.41321 -196.95259 1278.17660
385.0000 -211.97666 -198.70872 13.26794 3.44379 -196.33839 1293.65654
390.0000 -213.21076 -199.09081 14.11995 3.29175 -199.39187 1188.61016
395.0000 -215.65854 -203.24138 12.41716 3.17195 -201.79768 1141.19822
400.0000 -215.42260 -201.51729 13.90531 3.19266 -201.38188 1141.80337
405.0000 -215.72990 -203.08026 12.64965 3.10187 -203.20515 1092.21329
410.0000 -217.14861 -205.11450 12.03412 3.06162 -204.01360 1053.00759
415.0000 -215.27388 -202.01753 13.25636 3.06732 -203.89896 1065.18174
420.0000 -214.65948 -203.44176 11.21772 3.12171 -202.80670 1113.55890
425.0000 -214.71083 -202.42452 12.28631 3.12972 -202.64579 1111.58138
430.0000 -213.56235 -200.47148 13.09087 3.21917 -200.84951 1147.38832
435.0000 -215.97378 -200.75884 15.21494 3.24460 -200.33871 1199.02432
440.0000 -213.19829 -199.54823 13.65007 3.25218 -200.18654 1201.93421
445.0000 -211.19983 -197.44555 13.75428 3.33878 -198.44727 1250.06420
450.0000 -214.34265 -199.68246 14.66019 3.30500 -199.12575 1197.11653
455.0000 -212.93082 -199.95093 12.97989 3.23717 -200.48795 1165.44895
460.0000 -214.26760 -201.04549 13.22211 3.21957 -200.84132 1150.57732
465.0000 -214.07523 -200.63224 13.44299 3.24053 -200.42050 1156.48993
470.0000 -214.76416 -201.07398 13.69018 3.22545 -200.72338 1184.47954
475.0000 -214.30448 -199.36717 14.93731 3.27181 -199.79235 1195.11904
480.0000 -212.44494 -198.81277 13.63218 3.32116 -198.80110 1248.67378
485.0000 -212.17682 -197.48933 14.68749 3.35798 -198.06167 1232.95473
490.0000 -214.65621 -198.67960 15.97661 3.33635 -198.49610 1214.86700
495.0000 -212.23810 -198.25129 13.98681 3.30632 -199.09923 1180.50837
500.0000 -213.64901 -198.53753 15.11148 3.37808 -197.65806 1270.73791
FREEZING PROCESS: loop number 3 T-loop= 1129.0000000000000
main_MD> interactions number 3 at Temperature= 1129.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08411 -1.55769 1.65872
force_rgl> df(natom) -1.73585 -4.40654 -5.70143
505.0000 -212.83313 -200.30420 12.52893 3.29864 -199.25346 1220.45906
510.0000 -215.14822 -198.59468 16.55354 3.27949 -199.63797 1212.04551
515.0000 -214.84315 -201.60698 13.23617 3.25003 -200.22962 1195.12997
520.0000 -214.84481 -202.31439 12.53042 3.22509 -200.73050 1181.71784
525.0000 -214.69519 -200.90531 13.78988 3.16541 -201.92916 1112.35881
530.0000 -214.17112 -200.06721 14.10391 3.26051 -200.01926 1139.92384
535.0000 -214.11590 -201.31476 12.80115 3.22433 -200.74577 1155.86813
540.0000 -215.12232 -200.74418 14.37814 3.23349 -200.56185 1171.50126
545.0000 -214.58985 -199.74998 14.83987 3.22880 -200.65609 1144.54327
550.0000 -213.72878 -202.23864 11.49015 3.19466 -201.34172 1113.85049
555.0000 -216.07351 -202.98208 13.09143 3.13338 -202.57233 1104.71226
560.0000 -217.75371 -205.05558 12.69813 3.13185 -202.60308 1119.96201
565.0000 -216.25384 -203.36563 12.88820 3.10551 -203.13212 1102.67544
570.0000 -215.22449 -203.45743 11.76706 3.10950 -203.05193 1091.63132
575.0000 -214.01535 -200.96702 13.04834 3.16422 -201.95303 1128.87955
580.0000 -216.75695 -203.92621 12.83074 3.15083 -202.22198 1103.65908
585.0000 -216.69877 -203.83689 12.86187 3.10895 -203.06298 1089.30745
590.0000 -213.57027 -200.95940 12.61087 3.15284 -202.18153 1102.82855
595.0000 -215.69215 -200.07240 15.61975 3.27415 -199.74527 1183.89554
600.0000 -214.69518 -201.74030 12.95488 3.21641 -200.90490 1154.07398
605.0000 -213.75834 -200.35151 13.40683 3.23177 -200.59649 1186.00528
610.0000 -211.47647 -199.31902 12.15745 3.22791 -200.67398 1169.46989
615.0000 -214.69081 -199.93701 14.75380 3.27113 -199.80600 1173.97517
620.0000 -214.74924 -200.85834 13.89090 3.21744 -200.88428 1179.72112
625.0000 -213.00252 -200.89679 12.10574 3.25551 -200.11953 1165.97916
630.0000 -212.78448 -197.96969 14.81479 3.31308 -198.96337 1199.88721
635.0000 -214.11079 -201.88131 12.22949 3.20114 -201.21159 1148.42233
640.0000 -215.33121 -204.07857 11.25264 3.13017 -202.63683 1089.02955
645.0000 -215.73290 -204.53802 11.19488 3.13566 -202.52651 1112.00232
650.0000 -213.57791 -200.36215 13.21577 3.18185 -201.59897 1132.40838
655.0000 -213.37943 -200.38942 12.99001 3.28859 -199.45528 1189.75708
660.0000 -215.08914 -202.87887 12.21027 3.21467 -200.93974 1176.82498
665.0000 -213.99274 -201.31323 12.67951 3.17659 -201.70457 1143.99024
670.0000 -217.84259 -204.57520 13.26739 3.10695 -203.10322 1089.46288
675.0000 -212.44419 -201.25488 11.18931 3.12029 -202.83535 1105.29393
680.0000 -215.04572 -200.54424 14.50147 3.28352 -199.55706 1183.82678
685.0000 -215.93845 -200.78158 15.15688 3.24070 -200.41715 1183.13607
690.0000 -217.27296 -203.92371 13.34925 3.22140 -200.80465 1158.72912
695.0000 -216.46676 -202.71182 13.75494 3.10299 -203.18270 1117.78003
700.0000 -213.52550 -199.68998 13.83552 3.22269 -200.77873 1177.52131
705.0000 -215.65603 -204.21450 11.44152 3.12307 -202.77949 1073.36427
710.0000 -215.94753 -204.04864 11.89890 3.09104 -203.42263 1090.76305
715.0000 -213.51793 -199.79875 13.71918 3.11437 -202.95416 1101.42978
720.0000 -212.56868 -198.78751 13.78117 3.27599 -199.70824 1198.32156
725.0000 -213.75164 -200.49720 13.25444 3.35857 -198.04987 1256.94523
730.0000 -214.55994 -202.17104 12.38889 3.14546 -202.32986 1104.39289
735.0000 -214.39230 -201.10169 13.29060 3.24917 -200.24689 1163.25666
740.0000 -214.42878 -199.11667 15.31210 3.31880 -198.84864 1215.89602
745.0000 -214.90574 -201.22949 13.67625 3.25725 -200.08473 1171.47206
750.0000 -213.88317 -201.07311 12.81006 3.22681 -200.69606 1131.31565
FREEZING PROCESS: loop number 4 T-loop= 1104.0000000000000
main_MD> interactions number 4 at Temperature= 1104.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.94873 1.80987 4.23768
force_rgl> df(natom) 0.38485 1.15264 -4.06370
755.0000 -216.54007 -202.94109 13.59898 3.12145 -202.81187 1102.25883
760.0000 -216.97812 -202.95892 14.01920 3.08942 -203.45531 1060.62503
765.0000 -213.98363 -200.76856 13.21507 3.20011 -201.23213 1135.24918
770.0000 -215.06582 -202.45805 12.60777 3.15493 -202.13954 1094.55726
775.0000 -215.99412 -201.91403 14.08009 3.09571 -203.32893 1090.26716
780.0000 -213.65698 -202.14637 11.51061 3.16029 -202.03185 1128.59246
785.0000 -214.13758 -199.51277 14.62481 3.18835 -201.46840 1139.52751
790.0000 -214.50880 -201.81655 12.69225 3.22608 -200.71065 1155.60105
795.0000 -212.44703 -200.14305 12.30398 3.16289 -201.97963 1139.77793
800.0000 -215.24327 -201.95800 13.28527 3.24397 -200.35139 1168.77348
805.0000 -216.16258 -203.74870 12.41388 3.11142 -203.01336 1080.05473
810.0000 -216.82910 -203.23913 13.58997 3.06752 -203.89509 1048.09147
815.0000 -217.13385 -203.84304 13.29082 2.99759 -205.29938 1012.18353
820.0000 -217.41955 -203.94341 13.47614 3.01870 -204.87541 1024.65321
825.0000 -217.75643 -204.15207 13.60435 3.01364 -204.97714 1053.79581
830.0000 -215.84867 -203.78137 12.06731 3.04505 -204.34624 1068.65725
835.0000 -215.58601 -201.91384 13.67217 3.12522 -202.73614 1105.73949
840.0000 -215.31158 -203.30842 12.00316 3.12185 -202.80400 1081.89857
845.0000 -213.87799 -201.17261 12.70538 3.11444 -202.95265 1076.59225
850.0000 -214.64692 -201.69473 12.95219 3.28919 -199.44333 1181.40232
855.0000 -216.86661 -204.61742 12.24919 3.07679 -203.70891 1078.95058
860.0000 -215.84830 -203.27389 12.57441 3.06855 -203.87433 1052.16185
865.0000 -214.98005 -202.85056 12.12949 3.09246 -203.39420 1100.17975
870.0000 -215.46850 -202.35201 13.11649 3.12640 -202.71252 1109.89742
875.0000 -214.03345 -201.00413 13.02931 3.16266 -201.98441 1098.72084
880.0000 -214.11500 -200.86165 13.25335 3.22100 -200.81260 1173.47629
885.0000 -214.89341 -198.44655 16.44686 3.24290 -200.37282 1162.15929
890.0000 -214.41552 -199.66692 14.74860 3.31344 -198.95625 1228.97975
895.0000 -214.61838 -199.89485 14.72354 3.28559 -199.51550 1191.13754
900.0000 -215.97218 -199.78631 16.18587 3.24268 -200.37721 1211.09332
905.0000 -214.20576 -201.31112 12.89464 3.24670 -200.29655 1172.74567
910.0000 -217.50461 -203.28109 14.22353 3.18344 -201.56707 1128.14367
915.0000 -216.43932 -202.75265 13.68668 3.05687 -204.10900 1049.49531
920.0000 -215.38419 -201.56888 13.81531 3.13018 -202.63662 1094.68528
925.0000 -218.06002 -204.40219 13.65783 3.13308 -202.57836 1064.24631
930.0000 -214.69003 -203.81501 10.87502 3.03032 -204.64220 1019.59829
935.0000 -215.80469 -203.46307 12.34162 3.11126 -203.01659 1093.10440
940.0000 -214.93293 -201.25676 13.67617 3.14527 -202.33361 1097.44967
945.0000 -211.09311 -198.24093 12.85219 3.29928 -199.24057 1167.06171
950.0000 -214.77359 -201.84005 12.93354 3.26368 -199.95561 1212.43779
955.0000 -213.18115 -201.52464 11.65652 3.16423 -201.95283 1137.71900
960.0000 -216.42285 -204.53563 11.88722 3.10570 -203.12823 1076.41479
965.0000 -215.07505 -202.30654 12.76850 3.06303 -203.98530 1080.80942
970.0000 -215.74498 -200.37281 15.37218 3.15391 -202.16006 1108.64790
975.0000 -213.27701 -201.43498 11.84203 3.20486 -201.13690 1157.48706
980.0000 -215.78760 -204.08165 11.70595 3.11557 -202.93003 1112.43457
985.0000 -216.22168 -202.39782 13.82385 3.08681 -203.50762 1091.42900
990.0000 -215.79912 -203.96958 11.82954 3.12365 -202.76780 1120.48065
995.0000 -214.56131 -202.94792 11.61339 3.07576 -203.72953 1062.91883
1000.0000 -215.91883 -203.66999 12.24885 3.07661 -203.71253 1071.86406
FREEZING PROCESS: loop number 5 T-loop= 1079.0000000000000
main_MD> interactions number 5 at Temperature= 1079.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.05012 5.31968 -0.96998
force_rgl> df(natom) -0.61367 2.42094 -2.12522
1005.0000 -216.26346 -205.07554 11.18793 3.09100 -203.42346 1076.28296
1010.0000 -218.33820 -205.78391 12.55430 2.92231 -206.81128 983.96858
1015.0000 -215.90480 -205.31850 10.58631 2.98525 -205.54731 1006.63270
1020.0000 -217.19441 -205.25013 11.94428 3.03226 -204.60321 1037.38068
1025.0000 -217.36525 -206.13725 11.22801 2.96362 -205.98162 985.34910
1030.0000 -215.49068 -203.59338 11.89730 2.98743 -205.50356 1004.09900
1035.0000 -215.98934 -204.58457 11.40477 3.11365 -202.96865 1084.63818
1040.0000 -215.29541 -203.29782 11.99759 3.05597 -204.12705 1053.91428
1045.0000 -215.83664 -202.53490 13.30174 3.17663 -201.70377 1107.68499
1050.0000 -214.37795 -201.97879 12.39915 3.11287 -202.98429 1079.89183
1055.0000 -216.27706 -201.94071 14.33635 3.18909 -201.45349 1138.27685
1060.0000 -215.66952 -201.38815 14.28137 3.12976 -202.64511 1095.57752
1065.0000 -213.03279 -199.33027 13.70251 3.20244 -201.18541 1180.79711
1070.0000 -216.12975 -204.03100 12.09875 3.14060 -202.42734 1101.66695
1075.0000 -219.17432 -205.61130 13.56302 2.96665 -205.92083 1022.44956
1080.0000 -215.09502 -204.87020 10.22481 3.06503 -203.94496 1066.14026
1085.0000 -216.45281 -203.73591 12.71690 3.03111 -204.62632 1023.14845
1090.0000 -217.45338 -203.94031 13.51307 3.05852 -204.07584 1059.97096
1095.0000 -214.72037 -202.77136 11.94901 3.13841 -202.47142 1113.06133
1100.0000 -213.88574 -199.19010 14.69564 3.19700 -201.29472 1121.54177
1105.0000 -214.82325 -202.95268 11.87057 3.21421 -200.94903 1151.65220
1110.0000 -216.31533 -202.52533 13.78999 3.17882 -201.65989 1135.08891
1115.0000 -216.43033 -202.42996 14.00038 3.15743 -202.08930 1113.82665
1120.0000 -214.39329 -198.82732 15.56598 3.26148 -199.99979 1198.83816
1125.0000 -217.84043 -203.92582 13.91461 3.17209 -201.79504 1153.64458
1130.0000 -215.97362 -204.39220 11.58142 3.04263 -204.39493 1026.86216
1135.0000 -217.46460 -205.39325 12.07135 3.03194 -204.60954 1055.64247
1140.0000 -218.59070 -206.09174 12.49896 2.96905 -205.87270 988.49144
1145.0000 -214.69755 -204.42597 10.27158 3.04699 -204.30735 1005.59800
1150.0000 -216.79419 -204.78540 12.00879 3.04502 -204.34692 1019.70003
1155.0000 -213.97824 -202.23707 11.74117 3.03480 -204.55212 1022.15141
1160.0000 -214.88620 -203.00296 11.88324 3.17526 -201.73132 1159.04951
1165.0000 -214.65832 -201.43009 13.22824 3.17496 -201.73724 1146.53857
1170.0000 -216.38401 -204.51908 11.86492 3.07216 -203.80182 1077.45332
1175.0000 -213.64995 -200.32396 13.32600 3.15008 -202.23704 1147.31459
1180.0000 -213.62412 -197.77672 15.84740 3.28449 -199.53764 1185.08001
1185.0000 -212.01082 -198.32248 13.68834 3.35247 -198.17230 1202.26205
1190.0000 -213.96951 -200.17871 13.79079 3.25013 -200.22772 1134.85855
1195.0000 -214.24964 -201.14100 13.10865 3.17464 -201.74382 1118.12248
1200.0000 -215.26532 -202.33982 12.92550 3.14177 -202.40392 1097.72845
1205.0000 -213.75863 -200.54131 13.21732 3.17862 -201.66376 1128.68782
1210.0000 -213.10811 -201.06586 12.04224 3.25642 -200.10132 1181.46623
1215.0000 -217.82423 -206.36044 11.46379 3.07505 -203.74378 1079.86819
1220.0000 -217.01741 -206.35172 10.66569 2.92046 -206.84846 972.93821
1225.0000 -218.74034 -207.89610 10.84425 2.94748 -206.30577 983.24922
1230.0000 -218.35484 -207.34971 11.00513 2.90533 -207.15221 975.71290
1235.0000 -218.85732 -205.60497 13.25235 2.93854 -206.48541 1010.71402
1240.0000 -215.03826 -202.62394 12.41432 3.02933 -204.66199 1048.62272
1245.0000 -213.13463 -202.01398 11.12065 3.12383 -202.76408 1111.89872
1250.0000 -216.51024 -202.97149 13.53875 3.18222 -201.59149 1132.60919
FREEZING PROCESS: loop number 6 T-loop= 1054.0000000000000
main_MD> interactions number 6 at Temperature= 1054.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.69447 -0.70132 0.17031
force_rgl> df(natom) -0.49548 -1.50254 -3.09361
1255.0000 -215.66148 -203.56393 12.09755 3.06650 -203.91554 1043.78747
1260.0000 -215.92350 -203.82399 12.09951 3.08947 -203.45412 1058.90468
1265.0000 -216.17008 -202.71034 13.45974 3.09979 -203.24702 1102.49300
1270.0000 -216.11971 -203.02400 13.09572 3.11254 -202.99096 1083.30505
1275.0000 -216.13115 -205.29278 10.83837 3.06814 -203.88266 1075.77147
1280.0000 -216.05477 -204.82033 11.23444 3.07341 -203.77670 1047.91530
1285.0000 -217.00653 -205.11232 11.89421 3.00484 -205.15390 1040.01604
1290.0000 -217.46420 -203.05939 14.40481 3.02185 -204.81224 1043.67626
1295.0000 -218.42074 -206.34904 12.07170 3.00677 -205.11502 1039.63610
1300.0000 -218.76658 -204.90888 13.85771 3.02373 -204.77447 1052.40966
1305.0000 -214.51705 -201.96127 12.55579 3.10401 -203.16227 1100.21289
1310.0000 -216.72820 -204.20582 12.52239 3.05793 -204.08771 1046.14455
1315.0000 -216.93996 -204.81173 12.12823 3.04100 -204.42764 1076.36010
1320.0000 -216.18037 -204.34982 11.83055 3.07789 -203.68671 1063.69454
1325.0000 -216.94240 -202.66758 14.27482 3.04808 -204.28552 1047.54977
1330.0000 -217.35309 -203.63659 13.71649 3.08488 -203.54643 1087.22896
1335.0000 -215.76940 -203.99757 11.77184 3.08504 -203.54327 1074.72047
1340.0000 -216.24244 -203.63117 12.61127 3.06152 -204.01550 1054.07254
1345.0000 -218.90686 -207.85379 11.05307 3.03232 -204.60188 1053.33571
1350.0000 -215.79135 -202.70681 13.08455 2.99978 -205.25548 1008.88808
1355.0000 -217.39474 -204.84530 12.54943 3.05301 -204.18651 1034.41904
1360.0000 -219.30530 -205.52485 13.78045 2.97120 -205.82939 992.57509
1365.0000 -218.94216 -208.17341 10.76875 2.90022 -207.25495 954.42275
1370.0000 -217.85304 -205.83101 12.02203 2.92336 -206.79026 970.91999
1375.0000 -216.74378 -207.04831 9.69547 2.92831 -206.69084 961.72327
1380.0000 -216.72795 -206.28364 10.44431 2.91944 -206.86897 966.57960
1385.0000 -217.18417 -205.52688 11.65729 3.02277 -204.79375 1010.32075
1390.0000 -216.67649 -203.96982 12.70667 3.05783 -204.08969 1038.52831
1395.0000 -215.69721 -203.34795 12.34926 3.00755 -205.09936 1001.95221
1400.0000 -215.93151 -202.75291 13.17860 3.09252 -203.39301 1068.01804
1405.0000 -216.38591 -204.55370 11.83222 3.11011 -203.03975 1076.08589
1410.0000 -216.35003 -203.84949 12.50055 3.08909 -203.46188 1082.98143
1415.0000 -218.35084 -205.60846 12.74237 3.03017 -204.64522 1039.82619
1420.0000 -217.93050 -206.48715 11.44334 3.00327 -205.18542 1005.85539
1425.0000 -215.88976 -203.05537 12.83439 3.04744 -204.29821 1041.61010
1430.0000 -215.37691 -205.29581 10.08110 3.08169 -203.61049 1069.10560
1435.0000 -218.02493 -204.77740 13.24753 2.98453 -205.56164 1023.56336
1440.0000 -215.45121 -204.46071 10.99051 3.07625 -203.71975 1082.55088
1445.0000 -217.04568 -203.80207 13.24361 3.04878 -204.27139 1084.94615
