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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_84/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_84.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 = 84 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: 84 8400
main_MD> Size of nv and nvoiz: 84 8400
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 = 84
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> 2.2289730014267189E-002 -1.0385318274911034E-002 6.4406738152417542E-002 initial drift of cluster / NP1 for coalescence
init> 0.27485426383838807 0.31532076381608831 0.31516450461924672 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7439444879995756E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26649 0.60336 2.22859
force_rgl> df(natom) 1.24724 -0.29361 -0.31450
preparo> THERMALIZATION PROCESS AT 1209.2534415013135
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -184.51345515097435 13.301528772601442 -197.81498392357580 6.9888473666404919E-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= 1191.0000000000000
main_MD> interactions number 1 at Temperature= 1191.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36104 1.13419 2.14069
force_rgl> df(natom) -1.21927 0.39852 1.83207
5.0000 -194.84165 -180.96879 13.87286 3.41177 -182.36155 1320.98760
10.0000 -199.08153 -186.40155 12.67999 3.34922 -183.56139 1243.76791
15.0000 -198.49434 -185.88995 12.60440 3.19044 -186.60673 1207.56188
20.0000 -200.65675 -186.41340 14.24334 3.19385 -186.54135 1198.02807
25.0000 -199.60144 -184.26432 15.33712 3.20928 -186.24537 1173.51151
30.0000 -198.71832 -186.27953 12.43880 3.28810 -184.73367 1230.72569
35.0000 -197.80132 -186.04092 11.76040 3.20051 -186.41352 1189.40883
40.0000 -198.75394 -185.51101 13.24293 3.22878 -185.87140 1207.68739
45.0000 -199.79799 -184.56453 15.23345 3.28728 -184.74929 1219.17809
50.0000 -197.10189 -182.63029 14.47160 3.26385 -185.19878 1232.72345
55.0000 -198.13916 -184.53510 13.60406 3.38643 -182.84764 1335.50242
60.0000 -196.81963 -184.48194 12.33769 3.30497 -184.41008 1263.27216
65.0000 -197.97131 -185.06490 12.90642 3.21107 -186.21105 1196.90014
70.0000 -196.85903 -185.28045 11.57858 3.30439 -184.42117 1239.31361
75.0000 -197.67850 -186.68081 10.99769 3.17042 -186.99074 1152.25087
80.0000 -198.35316 -185.61969 12.73346 3.18835 -186.64694 1155.55074
85.0000 -199.07000 -186.99410 12.07590 3.23330 -185.78475 1183.83540
90.0000 -199.66585 -187.55063 12.11522 3.19418 -186.53505 1186.43154
95.0000 -199.07768 -186.65656 12.42112 3.17838 -186.83799 1167.14278
100.0000 -199.58628 -185.88263 13.70365 3.24608 -185.53948 1227.52299
105.0000 -198.41984 -187.38706 11.03278 3.20679 -186.29325 1187.55309
110.0000 -199.29469 -186.53829 12.75640 3.19926 -186.43766 1187.53597
115.0000 -197.29726 -185.80213 11.49513 3.20879 -186.25484 1176.75633
120.0000 -198.61352 -187.19930 11.41422 3.17370 -186.92790 1146.43513
125.0000 -199.27570 -187.94192 11.33379 3.13863 -187.60048 1109.78583
130.0000 -194.34078 -181.72258 12.61819 3.30687 -184.37356 1219.58747
135.0000 -196.86307 -182.72499 14.13808 3.44478 -181.72838 1345.14854
140.0000 -199.49454 -187.30061 12.19392 3.29757 -184.55191 1265.35119
145.0000 -199.72683 -188.15490 11.57193 3.13383 -187.69263 1146.26064
150.0000 -201.14783 -188.03343 13.11440 3.14295 -187.51765 1146.37733
155.0000 -200.02143 -188.62339 11.39804 3.15967 -187.19694 1160.80863
160.0000 -200.08467 -187.81171 12.27296 3.07083 -188.90091 1077.99011
165.0000 -199.32746 -185.80463 13.52283 3.26504 -185.17584 1217.29428
170.0000 -199.03802 -186.92171 12.11631 3.14948 -187.39231 1131.53423
175.0000 -200.36923 -187.63070 12.73852 3.20958 -186.23961 1175.64968
180.0000 -198.27509 -185.77428 12.50081 3.22141 -186.01266 1190.70743
185.0000 -198.24738 -188.65470 9.59268 3.13591 -187.65268 1128.77971