1450.0000 -216.67542 -203.38800 13.28742 3.07479 -203.74900 1068.90159
1455.0000 -216.67083 -205.83813 10.83271 3.04788 -204.28939 1063.43605
1460.0000 -216.34204 -205.38271 10.95933 2.97360 -205.78118 998.54755
1465.0000 -215.97229 -205.60216 10.37013 2.99955 -205.26008 1015.77997
1470.0000 -217.04750 -204.61222 12.43528 3.05010 -204.24482 1029.39690
1475.0000 -216.04092 -201.69332 14.34760 3.08497 -203.54460 1074.50087
1480.0000 -214.13941 -203.07376 11.06564 3.21536 -200.92604 1142.52102
1485.0000 -215.39255 -202.03781 13.35474 3.12621 -202.71642 1106.27819
1490.0000 -216.11485 -204.24798 11.86687 3.08934 -203.45684 1073.73944
1495.0000 -216.20612 -203.21040 12.99572 3.08453 -203.55338 1029.10338
1500.0000 -215.29866 -203.35933 11.93933 3.09617 -203.31961 1052.16589
FREEZING PROCESS: loop number 7 T-loop= 1029.0000000000000
main_MD> interactions number 7 at Temperature= 1029.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.93129 -7.77558 0.80796
force_rgl> df(natom) 1.90291 3.41740 0.51081
1505.0000 -214.90040 -200.90715 13.99324 3.22548 -200.72281 1126.41035
1510.0000 -217.48498 -205.57945 11.90553 3.14070 -202.42544 1093.12499
1515.0000 -217.81983 -205.73035 12.08947 2.92852 -206.68665 978.65137
1520.0000 -216.75698 -205.83807 10.91891 2.98643 -205.52350 985.08837
1525.0000 -216.94233 -205.06720 11.87513 2.99751 -205.30107 1010.17510
1530.0000 -218.10160 -206.82343 11.27817 2.94834 -206.28846 993.00147
1535.0000 -217.99344 -206.50617 11.48727 2.92014 -206.85476 980.82289
1540.0000 -216.28395 -204.19646 12.08750 2.96978 -205.85793 1028.67130
1545.0000 -215.67714 -202.91991 12.75723 3.06920 -203.86119 1074.80658
1550.0000 -217.42135 -205.13792 12.28342 3.06454 -203.95493 1064.40576
1555.0000 -218.71862 -207.71527 11.00335 2.94330 -206.38978 979.67711
1560.0000 -216.85478 -204.69561 12.15917 2.99703 -205.31066 994.98650
1565.0000 -216.88826 -206.41703 10.47124 3.00435 -205.16363 1032.63951
1570.0000 -215.72664 -202.89017 12.83648 3.03280 -204.59235 1035.95069
1575.0000 -216.19746 -204.25590 11.94156 3.05298 -204.18700 1059.94250
1580.0000 -218.12282 -206.84078 11.28204 2.96727 -205.90839 995.81840
1585.0000 -217.76094 -205.76730 11.99364 2.96635 -205.92684 1034.22385
1590.0000 -219.50057 -207.62675 11.87381 2.94633 -206.32893 1006.18326
1595.0000 -219.10443 -208.16397 10.94046 2.93019 -206.65304 970.95669
1600.0000 -218.73667 -208.61696 10.11971 2.86361 -207.99017 925.69091
1605.0000 -218.00969 -205.22342 12.78627 2.89001 -207.45998 963.61826
1610.0000 -217.32273 -202.88943 14.43330 3.01219 -205.00621 1045.02113
1615.0000 -216.35213 -204.32922 12.02291 3.12188 -202.80336 1119.03771
1620.0000 -216.57482 -201.98246 14.59236 3.11723 -202.89679 1098.27008
1625.0000 -215.10522 -203.34912 11.75610 3.12160 -202.80897 1098.74066
1630.0000 -217.22751 -204.53079 12.69672 3.06988 -203.84765 1074.95905
1635.0000 -218.66062 -206.48508 12.17554 2.98719 -205.50837 1010.03000
1640.0000 -219.81991 -207.25987 12.56003 2.93132 -206.63042 968.56028
1645.0000 -217.81108 -205.10730 12.70378 2.92257 -206.80600 974.85851
1650.0000 -218.41368 -206.25155 12.16213 3.02747 -204.69941 1054.15917
1655.0000 -218.27605 -206.52139 11.75466 2.92723 -206.71252 968.06611
1660.0000 -217.76204 -206.71396 11.04809 2.95531 -206.14851 976.21583
1665.0000 -217.74660 -207.49646 10.25014 2.87455 -207.77039 957.65084
1670.0000 -218.56482 -205.74816 12.81666 2.96565 -205.94095 1030.49823
1675.0000 -216.41883 -205.50534 10.91349 3.02952 -204.65828 1045.36620
1680.0000 -216.56931 -204.81745 11.75186 2.96947 -205.86414 1009.64511
1685.0000 -218.28496 -207.38311 10.90184 2.98789 -205.49427 1003.08854
1690.0000 -219.69115 -206.44106 13.25009 2.96979 -205.85779 987.86012
1695.0000 -218.42886 -207.63128 10.79758 2.92123 -206.83300 966.95800
1700.0000 -219.65137 -207.99443 11.65695 2.90975 -207.06358 953.63137
1705.0000 -218.05329 -205.83151 12.22179 2.92243 -206.80884 959.13474
1710.0000 -218.06138 -207.14274 10.91864 2.91866 -206.88451 938.29228
1715.0000 -215.65795 -202.44069 13.21726 3.03075 -204.63351 1016.11839
1720.0000 -216.43497 -202.32603 14.10894 3.15449 -202.14844 1099.41180
1725.0000 -215.48327 -202.97049 12.51278 3.09069 -203.42980 1082.10038
1730.0000 -218.41104 -206.47834 11.93270 3.05539 -204.13867 1057.98027
1735.0000 -217.37981 -204.19612 13.18369 2.96368 -205.98049 1029.06122
1740.0000 -219.03772 -207.04507 11.99265 2.97087 -205.83612 996.62752
1745.0000 -217.74549 -205.50651 12.23898 3.00030 -205.24502 1044.20209
1750.0000 -215.38315 -203.01337 12.36977 2.95781 -206.09828 998.41162
FREEZING PROCESS: loop number 8 T-loop= 1004.0000000000000
main_MD> interactions number 8 at Temperature= 1004.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.74746 -0.71653 1.10539
force_rgl> df(natom) 3.66971 7.02146 1.34389
1755.0000 -216.64131 -203.58876 13.05255 3.14045 -202.43031 1119.87834
1760.0000 -217.76864 -206.53167 11.23696 2.99311 -205.38936 1003.67427
1765.0000 -218.67830 -205.15371 13.52458 3.00507 -205.14912 1017.51336
1770.0000 -219.20526 -207.55439 11.65087 2.93764 -206.50339 984.25018
1775.0000 -216.88514 -204.46577 12.41936 2.91188 -207.02084 994.06154
1780.0000 -218.10812 -207.35053 10.75759 2.98998 -205.45226 1018.79545
1785.0000 -217.23914 -204.99047 12.24867 2.93684 -206.51952 967.50684
1790.0000 -217.30509 -205.20296 12.10213 3.01466 -204.95668 997.55096
1795.0000 -215.15443 -204.42648 10.72795 3.06330 -203.97977 1069.48705
1800.0000 -218.61805 -207.33274 11.28531 2.97312 -205.79095 996.05396
1805.0000 -219.69296 -208.64572 11.04724 2.86452 -207.97196 921.27681
1810.0000 -216.98301 -205.91277 11.07024 2.87837 -207.69364 950.14970
1815.0000 -215.20966 -203.27506 11.93460 3.08790 -203.48571 1068.75691
1820.0000 -218.37438 -206.43830 11.93607 3.00522 -205.14613 1015.98678
1825.0000 -219.29106 -206.77034 12.52072 2.91092 -207.04007 961.44089
1830.0000 -216.57036 -204.32498 12.24538 2.93102 -206.63631 958.46945
1835.0000 -217.85754 -206.23767 11.61987 2.97846 -205.68363 1023.98017
1840.0000 -217.77590 -206.92330 10.85260 2.90789 -207.10088 965.19488
1845.0000 -216.94240 -206.18765 10.75475 2.95368 -206.18125 990.53413
1850.0000 -217.64504 -204.71548 12.92956 3.00174 -205.21600 999.48950
1855.0000 -219.67584 -206.81831 12.85753 2.93441 -206.56836 986.47459
1860.0000 -217.57202 -206.06467 11.50734 2.95340 -206.18687 998.31203
1865.0000 -216.85201 -205.42588 11.42613 2.99582 -205.33499 1007.79729
1870.0000 -214.72768 -201.37068 13.35699 3.11752 -202.89082 1105.26731
1875.0000 -213.00569 -201.14785 11.85784 3.18983 -201.43862 1139.17068
1880.0000 -214.13767 -201.62054 12.51712 3.21789 -200.87523 1136.29450
1885.0000 -216.99211 -205.86226 11.12985 3.07211 -203.80282 1093.77652
1890.0000 -217.44095 -206.03067 11.41028 2.94821 -206.29112 984.58480
1895.0000 -217.10412 -205.25825 11.84588 2.94661 -206.32334 1004.20010
1900.0000 -216.46989 -204.92557 11.54432 2.97726 -205.70776 1016.84210
1905.0000 -217.21503 -204.79344 12.42159 3.01959 -204.85756 1021.34267
1910.0000 -216.78011 -205.59931 11.18080 2.93339 -206.58883 961.08952
1915.0000 -217.45514 -205.83605 11.61909 2.97734 -205.70610 985.84343
1920.0000 -217.21320 -205.25262 11.96058 2.96847 -205.88431 987.64477
1925.0000 -219.74307 -207.74410 11.99897 2.94083 -206.43926 1002.29125
1930.0000 -218.58875 -207.15582 11.43294 2.88847 -207.49083 950.85145
1935.0000 -217.45134 -206.06619 11.38515 2.94785 -206.29826 990.98614
1940.0000 -217.08468 -204.55744 12.52724 3.02160 -204.81725 1058.51520
1945.0000 -217.39125 -205.08836 12.30289 3.07431 -203.75874 1091.87573
1950.0000 -217.58660 -204.95009 12.63651 2.99573 -205.33670 1015.43608
1955.0000 -217.17645 -205.86651 11.30994 2.96895 -205.87458 991.27431
1960.0000 -218.15157 -206.07818 12.07339 2.91700 -206.91796 975.24034
1965.0000 -217.34737 -205.46067 11.88670 2.99502 -205.35114 1021.93419
1970.0000 -218.07270 -206.28086 11.79184 2.95338 -206.18739 1004.17753
1975.0000 -218.79723 -207.55888 11.23835 2.93834 -206.48931 988.99910
1980.0000 -218.16036 -206.61557 11.54479 2.92075 -206.84263 978.86988
1985.0000 -217.92409 -204.93637 12.98771 2.98049 -205.64287 982.12611
1990.0000 -218.59386 -205.90823 12.68562 2.98714 -205.50933 1023.57052
1995.0000 -217.66650 -207.70993 9.95658 2.97677 -205.71764 990.35971
2000.0000 -218.29853 -207.55240 10.74614 2.81495 -208.96741 905.26429
FREEZING PROCESS: loop number 9 T-loop= 979.00000000000000
main_MD> interactions number 9 at Temperature= 979.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68821 0.25495 -2.03996
force_rgl> df(natom) -1.38312 -1.40727 -1.87497
2005.0000 -218.22908 -206.17482 12.05426 2.94142 -206.42749 967.08453
2010.0000 -216.34600 -204.08210 12.26390 3.02427 -204.76359 1033.82707
2015.0000 -216.55435 -205.13341 11.42094 3.01217 -205.00656 994.97192
2020.0000 -217.70125 -206.69287 11.00838 2.93895 -206.47707 966.42403
2025.0000 -219.19520 -209.24996 9.94524 2.88033 -207.65429 948.48609
2030.0000 -218.26578 -206.41247 11.85331 2.88742 -207.51206 974.65283
2035.0000 -218.02454 -206.23967 11.78486 2.90840 -207.09066 969.20060
2040.0000 -218.28965 -207.01423 11.27542 2.92898 -206.67739 987.43578
2045.0000 -217.80130 -207.47774 10.32355 2.88635 -207.53341 960.96662
2050.0000 -217.20392 -206.78146 10.42246 2.89632 -207.33333 929.07349
2055.0000 -218.63211 -209.20679 9.42532 2.85180 -208.22723 928.64950
2060.0000 -218.47122 -208.56972 9.90151 2.83905 -208.48348 935.64141
2065.0000 -218.53678 -207.50059 11.03619 2.84749 -208.31393 945.65183
2070.0000 -216.15370 -204.51756 11.63615 2.99086 -205.43461 997.06957
2075.0000 -216.98505 -205.66144 11.32361 2.99303 -205.39095 988.38797
2080.0000 -217.85570 -205.32739 12.52831 2.98010 -205.65062 1021.52462
2085.0000 -218.79563 -205.59704 13.19858 3.02301 -204.78898 1019.80716
2090.0000 -218.83316 -205.90108 12.93208 2.94796 -206.29619 984.12770
2095.0000 -218.79986 -208.21607 10.58379 2.90138 -207.23162 974.33939
2100.0000 -219.94182 -206.50805 13.43377 2.90471 -207.16469 976.26389
2105.0000 -218.34873 -209.52461 8.82411 2.83957 -208.47294 895.01923
2110.0000 -220.28014 -209.09793 11.18221 2.80954 -209.07601 895.37346
2115.0000 -217.84416 -208.09659 9.74756 2.88378 -207.58499 949.57687
2120.0000 -219.04114 -208.07614 10.96500 2.89893 -207.28091 940.41164
2125.0000 -217.57785 -206.65821 10.91964 2.91617 -206.93464 972.94164
2130.0000 -217.46856 -205.44599 12.02257 2.94926 -206.27012 983.79540
2135.0000 -218.08128 -204.44558 13.63570 2.98808 -205.49047 1018.85911
2140.0000 -217.10776 -206.35708 10.75069 2.98150 -205.62265 1020.50815
2145.0000 -218.32592 -206.71070 11.61522 2.93872 -206.48175 1001.69630
2150.0000 -217.46886 -204.88008 12.58878 2.95568 -206.14117 1005.32876
2155.0000 -217.50690 -205.45571 12.05118 2.88989 -207.46238 953.73134
2160.0000 -216.06808 -205.26142 10.80667 3.00143 -205.22226 992.91345
2165.0000 -219.21634 -206.40971 12.80663 2.91689 -206.92016 967.00283
2170.0000 -220.44160 -208.54497 11.89663 2.89291 -207.40176 955.85307
2175.0000 -219.50921 -210.02929 9.47992 2.86042 -208.05417 943.47358
2180.0000 -220.25873 -209.06705 11.19168 2.75596 -210.15217 885.96089
2185.0000 -219.99209 -207.27737 12.71472 2.85376 -208.18804 937.65430
2190.0000 -216.31238 -203.72255 12.58983 2.92919 -206.67301 975.37395
2195.0000 -216.70520 -205.30403 11.40117 3.00046 -205.24180 1008.04123
2200.0000 -217.17048 -205.45622 11.71426 2.92065 -206.84456 977.11272
2205.0000 -218.29297 -207.13075 11.16222 2.94012 -206.45365 973.16233
2210.0000 -217.43753 -206.99781 10.43971 2.90779 -207.10291 970.85092
2215.0000 -219.38201 -208.82947 10.55255 2.89549 -207.34988 974.52204
2220.0000 -219.93020 -207.89504 12.03515 2.81431 -208.98034 908.49173
2225.0000 -218.70017 -207.28129 11.41889 2.84928 -208.27788 915.94332
2230.0000 -219.15446 -206.67596 12.47850 2.90358 -207.18752 961.16411
2235.0000 -219.80708 -208.58347 11.22361 2.90121 -207.23504 952.27406
2240.0000 -218.04512 -208.13714 9.90797 2.81871 -208.89180 895.52315
2245.0000 -218.15167 -207.04272 11.10895 2.81210 -209.02471 924.52006
2250.0000 -218.37742 -207.43468 10.94273 2.90147 -207.22980 966.75335
FREEZING PROCESS: loop number 10 T-loop= 954.00000000000000
main_MD> interactions number 10 at Temperature= 954.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.98889 -1.12245 -3.70176
force_rgl> df(natom) 2.46433 -6.38976 -0.09271
2255.0000 -217.78389 -206.21727 11.56662 2.93103 -206.63614 980.32477
2260.0000 -217.74803 -207.62451 10.12352 2.92145 -206.82858 946.52668
2265.0000 -220.46742 -208.33002 12.13739 2.90606 -207.13764 951.74876
2270.0000 -218.28227 -206.64469 11.63758 2.91571 -206.94385 971.10019
2275.0000 -218.44409 -207.58580 10.85829 2.83185 -208.62794 921.17966
2280.0000 -217.30398 -205.93563 11.36835 2.95723 -206.10992 1016.93514
2285.0000 -219.15871 -209.20560 9.95310 2.87523 -207.75670 946.33155
2290.0000 -219.68440 -208.14107 11.54333 2.84715 -208.32067 919.91681
2295.0000 -219.90847 -208.51470 11.39377 2.86780 -207.90593 943.44601
2300.0000 -218.63016 -205.55692 13.07324 2.84512 -208.36146 914.56886
2305.0000 -217.91194 -205.83803 12.07391 2.97409 -205.77148 997.95177
2310.0000 -217.87368 -207.43341 10.44027 2.97170 -205.81942 990.29263
2315.0000 -218.74502 -206.68104 12.06398 2.92454 -206.76641 956.24343
2320.0000 -220.22777 -208.77867 11.44910 2.89538 -207.35215 958.71987
2325.0000 -220.12964 -208.85365 11.27599 2.79981 -209.27146 888.83018
2330.0000 -217.75018 -207.80537 9.94481 2.88783 -207.50378 946.95967
2335.0000 -220.16632 -209.26635 10.89997 2.94460 -206.36369 984.20951
2340.0000 -218.75283 -206.90170 11.85113 2.81790 -208.90808 906.90693
2345.0000 -217.90683 -208.45915 9.44768 2.86045 -208.05371 933.30558
2350.0000 -217.93880 -207.55385 10.38495 2.83210 -208.62305 913.44309
2355.0000 -217.72223 -205.45589 12.26634 2.93339 -206.58886 975.09257
2360.0000 -217.67226 -204.53458 13.13769 2.99700 -205.31129 1022.79143
2365.0000 -219.75736 -208.69110 11.06626 2.92215 -206.81440 981.07007
2370.0000 -217.84118 -206.56286 11.27833 2.90362 -207.18669 938.02525
2375.0000 -219.97469 -206.90194 13.07274 2.85430 -208.17707 936.19362
2380.0000 -218.30398 -207.33702 10.96697 2.86271 -208.00817 951.42861
2385.0000 -216.49526 -206.23899 10.25628 2.96157 -206.02278 985.75338
2390.0000 -220.13092 -208.34013 11.79080 2.90171 -207.22489 956.10238
2395.0000 -217.74734 -206.35472 11.39262 2.85290 -208.20525 951.37746
2400.0000 -219.35981 -208.33358 11.02623 2.88780 -207.50442 942.54053
2405.0000 -218.73964 -208.16883 10.57082 2.87081 -207.84553 947.44304
2410.0000 -217.81478 -208.24703 9.56774 2.84930 -208.27746 928.26935
2415.0000 -219.74138 -209.93467 9.80671 2.79788 -209.31029 898.87917
2420.0000 -219.77457 -209.82680 9.94777 2.76090 -210.05290 863.72302
2425.0000 -220.29386 -209.89009 10.40377 2.80368 -209.19375 887.51696
2430.0000 -217.37613 -208.03922 9.33692 2.82191 -208.82760 911.78497
2435.0000 -217.31402 -207.21398 10.10004 2.89754 -207.30866 919.90698
2440.0000 -217.49206 -204.71917 12.77289 2.95534 -206.14798 1002.06086
2445.0000 -216.49018 -204.02236 12.46782 3.02554 -204.73803 1037.06768
2450.0000 -217.49138 -205.99387 11.49751 3.01944 -204.86070 1028.83213
2455.0000 -217.92068 -205.80104 12.11964 2.91157 -207.02706 938.77069
2460.0000 -216.35760 -204.34931 12.00829 2.97767 -205.69955 1008.50241
2465.0000 -217.48371 -206.17182 11.31189 2.96923 -205.86892 998.80723
2470.0000 -219.79443 -208.55412 11.24031 2.91660 -206.92590 987.17739
2475.0000 -219.90831 -207.39304 12.51527 2.87724 -207.71633 957.55509
2480.0000 -218.22675 -209.38872 8.83803 2.84041 -208.45608 914.81441
2485.0000 -219.47216 -210.47859 8.99358 2.77584 -209.75289 884.50367
2490.0000 -219.12950 -208.60628 10.52322 2.84742 -208.31530 950.82828
2495.0000 -220.51192 -209.16534 11.34658 2.74885 -210.29485 865.14558
2500.0000 -220.91063 -209.15855 11.75208 2.77000 -209.87015 897.36012
FREEZING PROCESS: loop number 11 T-loop= 929.00000000000000
main_MD> interactions number 11 at Temperature= 929.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.99490 0.21917 2.08247
force_rgl> df(natom) 0.18095 0.27188 -2.51593