190.0000 -198.87073 -187.12387 11.74686 3.16188 -187.15455 1131.18155
195.0000 -200.60862 -187.57841 13.03021 3.15528 -187.28114 1138.35244
200.0000 -201.25383 -187.28216 13.97167 3.13326 -187.70354 1154.48721
205.0000 -197.05948 -184.73136 12.32812 3.14928 -187.39630 1108.58850
210.0000 -200.93736 -187.72946 13.20791 3.21619 -186.11285 1200.10556
215.0000 -201.02279 -185.42830 15.59450 3.18971 -186.62073 1162.74660
220.0000 -198.20483 -185.85745 12.34738 3.28701 -184.75457 1259.91898
225.0000 -200.51951 -188.04367 12.47584 3.22748 -185.89624 1169.02494
230.0000 -198.41421 -187.02766 11.38655 3.11841 -187.98840 1140.12560
235.0000 -198.13895 -186.99073 11.14821 3.18593 -186.69317 1164.24415
240.0000 -198.19377 -186.32331 11.87046 3.18034 -186.80053 1179.40133
245.0000 -198.14175 -185.31013 12.83162 3.20735 -186.28236 1197.37978
250.0000 -200.93874 -188.28034 12.65840 3.25356 -185.39605 1193.71807
FREEZING PROCESS: loop number 2 T-loop= 1166.0000000000000
main_MD> interactions number 2 at Temperature= 1166.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.75014 0.02140 4.34573
force_rgl> df(natom) -1.12826 2.30223 0.72500
255.0000 -200.75872 -189.32229 11.43644 3.10924 -188.16422 1124.17935
260.0000 -196.93851 -184.88921 12.04929 3.11325 -188.08726 1070.13714
265.0000 -198.24907 -186.08475 12.16432 3.25894 -185.29283 1146.26213
270.0000 -197.96967 -186.02911 11.94056 3.17316 -186.93829 1167.10273
275.0000 -201.97555 -187.46440 14.51115 3.15853 -187.21876 1123.45504
280.0000 -200.24704 -188.74689 11.50015 3.11105 -188.12950 1106.80828
285.0000 -198.86755 -187.32145 11.54611 3.10781 -188.19158 1103.95447
290.0000 -199.74103 -187.26233 12.47870 3.13092 -187.74842 1120.65220
295.0000 -200.65983 -187.61261 13.04722 3.18465 -186.71781 1175.11345
300.0000 -201.34492 -188.68369 12.66123 3.10325 -188.27916 1118.04539
305.0000 -201.98449 -189.15004 12.83445 3.02359 -189.80697 1070.82947
310.0000 -200.41106 -188.09975 12.31131 3.03304 -189.62578 1109.80461
315.0000 -199.60160 -187.92624 11.67536 3.11239 -188.10375 1101.90593
320.0000 -198.79341 -184.39591 14.39750 3.19960 -186.43113 1202.79711
325.0000 -197.86000 -185.73255 12.12745 3.26913 -185.09754 1203.85067
330.0000 -197.66974 -185.29749 12.37225 3.25775 -185.31577 1176.37586
335.0000 -198.88200 -184.26695 14.61505 3.25242 -185.41795 1224.11612
340.0000 -197.19144 -182.57490 14.61654 3.31037 -184.30644 1251.88106
345.0000 -196.85992 -182.25891 14.60101 3.40958 -182.40362 1282.95870
350.0000 -197.11390 -184.83571 12.27818 3.28294 -184.83251 1214.18045
355.0000 -198.91102 -185.83043 13.08059 3.25257 -185.41516 1220.48255
360.0000 -199.90691 -185.89563 14.01128 3.14436 -187.49063 1132.34225
365.0000 -198.65405 -185.62045 13.03360 3.16141 -187.16349 1161.38730
370.0000 -199.97673 -186.23823 13.73851 3.18234 -186.76216 1164.60390
375.0000 -197.63688 -185.71437 11.92251 3.24638 -185.53387 1186.11938
380.0000 -198.87333 -184.54644 14.32689 3.23270 -185.79626 1207.33333
385.0000 -198.61752 -186.04610 12.57142 3.23956 -185.66467 1210.48417
390.0000 -197.92501 -183.19237 14.73264 3.29344 -184.63116 1225.79331
395.0000 -196.40720 -183.78646 12.62074 3.37806 -183.00815 1284.80683
400.0000 -197.13272 -185.73189 11.40083 3.25238 -185.41880 1197.73955
405.0000 -197.94554 -185.20110 12.74444 3.23911 -185.67325 1184.44811
410.0000 -199.41563 -186.80601 12.60963 3.19923 -186.43820 1153.14050
415.0000 -200.69691 -188.65576 12.04115 3.12055 -187.94720 1119.18747
420.0000 -202.41696 -190.37541 12.04155 3.02026 -189.87082 1075.12120
425.0000 -200.64291 -189.29201 11.35090 3.06355 -189.04059 1100.05789
430.0000 -200.40047 -187.30015 13.10032 3.08771 -188.57709 1111.23888
435.0000 -202.59321 -189.42330 13.16992 3.16609 -187.07371 1177.94851
440.0000 -197.51749 -186.17967 11.33783 3.10963 -188.15664 1123.52037