2505.0000 -216.53655 -206.26166 10.27490 2.90842 -207.09020 956.11747
2510.0000 -216.02129 -204.82531 11.19599 2.98534 -205.54536 1005.30887
2515.0000 -218.91061 -208.49389 10.41672 2.93769 -206.50236 984.39941
2520.0000 -218.95904 -209.13688 9.82217 2.83186 -208.62781 937.36139
2525.0000 -221.27685 -211.33520 9.94165 2.73677 -210.53746 877.15212
2530.0000 -220.13862 -210.19125 9.94737 2.73659 -210.54108 846.12466
2535.0000 -221.35994 -209.87819 11.48175 2.73179 -210.63748 852.35667
2540.0000 -219.46567 -209.42074 10.04493 2.82436 -208.77842 929.57293
2545.0000 -220.09175 -210.41475 9.67700 2.76080 -210.05486 872.27268
2550.0000 -219.51367 -208.30489 11.20879 2.79392 -209.38983 894.23905
2555.0000 -218.68645 -208.62935 10.05709 2.85271 -208.20898 927.99672
2560.0000 -219.21979 -208.62458 10.59521 2.86754 -207.91125 952.08402
2565.0000 -219.04947 -208.20201 10.84746 2.84820 -208.29973 930.72098
2570.0000 -219.78017 -208.37236 11.40781 2.79893 -209.28905 895.47663
2575.0000 -218.61280 -208.66298 9.94983 2.86641 -207.93396 938.90230
2580.0000 -218.77779 -207.30217 11.47563 2.87767 -207.70773 966.71483
2585.0000 -218.18125 -207.75256 10.42869 2.89160 -207.42799 951.50779
2590.0000 -218.68962 -208.51857 10.17105 2.87940 -207.67297 952.15333
2595.0000 -218.91090 -208.45272 10.45818 2.83874 -208.48962 923.26818
2600.0000 -219.19056 -208.17698 11.01358 2.87797 -207.70180 949.58848
2605.0000 -217.54651 -206.37806 11.16845 2.85986 -208.06544 937.01778
2610.0000 -218.94187 -208.76557 10.17630 2.85001 -208.26334 932.76884
2615.0000 -217.52842 -206.79518 10.73325 2.89898 -207.27979 936.83348
2620.0000 -218.69302 -208.31265 10.38037 2.89045 -207.45113 961.01239
2625.0000 -219.49470 -209.91704 9.57766 2.80312 -209.20493 869.56689
2630.0000 -217.99290 -205.61540 12.37750 2.87549 -207.75167 922.35673
2635.0000 -219.68269 -209.85599 9.82670 2.87799 -207.70142 951.38724
2640.0000 -220.56615 -210.72975 9.83640 2.73979 -210.47676 868.72638
2645.0000 -220.62058 -211.89730 8.72328 2.69646 -211.34704 846.58541
2650.0000 -220.32665 -210.10682 10.21983 2.67390 -211.80018 827.00826
2655.0000 -219.55822 -209.41727 10.14095 2.78005 -209.66832 892.43107
2660.0000 -219.83304 -209.50202 10.33103 2.76109 -210.04913 874.45302
2665.0000 -221.32653 -211.08208 10.24445 2.74808 -210.31027 874.38802
2670.0000 -219.02934 -209.08472 9.94462 2.73617 -210.54949 821.03409
2675.0000 -217.89709 -207.45499 10.44210 2.84153 -208.43363 930.15331
2680.0000 -218.58919 -207.81767 10.77153 2.83399 -208.58493 874.79456
2685.0000 -218.49228 -207.92993 10.56235 2.89167 -207.42672 919.12647
2690.0000 -218.90605 -208.71217 10.19388 2.83111 -208.64277 918.43079
2695.0000 -219.24056 -209.70804 9.53252 2.75072 -210.25733 875.62707
2700.0000 -219.85667 -208.76873 11.08794 2.80813 -209.10426 893.26895
2705.0000 -220.86361 -210.55777 10.30584 2.80461 -209.17496 906.52681
2710.0000 -220.72422 -209.34414 11.38009 2.75036 -210.26454 878.64042
2715.0000 -217.57733 -207.42414 10.15319 2.85179 -208.22748 907.63135
2720.0000 -219.26893 -205.64110 13.62782 2.97075 -205.83838 991.28731
2725.0000 -218.67608 -208.24667 10.42941 2.92904 -206.67604 1003.27831
2730.0000 -219.21038 -208.42143 10.78895 2.88875 -207.48524 953.40522
2735.0000 -220.56036 -210.82109 9.73927 2.80194 -209.22863 888.73937
2740.0000 -219.72516 -210.61659 9.10858 2.72797 -210.71427 849.86078
2745.0000 -219.89478 -210.56930 9.32548 2.71062 -211.06255 843.35037
2750.0000 -218.32865 -208.34793 9.98072 2.77130 -209.84401 861.59438
FREEZING PROCESS: loop number 12 T-loop= 904.00000000000000
main_MD> interactions number 12 at Temperature= 904.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.75261 -0.40754 0.23931
force_rgl> df(natom) 1.50985 0.49819 2.05160
2755.0000 -219.67621 -209.60098 10.07523 2.81044 -209.05802 898.67876
2760.0000 -222.51860 -211.24007 11.27853 2.74617 -210.34878 844.32097
2765.0000 -219.90688 -210.36902 9.53786 2.73835 -210.50579 853.76054
2770.0000 -221.32281 -210.07142 11.25139 2.74009 -210.47073 868.45095
2775.0000 -220.10706 -210.26174 9.84532 2.75350 -210.20146 883.22142
2780.0000 -220.51296 -210.60561 9.90734 2.73924 -210.48796 851.87088
2785.0000 -220.84147 -210.81475 10.02672 2.70527 -211.17019 847.42155
2790.0000 -221.98108 -211.47135 10.50973 2.71036 -211.06796 831.25571
2795.0000 -220.89452 -211.07379 9.82072 2.68948 -211.48730 832.46927
2800.0000 -220.90886 -211.63566 9.27320 2.73210 -210.63136 843.09568
2805.0000 -220.99300 -211.20644 9.78656 2.65343 -212.21116 799.91368
2810.0000 -218.52051 -209.01587 9.50464 2.77763 -209.71685 867.48090
2815.0000 -220.02734 -211.25763 8.76971 2.74616 -210.34892 850.74009
2820.0000 -220.35235 -209.31354 11.03881 2.80213 -209.22487 912.65374
2825.0000 -221.41395 -209.32202 12.09193 2.81437 -208.97909 930.80327
2830.0000 -219.32453 -209.34242 9.98211 2.80552 -209.15684 914.73380
2835.0000 -220.18675 -208.32903 11.85772 2.78733 -209.52209 907.40698
2840.0000 -218.41706 -208.08234 10.33472 2.87275 -207.80650 953.67583
2845.0000 -222.21154 -211.60171 10.60984 2.74058 -210.46087 876.43248
2850.0000 -218.85303 -209.64410 9.20893 2.76909 -209.88830 889.15039
2855.0000 -219.92799 -209.25863 10.66936 2.76777 -209.91499 885.88159
2860.0000 -219.40570 -208.83444 10.57126 2.83752 -208.51413 944.09458
2865.0000 -219.70349 -210.24804 9.45545 2.76630 -209.94440 852.61820
2870.0000 -220.97412 -211.33447 9.63965 2.69104 -211.45595 833.40410
2875.0000 -220.90978 -210.39043 10.51936 2.75125 -210.24676 874.27818
2880.0000 -220.85253 -210.22330 10.62923 2.74612 -210.34962 846.68094
2885.0000 -218.27227 -206.80429 11.46799 2.85868 -208.08908 926.24024
2890.0000 -217.81114 -207.05276 10.75839 2.90345 -207.18996 960.44938
2895.0000 -218.66294 -208.21386 10.44908 2.86004 -208.06187 928.35400
2900.0000 -219.52251 -208.05662 11.46589 2.88060 -207.64895 948.13389
2905.0000 -217.10201 -205.46883 11.63318 2.91757 -206.90641 967.73013
2910.0000 -217.51470 -206.77443 10.74028 2.97178 -205.81775 1011.38158
2915.0000 -218.50885 -207.53658 10.97227 2.91945 -206.86873 965.46035
2920.0000 -220.41651 -209.51252 10.90398 2.79631 -209.34174 885.45298
2925.0000 -220.05896 -210.19983 9.85913 2.74026 -210.46738 865.84041
2930.0000 -217.52577 -206.77437 10.75139 2.90200 -207.21914 969.20917
2935.0000 -217.66196 -207.54641 10.11554 2.89258 -207.40834 928.74502
2940.0000 -218.64752 -208.10591 10.54161 2.90541 -207.15077 936.02684
2945.0000 -219.32556 -208.24832 11.07724 2.82361 -208.79346 931.30638
2950.0000 -218.74453 -209.31296 9.43157 2.82493 -208.76689 933.74886
2955.0000 -220.56059 -209.98511 10.57548 2.78327 -209.60358 889.45151
2960.0000 -222.19626 -212.18339 10.01287 2.71822 -210.90995 869.51758
2965.0000 -220.73099 -211.85807 8.87292 2.66238 -212.03144 805.55638
2970.0000 -220.68800 -209.69332 10.99468 2.72969 -210.67958 856.08256
2975.0000 -219.14181 -209.10649 10.03532 2.77928 -209.68368 904.75847
2980.0000 -220.15624 -209.77995 10.37629 2.81679 -208.93047 912.10026
2985.0000 -220.91949 -211.72484 9.19465 2.77129 -209.84412 852.89518
2990.0000 -220.01494 -209.31132 10.70362 2.75579 -210.15554 891.29446
2995.0000 -219.29260 -207.40921 11.88338 2.86543 -207.95353 924.30907
3000.0000 -219.79069 -208.16585 11.62484 2.91605 -206.93702 954.75282
FREEZING PROCESS: loop number 13 T-loop= 879.00000000000000
main_MD> interactions number 13 at Temperature= 879.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24421 -1.22144 -1.54903
force_rgl> df(natom) -0.54878 -0.03341 -2.66082
3005.0000 -218.49802 -208.84564 9.65238 2.75921 -210.08689 879.69975
3010.0000 -220.01428 -210.33862 9.67567 2.81310 -209.00449 892.93865
3015.0000 -221.04813 -210.03718 11.01095 2.78069 -209.65551 892.01388
3020.0000 -221.50413 -210.67012 10.83401 2.78662 -209.53628 884.68870
3025.0000 -221.38830 -211.91901 9.46929 2.66893 -211.89986 791.72724
3030.0000 -220.21389 -210.35484 9.85906 2.72893 -210.69486 844.11611
3035.0000 -218.90364 -208.07962 10.82402 2.79121 -209.44420 890.57729
3040.0000 -220.32607 -209.60659 10.71947 2.84007 -208.46295 931.89234
3045.0000 -221.61516 -210.15001 11.46516 2.78843 -209.49997 875.99939
3050.0000 -220.95231 -211.61667 9.33565 2.72078 -210.85862 853.46623
3055.0000 -219.93362 -210.34342 9.59021 2.75625 -210.14625 862.88748
3060.0000 -219.14443 -208.81310 10.33133 2.78975 -209.47343 888.21537
3065.0000 -218.94490 -209.47521 9.46970 2.85482 -208.16660 926.47627
3070.0000 -220.34301 -209.47652 10.86650 2.82477 -208.77012 908.83589
3075.0000 -221.75170 -210.26016 11.49154 2.79222 -209.42378 884.58824
3080.0000 -218.76306 -208.42585 10.33721 2.79033 -209.46183 899.13306
3085.0000 -218.90254 -208.32503 10.57751 2.83704 -208.52371 923.19707
3090.0000 -220.51153 -210.58826 9.92326 2.77279 -209.81400 885.27846
3095.0000 -221.77736 -210.07935 11.69802 2.76196 -210.03158 877.87029
3100.0000 -219.81727 -210.46637 9.35091 2.75564 -210.15849 856.76565
3105.0000 -221.57245 -212.03876 9.53370 2.69314 -211.41364 829.61650
3110.0000 -221.43243 -211.29414 10.13828 2.72492 -210.77549 856.26011
3115.0000 -221.75214 -212.78416 8.96798 2.66427 -211.99351 821.58491
3120.0000 -222.73034 -214.15856 8.57178 2.57041 -213.87850 760.48362
3125.0000 -220.05295 -209.60674 10.44621 2.66604 -211.95804 807.27854
3130.0000 -218.75657 -209.24613 9.51045 2.79457 -209.37668 881.77656
3135.0000 -221.38599 -210.26178 11.12421 2.77626 -209.74443 863.36466
3140.0000 -219.22609 -210.41249 8.81360 2.77390 -209.79187 890.09996
3145.0000 -218.15695 -207.44010 10.71685 2.76827 -209.90486 872.59616
3150.0000 -220.31023 -211.73888 8.57135 2.75610 -210.14934 870.52422
3155.0000 -219.01854 -211.49205 7.52649 2.68277 -211.62197 812.37359
3160.0000 -218.98557 -206.84059 12.14498 2.78292 -209.61072 889.20241
3165.0000 -220.54355 -208.50828 12.03527 2.89908 -207.27777 988.11028
3170.0000 -217.29811 -206.47279 10.82532 2.87124 -207.83694 956.25880
3175.0000 -218.25157 -208.66869 9.58288 2.90695 -207.11980 925.52362
3180.0000 -217.84655 -208.16722 9.67933 2.81075 -209.05169 907.64527
3185.0000 -219.14701 -207.18774 11.95927 2.92602 -206.73671 985.17651
3190.0000 -218.47963 -207.59614 10.88349 2.85436 -208.17598 937.09176
3195.0000 -219.91415 -208.96009 10.95406 2.85758 -208.11128 921.73104
3200.0000 -220.74579 -209.31310 11.43269 2.80520 -209.16314 886.65152
3205.0000 -219.99098 -209.81560 10.17538 2.78889 -209.49067 899.04146
3210.0000 -219.81971 -208.65578 11.16393 2.77740 -209.72155 892.99306
3215.0000 -219.91180 -208.85715 11.05466 2.83592 -208.54620 936.20174
3220.0000 -219.19301 -209.90824 9.28477 2.76870 -209.89622 850.52387
3225.0000 -220.78794 -210.22500 10.56294 2.75462 -210.17900 861.12955
3230.0000 -220.65756 -210.57640 10.08117 2.74630 -210.34612 873.41462
3235.0000 -220.75052 -210.93762 9.81290 2.71334 -211.00796 834.48633
3240.0000 -219.57418 -209.20843 10.36575 2.78836 -209.50146 895.05786
3245.0000 -220.54866 -209.77587 10.77279 2.80647 -209.13763 894.89764
3250.0000 -221.21830 -212.11880 9.09950 2.73232 -210.62681 880.06888
FREEZING PROCESS: loop number 14 T-loop= 854.00000000000000
main_MD> interactions number 14 at Temperature= 854.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.75621 1.19647 -1.39672
force_rgl> df(natom) 4.04618 -2.76765 -2.05056
3255.0000 -221.35665 -211.67585 9.68080 2.64250 -212.43065 809.42984
3260.0000 -219.94936 -208.99503 10.95433 2.71873 -210.89985 840.92198
3265.0000 -219.56638 -209.47797 10.08841 2.78978 -209.47282 889.88155
3270.0000 -220.53985 -210.60553 9.93432 2.80399 -209.18758 885.24607
3275.0000 -219.88241 -210.87986 9.00254 2.71895 -210.89530 842.68797
3280.0000 -220.53940 -210.45690 10.08250 2.73815 -210.50984 839.83996
3285.0000 -220.52397 -212.20720 8.31677 2.71494 -210.97595 841.87602
3290.0000 -220.88909 -211.06458 9.82451 2.68089 -211.65980 824.25856
3295.0000 -220.09224 -211.60379 8.48845 2.71515 -210.97175 839.44223
3300.0000 -219.42437 -210.35845 9.06592 2.74365 -210.39921 849.21450
3305.0000 -220.40827 -209.69615 10.71212 2.78646 -209.53957 859.83818
3310.0000 -219.09290 -208.73647 10.35643 2.82192 -208.82738 919.07440
3315.0000 -220.87003 -212.11667 8.75337 2.73786 -210.51554 843.40575
3320.0000 -221.09651 -209.57367 11.52284 2.69851 -211.30584 836.09224
3325.0000 -220.26419 -208.88387 11.38032 2.78405 -209.58791 897.59124
3330.0000 -220.24829 -211.16356 9.08472 2.75822 -210.10680 878.62359
3335.0000 -222.03136 -213.26570 8.76567 2.64137 -212.45337 769.21951
3340.0000 -221.97799 -214.27572 7.70227 2.60688 -213.14606 764.10239
3345.0000 -221.22356 -211.57269 9.65087 2.59358 -213.41322 793.00003
3350.0000 -221.20669 -210.66751 10.53918 2.70253 -211.22511 817.56369
3355.0000 -220.04472 -210.52225 9.52247 2.75680 -210.13513 841.51463
3360.0000 -217.83783 -206.89916 10.93868 2.84328 -208.39840 923.27767
3365.0000 -221.30150 -212.27141 9.03009 2.77111 -209.84787 890.34591
3370.0000 -222.83391 -213.60000 9.23390 2.62253 -212.83173 778.81995
3375.0000 -221.04238 -209.79875 11.24363 2.66411 -211.99680 820.16022
3380.0000 -222.20023 -211.94750 10.25273 2.74810 -210.30988 861.85548
3385.0000 -221.68898 -213.27901 8.40997 2.66037 -212.07185 807.02111
3390.0000 -220.50639 -210.37110 10.13529 2.63113 -212.65908 796.53877
3395.0000 -220.07619 -209.92072 10.15547 2.74694 -210.33319 884.38746
3400.0000 -219.43979 -209.42591 10.01388 2.73114 -210.65056 847.50636
3405.0000 -220.00230 -209.62540 10.37691 2.80451 -209.17701 895.72324
3410.0000 -220.95980 -211.16037 9.79944 2.79362 -209.39570 924.19250
3415.0000 -221.15806 -210.54814 10.60992 2.70287 -211.21831 854.83087
3420.0000 -219.37819 -209.25194 10.12625 2.74654 -210.34124 857.65136
3425.0000 -218.40216 -209.43959 8.96257 2.73537 -210.56553 865.67958
3430.0000 -220.28374 -209.48567 10.79807 2.80049 -209.25772 886.08748
3435.0000 -219.95081 -209.70733 10.24348 2.79761 -209.31569 888.57655
3440.0000 -220.65457 -210.12795 10.52662 2.75263 -210.21894 860.89947
3445.0000 -219.25088 -209.47959 9.77130 2.80084 -209.25068 871.69542
3450.0000 -219.72522 -209.47381 10.25141 2.79670 -209.33387 914.45130
3455.0000 -219.63826 -208.19685 11.44140 2.80654 -209.13638 908.76510
3460.0000 -219.55348 -211.93820 7.61528 2.74318 -210.40877 867.14954
3465.0000 -221.58479 -211.46759 10.11721 2.68206 -211.63619 831.87334
3470.0000 -219.44723 -210.95617 8.49106 2.68867 -211.50344 834.12426
3475.0000 -222.60903 -212.70171 9.90733 2.68537 -211.56973 836.53853
3480.0000 -219.83914 -209.98958 9.84956 2.69661 -211.34399 842.61904
3485.0000 -222.37146 -212.62378 9.74768 2.73917 -210.48934 872.56975
3490.0000 -221.82929 -210.95625 10.87304 2.68160 -211.64541 818.94775
3495.0000 -221.47692 -211.02919 10.44773 2.71973 -210.87964 836.02649
3500.0000 -223.75276 -213.64023 10.11253 2.64180 -212.44472 798.69066
FREEZING PROCESS: loop number 15 T-loop= 829.00000000000000
main_MD> interactions number 15 at Temperature= 829.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54650 0.91028 -0.33592
force_rgl> df(natom) 1.42033 -0.83449 1.84449
3505.0000 -221.58281 -212.57337 9.00944 2.61009 -213.08159 811.95739
3510.0000 -220.49051 -211.22917 9.26134 2.65847 -212.10988 821.04376
3515.0000 -222.12753 -212.41807 9.70945 2.67779 -211.72190 827.61896
3520.0000 -219.08981 -209.85168 9.23812 2.72428 -210.78824 850.38168
3525.0000 -221.14555 -211.14890 9.99665 2.77149 -209.84021 895.83907
3530.0000 -220.02861 -211.06163 8.96698 2.73275 -210.61824 855.82967
3535.0000 -221.75204 -211.55015 10.20189 2.68949 -211.48709 848.84725
3540.0000 -221.06055 -211.00370 10.05685 2.69240 -211.42848 845.67632
3545.0000 -219.53425 -207.36261 12.17164 2.80992 -209.06844 912.22672
3550.0000 -220.50034 -211.20722 9.29312 2.79094 -209.44963 889.52831
3555.0000 -220.34601 -211.46179 8.88422 2.71015 -211.07217 827.97332
3560.0000 -223.01942 -214.17570 8.84373 2.64641 -212.35211 788.34156
3565.0000 -222.09144 -212.13957 9.95188 2.66318 -212.01541 823.91342
3570.0000 -222.18978 -212.80740 9.38238 2.65385 -212.20282 812.87345
3575.0000 -220.55842 -211.44266 9.11576 2.66480 -211.98288 836.44054
3580.0000 -221.17205 -211.62601 9.54605 2.67593 -211.75930 832.64114