445.0000 -196.51682 -185.17023 11.34658 3.26516 -185.17358 1179.28663
450.0000 -198.57466 -184.35210 14.22256 3.25640 -185.34155 1212.05665
455.0000 -199.27605 -184.66632 14.60972 3.23651 -185.72309 1178.10653
460.0000 -198.90007 -186.82993 12.07013 3.20139 -186.39679 1192.47136
465.0000 -199.44544 -186.53928 12.90616 3.25759 -185.31880 1203.70768
470.0000 -197.02306 -181.98696 15.03610 3.36199 -183.31634 1281.53726
475.0000 -197.26403 -185.54620 11.71783 3.36211 -183.31418 1248.73767
480.0000 -198.59982 -186.16565 12.43417 3.20891 -186.25245 1124.60928
485.0000 -198.89115 -185.31694 13.57421 3.19041 -186.60730 1164.79594
490.0000 -201.39904 -186.35664 15.04240 3.18943 -186.62617 1191.51368
495.0000 -200.56737 -186.58438 13.98300 3.16028 -187.18523 1132.90330
500.0000 -200.29600 -188.06172 12.23428 3.17250 -186.95085 1158.20090
FREEZING PROCESS: loop number 3 T-loop= 1141.0000000000000
main_MD> interactions number 3 at Temperature= 1141.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74295 -1.78009 2.11260
force_rgl> df(natom) 3.66188 -3.35381 0.37316
505.0000 -200.34026 -187.72042 12.61984 3.12275 -187.90514 1129.18196
510.0000 -200.44342 -187.11367 13.32975 3.19697 -186.48159 1174.44062
515.0000 -201.42160 -187.95966 13.46194 3.15560 -187.27497 1134.49549
520.0000 -199.46442 -186.50622 12.95820 3.12339 -187.89270 1108.60835
525.0000 -201.21610 -188.49439 12.72172 3.18753 -186.66249 1137.99351
530.0000 -198.92796 -187.14402 11.78394 3.12924 -187.78056 1112.71424
535.0000 -199.40190 -187.90575 11.49615 3.15069 -187.36919 1145.05877
540.0000 -199.65670 -186.36609 13.29062 3.12935 -187.77855 1124.91501
545.0000 -198.46151 -187.33518 11.12634 3.18417 -186.72709 1133.75240
550.0000 -198.57504 -186.26742 12.30762 3.18466 -186.71756 1176.81124
555.0000 -197.82204 -184.29568 13.52636 3.24994 -185.46547 1220.80565
560.0000 -200.04654 -187.46671 12.57984 3.22364 -185.97004 1191.00742
565.0000 -200.12404 -186.56631 13.55774 3.10931 -188.16282 1109.33345
570.0000 -198.87058 -184.54043 14.33015 3.29840 -184.53610 1255.40466
575.0000 -198.59912 -185.71126 12.88786 3.24785 -185.50560 1193.08499
580.0000 -199.53516 -189.07067 10.46448 3.19669 -186.48686 1147.96998
585.0000 -198.96920 -186.74739 12.22181 3.07481 -188.82466 1096.42550
590.0000 -200.52335 -189.55009 10.97326 3.09515 -188.43443 1097.74851
595.0000 -200.23002 -187.27486 12.95517 3.09366 -188.46295 1101.71891
600.0000 -201.78311 -189.77103 12.01208 3.11720 -188.01156 1148.60498
605.0000 -200.86410 -187.18227 13.68182 3.07592 -188.80328 1104.27230
610.0000 -200.04566 -188.65055 11.39511 3.18457 -186.71938 1157.94236
615.0000 -198.01844 -185.59256 12.42588 3.17252 -186.95055 1167.97055
620.0000 -196.52819 -184.27651 12.25168 3.30649 -184.38087 1254.78242
625.0000 -199.86227 -186.86936 12.99291 3.21080 -186.21618 1175.68861
630.0000 -199.20412 -184.88133 14.32279 3.18292 -186.75103 1195.50072
635.0000 -198.76488 -186.20327 12.56162 3.29450 -184.61095 1222.88483
640.0000 -198.71197 -184.51971 14.19226 3.30204 -184.46623 1223.03151
645.0000 -199.25379 -186.21400 13.03979 3.21123 -186.20806 1186.86526
650.0000 -200.42005 -184.30999 16.11006 3.26506 -185.17562 1207.07356
655.0000 -198.49538 -185.87473 12.62066 3.28044 -184.88054 1167.36837
660.0000 -199.17640 -186.45131 12.72509 3.21023 -186.22712 1153.91195
665.0000 -199.51343 -188.35384 11.15959 3.16434 -187.10734 1131.36534
670.0000 -200.78399 -188.84106 11.94293 3.06012 -189.10635 1080.71758
675.0000 -203.02837 -190.12462 12.90374 3.04883 -189.32281 1088.45700
680.0000 -199.80678 -189.21984 10.58695 3.01614 -189.94979 1080.14561
685.0000 -201.99361 -189.73129 12.26231 3.04322 -189.43047 1070.22997
690.0000 -201.08051 -189.29520 11.78531 3.08596 -188.61075 1130.07684
695.0000 -198.83805 -187.98389 10.85416 3.12319 -187.89669 1104.65511