3585.0000 -220.03400 -210.68334 9.35066 2.69090 -211.45868 861.07187
3590.0000 -220.48507 -209.89761 10.58747 2.76515 -209.96748 886.13359
3595.0000 -221.81956 -212.44777 9.37179 2.73513 -210.57038 864.34882
3600.0000 -220.84550 -212.09229 8.75321 2.68880 -211.50087 828.29900
3605.0000 -221.54555 -212.60931 8.93624 2.63426 -212.59611 809.48939
3610.0000 -220.71238 -211.01891 9.69346 2.71194 -211.03607 846.72261
3615.0000 -219.47828 -211.26583 8.21245 2.74006 -210.47140 873.13091
3620.0000 -221.64356 -211.38273 10.26083 2.70197 -211.23640 848.73131
3625.0000 -221.41658 -210.46000 10.95659 2.73673 -210.53833 843.78460
3630.0000 -220.03887 -209.59106 10.44781 2.76143 -210.04224 873.78286
3635.0000 -220.23125 -209.84266 10.38859 2.74213 -210.42985 861.86008
3640.0000 -218.46189 -208.67219 9.78970 2.78317 -209.60561 893.67314
3645.0000 -220.50963 -209.05172 11.45792 2.79319 -209.40441 881.56946
3650.0000 -220.08158 -209.38542 10.69616 2.81698 -208.92668 916.94252
3655.0000 -221.78423 -212.09893 9.68529 2.72428 -210.78822 828.95522
3660.0000 -222.08501 -213.33787 8.74713 2.60689 -213.14585 805.65132
3665.0000 -222.45635 -213.70871 8.74764 2.60029 -213.27831 788.69181
3670.0000 -222.86159 -213.47398 9.38761 2.58318 -213.62206 777.14359
3675.0000 -220.42988 -211.63717 8.79271 2.61248 -213.03359 783.78362
3680.0000 -218.95716 -210.03642 8.92074 2.66260 -212.02710 805.44610
3685.0000 -221.22335 -211.18139 10.04195 2.70380 -211.19952 846.39150
3690.0000 -220.33963 -211.32620 9.01344 2.69978 -211.28034 835.36249
3695.0000 -220.11824 -210.50758 9.61066 2.72045 -210.86525 858.22017
3700.0000 -220.84116 -211.91652 8.92464 2.70763 -211.12267 842.50131
3705.0000 -222.22917 -212.00019 10.22898 2.62982 -212.68542 794.43927
3710.0000 -223.15793 -213.10013 10.05780 2.64364 -212.40787 799.81607
3715.0000 -222.37132 -213.48975 8.88157 2.63407 -212.59998 793.64326
3720.0000 -220.97918 -213.05869 7.92049 2.58423 -213.60088 766.70857
3725.0000 -223.46225 -214.89347 8.56879 2.57698 -213.74657 770.82313
3730.0000 -222.05938 -211.76805 10.29133 2.57224 -213.84164 754.79196
3735.0000 -222.01168 -214.03094 7.98074 2.65452 -212.18929 804.60012
3740.0000 -220.41386 -211.77295 8.64091 2.60685 -213.14669 766.20554
3745.0000 -221.30205 -213.37636 7.92569 2.61043 -213.07475 751.24415
3750.0000 -222.01459 -214.67108 7.34351 2.54902 -214.30806 740.80242
FREEZING PROCESS: loop number 16 T-loop= 804.00000000000000
main_MD> interactions number 16 at Temperature= 804.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.55743 -0.84328 -0.20754
force_rgl> df(natom) -0.01431 -2.35697 -1.55426
3755.0000 -221.55840 -213.27374 8.28466 2.60138 -213.25660 770.06867
3760.0000 -221.62230 -212.45409 9.16821 2.63678 -212.54549 808.09961
3765.0000 -220.79272 -210.71661 10.07610 2.68464 -211.58441 793.21110
3770.0000 -222.21260 -211.02275 11.18984 2.73042 -210.66503 843.91386
3775.0000 -222.06460 -213.50076 8.56385 2.60962 -213.09103 758.43234
3780.0000 -222.18606 -212.79275 9.39331 2.62853 -212.71123 795.37548
3785.0000 -221.71446 -213.14354 8.57092 2.60281 -213.22772 796.31797
3790.0000 -220.26606 -211.00118 9.26488 2.66119 -212.05533 818.42078
3795.0000 -221.49172 -209.68292 11.80881 2.75257 -210.22018 873.08917
3800.0000 -221.87925 -212.91522 8.96403 2.68973 -211.48221 816.56125
3805.0000 -220.32214 -209.48184 10.84029 2.72221 -210.82982 830.84113
3810.0000 -222.59033 -212.57845 10.01188 2.72801 -210.71331 840.85798
3815.0000 -222.05693 -212.96481 9.09212 2.63571 -212.56713 801.47319
3820.0000 -222.83624 -213.31052 9.52572 2.61758 -212.93113 806.36990
3825.0000 -221.38371 -213.07372 8.30999 2.61707 -212.94144 781.32017
3830.0000 -221.31327 -213.04007 8.27320 2.62170 -212.84850 750.81994
3835.0000 -221.31561 -212.31406 9.00155 2.65395 -212.20073 772.72690
3840.0000 -220.81082 -211.97045 8.84037 2.69817 -211.31273 812.61208
3845.0000 -223.08303 -213.50977 9.57327 2.60920 -213.09950 758.26515
3850.0000 -223.18469 -213.46175 9.72295 2.61613 -212.96019 779.84491
3855.0000 -222.37940 -213.88461 8.49479 2.60773 -213.12891 794.71781
3860.0000 -222.31985 -213.13715 9.18270 2.57913 -213.70346 748.45127
3865.0000 -220.34562 -211.13081 9.21481 2.64034 -212.47409 778.65118
3870.0000 -219.90805 -209.20139 10.70665 2.79753 -209.31732 889.92622
3875.0000 -220.94048 -212.33785 8.60263 2.72707 -210.73221 865.38275
3880.0000 -220.60754 -211.33595 9.27159 2.67948 -211.68806 815.29401
3885.0000 -221.20514 -210.73418 10.47096 2.73385 -210.59604 871.24367
3890.0000 -221.82950 -212.50873 9.32077 2.66755 -211.92769 830.43739
3895.0000 -221.37078 -212.45435 8.91642 2.64502 -212.38006 797.63296
3900.0000 -221.78592 -211.29235 10.49357 2.65832 -212.11297 800.65883
3905.0000 -223.63204 -214.42069 9.21135 2.56194 -214.04858 755.22840
3910.0000 -221.76023 -212.39759 9.36265 2.59742 -213.33597 794.26055
3915.0000 -221.76688 -212.95291 8.81397 2.64880 -212.30408 836.98673
3920.0000 -221.88900 -211.77223 10.11677 2.64848 -212.31069 795.28735
3925.0000 -222.05723 -214.00271 8.05452 2.67410 -211.79601 836.79348
3930.0000 -222.39205 -213.88168 8.51037 2.55201 -214.24811 746.74504
3935.0000 -221.87351 -213.14635 8.72716 2.59336 -213.41753 760.25332
3940.0000 -221.19612 -212.36634 8.82978 2.61180 -213.04720 768.96463
3945.0000 -222.21759 -212.41048 9.80710 2.62694 -212.74310 789.63062
3950.0000 -223.74402 -214.01235 9.73167 2.58564 -213.57260 752.87710
3955.0000 -222.36727 -214.50554 7.86173 2.50802 -215.13142 725.42511
3960.0000 -221.56701 -212.70519 8.86182 2.54263 -214.43642 754.46200
3965.0000 -221.65580 -212.59429 9.06151 2.63240 -212.63349 804.83345
3970.0000 -219.08219 -209.64115 9.44105 2.71459 -210.98302 825.99470
3975.0000 -221.79241 -211.34341 10.44900 2.71048 -211.06555 876.60507
3980.0000 -221.50764 -213.15040 8.35724 2.67202 -211.83794 816.62425
3985.0000 -222.75686 -214.59181 8.16505 2.59103 -213.46441 767.45826
3990.0000 -221.93139 -212.42687 9.50451 2.61100 -213.06323 800.14007
3995.0000 -222.61456 -213.03326 9.58130 2.59339 -213.41700 796.37392
4000.0000 -222.27842 -212.95590 9.32253 2.62975 -212.68679 832.30580
FREEZING PROCESS: loop number 17 T-loop= 779.00000000000000
main_MD> interactions number 17 at Temperature= 779.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.17508 -3.90432 -1.82459
force_rgl> df(natom) 0.90078 0.61529 -1.24633
4005.0000 -222.59855 -214.37395 8.22461 2.58291 -213.62739 764.25229
4010.0000 -224.57595 -216.24552 8.33043 2.50250 -215.24239 720.09967
4015.0000 -222.86930 -214.35057 8.51873 2.53308 -214.62811 743.94770
4020.0000 -223.26843 -214.93551 8.33292 2.58205 -213.64466 788.41920
4025.0000 -221.65725 -213.60862 8.04863 2.57290 -213.82847 751.48672
4030.0000 -221.10849 -211.80790 9.30059 2.60355 -213.21302 769.14498
4035.0000 -220.64423 -211.46198 9.18225 2.68171 -211.64332 827.75649
4040.0000 -221.73346 -211.30938 10.42408 2.64529 -212.37457 819.39925
4045.0000 -221.93444 -211.30033 10.63411 2.68992 -211.47827 841.06804
4050.0000 -221.11215 -212.71641 8.39574 2.64533 -212.37382 806.35978
4055.0000 -223.62961 -214.97983 8.64977 2.55026 -214.28324 739.91226
4060.0000 -222.33733 -213.49996 8.83737 2.55637 -214.16040 748.21332
4065.0000 -222.32631 -212.61908 9.70722 2.56249 -214.03749 748.20554
4070.0000 -221.59416 -213.43041 8.16375 2.65152 -212.24950 805.67967
4075.0000 -220.73646 -212.04306 8.69340 2.60470 -213.18976 780.45989
4080.0000 -222.62883 -213.81415 8.81468 2.62392 -212.80384 776.01721
4085.0000 -221.66242 -213.16706 8.49536 2.59108 -213.46328 773.45856
4090.0000 -223.16089 -213.28308 9.87782 2.58960 -213.49311 775.94968
4095.0000 -221.85778 -212.57670 9.28109 2.62880 -212.70590 798.68923
4100.0000 -222.11469 -214.38246 7.73223 2.59474 -213.38985 786.49671
4105.0000 -223.66740 -215.53832 8.12909 2.51163 -215.05898 724.26650
4110.0000 -224.69712 -216.60671 8.09041 2.48031 -215.68795 719.15825
4115.0000 -222.64913 -214.85302 7.79611 2.45627 -216.17078 682.71380
4120.0000 -223.04807 -212.58917 10.45890 2.56124 -214.06259 753.60228
4125.0000 -222.42935 -213.99909 8.43026 2.56242 -214.03890 752.55334
4130.0000 -223.28687 -215.31855 7.96832 2.48255 -215.64292 719.01047
4135.0000 -223.99660 -214.75839 9.23821 2.53624 -214.56478 755.97828
4140.0000 -221.60043 -212.96051 8.63993 2.56533 -213.98052 773.41025
4145.0000 -219.72644 -210.50306 9.22338 2.68454 -211.58638 822.07853
4150.0000 -221.31179 -212.50993 8.80186 2.69044 -211.46787 819.43703
4155.0000 -222.46824 -212.33644 10.13180 2.66006 -212.07814 795.06735
4160.0000 -223.37877 -212.99887 10.37990 2.59023 -213.48049 784.86412
4165.0000 -222.35507 -212.59684 9.75824 2.62787 -212.72442 772.08991
4170.0000 -221.86957 -211.78169 10.08788 2.69097 -211.45728 827.92941
4175.0000 -220.75209 -211.40908 9.34301 2.66310 -212.01707 826.26212
4180.0000 -222.10838 -213.88450 8.22388 2.66539 -211.97103 803.73592
4185.0000 -221.87557 -212.89772 8.97784 2.60612 -213.16125 786.52194
4190.0000 -220.99546 -213.39740 7.59806 2.60817 -213.12024 774.99676
4195.0000 -223.44040 -213.40117 10.03923 2.59060 -213.47293 780.55104
4200.0000 -220.71349 -211.39153 9.32197 2.61702 -212.94249 814.04631
4205.0000 -220.52076 -211.59889 8.92187 2.63517 -212.57797 762.57264
4210.0000 -222.07284 -213.20636 8.86648 2.65997 -212.07982 806.84887
4215.0000 -220.13891 -211.18470 8.95421 2.64206 -212.43959 795.16427
4220.0000 -222.80814 -213.06251 9.74562 2.67587 -211.76048 834.51457
4225.0000 -221.98381 -213.04043 8.94338 2.59835 -213.31729 801.84944
4230.0000 -222.83408 -213.86936 8.96472 2.61799 -212.92290 813.52314
4235.0000 -223.31836 -214.58887 8.72950 2.53071 -214.67580 728.62076
4240.0000 -222.07294 -212.87217 9.20077 2.56685 -213.95007 764.50635
4245.0000 -222.26261 -212.66076 9.60184 2.63489 -212.58353 809.68965
4250.0000 -220.05365 -211.29828 8.75537 2.68589 -211.55925 834.69331
FREEZING PROCESS: loop number 18 T-loop= 754.00000000000000
main_MD> interactions number 18 at Temperature= 754.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13053 3.01444 2.26631
force_rgl> df(natom) -4.77919 -2.04771 2.27013
4255.0000 -221.88379 -213.23042 8.65338 2.64750 -212.33038 794.87409
4260.0000 -222.03115 -212.98323 9.04792 2.60644 -213.15485 783.75287
4265.0000 -222.12453 -213.27299 8.85153 2.57606 -213.76511 775.70676
4270.0000 -222.03737 -213.09340 8.94397 2.55551 -214.17781 764.13231
4275.0000 -223.03829 -215.09596 7.94234 2.55558 -214.17622 726.84803
4280.0000 -223.92413 -215.33487 8.58926 2.49545 -215.38387 705.03825
4285.0000 -222.56857 -213.98407 8.58451 2.52458 -214.79897 742.99562
4290.0000 -222.10686 -212.51557 9.59129 2.59554 -213.37374 792.00835
4295.0000 -222.05098 -212.88972 9.16125 2.61624 -212.95804 797.86006
4300.0000 -223.17402 -213.96921 9.20481 2.56251 -214.03719 757.02152
4305.0000 -222.92853 -212.69733 10.23119 2.57666 -213.75288 773.15455
4310.0000 -220.95734 -212.08201 8.87533 2.62879 -212.70605 788.96905
4315.0000 -221.05505 -212.40171 8.65334 2.69173 -211.44193 803.57822
4320.0000 -223.06289 -213.85735 9.20554 2.60615 -213.16082 782.00922
4325.0000 -222.79726 -212.97383 9.82344 2.58819 -213.52132 758.20239
4330.0000 -224.17492 -214.78442 9.39049 2.58036 -213.67861 760.01281
4335.0000 -221.17619 -213.00590 8.17029 2.57833 -213.71937 773.29135
4340.0000 -222.89583 -214.29072 8.60511 2.58652 -213.55500 748.79192
4345.0000 -222.18779 -214.37964 7.80814 2.57009 -213.88482 741.41081
4350.0000 -224.43091 -216.56795 7.86296 2.51687 -214.95377 710.96923
4355.0000 -225.34274 -217.48038 7.86236 2.41014 -217.09720 670.47446
4360.0000 -224.99265 -217.90503 7.08763 2.41964 -216.90647 683.41682
4365.0000 -223.65927 -215.07791 8.58135 2.43228 -216.65258 684.23124
4370.0000 -223.59408 -213.94813 9.64595 2.50586 -215.17491 729.87119
4375.0000 -221.55604 -213.04925 8.50679 2.57506 -213.78515 750.69583
4380.0000 -222.89940 -213.25550 9.64390 2.58870 -213.51111 766.73089
4385.0000 -221.35111 -212.97188 8.37923 2.59241 -213.43664 778.64188
4390.0000 -221.83944 -212.58976 9.24968 2.61317 -213.01977 778.38000
4395.0000 -223.31337 -212.76743 10.54594 2.60418 -213.20031 768.08650
4400.0000 -223.15945 -215.64276 7.51669 2.57922 -213.70162 763.16433
4405.0000 -225.40510 -216.17132 9.23378 2.46109 -216.07395 704.67564
4410.0000 -222.59943 -213.95198 8.64745 2.49701 -215.35265 728.60762
4415.0000 -222.83209 -213.21112 9.62097 2.60428 -213.19830 783.72035
4420.0000 -222.16964 -212.16234 10.00730 2.63213 -212.63906 788.39644
4425.0000 -221.68423 -211.55430 10.12993 2.65131 -212.25370 800.58933
4430.0000 -221.82014 -213.49027 8.32987 2.63498 -212.58174 804.93652
4435.0000 -223.92812 -215.76505 8.16307 2.53736 -214.54215 723.99622
4440.0000 -222.79527 -214.63774 8.15753 2.50934 -215.10505 702.75244
4445.0000 -222.27472 -213.98923 8.28550 2.53117 -214.66654 736.66596
4450.0000 -221.94016 -214.23507 7.70509 2.52986 -214.69283 734.16016
4455.0000 -221.41249 -213.70419 7.70830 2.58685 -213.54838 761.39438
4460.0000 -222.29795 -212.68269 9.61525 2.62489 -212.78435 771.24719
4465.0000 -221.50657 -212.49782 9.00875 2.63503 -212.58067 789.38780
4470.0000 -223.73385 -213.91194 9.82191 2.59485 -213.38766 774.01679
4475.0000 -221.99430 -212.97005 9.02425 2.60896 -213.10433 759.33149
4480.0000 -222.07123 -213.39777 8.67346 2.62270 -212.82827 777.75934
4485.0000 -221.67155 -212.97862 8.69293 2.62293 -212.82366 799.82700
4490.0000 -223.55088 -215.27005 8.28083 2.52272 -214.83620 733.68553
4495.0000 -223.50561 -215.95344 7.55217 2.50101 -215.27233 715.39089
4500.0000 -222.75837 -214.20786 8.55051 2.53536 -214.58244 718.99423
FREEZING PROCESS: loop number 19 T-loop= 729.00000000000000
main_MD> interactions number 19 at Temperature= 729.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77299 -0.45892 -2.06553
force_rgl> df(natom) -1.66012 -0.06133 0.07255
4505.0000 -223.87717 -216.95991 6.91726 2.51020 -215.08769 737.42037
4510.0000 -226.05102 -217.62322 8.42780 2.45937 -216.10856 700.53897
4515.0000 -225.12013 -217.10887 8.01127 2.40782 -217.14372 652.30455
4520.0000 -225.79587 -217.47475 8.32112 2.41042 -217.09165 664.02605
4525.0000 -223.01440 -214.25547 8.75893 2.48065 -215.68108 704.30159
4530.0000 -222.01375 -213.51952 8.49422 2.58240 -213.63760 746.35953
4535.0000 -223.43145 -216.93567 6.49578 2.53311 -214.62750 722.21554
4540.0000 -223.30003 -215.64887 7.65117 2.48564 -215.58096 702.01328
4545.0000 -225.12317 -216.79451 8.32866 2.46416 -216.01221 703.01897
4550.0000 -224.11829 -217.24369 6.87460 2.39915 -217.31795 654.29329
4555.0000 -224.36190 -214.69835 9.66355 2.43895 -216.51868 662.23286
4560.0000 -223.81493 -214.24194 9.57299 2.53501 -214.58932 763.74107
4565.0000 -222.73985 -213.61585 9.12400 2.56423 -214.00252 751.51769
4570.0000 -222.41688 -213.83821 8.57867 2.57438 -213.79879 746.70703
4575.0000 -223.05774 -214.62624 8.43150 2.53815 -214.52640 736.66710
4580.0000 -223.69355 -215.56674 8.12681 2.53084 -214.67318 732.15134
4585.0000 -224.37450 -216.04274 8.33176 2.47963 -215.70169 687.44636
4590.0000 -221.35642 -213.07239 8.28403 2.49683 -215.35613 708.31164
4595.0000 -223.00665 -214.73947 8.26718 2.56163 -214.05485 757.89812
4600.0000 -224.63956 -216.20784 8.43172 2.51029 -215.08578 715.61459
4605.0000 -221.98099 -214.13576 7.84523 2.49239 -215.44539 711.51839
4610.0000 -223.58367 -214.42591 9.15776 2.53299 -214.63009 748.97661
4615.0000 -223.39135 -215.38683 8.00452 2.52449 -214.80066 734.55696
4620.0000 -223.33941 -213.17360 10.16581 2.51564 -214.97834 733.62843
4625.0000 -223.43936 -214.65619 8.78317 2.54089 -214.47133 760.59509
4630.0000 -224.17885 -214.19202 9.98684 2.51476 -214.99602 728.30449
4635.0000 -222.03807 -212.68938 9.34868 2.60525 -213.17889 773.65506
4640.0000 -223.04886 -214.91366 8.13520 2.58163 -213.65322 759.93439
4645.0000 -222.69007 -213.93694 8.75313 2.52454 -214.79961 713.14393
4650.0000 -221.90857 -213.42862 8.47995 2.56325 -214.02233 753.60856
4655.0000 -224.20548 -215.15539 9.05009 2.53277 -214.63437 758.65180
4660.0000 -223.84043 -214.79867 9.04176 2.52053 -214.88030 742.82357
4665.0000 -223.51239 -214.40488 9.10751 2.53120 -214.66584 733.98928
4670.0000 -223.98350 -214.97780 9.00569 2.53268 -214.63623 729.28097