700.0000 -199.76589 -187.77789 11.98800 3.22462 -185.95119 1161.61655
705.0000 -200.34045 -189.12055 11.21989 3.05793 -189.14842 1088.68186
710.0000 -197.90527 -186.27303 11.63224 3.17379 -186.92615 1166.41409
715.0000 -198.84221 -186.78862 12.05358 3.11945 -187.96841 1150.84731
720.0000 -197.97350 -185.07998 12.89352 3.36161 -183.32360 1293.54152
725.0000 -199.69941 -184.09627 15.60313 3.21100 -186.21235 1192.15218
730.0000 -196.55509 -183.12269 13.43240 3.34020 -183.73436 1271.03201
735.0000 -198.44741 -182.27297 16.17444 3.39981 -182.59097 1282.58889
740.0000 -201.40830 -189.58234 11.82595 3.16660 -187.06394 1147.13178
745.0000 -201.78116 -190.12344 11.65771 3.05282 -189.24642 1062.04254
750.0000 -198.48090 -186.91845 11.56245 3.08891 -188.55416 1119.11848
FREEZING PROCESS: loop number 4 T-loop= 1116.0000000000000
main_MD> interactions number 4 at Temperature= 1116.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61788 -1.16202 -2.52884
force_rgl> df(natom) -1.50095 0.79048 -0.75637
755.0000 -199.91533 -186.69541 13.21992 3.15880 -187.21363 1145.44557
760.0000 -197.76735 -185.93660 11.83075 3.12341 -187.89234 1131.67749
765.0000 -197.17095 -184.92168 12.24927 3.21549 -186.12637 1194.20101
770.0000 -199.67602 -187.01366 12.66236 3.21306 -186.17289 1175.29303
775.0000 -199.22604 -188.16936 11.05667 3.14551 -187.46851 1140.36118
780.0000 -200.71314 -188.59780 12.11535 3.07101 -188.89742 1095.19307
785.0000 -200.25105 -186.63730 13.61376 3.09196 -188.49571 1100.43402
790.0000 -200.61170 -188.53385 12.07785 3.11015 -188.14671 1093.24332
795.0000 -198.77261 -185.58301 13.18960 3.14721 -187.43584 1144.54799
800.0000 -197.60225 -183.73938 13.86287 3.25707 -185.32870 1215.53881
805.0000 -198.91957 -184.64964 14.26993 3.25435 -185.38101 1220.48273
810.0000 -195.51715 -182.34167 13.17548 3.38008 -182.96951 1325.14063
815.0000 -196.55644 -183.94412 12.61232 3.41161 -182.36472 1319.80531
820.0000 -201.64481 -189.40383 12.24097 3.14004 -187.57335 1132.28729
825.0000 -203.10918 -190.82386 12.28532 2.98573 -190.53313 1018.63005
830.0000 -201.58879 -188.19121 13.39758 3.01824 -189.90961 1040.27932
835.0000 -199.88408 -188.00467 11.87941 3.12959 -187.77397 1129.61841
840.0000 -197.60036 -186.35257 11.24779 3.15313 -187.32246 1130.44480
845.0000 -196.51999 -184.39416 12.12582 3.22857 -185.87544 1160.50658
850.0000 -200.47711 -186.54719 13.92992 3.25217 -185.42284 1227.31350
855.0000 -198.30376 -185.61462 12.68914 3.28644 -184.76547 1245.43252
860.0000 -200.69372 -189.05915 11.63457 3.14551 -187.46856 1144.01339
865.0000 -199.16600 -188.16063 11.00537 3.11690 -188.01737 1118.66784
870.0000 -201.60828 -189.17255 12.43573 3.10859 -188.17675 1096.64059
875.0000 -201.82547 -190.01272 11.81276 3.05218 -189.25856 1077.83716
880.0000 -200.84945 -188.31787 12.53157 3.04744 -189.34950 1096.84381
885.0000 -202.31717 -190.40460 11.91258 3.06106 -189.08832 1110.51145
890.0000 -202.14424 -190.54085 11.60339 2.99564 -190.34303 1038.11977
895.0000 -201.45894 -190.48503 10.97391 2.96226 -190.98331 1024.24910
900.0000 -202.23145 -189.22033 13.01113 2.96634 -190.90495 1033.63417
905.0000 -199.06821 -186.81241 12.25580 3.13842 -187.60455 1141.84956
910.0000 -199.72499 -188.31233 11.41267 3.10010 -188.33959 1109.82257
915.0000 -200.64139 -186.98144 13.65994 3.16661 -187.06377 1160.29244
920.0000 -199.92290 -187.10090 12.82200 3.16754 -187.04604 1156.48457
925.0000 -201.86232 -189.33948 12.52284 3.06115 -189.08654 1064.03535
930.0000 -199.29815 -187.80784 11.49031 3.10716 -188.20400 1115.79595
935.0000 -202.37822 -189.80179 12.57642 3.12537 -187.85477 1101.22386
940.0000 -199.93604 -188.43012 11.50592 2.95612 -191.10097 1023.33127
945.0000 -200.49465 -188.05870 12.43595 3.07622 -188.79758 1084.01962
950.0000 -199.07003 -187.69711 11.37292 3.07741 -188.77472 1070.29934