4675.0000 -223.22966 -216.26150 6.96816 2.47765 -215.74141 696.28813
4680.0000 -222.76283 -213.62670 9.13613 2.50636 -215.16479 716.50977
4685.0000 -223.88438 -214.56717 9.31721 2.52674 -214.75546 738.14955
4690.0000 -223.44975 -216.18807 7.26168 2.51518 -214.98776 735.76916
4695.0000 -222.66129 -214.74105 7.92025 2.41014 -217.09723 662.49904
4700.0000 -224.08599 -215.80980 8.27618 2.49150 -215.46313 716.89505
4705.0000 -223.23882 -214.14781 9.09101 2.51806 -214.92976 733.89090
4710.0000 -222.56956 -213.97339 8.59617 2.55291 -214.22988 754.99951
4715.0000 -223.70074 -215.30993 8.39081 2.48979 -215.49767 703.36890
4720.0000 -223.46197 -215.75172 7.71025 2.48933 -215.50672 730.45082
4725.0000 -222.04843 -213.97412 8.07431 2.54476 -214.39364 716.04140
4730.0000 -225.37225 -216.65025 8.72200 2.51747 -214.94173 734.56046
4735.0000 -222.78089 -215.62812 7.15277 2.46364 -216.02266 698.13246
4740.0000 -222.83650 -214.49320 8.34330 2.51941 -214.90275 731.44674
4745.0000 -221.86355 -213.45406 8.40949 2.61504 -212.98210 785.00063
4750.0000 -222.85125 -212.55236 10.29889 2.60703 -213.14314 763.06753
FREEZING PROCESS: loop number 20 T-loop= 704.00000000000000
main_MD> interactions number 20 at Temperature= 704.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54395 1.20877 0.53462
force_rgl> df(natom) -0.09245 -2.36357 -1.42650
4755.0000 -222.63658 -214.17709 8.45948 2.60155 -213.25302 769.90407
4760.0000 -223.03744 -215.29508 7.74236 2.50649 -215.16210 723.67730
4765.0000 -224.46711 -217.16328 7.30383 2.45892 -216.11759 711.77482
4770.0000 -224.38688 -216.78237 7.60451 2.39876 -217.32576 666.58520
4775.0000 -223.40152 -216.21371 7.18780 2.43598 -216.57816 686.50640
4780.0000 -224.29569 -214.04717 10.24852 2.55496 -214.18873 764.11620
4785.0000 -224.58583 -216.21845 8.36738 2.50202 -215.25194 728.68964
4790.0000 -222.57794 -214.88613 7.69181 2.48624 -215.56893 692.52216
4795.0000 -224.06749 -216.73807 7.32942 2.45292 -216.23794 664.31539
4800.0000 -224.61603 -217.80228 6.81375 2.44177 -216.46200 691.84971
4805.0000 -224.49417 -216.48037 8.01380 2.44387 -216.41985 681.93310
4810.0000 -222.55096 -213.67766 8.87330 2.49816 -215.32949 701.31064
4815.0000 -224.42148 -215.56520 8.85628 2.58462 -213.59316 779.33787
4820.0000 -224.78286 -215.12651 9.65635 2.48811 -215.53137 716.78980
4825.0000 -224.12178 -215.53405 8.58773 2.49368 -215.41947 699.86815
4830.0000 -224.94991 -216.64613 8.30379 2.44774 -216.34198 693.27689
4835.0000 -223.92129 -215.18541 8.73588 2.46604 -215.97461 685.12844
4840.0000 -223.36941 -215.91147 7.45794 2.50480 -215.19617 728.29275
4845.0000 -224.96537 -217.39851 7.56686 2.44151 -216.46715 699.47352
4850.0000 -223.41955 -215.77849 7.64107 2.42285 -216.84184 685.57668
4855.0000 -225.72850 -218.04953 7.67897 2.40467 -217.20697 659.26975
4860.0000 -224.15170 -215.95958 8.19212 2.43205 -216.65718 679.94764
4865.0000 -224.66100 -216.59067 8.07033 2.44163 -216.46481 684.12772
4870.0000 -224.73582 -216.85266 7.88316 2.44742 -216.34858 684.02065
4875.0000 -223.65198 -215.44839 8.20359 2.44437 -216.40976 682.36831
4880.0000 -223.78428 -215.39107 8.39320 2.45752 -216.14567 691.71846
4885.0000 -224.01122 -215.45735 8.55387 2.48966 -215.50017 701.67526
4890.0000 -224.01868 -215.82609 8.19259 2.48023 -215.68959 712.02225
4895.0000 -223.01827 -214.36950 8.64877 2.52057 -214.87947 722.60571
4900.0000 -223.26570 -215.25262 8.01308 2.51264 -215.03868 709.37017
4905.0000 -225.15460 -217.14685 8.00775 2.48971 -215.49924 687.66220
4910.0000 -223.69423 -215.35069 8.34354 2.44334 -216.43039 685.85107
4915.0000 -223.14058 -215.43957 7.70101 2.51082 -215.07528 723.32644
4920.0000 -224.22830 -216.14206 8.08624 2.47001 -215.89474 687.07265
4925.0000 -223.37880 -215.98311 7.39569 2.44730 -216.35091 665.18289
4930.0000 -224.72068 -216.59849 8.12219 2.45893 -216.11739 684.56023
4935.0000 -223.90224 -216.93601 6.96623 2.41310 -217.03765 660.95075
4940.0000 -224.50834 -217.49056 7.01779 2.41987 -216.90182 666.54737
4945.0000 -224.65482 -217.71301 6.94181 2.38989 -217.50386 636.01928
4950.0000 -223.45836 -216.46641 6.99194 2.43338 -216.63038 665.17758
4955.0000 -223.76638 -215.52562 8.24076 2.48819 -215.52969 701.48255
4960.0000 -224.25807 -216.70525 7.55282 2.43498 -216.59841 667.23425
4965.0000 -224.93444 -216.64060 8.29384 2.40916 -217.11686 670.39091
4970.0000 -224.07133 -217.40604 6.66529 2.44291 -216.43913 688.84359
4975.0000 -225.79784 -217.73461 8.06323 2.39600 -217.38116 676.18594
4980.0000 -225.19734 -217.59509 7.60225 2.38324 -217.63741 650.02984
4985.0000 -224.13886 -216.91080 7.22806 2.39676 -217.36591 655.49016
4990.0000 -224.79802 -216.32497 8.47305 2.43990 -216.49951 680.79601
4995.0000 -224.98940 -217.54108 7.44833 2.41672 -216.96498 664.84674
5000.0000 -225.32239 -216.88708 8.43530 2.40600 -217.18035 649.93724
FREEZING PROCESS: loop number 21 T-loop= 679.00000000000000
main_MD> interactions number 21 at Temperature= 679.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.97245 0.38118 0.90708
force_rgl> df(natom) 2.43858 1.18225 -0.71207
5005.0000 -223.83461 -215.74789 8.08672 2.45884 -216.11911 706.60945
5010.0000 -223.49205 -214.60703 8.88502 2.49516 -215.38980 727.87192
5015.0000 -223.99493 -214.80818 9.18675 2.48881 -215.51728 706.07308
5020.0000 -224.48446 -216.24965 8.23481 2.50337 -215.22488 717.89778
5025.0000 -224.43872 -218.13364 6.30507 2.40749 -217.15032 654.59941
5030.0000 -224.63770 -216.99917 7.63854 2.41873 -216.92473 663.09928
5035.0000 -224.17482 -216.03723 8.13759 2.42920 -216.71438 658.99804
5040.0000 -225.37332 -218.10070 7.27262 2.38456 -217.61089 641.06925
5045.0000 -223.58888 -216.54470 7.04418 2.38093 -217.68379 638.81742
5050.0000 -224.98171 -216.31323 8.66849 2.45343 -216.22781 693.14920
5055.0000 -223.82972 -215.62280 8.20692 2.45452 -216.20598 692.61546
5060.0000 -223.58265 -214.76652 8.81613 2.50625 -215.16694 730.16122
5065.0000 -224.61223 -215.18390 9.42833 2.52140 -214.86276 748.14874
5070.0000 -224.85794 -217.54760 7.31034 2.44477 -216.40180 675.45321
5075.0000 -225.59753 -217.30646 8.29107 2.39005 -217.50064 649.34489
5080.0000 -224.18091 -215.95875 8.22216 2.43583 -216.58123 679.43003
5085.0000 -225.94959 -218.49255 7.45703 2.43356 -216.62675 677.68417
5090.0000 -224.75087 -215.12581 9.62505 2.40426 -217.21521 666.94557
5095.0000 -223.76125 -215.11028 8.65098 2.52555 -214.77937 748.00364
5100.0000 -223.36322 -215.39220 7.97102 2.50350 -215.22214 745.98516
5105.0000 -225.63475 -216.31326 9.32149 2.41113 -217.07731 660.83031
5110.0000 -223.08196 -215.41064 7.67133 2.46345 -216.02660 684.43165
5115.0000 -224.70283 -217.28225 7.42058 2.45701 -216.15585 676.73381
5120.0000 -224.51824 -216.69829 7.81995 2.41641 -216.97124 662.58244
5125.0000 -222.67359 -215.15299 7.52060 2.45896 -216.11683 681.56325
5130.0000 -223.98907 -216.65927 7.32980 2.47200 -215.85487 682.17598
5135.0000 -226.15962 -218.27259 7.88703 2.37931 -217.71630 663.37226
5140.0000 -224.97325 -217.22857 7.74469 2.39367 -217.42790 666.56005
5145.0000 -223.30456 -215.75189 7.55267 2.43513 -216.59540 689.54930
5150.0000 -224.10631 -216.22064 7.88567 2.45677 -216.16071 715.36434
5155.0000 -225.18381 -217.57501 7.60881 2.43819 -216.53378 673.80745
5160.0000 -223.61060 -215.54855 8.06205 2.44102 -216.47696 686.29096
5165.0000 -224.21500 -217.37407 6.84092 2.44720 -216.35296 684.31857
5170.0000 -224.67641 -217.57563 7.10078 2.40961 -217.10788 653.72593
5175.0000 -224.31504 -215.27340 9.04163 2.42626 -216.77341 661.02447
5180.0000 -223.75810 -214.91237 8.84574 2.49425 -215.40797 691.30205
5185.0000 -225.02429 -215.73914 9.28515 2.50456 -215.20093 723.40486
5190.0000 -225.27169 -217.99599 7.27570 2.42687 -216.76130 671.21261
5195.0000 -224.39313 -216.24008 8.15306 2.44679 -216.36119 709.85299
5200.0000 -223.99924 -217.10254 6.89670 2.39583 -217.38462 644.78590
5205.0000 -223.62962 -215.27182 8.35780 2.50857 -215.12044 715.00827
5210.0000 -222.90347 -214.31889 8.58458 2.52829 -214.72440 730.99128
5215.0000 -225.04497 -216.76466 8.28031 2.49501 -215.39273 704.50384
5220.0000 -223.93397 -216.66714 7.26683 2.46098 -216.07623 685.76085
5225.0000 -224.10802 -215.00182 9.10620 2.44774 -216.34216 683.34472
5230.0000 -224.51150 -215.64960 8.86190 2.50059 -215.28073 745.12048
5235.0000 -224.49649 -216.23931 8.25719 2.46564 -215.98258 721.95929
5240.0000 -225.70756 -218.99949 6.70807 2.37693 -217.76424 649.78501
5245.0000 -222.97689 -215.80840 7.16849 2.39266 -217.44833 651.57338
5250.0000 -223.92213 -216.90264 7.01949 2.44920 -216.31266 693.62189
FREEZING PROCESS: loop number 22 T-loop= 654.00000000000000
main_MD> interactions number 22 at Temperature= 654.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28508 -1.47708 -3.04405
force_rgl> df(natom) 0.15431 -0.58831 -1.06970
5255.0000 -224.97405 -217.66899 7.30506 2.40271 -217.24641 671.11145
5260.0000 -226.25397 -218.44738 7.80659 2.35567 -218.19119 638.23288
5265.0000 -224.24197 -217.51214 6.72983 2.36541 -217.99548 642.14562
5270.0000 -225.70296 -217.78593 7.91703 2.40615 -217.17728 644.20606
5275.0000 -225.00745 -217.24004 7.76741 2.43905 -216.51651 670.16536
5280.0000 -225.40629 -216.64402 8.76227 2.44465 -216.40404 696.04514
5285.0000 -224.09400 -216.20514 7.88886 2.44357 -216.42577 684.54250
5290.0000 -225.42610 -218.38733 7.03877 2.39638 -217.37358 664.06255
5295.0000 -226.93527 -220.66398 6.27128 2.27174 -219.87659 572.49473
5300.0000 -225.95274 -218.79454 7.15820 2.25342 -220.24463 575.15740
5305.0000 -225.37495 -217.67010 7.70485 2.35432 -218.21820 630.42027
5310.0000 -224.03916 -216.87593 7.16324 2.41369 -217.02594 679.82393
5315.0000 -224.02100 -216.50833 7.51266 2.39283 -217.44480 655.57558
5320.0000 -223.63164 -216.59758 7.03405 2.40728 -217.15457 662.02681
5325.0000 -225.36748 -218.15789 7.20959 2.37758 -217.75116 626.13596
5330.0000 -225.18293 -217.34031 7.84262 2.38675 -217.56689 628.93640
5335.0000 -224.94703 -216.17001 8.77702 2.40913 -217.11742 646.49830
5340.0000 -225.43431 -216.97161 8.46270 2.44559 -216.38533 687.89903
5345.0000 -224.97911 -219.05750 5.92161 2.39728 -217.35549 651.54672
5350.0000 -225.01175 -218.67766 6.33409 2.34414 -218.42270 615.44356
5355.0000 -225.02200 -218.59626 6.42575 2.32762 -218.75453 618.60747
5360.0000 -224.82869 -216.57610 8.25260 2.39417 -217.41793 673.78492
5365.0000 -224.39150 -216.52883 7.86267 2.41813 -216.93678 665.15906
5370.0000 -225.14415 -217.42619 7.71796 2.39064 -217.48888 637.47322
5375.0000 -225.56156 -218.98915 6.57241 2.33512 -218.60384 617.42497
5380.0000 -226.01859 -218.46124 7.55735 2.32730 -218.76095 605.07255
5385.0000 -225.02138 -217.17357 7.84781 2.38422 -217.61772 646.00536
5390.0000 -224.35286 -216.76010 7.59276 2.42940 -216.71045 671.78109
5395.0000 -223.33504 -216.19152 7.14353 2.44873 -216.32220 685.20895
5400.0000 -224.44017 -217.48712 6.95305 2.38834 -217.53497 657.09725
5405.0000 -227.10039 -219.42032 7.68008 2.35984 -218.10735 645.61864
5410.0000 -227.29136 -219.17275 8.11861 2.29842 -219.34077 609.38385
5415.0000 -224.35668 -216.41781 7.93886 2.35221 -218.26053 634.54925
5420.0000 -224.34592 -218.20478 6.14114 2.40401 -217.22034 649.25822
5425.0000 -225.79361 -218.82574 6.96787 2.33747 -218.55668 611.58870
5430.0000 -224.84395 -217.13046 7.71349 2.38772 -217.54752 632.17232
5435.0000 -224.75313 -216.94456 7.80857 2.42909 -216.71659 685.36804
5440.0000 -224.08676 -216.62972 7.45703 2.43760 -216.54566 695.30997
5445.0000 -224.68065 -217.26974 7.41091 2.36348 -218.03417 654.37193
5450.0000 -225.52043 -217.64904 7.87139 2.40930 -217.11403 659.94850
5455.0000 -225.12865 -217.28732 7.84134 2.40535 -217.19345 675.57131
5460.0000 -223.72515 -215.58626 8.13889 2.41593 -216.98084 665.62344
5465.0000 -224.78953 -218.68689 6.10264 2.43222 -216.65385 684.25617
5470.0000 -224.31640 -216.41134 7.90505 2.37214 -217.86037 619.95491
5475.0000 -225.16111 -217.32244 7.83867 2.45357 -216.22490 669.42161
5480.0000 -224.93743 -218.06358 6.87386 2.38583 -217.58548 639.73290
5485.0000 -225.51426 -218.30662 7.20763 2.37241 -217.85483 644.67762
5490.0000 -225.39575 -218.18248 7.21327 2.33396 -218.62713 620.51276
5495.0000 -225.92676 -218.27934 7.64742 2.35093 -218.28628 608.66203
5500.0000 -226.07598 -218.67015 7.40582 2.31080 -219.09225 606.89353
FREEZING PROCESS: loop number 23 T-loop= 629.00000000000000
main_MD> interactions number 23 at Temperature= 629.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05584 1.55484 0.36303
force_rgl> df(natom) 2.37755 -0.58725 -0.68187
5505.0000 -225.24962 -218.49776 6.75186 2.35250 -218.25487 623.76319
5510.0000 -226.03095 -218.35908 7.67187 2.35122 -218.28039 642.89303
5515.0000 -225.73538 -219.25957 6.47581 2.31231 -219.06185 623.62505
5520.0000 -225.31885 -218.05696 7.26189 2.31991 -218.90922 606.39046
5525.0000 -224.71712 -216.11169 8.60542 2.39055 -217.49070 652.33256
5530.0000 -224.78521 -217.22787 7.55734 2.44722 -216.35260 696.64637
5535.0000 -224.64448 -216.89508 7.74941 2.41441 -217.01145 672.54868
5540.0000 -224.89144 -218.01845 6.87299 2.38401 -217.62197 641.92815
5545.0000 -226.01388 -218.45803 7.55585 2.34863 -218.33242 623.43139
5550.0000 -224.34037 -217.15727 7.18310 2.32639 -218.77919 611.56859
5555.0000 -223.86599 -216.67936 7.18663 2.42016 -216.89605 686.60083
5560.0000 -225.28752 -217.73643 7.55109 2.42073 -216.88442 671.83633
5565.0000 -225.87967 -218.34606 7.53361 2.37437 -217.81547 629.17996
5570.0000 -225.82515 -219.51493 6.31022 2.37341 -217.83474 654.93508
5575.0000 -226.83953 -219.91665 6.92288 2.29965 -219.31619 618.30612
5580.0000 -225.03912 -217.87334 7.16578 2.31890 -218.92949 607.25011
5585.0000 -226.26014 -217.61927 8.64087 2.36590 -217.98567 645.46912
5590.0000 -226.19701 -219.70700 6.49001 2.31105 -219.08717 607.46075
5595.0000 -227.80905 -221.15924 6.64981 2.23113 -220.69224 577.61436
5600.0000 -225.87444 -218.72596 7.14848 2.25505 -220.21189 581.71715
5605.0000 -224.19254 -217.43786 6.75468 2.36566 -217.99039 640.24537
5610.0000 -225.46934 -218.14011 7.32923 2.35633 -218.17794 611.36383
5615.0000 -224.46169 -217.48827 6.97343 2.36249 -218.05416 611.86181
5620.0000 -224.82823 -218.01659 6.81164 2.39514 -217.39846 642.02722
5625.0000 -224.74648 -217.63520 7.11128 2.38650 -217.57203 654.11645
5630.0000 -225.62389 -218.37923 7.24466 2.39708 -217.35954 654.43432
5635.0000 -225.94838 -218.76946 7.17893 2.33915 -218.52292 633.84328
5640.0000 -225.31611 -216.38954 8.92657 2.35243 -218.25620 617.92491
5645.0000 -223.86406 -216.37384 7.49023 2.44008 -216.49594 673.80793
5650.0000 -224.81439 -216.54949 8.26490 2.44519 -216.39333 682.74053
5655.0000 -225.17217 -217.67382 7.49835 2.38537 -217.59459 641.71105
5660.0000 -224.99388 -218.21265 6.78123 2.36616 -217.98034 644.82245
5665.0000 -225.12260 -217.20991 7.91270 2.38116 -217.67920 651.82980
5670.0000 -224.81890 -216.63287 8.18604 2.42832 -216.73207 667.36206
5675.0000 -226.75765 -218.00881 8.74884 2.39821 -217.33681 648.77259
5680.0000 -225.22701 -218.98125 6.24576 2.34555 -218.39438 614.73282
5685.0000 -225.56450 -218.20684 7.35766 2.35496 -218.20533 631.65895
5690.0000 -226.10293 -217.82435 8.27858 2.35276 -218.24956 637.54826
5695.0000 -225.58271 -219.21738 6.36532 2.35519 -218.20072 640.54157
5700.0000 -227.76327 -219.77070 7.99257 2.28958 -219.51844 608.62346
5705.0000 -225.61711 -217.05612 8.56099 2.30466 -219.21564 624.95523
5710.0000 -224.85471 -216.79140 8.06332 2.39401 -217.42117 664.13230
5715.0000 -224.78371 -217.33778 7.44592 2.43449 -216.60814 692.22256
5720.0000 -226.00959 -218.91529 7.09430 2.36208 -218.06244 631.13692
5725.0000 -225.97951 -218.82757 7.15194 2.34287 -218.44823 626.33099
5730.0000 -224.21268 -216.76863 7.44405 2.37416 -217.81977 653.76590
5735.0000 -225.01518 -217.37911 7.63608 2.43461 -216.60577 698.21733
5740.0000 -224.74760 -217.48070 7.26690 2.37145 -217.87425 634.44638
5745.0000 -224.72434 -216.66984 8.05450 2.39986 -217.30358 656.09272
5750.0000 -225.84288 -217.88907 7.95381 2.37441 -217.81478 646.21590
FREEZING PROCESS: loop number 24 T-loop= 604.00000000000000