955.0000 -197.82459 -187.17435 10.65023 3.13812 -187.61019 1136.41718
960.0000 -198.61094 -188.20244 10.40850 3.13616 -187.64781 1138.67618
965.0000 -202.74794 -189.56024 13.18771 3.06880 -188.93990 1083.91058
970.0000 -200.41489 -188.31562 12.09927 3.06802 -188.95483 1081.57054
975.0000 -198.29554 -185.76653 12.52901 3.12759 -187.81230 1115.44712
980.0000 -199.90920 -188.22322 11.68598 3.14895 -187.40248 1113.05897
985.0000 -199.56996 -183.41280 16.15716 3.25229 -185.42047 1208.31186
990.0000 -195.58470 -180.62201 14.96269 3.41998 -182.20417 1323.12582
995.0000 -198.76407 -185.70232 13.06175 3.28037 -184.88183 1248.67906
1000.0000 -198.83097 -187.75961 11.07136 3.18495 -186.71206 1129.37520
FREEZING PROCESS: loop number 5 T-loop= 1091.0000000000000
main_MD> interactions number 5 at Temperature= 1091.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.71741 -4.74985 -4.87213
force_rgl> df(natom) -4.27208 6.44631 6.34252
1005.0000 -200.54495 -188.41249 12.13246 3.15119 -187.35963 1133.04980
1010.0000 -199.39985 -188.03731 11.36254 3.14397 -187.49812 1122.28237
1015.0000 -198.13353 -187.04036 11.09317 3.11360 -188.08054 1131.49346
1020.0000 -198.84034 -186.09788 12.74246 3.18707 -186.67147 1162.45671
1025.0000 -199.34406 -187.27626 12.06780 3.13937 -187.58634 1133.43787
1030.0000 -200.19727 -188.02127 12.17600 3.11370 -188.07858 1133.41304
1035.0000 -201.12557 -188.53303 12.59254 3.09446 -188.44771 1131.15270
1040.0000 -200.36963 -188.33613 12.03350 3.14411 -187.49542 1151.87404
1045.0000 -198.36098 -188.10619 10.25478 3.12070 -187.94434 1118.12369
1050.0000 -200.69183 -188.40561 12.28622 3.12417 -187.87775 1113.61561
1055.0000 -199.43799 -188.18515 11.25284 3.03670 -189.55549 1080.37688
1060.0000 -199.60275 -187.70644 11.89631 3.06510 -189.01088 1084.64334
1065.0000 -200.36593 -190.79551 9.57042 3.03069 -189.67071 1053.91188
1070.0000 -198.25379 -186.89035 11.36344 3.07488 -188.82329 1075.59983
1075.0000 -198.94305 -187.20396 11.73909 3.18441 -186.72245 1170.57697
1080.0000 -198.34428 -188.06653 10.27775 3.11782 -187.99968 1112.95143
1085.0000 -198.20381 -186.31387 11.88993 3.14104 -187.55428 1135.67836
1090.0000 -200.71816 -188.85274 11.86541 3.15767 -187.23523 1148.26854
1095.0000 -200.56846 -188.29691 12.27154 3.10797 -188.18854 1140.09837
1100.0000 -201.80337 -190.95442 10.84895 3.02229 -189.83182 1066.38301
1105.0000 -199.18943 -187.73765 11.45178 3.04980 -189.30421 1064.37050
1110.0000 -202.29294 -189.55592 12.73703 3.10033 -188.33505 1142.70828
1115.0000 -203.24408 -191.59247 11.65161 2.99646 -190.32725 1062.14993
1120.0000 -199.46129 -186.94362 12.51767 3.02425 -189.79439 1033.69611
1125.0000 -203.19100 -190.50758 12.68343 3.05250 -189.25242 1081.89660
1130.0000 -200.14190 -189.07002 11.07188 2.98858 -190.47841 1049.32787
1135.0000 -199.60407 -187.85758 11.74650 3.12199 -187.91960 1135.41712
1140.0000 -201.83697 -190.31016 11.52681 2.97996 -190.64380 1037.72916
1145.0000 -203.26790 -192.48460 10.78330 2.95538 -191.11522 1025.35776
1150.0000 -200.15120 -188.02881 12.12239 3.00667 -190.13146 1038.05644
1155.0000 -202.22853 -191.24729 10.98124 3.01385 -189.99384 1028.63155
1160.0000 -200.49558 -188.55203 11.94355 2.98582 -190.53133 1039.77234
1165.0000 -198.71108 -187.08226 11.62882 3.08810 -188.56957 1095.52656
1170.0000 -201.35937 -189.76968 11.58969 3.09067 -188.52029 1117.75199
1175.0000 -199.29455 -186.40491 12.88964 3.11397 -188.07344 1138.16695
1180.0000 -199.42007 -186.99992 12.42015 3.19635 -186.49335 1174.76136
1185.0000 -201.98375 -190.50343 11.48033 3.07943 -188.73589 1091.87809
1190.0000 -201.95740 -190.47733 11.48007 2.99683 -190.32015 1039.32168
1195.0000 -204.23871 -194.93408 9.30462 2.88669 -192.43270 971.10398
1200.0000 -199.67602 -188.45928 11.21674 2.91556 -191.87904 958.44469