main_MD> interactions number 24 at Temperature= 604.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07065 0.63491 0.44803
force_rgl> df(natom) 1.04669 -0.09091 -1.54199
5755.0000 -226.87124 -219.16016 7.71108 2.32712 -218.76454 616.08941
5760.0000 -226.34839 -219.42932 6.91907 2.29185 -219.47290 596.69528
5765.0000 -227.08472 -219.92562 7.15909 2.27707 -219.76957 584.42933
5770.0000 -226.01175 -218.31206 7.69970 2.26395 -220.03305 588.91589
5775.0000 -225.72104 -218.56393 7.15710 2.35193 -218.26624 646.03018
5780.0000 -226.72002 -219.96131 6.75871 2.31108 -219.08665 599.26161
5785.0000 -226.63111 -219.90014 6.73098 2.28080 -219.69462 596.34068
5790.0000 -225.88251 -218.09370 7.78880 2.31992 -218.90907 609.85181
5795.0000 -225.95306 -219.70060 6.25246 2.32167 -218.87397 609.70815
5800.0000 -227.18312 -219.80838 7.37474 2.29906 -219.32792 606.52881
5805.0000 -227.60271 -220.88021 6.72250 2.25351 -220.24285 589.17551
5810.0000 -227.38469 -220.56354 6.82114 2.26441 -220.02391 582.52460
5815.0000 -226.91655 -220.83243 6.08411 2.23477 -220.61920 570.70463
5820.0000 -225.64506 -219.03271 6.61235 2.29551 -219.39922 607.85024
5825.0000 -225.83163 -218.86356 6.96807 2.28504 -219.60949 589.74109
5830.0000 -226.31105 -220.25217 6.05888 2.31979 -218.91170 592.18078
5835.0000 -225.83382 -219.15862 6.67520 2.26053 -220.10181 566.06300
5840.0000 -226.38935 -218.90356 7.48579 2.30554 -219.19781 606.15812
5845.0000 -226.45863 -219.83196 6.62667 2.30324 -219.24412 594.36825
5850.0000 -226.41316 -219.16341 7.24975 2.31384 -219.03121 601.61864
5855.0000 -225.96915 -219.88710 6.08205 2.28187 -219.67320 591.53646
5860.0000 -226.68218 -220.73828 5.94390 2.24120 -220.48999 562.90742
5865.0000 -226.60629 -219.13933 7.46696 2.28247 -219.66118 595.53732
5870.0000 -225.77162 -219.49120 6.28042 2.31776 -218.95252 603.54019
5875.0000 -227.18938 -219.18809 8.00129 2.27387 -219.83392 598.76743
5880.0000 -227.61148 -219.65203 7.95945 2.25959 -220.12069 585.74791
5885.0000 -226.36536 -219.38805 6.97731 2.27100 -219.89151 589.06722
5890.0000 -225.03279 -218.59045 6.44234 2.29247 -219.46044 592.69184
5895.0000 -224.88227 -217.16604 7.71623 2.33933 -218.51925 611.48868
5900.0000 -225.02166 -216.86852 8.15313 2.39076 -217.48630 662.15250
5905.0000 -225.83479 -217.78551 8.04928 2.39631 -217.37486 660.71214
5910.0000 -225.47691 -217.71474 7.76217 2.36850 -217.93354 649.94457
5915.0000 -226.34622 -219.07575 7.27047 2.32076 -218.89218 636.09795
5920.0000 -227.53620 -220.90612 6.63008 2.25904 -220.13177 575.08686
5925.0000 -225.89789 -220.04921 5.84867 2.23229 -220.66885 571.20524
5930.0000 -226.14647 -219.03000 7.11647 2.26289 -220.05432 564.08205
5935.0000 -225.87420 -218.79975 7.07445 2.32108 -218.88581 607.02792
5940.0000 -226.70071 -218.97549 7.72522 2.34166 -218.47252 637.63577
5945.0000 -225.54121 -218.90271 6.63850 2.32401 -218.82702 608.40449
5950.0000 -227.27292 -220.28277 6.99015 2.30682 -219.17218 615.09129
5955.0000 -227.60298 -221.01347 6.58951 2.25965 -220.11944 590.39904
5960.0000 -226.56210 -220.03205 6.53006 2.24313 -220.45122 567.23450
5965.0000 -226.28135 -219.92925 6.35210 2.28122 -219.68626 591.44142
5970.0000 -226.00397 -219.73172 6.27225 2.27191 -219.87319 566.62371
5975.0000 -227.11365 -221.96385 5.14980 2.21408 -221.03467 525.82699
5980.0000 -226.47255 -220.36447 6.10808 2.21893 -220.93734 540.32787
5985.0000 -226.34616 -219.63363 6.71253 2.27757 -219.75965 588.49063
5990.0000 -226.55217 -219.61064 6.94153 2.28263 -219.65798 587.91442
5995.0000 -225.65251 -218.92755 6.72496 2.30362 -219.23640 594.10667
6000.0000 -225.98502 -218.32699 7.65803 2.32775 -218.75192 590.17222
FREEZING PROCESS: loop number 25 T-loop= 579.00000000000000
main_MD> interactions number 25 at Temperature= 579.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.37559 -2.90745 0.25415
force_rgl> df(natom) -1.43642 -2.23773 1.52111
6005.0000 -225.72213 -218.12759 7.59454 2.33618 -218.58251 609.80089
6010.0000 -225.07880 -218.74522 6.33358 2.34152 -218.47526 610.98152
6015.0000 -226.70357 -219.52643 7.17714 2.33096 -218.68731 624.90031
6020.0000 -226.39627 -219.26741 7.12886 2.29414 -219.42678 604.83161
6025.0000 -225.42816 -218.69463 6.73353 2.32913 -218.72418 633.13668
6030.0000 -226.58436 -220.45562 6.12874 2.28711 -219.56805 577.32877
6035.0000 -227.70341 -221.19355 6.50987 2.21090 -221.09858 541.26218
6040.0000 -226.76162 -220.84411 5.91751 2.23433 -220.62793 552.14215
6045.0000 -226.36297 -219.40081 6.96216 2.26204 -220.07158 582.41213
6050.0000 -226.16194 -218.67587 7.48608 2.32053 -218.89685 604.40873
6055.0000 -226.43085 -219.29982 7.13103 2.30506 -219.20753 617.08798
6060.0000 -227.75526 -221.11567 6.63959 2.27662 -219.77874 612.82407
6065.0000 -225.76152 -218.59933 7.16219 2.27386 -219.83414 605.07954
6070.0000 -226.30154 -220.28485 6.01670 2.29066 -219.49670 578.46273
6075.0000 -225.80276 -218.65348 7.14928 2.25917 -220.12920 559.28363
6080.0000 -226.56826 -219.43321 7.13505 2.33498 -218.60654 622.41462
6085.0000 -226.76612 -219.58326 7.18286 2.31618 -218.98422 599.41880
6090.0000 -226.41278 -218.99403 7.41875 2.30623 -219.18410 575.80868
6095.0000 -225.09798 -217.39543 7.70255 2.34810 -218.34318 625.21928
6100.0000 -226.01691 -220.07502 5.94189 2.32028 -218.90193 617.84980
6105.0000 -226.50761 -220.62368 5.88394 2.25026 -220.30802 559.35462
6110.0000 -226.37197 -219.66260 6.70937 2.23293 -220.65619 547.19943
6115.0000 -225.44333 -218.83602 6.60730 2.31178 -219.07249 612.14181
6120.0000 -226.06788 -219.83059 6.23729 2.29466 -219.41635 592.67072
6125.0000 -225.79295 -219.25176 6.54119 2.29870 -219.33530 597.79948
6130.0000 -226.08149 -219.95693 6.12456 2.28925 -219.52496 571.03727
6135.0000 -226.08212 -219.88779 6.19434 2.26418 -220.02858 573.32404
6140.0000 -226.55266 -219.39699 7.15567 2.29257 -219.45825 606.79273
6145.0000 -226.33058 -220.19041 6.14017 2.26349 -220.04228 568.84656
6150.0000 -226.72436 -219.99418 6.73018 2.27730 -219.76501 574.84270
6155.0000 -226.23141 -219.67040 6.56101 2.27080 -219.89563 576.48132
6160.0000 -227.08962 -220.10359 6.98603 2.27735 -219.76403 567.23249
6165.0000 -226.53226 -219.30479 7.22747 2.26085 -220.09546 569.36511
6170.0000 -225.32539 -218.11436 7.21102 2.34714 -218.36245 650.14830
6175.0000 -226.49285 -220.05875 6.43410 2.28284 -219.65366 589.90221
6180.0000 -226.02278 -219.30613 6.71665 2.26214 -220.06946 558.67017
6185.0000 -226.09025 -218.51095 7.57931 2.31062 -219.09591 605.49427
6190.0000 -226.52018 -219.31252 7.20766 2.31116 -219.08499 621.09619
6195.0000 -226.40889 -220.10384 6.30505 2.28627 -219.58481 579.49356
6200.0000 -225.63428 -218.78711 6.84716 2.31098 -219.08853 614.76088
6205.0000 -225.94436 -218.88560 7.05876 2.29546 -219.40030 582.44333
6210.0000 -227.06770 -220.49603 6.57167 2.31206 -219.06688 599.57840
6215.0000 -225.62717 -219.26996 6.35721 2.27874 -219.73613 562.73777
6220.0000 -226.36412 -220.08609 6.27803 2.31099 -219.08832 585.17760
6225.0000 -226.88361 -219.49042 7.39320 2.28230 -219.66453 574.64294
6230.0000 -226.91772 -220.71404 6.20368 2.28132 -219.68424 586.23164
6235.0000 -226.04484 -218.14504 7.89980 2.32272 -218.85293 607.85896
6240.0000 -225.89499 -217.84856 8.04643 2.35606 -218.18330 638.62432
6245.0000 -225.25538 -218.93616 6.31923 2.37036 -217.89611 632.54309
6250.0000 -225.76539 -219.48957 6.27581 2.32062 -218.89499 586.27727
FREEZING PROCESS: loop number 26 T-loop= 554.00000000000000
main_MD> interactions number 26 at Temperature= 554.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09004 1.33556 -1.14649
force_rgl> df(natom) 1.02196 2.89928 -1.08570
6255.0000 -227.02742 -219.63823 7.38919 2.28373 -219.63580 598.85387
6260.0000 -227.54648 -221.12171 6.42476 2.20668 -221.18321 555.22293
6265.0000 -228.07225 -221.99221 6.08004 2.20862 -221.14425 574.33586
6270.0000 -229.08261 -222.86054 6.22207 2.14283 -222.46565 542.02614
6275.0000 -229.62108 -223.00778 6.61330 2.14703 -222.38125 562.12495
6280.0000 -229.25249 -222.29768 6.95481 2.15293 -222.26282 572.66748
6285.0000 -229.13521 -222.57307 6.56214 2.15295 -222.26232 572.08419
6290.0000 -228.48507 -222.12135 6.36372 2.13512 -222.62033 545.93533
6295.0000 -227.75828 -219.85291 7.90537 2.18505 -221.61759 583.57093
6300.0000 -227.48541 -221.27154 6.21387 2.23553 -220.60396 602.53035
6305.0000 -227.49277 -221.93910 5.55367 2.19826 -221.35241 572.93717
6310.0000 -228.18080 -222.34972 5.83108 2.16654 -221.98940 525.97420
6315.0000 -227.78729 -221.27489 6.51240 2.19441 -221.42975 553.60742
6320.0000 -228.46125 -222.28350 6.17775 2.16890 -221.94210 529.18233
6325.0000 -226.76872 -220.99747 5.77125 2.21192 -221.07801 550.32993
6330.0000 -226.72293 -220.59723 6.12570 2.22753 -220.76453 542.62106
6335.0000 -227.43201 -219.83742 7.59459 2.24893 -220.33471 567.95421
6340.0000 -227.14110 -221.67634 5.46477 2.23874 -220.53936 560.48439
6345.0000 -226.72329 -221.50488 5.21841 2.20031 -221.31112 531.52244
6350.0000 -226.57041 -218.84282 7.72759 2.27072 -219.89715 605.12024
6355.0000 -227.21570 -221.28329 5.93241 2.23707 -220.57300 573.69771
6360.0000 -227.20633 -221.68510 5.52123 2.22317 -220.85206 566.75456
6365.0000 -227.70628 -221.64106 6.06522 2.18930 -221.53238 518.46198
6370.0000 -227.03053 -219.68153 7.34899 2.24200 -220.47395 564.39536
6375.0000 -226.48724 -218.80510 7.68213 2.31439 -219.02010 591.12665
6380.0000 -226.65084 -220.73197 5.91887 2.26204 -220.07152 554.67800
6385.0000 -226.63047 -220.86732 5.76315 2.20955 -221.12561 523.43319
6390.0000 -227.47539 -221.66624 5.80915 2.21125 -221.09146 523.81481
6395.0000 -227.81929 -222.30619 5.51310 2.18069 -221.70516 526.34994
6400.0000 -229.54630 -223.49878 6.04752 2.12619 -222.79975 513.33612
6405.0000 -229.34755 -222.40230 6.94525 2.11876 -222.94904 522.39903
6410.0000 -229.69599 -223.32990 6.36608 2.10671 -223.19093 511.05229
6415.0000 -229.27942 -223.23511 6.04430 2.10420 -223.24137 504.88152
6420.0000 -227.39348 -220.88957 6.50391 2.13280 -222.66701 529.22841
6425.0000 -227.14365 -220.87556 6.26809 2.23858 -220.54263 585.47648
6430.0000 -228.71668 -221.44971 7.26696 2.20431 -221.23095 558.14819
6435.0000 -226.85419 -220.27697 6.57722 2.23682 -220.57806 607.28203
6440.0000 -228.09189 -221.87442 6.21747 2.22691 -220.77708 590.47986
6445.0000 -227.81993 -223.08855 4.73138 2.15926 -222.13567 531.67859
6450.0000 -227.68737 -221.66435 6.02301 2.16560 -222.00819 522.60631
6455.0000 -227.58466 -220.29304 7.29163 2.21208 -221.07483 558.74215
6460.0000 -227.24148 -220.77235 6.46913 2.22574 -220.80042 589.55433
6465.0000 -228.38932 -221.54286 6.84646 2.23273 -220.66020 579.74012
6470.0000 -229.59137 -223.79250 5.79886 2.15832 -222.15448 521.23487
6475.0000 -227.91527 -221.89913 6.01614 2.13051 -222.71297 502.98333
6480.0000 -226.93599 -219.74832 7.18767 2.19716 -221.37442 556.27795
6485.0000 -226.75932 -220.08865 6.67067 2.23569 -220.60068 573.43566
6490.0000 -227.23957 -220.63087 6.60870 2.23787 -220.55679 564.91279
6495.0000 -227.88431 -222.08835 5.79596 2.20028 -221.31172 537.01307
6500.0000 -226.24243 -219.97970 6.26273 2.22055 -220.90467 554.95211
FREEZING PROCESS: loop number 27 T-loop= 529.00000000000000
main_MD> interactions number 27 at Temperature= 529.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35714 -4.24629 1.53355
force_rgl> df(natom) 0.77606 -1.33429 0.70922
6505.0000 -227.69822 -220.89915 6.79907 2.25821 -220.14840 572.79675
6510.0000 -226.64337 -220.62526 6.01811 2.23141 -220.68654 561.66792
6515.0000 -226.91490 -221.28474 5.63016 2.23464 -220.62177 568.41084
6520.0000 -228.29327 -222.99153 5.30174 2.14529 -222.41622 508.68873
6525.0000 -229.07636 -222.82800 6.24836 2.12989 -222.72553 526.24372
6530.0000 -229.01946 -222.82558 6.19388 2.12287 -222.86634 517.55566
6535.0000 -228.15844 -221.97558 6.18286 2.14748 -222.37228 521.28089
6540.0000 -228.31243 -221.76272 6.54970 2.17652 -221.78906 533.22429
6545.0000 -228.40958 -222.32282 6.08675 2.16722 -221.97566 536.86293
6550.0000 -228.37999 -222.32743 6.05256 2.13538 -222.61514 537.75834
6555.0000 -228.79977 -223.15286 5.64691 2.12077 -222.90857 519.19277
6560.0000 -228.24068 -221.24113 6.99955 2.15378 -222.24573 519.61416
6565.0000 -227.48934 -222.45587 5.03347 2.17379 -221.84389 530.18946
6570.0000 -227.86508 -221.57987 6.28520 2.16424 -222.03567 518.26189
6575.0000 -227.19625 -220.89294 6.30331 2.20725 -221.17180 537.60679
6580.0000 -228.31215 -221.40337 6.90877 2.20981 -221.12032 566.65948
6585.0000 -227.90879 -222.34675 5.56204 2.16279 -222.06472 551.89980
6590.0000 -227.91825 -221.41064 6.50761 2.19341 -221.44982 577.94466
6595.0000 -229.33107 -223.74671 5.58436 2.13495 -222.62376 519.61113
6600.0000 -229.31827 -223.60723 5.71104 2.09918 -223.34220 514.92700
6605.0000 -229.11937 -223.60451 5.51486 2.09146 -223.49729 492.49993
6610.0000 -228.14536 -222.45375 5.69161 2.11860 -222.95220 529.17415
6615.0000 -229.60864 -223.95003 5.65862 2.08406 -223.64582 492.78300
6620.0000 -229.64687 -223.37210 6.27477 2.10983 -223.12832 512.66868
6625.0000 -229.94045 -223.16114 6.77931 2.10829 -223.15931 523.08434
6630.0000 -229.09837 -222.85339 6.24498 2.11022 -223.12044 520.41775
6635.0000 -228.72399 -222.86477 5.85922 2.15159 -222.28969 540.54409
6640.0000 -229.66494 -223.54815 6.11679 2.08480 -223.63104 492.93109
6645.0000 -227.92973 -221.98660 5.94312 2.13093 -222.70447 529.26338
6650.0000 -229.15610 -222.57042 6.58568 2.16518 -222.01670 554.62480
6655.0000 -228.63464 -221.93976 6.69488 2.15741 -222.17266 527.44771
6660.0000 -228.00125 -221.97947 6.02178 2.19537 -221.41041 540.33029
6665.0000 -228.62579 -221.98748 6.63831 2.15147 -222.29210 540.47949
6670.0000 -228.53830 -221.50658 7.03172 2.14429 -222.43633 535.62563
6675.0000 -229.73240 -223.38302 6.34938 2.15813 -222.15837 540.22631
6680.0000 -228.99557 -222.94354 6.05204 2.10247 -223.27617 497.67231
6685.0000 -229.22547 -222.95262 6.27285 2.14127 -222.49686 533.36605
6690.0000 -229.35363 -222.81595 6.53768 2.11564 -223.01167 524.00360
6695.0000 -229.49030 -222.95164 6.53867 2.12249 -222.87397 517.50981
6700.0000 -229.25663 -223.77612 5.48051 2.10880 -223.14901 503.57601
6705.0000 -228.60462 -223.07769 5.52693 2.10647 -223.19573 493.98461
6710.0000 -228.43616 -223.50250 4.93367 2.12033 -222.91740 482.87379
6715.0000 -228.33495 -222.07317 6.26179 2.12693 -222.78490 481.94141
6720.0000 -227.57172 -221.56725 6.00446 2.15573 -222.20645 506.75102
6725.0000 -228.05523 -221.78255 6.27268 2.19079 -221.50240 533.54357
6730.0000 -227.74460 -222.49660 5.24800 2.15201 -222.28118 517.29215
6735.0000 -228.59194 -222.47419 6.11775 2.14386 -222.44497 498.63346
6740.0000 -227.65717 -222.26690 5.39027 2.14363 -222.44942 510.32747
6745.0000 -227.78421 -221.83687 5.94734 2.17065 -221.90686 524.78355
6750.0000 -228.83169 -221.34238 7.48931 2.17514 -221.81669 533.13383
FREEZING PROCESS: loop number 28 T-loop= 504.00000000000000
main_MD> interactions number 28 at Temperature= 504.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29645 -1.39885 -0.74594
force_rgl> df(natom) 1.60289 -0.34989 -0.73933
6755.0000 -228.74711 -222.83114 5.91598 2.16256 -222.06941 524.86269
6760.0000 -228.60274 -222.65679 5.94595 2.11652 -222.99400 484.66703
6765.0000 -229.36486 -223.87382 5.49104 2.10276 -223.27024 478.85194
6770.0000 -228.79452 -223.19121 5.60331 2.06858 -223.95676 454.13501
6775.0000 -227.27963 -221.29425 5.98538 2.17315 -221.85659 532.51517
6780.0000 -228.01042 -221.90584 6.10458 2.18864 -221.54556 531.74723
6785.0000 -228.00729 -221.93946 6.06783 2.16880 -221.94394 516.06456
6790.0000 -228.21842 -222.43590 5.78252 2.17232 -221.87325 542.93345
6795.0000 -229.30732 -223.36758 5.93975 2.12607 -222.80209 502.49050
6800.0000 -228.83823 -223.48615 5.35208 2.10319 -223.26156 472.79589
6805.0000 -228.23777 -221.88144 6.35632 2.11200 -223.08480 494.38374
6810.0000 -229.53818 -222.81350 6.72468 2.14172 -222.48796 531.61013
6815.0000 -228.54718 -223.81664 4.73054 2.12486 -222.82645 503.49794
6820.0000 -227.27619 -221.10757 6.16862 2.15109 -222.29968 505.13804
6825.0000 -227.61448 -221.00665 6.60783 2.17898 -221.73962 530.46456
6830.0000 -227.99843 -221.76872 6.22970 2.17593 -221.80090 523.96105