1205.0000 -199.53091 -188.21331 11.31760 3.11893 -187.97837 1119.86253
1210.0000 -199.71321 -187.48132 12.23189 3.11994 -187.95887 1127.98855
1215.0000 -202.33714 -190.35780 11.97934 3.08874 -188.55745 1081.08858
1220.0000 -201.74689 -189.36325 12.38364 3.06480 -189.01649 1086.12205
1225.0000 -202.10076 -189.98591 12.11485 3.03105 -189.66383 1065.09407
1230.0000 -199.30808 -187.94500 11.36308 3.03007 -189.68263 1062.05385
1235.0000 -198.76131 -185.78993 12.97138 3.17043 -186.99060 1158.68978
1240.0000 -200.66752 -189.54509 11.12244 3.12271 -187.90592 1075.69683
1245.0000 -201.69041 -189.83195 11.85846 3.05494 -189.20564 1050.89937
1250.0000 -203.01642 -192.48238 10.53404 2.94309 -191.35090 1013.99672
FREEZING PROCESS: loop number 6 T-loop= 1066.0000000000000
main_MD> interactions number 6 at Temperature= 1066.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94190 -1.69726 1.33070
force_rgl> df(natom) -3.85652 -3.28673 -0.73870
1255.0000 -200.79846 -190.24911 10.54935 2.90171 -192.14475 943.03168
1260.0000 -200.15318 -188.89686 11.25632 3.06514 -189.00998 1043.74276
1265.0000 -202.08628 -191.25916 10.82712 3.02266 -189.82488 1070.18611
1270.0000 -200.92154 -190.08982 10.83172 2.91954 -191.80262 1012.69000
1275.0000 -200.47620 -190.34516 10.13103 2.96487 -190.93315 1051.82610
1280.0000 -200.78563 -188.62099 12.16464 3.04913 -189.31710 1064.20248
1285.0000 -201.12642 -189.82649 11.29993 3.04033 -189.48599 1081.26597
1290.0000 -202.00201 -190.78771 11.21430 2.98235 -190.59789 1032.36597
1295.0000 -200.58476 -187.50501 13.07975 3.06798 -188.95553 1049.22541
1300.0000 -200.68367 -188.19037 12.49329 3.11421 -188.06895 1125.38563
1305.0000 -201.57731 -187.34758 14.22973 3.14018 -187.57081 1122.80941
1310.0000 -201.33182 -188.03158 13.30024 3.13936 -187.58654 1149.23937
1315.0000 -198.40010 -188.08868 10.31142 3.10255 -188.29255 1093.80181
1320.0000 -198.65498 -188.63415 10.02083 3.11757 -188.00442 1087.12655
1325.0000 -201.25937 -189.80905 11.45032 3.07605 -188.80078 1074.00758
1330.0000 -199.72269 -186.06627 13.65642 3.09677 -188.40343 1080.11232
1335.0000 -200.94663 -188.56866 12.37797 3.15382 -187.30921 1149.52666
1340.0000 -201.29678 -188.21641 13.08037 3.07801 -188.76323 1107.09665
1345.0000 -200.34099 -189.51220 10.82879 3.07959 -188.73292 1120.45618
1350.0000 -201.74876 -187.82293 13.92583 3.08346 -188.65861 1104.35464
1355.0000 -202.72383 -192.12419 10.59964 2.95250 -191.17053 1015.23845
1360.0000 -201.03106 -190.06411 10.96695 2.94604 -191.29449 995.84739
1365.0000 -199.96738 -187.51741 12.44997 3.07117 -188.89432 1101.27858
1370.0000 -200.76912 -189.56164 11.20748 3.03772 -189.53590 1078.25305
1375.0000 -202.11881 -189.80228 12.31654 3.02518 -189.77655 1038.03449
1380.0000 -201.88906 -189.36647 12.52260 3.06402 -189.03150 1102.54434
1385.0000 -204.41016 -192.63106 11.77910 3.02367 -189.80547 1076.95917
1390.0000 -201.29427 -190.08124 11.21302 2.90014 -192.17475 978.09240
1395.0000 -201.19062 -190.07415 11.11647 3.00100 -190.24033 1072.45809
1400.0000 -201.74710 -189.01621 12.73089 3.00374 -190.18778 1031.35931
1405.0000 -199.14639 -186.54058 12.60581 3.07122 -188.89334 1077.66413
1410.0000 -201.74515 -190.98338 10.76177 3.04879 -189.32355 1099.24443
1415.0000 -203.20257 -192.48879 10.71378 2.93018 -191.59867 1008.58933
1420.0000 -202.06416 -191.28763 10.77653 2.90548 -192.07242 1007.65409
1425.0000 -202.80700 -192.14917 10.65783 2.90276 -192.12446 1010.42067
1430.0000 -202.87980 -189.98153 12.89827 2.94456 -191.32274 1037.58100
1435.0000 -198.96687 -187.93487 11.03200 3.03105 -189.66390 1079.67472
1440.0000 -201.60546 -190.55564 11.04981 3.02549 -189.77056 1050.81858
1445.0000 -200.22938 -190.42405 9.80533 2.99179 -190.41690 1030.05601
1450.0000 -200.49583 -187.14545 13.35038 3.05882 -189.13117 1064.00193
1455.0000 -201.76661 -188.54002 13.22659 3.11399 -188.07311 1126.78449