6835.0000 -227.93210 -221.75027 6.18184 2.16653 -221.98953 527.67001
6840.0000 -229.03507 -222.85339 6.18168 2.13878 -222.54689 504.06536
6845.0000 -228.59383 -223.68726 4.90657 2.10956 -223.13381 491.71964
6850.0000 -228.34533 -221.90084 6.44449 2.13876 -222.54723 511.73436
6855.0000 -228.68143 -222.79270 5.88872 2.13854 -222.55177 530.53106
6860.0000 -228.46220 -221.66302 6.79917 2.15746 -222.17175 526.17208
6865.0000 -228.52965 -221.79307 6.73658 2.17772 -221.76490 554.49139
6870.0000 -227.84628 -221.29843 6.54785 2.18659 -221.58667 563.16580
6875.0000 -228.25407 -222.36979 5.88428 2.17505 -221.81853 543.73587
6880.0000 -229.31178 -223.75350 5.55828 2.14436 -222.43485 521.91719
6885.0000 -229.54938 -223.29391 6.25547 2.09683 -223.38948 478.71589
6890.0000 -229.27946 -223.13900 6.14046 2.08862 -223.55421 495.77203
6895.0000 -228.75303 -222.54047 6.21256 2.11946 -222.93492 533.84324
6900.0000 -229.48000 -222.97522 6.50479 2.12722 -222.77907 529.60789
6905.0000 -229.97983 -223.81431 6.16552 2.06776 -223.97324 485.54476
6910.0000 -229.64264 -223.45519 6.18745 2.07643 -223.79915 512.51755
6915.0000 -229.28908 -223.25875 6.03033 2.08825 -223.56179 507.77037
6920.0000 -228.71476 -221.88422 6.83053 2.12999 -222.72337 526.96924
6925.0000 -229.75047 -224.08488 5.66558 2.09408 -223.44458 505.81496
6930.0000 -229.67595 -223.95458 5.72137 2.07644 -223.79880 488.10297
6935.0000 -228.86443 -223.18499 5.67944 2.08969 -223.53280 499.72257
6940.0000 -229.94685 -224.69368 5.25317 2.07564 -223.81487 496.57395
6945.0000 -229.59517 -224.29118 5.30399 2.04787 -224.37268 487.22276
6950.0000 -229.25786 -223.14113 6.11674 2.07309 -223.86624 501.02352
6955.0000 -229.83833 -224.44557 5.39276 2.12358 -222.85218 536.35126
6960.0000 -230.68487 -224.94403 5.74083 2.06156 -224.09773 492.88570
6965.0000 -230.16305 -225.11660 5.04645 1.99942 -225.34576 439.33311
6970.0000 -230.65585 -223.85143 6.80442 2.05370 -224.25548 471.84997
6975.0000 -229.45296 -223.89971 5.55325 2.07610 -223.80570 492.78855
6980.0000 -231.04657 -225.36156 5.68501 2.05735 -224.18223 491.90235
6985.0000 -230.46684 -225.09184 5.37500 2.00094 -225.31523 447.70658
6990.0000 -229.56274 -223.57159 5.99115 2.02221 -224.88795 454.29295
6995.0000 -229.14002 -223.21157 5.92846 2.11768 -222.97074 515.96382
7000.0000 -229.14766 -222.90556 6.24210 2.12667 -222.79013 502.51771
FREEZING PROCESS: loop number 29 T-loop= 479.00000000000000
main_MD> interactions number 29 at Temperature= 479.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10056 0.33532 1.70387
force_rgl> df(natom) 0.27687 -1.02926 -0.24822
7005.0000 -229.50362 -223.08737 6.41625 2.10773 -223.17045 499.82248
7010.0000 -227.78395 -221.12938 6.65457 2.15319 -222.25744 531.44530
7015.0000 -228.41152 -222.24543 6.16610 2.16863 -221.94746 541.02063
7020.0000 -229.25391 -222.96996 6.28395 2.13538 -222.61512 520.81691
7025.0000 -229.91156 -223.18151 6.73005 2.12676 -222.78827 515.58864
7030.0000 -227.77633 -222.25623 5.52010 2.13168 -222.68953 503.07688
7035.0000 -229.71720 -224.02017 5.69702 2.09397 -223.44682 501.17808
7040.0000 -230.18538 -223.93620 6.24918 2.06879 -223.95249 486.30923
7045.0000 -229.52575 -223.46360 6.06215 2.07192 -223.88956 484.82443
7050.0000 -230.00493 -225.25056 4.75437 2.06681 -223.99237 488.26850
7055.0000 -229.93809 -224.30134 5.63676 2.03256 -224.68014 460.17078
7060.0000 -230.45615 -224.30819 6.14796 2.06525 -224.02362 479.54206
7065.0000 -229.39110 -223.13327 6.25783 2.08963 -223.53405 511.48406
7070.0000 -229.91588 -223.32367 6.59221 2.09453 -223.43563 504.68189
7075.0000 -229.12758 -223.58288 5.54470 2.07138 -223.90045 491.21023
7080.0000 -230.12083 -224.55467 5.56616 2.02948 -224.74205 457.93034
7085.0000 -230.22267 -225.42454 4.79813 2.03253 -224.68079 456.56387
7090.0000 -230.19453 -225.38775 4.80678 2.01419 -225.04901 438.91223
7095.0000 -230.06298 -224.07968 5.98329 2.01994 -224.93353 456.70189
7100.0000 -230.22226 -224.95521 5.26704 2.01852 -224.96202 455.37603
7105.0000 -230.19433 -224.07682 6.11751 2.04799 -224.37016 472.58947
7110.0000 -230.13413 -225.15369 4.98044 2.03650 -224.60109 462.36511
7115.0000 -230.86828 -225.79037 5.07791 1.98303 -225.67474 442.90764
7120.0000 -229.97315 -223.47329 6.49986 2.01878 -224.95696 464.73958
7125.0000 -229.44485 -223.70357 5.74129 2.08089 -223.70955 499.90339
7130.0000 -228.62352 -222.92730 5.69622 2.08159 -223.69550 489.50404
7135.0000 -229.86395 -223.68505 6.17890 2.08718 -223.58326 497.05591
7140.0000 -229.42354 -223.54750 5.87604 2.07603 -223.80710 497.15667
7145.0000 -229.42298 -223.15189 6.27109 2.11684 -222.98759 524.04078
7150.0000 -228.98788 -223.44210 5.54578 2.08467 -223.63365 500.24765
7155.0000 -228.50845 -222.90898 5.59947 2.11836 -222.95702 516.74477
7160.0000 -228.91103 -224.11432 4.79672 2.07407 -223.84640 479.36245
7165.0000 -230.00456 -224.93282 5.07174 2.04133 -224.50397 456.72013
7170.0000 -229.88678 -225.37557 4.51121 2.02246 -224.88294 441.20330
7175.0000 -229.65789 -224.61871 5.03917 2.01754 -224.98175 435.17728
7180.0000 -229.11861 -223.20783 5.91078 2.06427 -224.04337 481.00714
7185.0000 -230.67536 -224.75666 5.91870 2.05982 -224.13267 467.71436
7190.0000 -230.05993 -223.85499 6.20494 2.06561 -224.01630 472.86612
7195.0000 -229.50013 -224.97043 4.52970 2.03662 -224.59866 450.95573
7200.0000 -230.03011 -224.19125 5.83887 2.06407 -224.04733 477.09875
7205.0000 -230.26535 -225.46382 4.80152 2.01976 -224.93713 448.29850
7210.0000 -229.31756 -223.74168 5.57588 2.04987 -224.33243 474.15152
7215.0000 -230.35341 -224.40447 5.94894 2.05142 -224.30129 475.09535
7220.0000 -230.25147 -224.92052 5.33095 2.04346 -224.46126 462.86266
7225.0000 -229.80437 -224.20823 5.59614 2.04934 -224.34321 459.08124
7230.0000 -229.07389 -223.23626 5.83763 2.08577 -223.61160 487.14320
7235.0000 -229.58520 -223.17794 6.40727 2.12097 -222.90452 527.73532
7240.0000 -229.32893 -223.73822 5.59071 2.08548 -223.61733 505.64864
7245.0000 -230.68714 -225.32519 5.36195 2.04488 -224.43260 474.91212
7250.0000 -229.83182 -225.65131 4.18051 1.98184 -225.69879 430.02221
FREEZING PROCESS: loop number 30 T-loop= 454.00000000000000
main_MD> interactions number 30 at Temperature= 454.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33242 2.62177 0.48471
force_rgl> df(natom) -2.40247 1.00863 -0.62154
7255.0000 -231.33128 -225.77339 5.55788 1.98799 -225.57528 441.38180
7260.0000 -229.69079 -224.85586 4.83494 1.99002 -225.53451 436.78663
7265.0000 -229.51715 -224.07728 5.43987 2.02344 -224.86320 464.73047
7270.0000 -230.68034 -224.76441 5.91592 2.04110 -224.50866 475.94702
7275.0000 -229.99395 -224.79417 5.19978 1.99769 -225.38050 437.48026
7280.0000 -230.62772 -224.86692 5.76080 2.03344 -224.66236 474.79690
7285.0000 -230.69675 -225.73046 4.96629 2.00653 -225.20283 462.70982
7290.0000 -231.14937 -225.61235 5.53702 1.98656 -225.60385 452.86027
7295.0000 -230.75739 -225.96737 4.79002 1.97755 -225.78483 441.37759
7300.0000 -230.46071 -225.55980 4.90091 1.99427 -225.44911 454.29344
7305.0000 -230.65330 -224.70430 5.94900 1.99376 -225.45938 456.20296
7310.0000 -230.47324 -225.28895 5.18429 2.01149 -225.10327 463.87963
7315.0000 -230.78909 -225.92410 4.86499 1.98310 -225.67343 445.45848
7320.0000 -231.68477 -226.94101 4.74376 1.93435 -226.65243 406.78334
7325.0000 -231.64522 -227.19110 4.45412 1.90924 -227.15667 385.76308
7330.0000 -230.32508 -225.89814 4.42693 1.93075 -226.72472 384.17830
7335.0000 -229.99863 -224.25321 5.74542 2.01751 -224.98238 439.59306
7340.0000 -229.92462 -224.58874 5.33588 2.03811 -224.56876 464.15467
7345.0000 -229.23211 -224.34579 4.88632 2.02818 -224.76803 464.30701
7350.0000 -230.03034 -224.05448 5.97586 2.03532 -224.62466 473.64287
7355.0000 -230.31947 -224.61681 5.70266 2.02838 -224.76407 477.55531
7360.0000 -230.36686 -224.76940 5.59746 2.04116 -224.50737 470.29723
7365.0000 -230.32812 -225.56669 4.76143 2.00731 -225.18728 451.52496
7370.0000 -231.31631 -225.99204 5.32427 1.98930 -225.54899 442.30319
7375.0000 -230.90113 -226.20662 4.69452 1.97136 -225.90926 427.71457
7380.0000 -230.96214 -225.77425 5.18789 1.97067 -225.92314 424.96611
7385.0000 -230.21759 -225.02272 5.19487 1.98336 -225.66821 433.78715
7390.0000 -230.48157 -225.00424 5.47733 2.00918 -225.14968 454.00904
7395.0000 -230.45590 -225.14972 5.30618 2.01294 -225.07409 459.86540
7400.0000 -230.71640 -224.76309 5.95332 2.01175 -225.09810 453.76487
7405.0000 -230.15156 -225.22395 4.92761 2.01157 -225.10170 446.72752
7410.0000 -230.26308 -225.03573 5.22735 2.02056 -224.92121 442.67664
7415.0000 -229.13705 -223.84069 5.29636 2.04349 -224.46068 460.96108
7420.0000 -230.21223 -224.42419 5.78804 2.03678 -224.59530 465.01750
7425.0000 -230.02826 -225.04814 4.98012 2.01807 -224.97108 453.12018
7430.0000 -230.55609 -225.76246 4.79363 1.97874 -225.76102 422.82785
7435.0000 -230.09466 -225.51631 4.57835 1.95763 -226.18488 407.99160
7440.0000 -229.78760 -224.48042 5.30718 2.04744 -224.38127 473.74240
7445.0000 -230.90279 -224.96513 5.93766 2.03722 -224.58658 465.81011
7450.0000 -230.12247 -225.60693 4.51554 1.99891 -225.35584 447.30299
7455.0000 -230.26876 -224.85076 5.41801 2.01409 -225.05099 457.51700
7460.0000 -230.59266 -225.12808 5.46458 2.02604 -224.81114 466.74565
7465.0000 -230.17478 -225.19155 4.98323 2.01435 -225.04580 456.78224
7470.0000 -229.69235 -224.56242 5.12993 2.02459 -224.84024 460.94445
7475.0000 -229.66570 -224.19218 5.47352 2.06447 -224.03927 488.63583
7480.0000 -229.97778 -224.76941 5.20836 2.06404 -224.04799 468.93203
7485.0000 -229.99062 -224.21772 5.77290 2.05560 -224.21747 473.49313
7490.0000 -229.42573 -224.27383 5.15190 2.03256 -224.68014 454.67801
7495.0000 -229.97349 -224.48562 5.48786 2.06680 -223.99254 484.56809
7500.0000 -230.21745 -224.97112 5.24633 2.03844 -224.56195 459.64620
FREEZING PROCESS: loop number 31 T-loop= 429.00000000000000
main_MD> interactions number 31 at Temperature= 429.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51267 -2.69974 -2.36939
force_rgl> df(natom) 0.78588 -1.90789 0.82763
7505.0000 -230.64208 -225.78836 4.85372 2.00482 -225.23724 435.89153
7510.0000 -230.47740 -225.23000 5.24740 1.97460 -225.84416 413.31271
7515.0000 -230.79707 -225.72082 5.07625 1.99838 -225.36647 435.59355
7520.0000 -230.77189 -226.08774 4.68416 1.97024 -225.93167 418.92295
7525.0000 -230.72905 -226.08279 4.64627 1.96991 -225.93841 410.80327
7530.0000 -229.60429 -225.47687 4.12742 2.00207 -225.29238 419.91661
7535.0000 -230.08314 -225.14396 4.93918 2.00988 -225.13566 433.40704
7540.0000 -230.08426 -223.95765 6.12661 2.04657 -224.39880 461.70872
7545.0000 -230.26702 -224.73698 5.53004 2.03580 -224.61509 455.56069
7550.0000 -231.17394 -225.88363 5.29032 1.97753 -225.78535 418.33485
7555.0000 -231.26340 -226.42374 4.83967 1.96010 -226.13532 417.89469
7560.0000 -231.50488 -227.11536 4.38953 1.92288 -226.88285 402.64165
7565.0000 -231.56771 -227.29490 4.27281 1.92284 -226.88356 405.44984
7570.0000 -230.26129 -225.53101 4.73028 1.94213 -226.49628 412.61845
7575.0000 -231.54161 -226.06487 5.47675 1.97800 -225.77580 442.27375
7580.0000 -231.39588 -226.49675 4.89913 1.93148 -226.71020 411.54798
7585.0000 -231.56066 -226.66230 4.89835 1.93992 -226.54053 417.29748
7590.0000 -231.14308 -226.23847 4.90461 1.93509 -226.63769 416.78547
7595.0000 -231.29316 -225.56478 5.72839 1.96390 -226.05898 435.26309
7600.0000 -230.85462 -226.32541 4.52922 1.95177 -226.30272 426.08862
7605.0000 -231.29856 -226.14860 5.14996 1.95288 -226.28029 426.46579
7610.0000 -230.78628 -225.39297 5.39330 1.98018 -225.73198 449.85439
7615.0000 -231.38536 -226.57509 4.81028 1.95662 -226.20523 428.93362
7620.0000 -230.31083 -225.22433 5.08650 1.95452 -226.24733 428.27492
7625.0000 -230.69522 -225.61642 5.07880 2.00705 -225.19242 461.72344
7630.0000 -231.52213 -226.87563 4.64650 1.99943 -225.34537 450.17620
7635.0000 -231.49830 -227.37820 4.12011 1.93648 -226.60963 401.46999
7640.0000 -231.15568 -225.85643 5.29926 1.94994 -226.33944 415.20021
7645.0000 -231.13221 -226.25779 4.87441 1.96641 -226.00853 427.99342
7650.0000 -230.89982 -225.19431 5.70551 1.98986 -225.53761 447.81641
7655.0000 -230.38201 -225.87393 4.50807 1.98558 -225.62363 443.92014
7660.0000 -231.78155 -226.73294 5.04861 1.96994 -225.93777 437.21892
7665.0000 -231.06169 -225.52542 5.53627 1.94697 -226.39909 407.58627
7670.0000 -229.80742 -224.36216 5.44525 1.98852 -225.56465 435.60201
7675.0000 -229.56072 -224.62417 4.93655 2.00521 -225.22945 445.69294
7680.0000 -230.44145 -225.36977 5.07169 2.02009 -224.93065 462.71474
7685.0000 -230.88776 -225.74356 5.14420 1.99088 -225.51710 441.26929
7690.0000 -231.55895 -225.78447 5.77448 1.98518 -225.63170 442.41655
7695.0000 -231.25235 -226.45050 4.80186 1.94867 -226.36495 414.21686
7700.0000 -231.58905 -226.34423 5.24482 1.94329 -226.47287 415.45648
7705.0000 -231.02742 -226.31122 4.71620 1.92672 -226.80566 404.07467
7710.0000 -231.12983 -227.02106 4.10877 1.94761 -226.38620 416.96568
7715.0000 -231.32270 -226.77018 4.55252 1.89600 -227.42258 378.86782
7720.0000 -231.15722 -227.00967 4.14755 1.93210 -226.69758 407.35548
7725.0000 -231.43564 -226.87342 4.56222 1.92638 -226.81249 402.96844
7730.0000 -231.70909 -226.32157 5.38752 1.95037 -226.33080 417.61250
7735.0000 -231.58294 -226.86095 4.72199 1.94227 -226.49339 408.73314
7740.0000 -231.17130 -226.40932 4.76198 1.93547 -226.63000 399.09273
7745.0000 -231.08747 -226.82677 4.26070 1.93519 -226.63564 403.97446
7750.0000 -231.10287 -226.24481 4.85806 1.93655 -226.60837 414.90341
FREEZING PROCESS: loop number 32 T-loop= 404.00000000000000
main_MD> interactions number 32 at Temperature= 404.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.50943 -1.15081 -0.52164
force_rgl> df(natom) -0.45495 1.00914 1.43750
7755.0000 -231.50807 -226.87092 4.63715 1.91545 -227.03206 393.61231
7760.0000 -231.85432 -226.81952 5.03480 1.90908 -227.15987 392.23411
7765.0000 -230.94309 -226.41937 4.52372 1.93081 -226.72359 409.70356
7770.0000 -230.96557 -226.04544 4.92012 1.95477 -226.24233 415.13572
7775.0000 -230.67575 -225.99542 4.68032 1.97583 -225.81947 434.02593
7780.0000 -231.59329 -226.19509 5.39820 1.96407 -226.05568 423.88400
7785.0000 -231.23904 -226.61931 4.61973 1.96363 -226.06453 432.64148
7790.0000 -231.33003 -225.74750 5.58253 1.97487 -225.83875 440.09366
7795.0000 -231.05003 -226.21101 4.83902 1.97184 -225.89960 439.13590
7800.0000 -231.51034 -226.65661 4.85374 1.95910 -226.15547 429.76926
7805.0000 -232.11495 -227.63910 4.47585 1.90490 -227.24386 384.88236
7810.0000 -231.50233 -226.71543 4.78690 1.89539 -227.43483 376.03701
7815.0000 -231.22453 -226.38341 4.84112 1.94519 -226.43472 417.78166
7820.0000 -231.74316 -227.20983 4.53332 1.94394 -226.45986 403.61579
7825.0000 -230.57441 -225.63611 4.93829 1.93263 -226.68692 401.52286
7830.0000 -232.21353 -226.85056 5.36298 1.95117 -226.31475 414.89524
7835.0000 -230.45863 -225.55760 4.90103 1.94952 -226.34774 421.20871
7840.0000 -230.98248 -225.76453 5.21795 1.98303 -225.67486 443.55201
7845.0000 -231.61126 -226.40676 5.20450 1.94892 -226.35993 418.84463
7850.0000 -230.92748 -226.30495 4.62253 1.95232 -226.29153 407.54227
7855.0000 -231.18637 -226.76293 4.42344 1.94406 -226.45738 414.18810
7860.0000 -232.06877 -226.87905 5.18972 1.93064 -226.72692 401.45094
7865.0000 -230.85818 -225.66315 5.19503 1.94610 -226.41651 415.04267
7870.0000 -230.49349 -225.56375 4.92973 1.96666 -226.00365 434.31330
7875.0000 -231.81578 -226.69316 5.12262 1.96112 -226.11485 430.34516
7880.0000 -231.10558 -227.15076 3.95483 1.93867 -226.56565 411.82515
7885.0000 -231.37369 -226.82311 4.55058 1.93576 -226.62417 399.04824
7890.0000 -231.68812 -226.73925 4.94887 1.92873 -226.76524 400.49823
7895.0000 -231.85931 -227.41331 4.44600 1.90478 -227.24632 384.65408
7900.0000 -231.04412 -226.52299 4.52113 1.91365 -227.06813 386.62971
7905.0000 -231.48676 -226.43040 5.05636 1.95084 -226.32137 418.55075
7910.0000 -231.22446 -227.04969 4.17476 1.91220 -227.09734 391.88007
7915.0000 -231.82124 -227.04720 4.77403 1.91444 -227.05234 392.05641
7920.0000 -231.66252 -226.84577 4.81675 1.92080 -226.92450 398.71011
7925.0000 -231.70608 -226.80747 4.89862 1.93855 -226.56819 409.07115
7930.0000 -231.23456 -226.49147 4.74309 1.92094 -226.92174 399.35125
7935.0000 -231.36766 -227.10595 4.26170 1.94952 -226.34779 420.26971
7940.0000 -230.82051 -226.03771 4.78279 1.92250 -226.89038 385.39785
7945.0000 -230.81959 -225.92250 4.89709 1.96640 -226.00890 420.72963
7950.0000 -231.00551 -226.46581 4.53969 1.93288 -226.68195 400.60123
7955.0000 -231.54829 -225.94998 5.59831 1.96568 -226.02332 424.70711
7960.0000 -231.51874 -227.06606 4.45267 1.93059 -226.72808 397.45757
7965.0000 -231.37334 -226.36185 5.01149 1.96159 -226.10543 415.87293
7970.0000 -230.78878 -225.79463 4.99415 1.97658 -225.80432 431.18062
7975.0000 -231.36805 -225.83211 5.53594 1.97614 -225.81319 434.77013
7980.0000 -230.69328 -226.05756 4.63572 1.96412 -226.05469 429.29954
7985.0000 -231.78785 -227.45802 4.32983 1.95338 -226.27021 422.64080
7990.0000 -231.19878 -226.75458 4.44420 1.92789 -226.78229 401.44510
7995.0000 -231.04222 -226.65436 4.38785 1.94568 -226.42502 419.29947
8000.0000 -230.85776 -226.49858 4.35918 1.92943 -226.75128 402.21744
FREEZING PROCESS: loop number 33 T-loop= 379.00000000000000
main_MD> interactions number 33 at Temperature= 379.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75318 -0.80613 -1.18110
force_rgl> df(natom) 1.42701 0.75727 2.68391
8005.0000 -231.75646 -226.91236 4.84410 1.92625 -226.81520 397.29133
8010.0000 -231.53680 -227.25798 4.27881 1.89295 -227.48401 372.30861
8015.0000 -231.61990 -227.13507 4.48483 1.90359 -227.27030 379.76382
8020.0000 -232.02820 -228.07805 3.95015 1.87999 -227.74421 361.06345
8025.0000 -231.87200 -227.97304 3.89896 1.85561 -228.23379 344.91250
8030.0000 -231.66924 -227.12735 4.54189 1.88448 -227.65392 367.87902
8035.0000 -230.98548 -226.31809 4.66739 1.94734 -226.39166 417.31543
8040.0000 -231.00774 -226.49014 4.51760 1.94481 -226.44237 418.57842
8045.0000 -231.23927 -226.81407 4.42520 1.92274 -226.88560 395.81371
8050.0000 -231.48240 -227.06562 4.41679 1.91223 -227.09664 388.92837
8055.0000 -231.89764 -228.19320 3.70445 1.87988 -227.74643 364.30837
8060.0000 -232.19962 -227.36747 4.83215 1.87179 -227.90889 364.75019
8065.0000 -231.48708 -227.40483 4.08225 1.90618 -227.21826 385.27067
8070.0000 -231.67650 -227.29868 4.37781 1.88166 -227.71074 368.17566
8075.0000 -231.89028 -227.17506 4.71522 1.89704 -227.40185 381.63157
8080.0000 -231.72946 -227.51487 4.21459 1.89441 -227.45459 379.08575
8085.0000 -231.43411 -226.05088 5.38323 1.91948 -226.95117 397.41741
8090.0000 -231.45459 -226.97232 4.48227 1.93057 -226.72828 399.96973
8095.0000 -232.14359 -227.98720 4.15638 1.87535 -227.83730 358.73468
8100.0000 -231.58262 -227.96806 3.61456 1.86893 -227.96629 358.77731
8105.0000 -231.99935 -227.88472 4.11463 1.87456 -227.85326 359.55257
8110.0000 -230.80668 -226.19773 4.60894 1.90359 -227.27014 386.53427
8115.0000 -231.21572 -226.58258 4.63314 1.94712 -226.39598 417.85673
8120.0000 -231.41247 -226.74957 4.66289 1.90548 -227.23230 386.45062
8125.0000 -231.47601 -227.63774 3.83827 1.90743 -227.19308 387.15150
8130.0000 -231.94293 -227.60164 4.34129 1.88661 -227.61131 372.41086
8135.0000 -231.96304 -228.06063 3.90241 1.87457 -227.85299 358.71303
8140.0000 -231.53413 -227.03877 4.49537 1.89060 -227.53116 372.88604
8145.0000 -231.39149 -226.21569 5.17580 1.94263 -226.48612 411.95634
8150.0000 -231.22098 -226.30477 4.91621 1.93074 -226.72500 406.92542
8155.0000 -232.39076 -228.63981 3.75095 1.90665 -227.20876 385.88961
8160.0000 -231.67443 -227.36791 4.30652 1.86219 -228.10168 351.79450
8165.0000 -230.90821 -226.21584 4.69237 1.90841 -227.17346 388.35189
8170.0000 -231.38804 -227.78576 3.60227 1.91844 -226.97200 392.92717
8175.0000 -231.42236 -227.13551 4.28686 1.90132 -227.31589 378.71544
8180.0000 -231.77099 -227.53595 4.23504 1.90100 -227.32221 387.07204
8185.0000 -231.63092 -227.01193 4.61900 1.90284 -227.28528 382.66132
8190.0000 -231.52209 -227.09674 4.42534 1.93136 -226.71246 411.11864
8195.0000 -231.42030 -226.77763 4.64267 1.93563 -226.62671 409.71832
8200.0000 -231.47256 -227.23467 4.23790 1.91620 -227.01692 395.83465
8205.0000 -231.62870 -226.94458 4.68412 1.91700 -227.00098 394.73729
8210.0000 -231.88945 -227.87475 4.01470 1.87377 -227.86902 363.11057
8215.0000 -231.33896 -226.76162 4.57734 1.89870 -227.36849 382.13524
8220.0000 -232.43762 -227.73487 4.70274 1.89879 -227.36657 383.06267
8225.0000 -231.86705 -227.25974 4.60731 1.90924 -227.15674 389.48085
8230.0000 -231.74672 -227.78057 3.96615 1.90554 -227.23098 387.25280
8235.0000 -231.92594 -227.15955 4.76639 1.90102 -227.32189 382.36082
8240.0000 -231.77256 -226.76428 5.00828 1.89353 -227.47221 378.61713
8245.0000 -231.70274 -227.12349 4.57925 1.93996 -226.53971 414.36340
8250.0000 -231.09577 -226.97281 4.12296 1.89820 -227.37848 371.64444
FREEZING PROCESS: loop number 34 T-loop= 354.00000000000000
main_MD> interactions number 34 at Temperature= 354.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.32309 2.92680 -2.18930
force_rgl> df(natom) -1.24179 -0.62477 0.50918
8255.0000 -232.06255 -227.57540 4.48714 1.89802 -227.38209 371.31733
8260.0000 -231.79129 -227.60631 4.18497 1.90569 -227.22802 374.35263
8265.0000 -232.21537 -227.96023 4.25514 1.88482 -227.64715 362.19115
8270.0000 -232.19587 -227.91919 4.27668 1.86143 -228.11701 350.92089
8275.0000 -231.55408 -227.14117 4.41291 1.89507 -227.44132 375.66537
8280.0000 -231.77694 -227.08725 4.68969 1.89986 -227.34510 385.87615
8285.0000 -232.36138 -227.78906 4.57232 1.87103 -227.92410 357.70372
8290.0000 -231.85365 -227.85823 3.99543 1.85335 -228.27916 348.43011
8295.0000 -232.30506 -227.49302 4.81204 1.87511 -227.84217 360.58262
8300.0000 -232.03213 -227.70308 4.32905 1.88717 -227.60006 371.93807
8305.0000 -232.33940 -227.68697 4.65243 1.87189 -227.90682 361.10039
8310.0000 -231.36859 -227.40259 3.96600 1.88915 -227.56025 372.49684
8315.0000 -232.02829 -227.81974 4.20854 1.88957 -227.55180 376.05717
8320.0000 -232.25806 -228.95466 3.30340 1.85640 -228.21789 349.05637
8325.0000 -232.99627 -229.36125 3.63502 1.80410 -229.26822 305.79946
8330.0000 -232.04687 -228.00175 4.04512 1.84018 -228.54372 338.40396
8335.0000 -232.19311 -227.77274 4.42038 1.86676 -228.00988 354.67737
8340.0000 -232.93531 -228.73917 4.19614 1.85510 -228.24411 346.82438
8345.0000 -232.85952 -229.03154 3.82798 1.82979 -228.75232 326.91800
8350.0000 -232.06256 -227.84169 4.22087 1.84556 -228.43558 338.46704
8355.0000 -232.53823 -228.29932 4.23891 1.86733 -227.99850 355.31761
8360.0000 -232.18758 -228.37031 3.81727 1.86171 -228.11129 352.91809
8365.0000 -231.69182 -227.59793 4.09389 1.87577 -227.82885 361.70526
8370.0000 -232.39286 -228.30020 4.09266 1.87654 -227.81350 365.54844
8375.0000 -231.75427 -228.00933 3.74494 1.87068 -227.93122 355.17651
8380.0000 -231.87481 -227.55288 4.32193 1.88108 -227.72219 369.08425
8385.0000 -232.05482 -227.72168 4.33314 1.86419 -228.06142 355.24843
8390.0000 -232.75476 -228.12625 4.62851 1.88472 -227.64929 374.26249
8395.0000 -231.94453 -227.89303 4.05150 1.86157 -228.11405 351.84452
8400.0000 -232.08100 -227.66050 4.42050 1.88679 -227.60771 369.40749
8405.0000 -231.69645 -227.30055 4.39590 1.89419 -227.45897 376.61812
8410.0000 -231.39563 -227.54822 3.84741 1.88583 -227.62687 365.71168
8415.0000 -232.01499 -227.72132 4.29367 1.88993 -227.54457 367.29592
8420.0000 -232.82594 -229.01097 3.81497 1.86906 -227.96361 362.74127
8425.0000 -231.98096 -227.92659 4.05437 1.84046 -228.53809 336.48793
8430.0000 -232.01022 -228.23959 3.77062 1.86861 -227.97265 357.77922
8435.0000 -232.31681 -228.68547 3.63133 1.86828 -227.97944 358.99409
8440.0000 -231.99324 -228.16910 3.82414 1.84002 -228.54693 326.69790
8445.0000 -232.30162 -228.30778 3.99384 1.86063 -228.13302 341.84923
8450.0000 -232.19845 -228.25213 3.94633 1.85055 -228.33546 339.10219
8455.0000 -233.15705 -228.81104 4.34601 1.83279 -228.69218 328.21280
8460.0000 -232.76591 -228.92903 3.83688 1.84586 -228.42970 339.23605
8465.0000 -232.47123 -228.10115 4.37009 1.86676 -228.00990 353.85061
8470.0000 -231.71075 -227.86499 3.84576 1.87115 -227.92181 351.72352
8475.0000 -231.43267 -227.48203 3.95065 1.86630 -228.01914 352.70175
8480.0000 -232.23340 -227.89519 4.33821 1.87227 -227.89918 365.74635
8485.0000 -232.34630 -228.31699 4.02930 1.87204 -227.90388 361.20674
8490.0000 -232.24550 -228.21118 4.03432 1.85192 -228.30788 343.37477
8495.0000 -232.96310 -228.96525 3.99785 1.85193 -228.30762 345.07789
8500.0000 -232.64437 -228.55445 4.08992 1.82965 -228.75523 330.47213
FREEZING PROCESS: loop number 35 T-loop= 329.00000000000000
main_MD> interactions number 35 at Temperature= 329.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55586 2.17041 -0.18002
force_rgl> df(natom) -0.81152 -1.33157 -0.68491
8505.0000 -231.85150 -228.18726 3.66424 1.86566 -228.03206 357.74578
8510.0000 -232.54918 -228.65471 3.89448 1.84886 -228.36934 341.79257
8515.0000 -232.90665 -228.95707 3.94958 1.81487 -229.05199 312.74158
8520.0000 -232.55090 -228.87210 3.67879 1.82743 -228.79973 328.79038
8525.0000 -232.82944 -228.55409 4.27535 1.82964 -228.75537 329.54970
8530.0000 -231.98037 -228.40373 3.57664 1.81526 -229.04422 316.94962
8535.0000 -232.68649 -228.83658 3.84991 1.84369 -228.47328 339.37663
8540.0000 -232.95197 -229.34836 3.60361 1.81375 -229.07457 314.40579
8545.0000 -233.03054 -228.91429 4.11625 1.81914 -228.96627 318.06946
8550.0000 -233.23644 -229.56038 3.67606 1.82080 -228.93289 323.17631
8555.0000 -232.66696 -229.32059 3.34637 1.80555 -229.23908 306.09086
8560.0000 -232.29180 -228.72348 3.56832 1.82116 -228.92572 318.78000
8565.0000 -232.62770 -229.04893 3.57878 1.84747 -228.39721 342.72611
8570.0000 -232.87003 -228.78855 4.08148 1.82103 -228.92826 321.61355
8575.0000 -232.69416 -228.68138 4.01278 1.82772 -228.79394 325.37223
8580.0000 -232.40144 -228.34905 4.05238 1.83140 -228.72002 328.56516
8585.0000 -232.83143 -229.16044 3.67100 1.84074 -228.53240 336.87180
8590.0000 -232.72771 -229.10979 3.61791 1.81055 -229.13884 310.60906
8595.0000 -232.30836 -228.29507 4.01330 1.82573 -228.83384 325.01133
8600.0000 -232.51214 -228.59688 3.91526 1.84793 -228.38800 340.26697
8605.0000 -232.59813 -228.45889 4.13924 1.84693 -228.40811 341.57778
8610.0000 -232.44410 -228.33967 4.10444 1.84771 -228.39236 342.70645
8615.0000 -232.39452 -228.65692 3.73760 1.83949 -228.55754 332.69568
8620.0000 -232.46453 -229.19471 3.26982 1.84293 -228.48852 337.38633
8625.0000 -232.45963 -228.55330 3.90634 1.82740 -228.80042 324.63738
8630.0000 -232.59542 -228.69830 3.89711 1.81741 -229.00093 316.99490
8635.0000 -233.02175 -229.01284 4.00891 1.81191 -229.11148 313.42181
8640.0000 -233.08517 -229.61205 3.47313 1.77820 -229.78840 286.42956
8645.0000 -232.64555 -228.95598 3.68957 1.80619 -229.22635 306.36248
8650.0000 -232.32938 -228.13888 4.19050 1.83386 -228.67052 325.52224
8655.0000 -232.62455 -228.37498 4.24957 1.86249 -228.09563 350.29204
8660.0000 -233.17838 -228.98452 4.19387 1.83165 -228.71490 328.51779
8665.0000 -232.86532 -229.16839 3.69693 1.80831 -229.18367 310.73728
8670.0000 -232.17847 -228.55481 3.62365 1.82510 -228.84650 324.82104
8675.0000 -232.56390 -228.83634 3.72756 1.81428 -229.06381 312.68336
8680.0000 -232.59843 -229.26825 3.33018 1.81960 -228.95696 318.55621
8685.0000 -232.88037 -229.27530 3.60507 1.80109 -229.32871 304.96294
8690.0000 -232.79812 -228.88134 3.91678 1.81839 -228.98132 319.01716
8695.0000 -232.45453 -228.56449 3.89004 1.81979 -228.95309 320.43925
8700.0000 -232.53964 -229.07096 3.46868 1.83490 -228.64970 332.73790
8705.0000 -232.10066 -228.11571 3.98494 1.82917 -228.76479 326.71508
8710.0000 -233.03454 -228.60616 4.42838 1.85856 -228.17462 350.16466
8715.0000 -232.85850 -228.26038 4.59812 1.83732 -228.60117 336.25756
8720.0000 -232.56562 -229.28927 3.27635 1.80650 -229.22005 305.98359
8725.0000 -232.49707 -228.91964 3.57742 1.82130 -228.92281 318.20488
8730.0000 -232.58465 -228.69702 3.88762 1.82141 -228.92061 319.86725
8735.0000 -232.75964 -228.83648 3.92315 1.82504 -228.84780 322.31067
8740.0000 -232.69332 -228.78453 3.90879 1.82294 -228.89001 321.72023
8745.0000 -232.45323 -229.02635 3.42688 1.82510 -228.84648 325.60786
8750.0000 -232.15833 -228.18304 3.97529 1.85264 -228.29343 344.96469
FREEZING PROCESS: loop number 36 T-loop= 304.00000000000000
main_MD> interactions number 36 at Temperature= 304.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.44873 0.68183 1.04605
force_rgl> df(natom) 1.99381 0.54402 1.11653
8755.0000 -231.98803 -228.25470 3.73333 1.84177 -228.51172 336.02142
8760.0000 -232.75659 -228.85285 3.90375 1.83133 -228.72142 329.43138
8765.0000 -232.48444 -228.44596 4.03848 1.83603 -228.62701 330.76611
8770.0000 -232.70713 -228.86157 3.84556 1.84842 -228.37820 338.70964
8775.0000 -232.62070 -229.26044 3.36026 1.80720 -229.20606 308.45474
8780.0000 -232.62605 -229.39846 3.22760 1.79286 -229.49401 294.83550
8785.0000 -233.21787 -230.11416 3.10371 1.77638 -229.82491 279.86038
8790.0000 -232.36200 -228.95866 3.40333 1.78635 -229.62471 289.38858
8795.0000 -232.62910 -229.08123 3.54787 1.80903 -229.16922 309.59494
8800.0000 -233.02075 -229.49440 3.52634 1.79545 -229.44195 298.91959
8805.0000 -233.30404 -230.17830 3.12573 1.78937 -229.56405 294.43703
8810.0000 -233.07803 -229.68439 3.39363 1.77749 -229.80260 282.51833
8815.0000 -233.04207 -229.16174 3.88033 1.79437 -229.46375 298.30580
8820.0000 -232.82047 -229.63540 3.18507 1.80433 -229.26358 303.85168
8825.0000 -232.88309 -229.00284 3.88025 1.80325 -229.28532 307.32828
8830.0000 -232.52419 -229.04577 3.47842 1.81069 -229.13590 312.75410
8835.0000 -232.74264 -229.31987 3.42277 1.80246 -229.30124 306.46908
8840.0000 -233.03475 -229.73564 3.29911 1.77489 -229.85492 281.33114
8845.0000 -233.03794 -229.28989 3.74805 1.80755 -229.19895 311.77251
8850.0000 -233.28816 -229.56010 3.72806 1.78580 -229.63582 296.39929
8855.0000 -232.42707 -228.57447 3.85259 1.82027 -228.94346 318.95970
8860.0000 -232.61100 -228.50762 4.10338 1.82660 -228.81634 324.26736
8865.0000 -232.35854 -228.44302 3.91552 1.83683 -228.61099 327.09112
8870.0000 -232.89616 -229.44064 3.45552 1.81948 -228.95938 318.54192
8875.0000 -232.72761 -228.78263 3.94498 1.80649 -229.22021 305.27157
8880.0000 -232.67611 -229.83637 2.83974 1.79663 -229.41826 295.92426
8885.0000 -232.91228 -229.38670 3.52559 1.79990 -229.35270 301.17081
8890.0000 -232.93347 -228.94521 3.98825 1.80080 -229.33461 300.91725
8895.0000 -232.97210 -229.40836 3.56375 1.82099 -228.92913 319.29855
8900.0000 -232.97856 -229.69380 3.28475 1.77831 -229.78619 286.98227
8905.0000 -233.08405 -229.50058 3.58347 1.77406 -229.87160 282.82722
8910.0000 -232.49447 -229.56543 2.92903 1.79673 -229.41632 301.52745
8915.0000 -232.68524 -229.13943 3.54581 1.80255 -229.29939 308.16544
8920.0000 -232.85364 -228.51452 4.33912 1.83175 -228.71306 328.37150
8925.0000 -232.79009 -228.82192 3.96817 1.84196 -228.50802 340.04484
8930.0000 -232.98027 -229.25859 3.72169 1.80649 -229.22032 309.74198
8935.0000 -233.28627 -229.95588 3.33039 1.80033 -229.34405 304.01626
8940.0000 -233.20204 -229.78694 3.41510 1.79330 -229.48515 298.98264
8945.0000 -233.20938 -229.79540 3.41398 1.77410 -229.87075 283.46218
8950.0000 -232.78343 -229.41204 3.37139 1.76990 -229.95502 276.62063
8955.0000 -233.16485 -229.82787 3.33698 1.78797 -229.59220 294.72953
8960.0000 -233.08834 -229.82504 3.26329 1.79146 -229.52220 295.29539
8965.0000 -233.23960 -229.20518 4.03442 1.78136 -229.72495 292.61385
8970.0000 -232.76065 -228.33064 4.43001 1.84542 -228.43850 341.99937
8975.0000 -232.23732 -228.11075 4.12657 1.84728 -228.40106 341.50071
8980.0000 -232.42832 -227.99731 4.43101 1.86489 -228.04743 354.48308
8985.0000 -232.63853 -228.83697 3.80156 1.85388 -228.26862 343.35601
8990.0000 -232.79320 -229.69772 3.09548 1.80542 -229.24175 307.35000
8995.0000 -232.23184 -228.35876 3.87308 1.82438 -228.86105 321.44237
9000.0000 -232.54634 -228.52855 4.01778 1.85923 -228.16120 345.07978
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 41.0901403 [s].
main_MD> Deallocating global variables
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