1460.0000 -202.36712 -190.16888 12.19824 3.04218 -189.45039 1090.54202
1465.0000 -201.43835 -189.25131 12.18704 3.04331 -189.42868 1064.36303
1470.0000 -203.56523 -192.40453 11.16069 2.95099 -191.19941 1026.86109
1475.0000 -202.59421 -191.44037 11.15384 2.93940 -191.42169 1004.98947
1480.0000 -200.26758 -189.48164 10.78594 2.95686 -191.08694 1024.69960
1485.0000 -200.71124 -189.93249 10.77875 3.02230 -189.83178 1023.39473
1490.0000 -200.56942 -189.09971 11.46971 3.01296 -190.01088 1056.57496
1495.0000 -201.60708 -188.55657 13.05050 3.07128 -188.89227 1099.40249
1500.0000 -200.61892 -188.41233 12.20659 3.14830 -187.41493 1123.04737
FREEZING PROCESS: loop number 7 T-loop= 1041.0000000000000
main_MD> interactions number 7 at Temperature= 1041.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.94554 0.19957 1.43780
force_rgl> df(natom) 1.73464 2.54850 -4.22881
1505.0000 -203.01636 -190.33109 12.68528 3.05141 -189.27336 1077.83423
1510.0000 -200.84357 -189.35638 11.48719 3.04989 -189.30256 1077.80438
1515.0000 -202.48319 -190.67486 11.80833 3.00789 -190.10813 1051.32060
1520.0000 -203.02175 -190.19231 12.82944 2.98303 -190.58491 1051.82118
1525.0000 -203.61689 -193.19608 10.42081 2.89880 -192.20041 987.90369
1530.0000 -203.61472 -190.82383 12.79089 2.93078 -191.58717 967.51072
1535.0000 -200.57956 -188.48409 12.09547 2.99269 -190.39961 1031.86494
1540.0000 -200.33054 -187.95305 12.37749 3.17685 -186.86748 1160.24530
1545.0000 -204.69641 -191.31449 13.38192 3.01495 -189.97265 1073.02416
1550.0000 -202.79760 -192.19186 10.60574 2.95695 -191.08522 1022.83545
1555.0000 -200.91129 -189.59331 11.31798 2.94430 -191.32784 977.83879
1560.0000 -201.57723 -190.58528 10.99195 2.98040 -190.63535 1035.15641
1565.0000 -201.67036 -191.02131 10.64905 2.98047 -190.63410 1030.13192
1570.0000 -201.30983 -190.94859 10.36124 2.98261 -190.59289 1052.00311
1575.0000 -202.19060 -190.97103 11.21957 2.98292 -190.58708 1033.46663
1580.0000 -200.68835 -189.51778 11.17057 3.01262 -190.01733 1044.65438
1585.0000 -201.57704 -189.95678 11.62026 2.98468 -190.55330 1028.76686
1590.0000 -201.39638 -188.84682 12.54956 3.01897 -189.89555 1065.00593
1595.0000 -201.24910 -190.62138 10.62772 2.96833 -190.86684 1013.34492
1600.0000 -200.58518 -190.80226 9.78292 3.00732 -190.11899 1063.88780
1605.0000 -202.34371 -192.64492 9.69879 2.91865 -191.81965 986.40581
1610.0000 -202.99150 -190.96148 12.03001 2.91910 -191.81114 1002.97390
1615.0000 -202.79322 -192.98646 9.80676 2.87160 -192.72222 985.96489
1620.0000 -204.10177 -192.52014 11.58163 2.92514 -191.69528 998.09489
1625.0000 -203.27455 -193.81840 9.45615 2.85037 -193.12930 939.73008
1630.0000 -201.29450 -189.30018 11.99432 2.96347 -190.96010 1018.98881
1635.0000 -201.19887 -191.04347 10.15540 2.99205 -190.41184 1041.28388
1640.0000 -200.15186 -190.09874 10.05312 2.97027 -190.82969 987.82493
1645.0000 -203.89052 -193.25825 10.63228 2.91021 -191.98169 1009.48484
1650.0000 -201.17019 -189.74545 11.42474 2.92403 -191.71661 1004.78277
1655.0000 -201.44284 -190.21419 11.22865 2.99136 -190.42520 1024.05786
1660.0000 -202.07607 -190.56504 11.51104 3.01363 -189.99808 1056.55687
1665.0000 -203.33369 -190.77643 12.55726 2.96851 -190.86333 1022.33034
1670.0000 -200.85972 -190.33827 10.52144 2.97832 -190.67522 1033.18589
1675.0000 -203.08737 -193.05803 10.02934 2.95987 -191.02919 1007.62526
1680.0000 -201.03801 -191.04794 9.99008 2.91177 -191.95179 977.26894
1685.0000 -202.18876 -191.82352 10.36524 2.98547 -190.53822 1047.64910
1690.0000 -201.98586 -191.66897 10.31689 2.92230 -191.74974 990.65359
1695.0000 -200.99099 -189.41574 11.57525 2.98812 -190.48734 1023.96754
1700.0000 -202.02148 -189.38302 12.63846 3.06349 -189.04165 1113.91109
1705.0000 -200.45836 -187.36175 13.09661 3.11912 -187.97463 1103.56478
1710.0000 -199.43611 -187.03832 12.39780 3.19088 -186.59833 1134.20696
1715.0000 -202.02726 -190.21914 11.80813 3.12298 -187.90067 1129.89448
1720.0000 -200.45650 -189.54005 10.91646 2.96481 -190.93435 1013.81281
1725.0000 -202.06033 -190.74504 11.31530 3.02273 -189.82349 1061.81178
1730.0000 -202.47593 -188.61059 13.86534 3.03284 -189.62952 1099.42506
1735.0000 -200.28346 -188.45617 11.82729 3.10323 -188.27952 1106.11547
1740.0000 -200.78748 -188.32419 12.46329 3.14262 -187.52398 1126.74503
1745.0000 -202.54898 -191.67315 10.87583 2.97972 -190.64848 1045.72447
1750.0000 -201.08336 -189.62001 11.46335 2.94519 -191.31067 1027.88886
FREEZING PROCESS: loop number 8 T-loop= 1016.0000000000000
main_MD> interactions number 8 at Temperature= 1016.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.95853 2.31026 -0.51400
force_rgl> df(natom) 3.70011 0.22780 -0.81892
1755.0000 -201.24481 -190.44906 10.79575 2.99886 -190.28132 1076.98077
1760.0000 -203.28574 -192.35869 10.92706 2.94973 -191.22356 1000.69213
1765.0000 -201.85358 -189.70841 12.14518 2.88221 -192.51871 993.76394
1770.0000 -203.13432 -191.79556 11.33875 2.91865 -191.81973 986.15057
1775.0000 -200.84070 -192.51442 8.32628 2.88496 -192.46599 962.38375
1780.0000 -201.89294 -190.32648 11.56645 2.91505 -191.88882 990.22646
1785.0000 -201.72315 -190.23365 11.48950 2.96999 -190.83504 1020.33278
1790.0000 -202.20402 -190.09015 12.11387 2.97628 -190.71435 1016.64697
1795.0000 -203.32318 -192.36488 10.95830 2.92619 -191.67512 1017.80257
1800.0000 -202.99257 -192.67394 10.31863 2.90499 -192.08184 960.85595
1805.0000 -203.63808 -192.04329 11.59478 2.87257 -192.70362 985.62255
1810.0000 -202.37804 -192.18231 10.19574 2.91001 -191.98555 1017.09689
1815.0000 -203.89866 -192.32488 11.57378 2.88088 -192.54412 987.23403
1820.0000 -202.93195 -192.14772 10.78423 2.94725 -191.27128 1025.70300
1825.0000 -202.25452 -191.16513 11.08939 2.91907 -191.81159 1001.78650
1830.0000 -203.54978 -192.70324 10.84654 2.94001 -191.41008 1029.07772
1835.0000 -203.02088 -192.75001 10.27086 2.87383 -192.67943 980.72804
1840.0000 -202.28985 -192.66097 9.62888 2.83028 -193.51471 968.39806
1845.0000 -202.04844 -191.29302 10.75542 2.91093 -191.96787 971.90169
1850.0000 -202.22353 -190.48256 11.74097 2.91348 -191.91897 994.79289
1855.0000 -201.22998 -190.33663 10.89335 3.05278 -189.24717 1080.39888
1860.0000 -201.30639 -190.77140 10.53499 2.94055 -191.39978 996.27225
1865.0000 -203.77644 -194.27084 9.50560 2.90337 -192.11281 977.88070
1870.0000 -202.16702 -191.42745 10.73957 2.87105 -192.73282 976.02161
1875.0000 -202.14155 -190.22195 11.91960 2.91453 -191.89872 1022.60350
1880.0000 -201.66568 -189.78876 11.87692 3.06542 -189.00473 1073.87031
1885.0000 -201.87857 -190.95316 10.92541 2.96252 -190.97831 1031.97330
1890.0000 -203.12978 -189.89753 13.23225 2.97614 -190.71701 1035.35669
1895.0000 -198.73912 -189.21065 9.52846 3.02127 -189.85148 1073.67450
1900.0000 -202.10235 -191.18142 10.92094 3.06093 -189.09080 1105.07193
1905.0000 -201.68209 -190.05482 11.62727 3.03929 -189.50585 1065.61333
1910.0000 -203.05943 -193.32217 9.73726 2.92363 -191.72426 997.28473
1915.0000 -204.35558 -193.31682 11.03876 2.86000 -192.94472 955.26228
1920.0000 -200.20765 -189.30073 10.90692 2.88834 -192.40117 974.22578
1925.0000 -201.44893 -188.77201 12.67692 3.05277 -189.24731 1084.83842
1930.0000 -200.97135 -190.66258 10.30876 3.00032 -190.25322 1063.34518
1935.0000 -205.01748 -193.02937 11.98811 2.96164 -190.99516 1039.25469
1940.0000 -203.15593 -192.30000 10.85592 2.89508 -192.27173 975.00668
1945.0000 -202.71725 -192.49756 10.21968 2.89087 -192.35266 1003.97473
1950.0000 -201.79936 -192.64811 9.15125 2.88567 -192.45226 994.22330
1955.0000 -202.01450 -191.53244 10.48206 2.89722 -192.23086 988.98426
1960.0000 -204.08776 -191.96321 12.12455 2.94327 -191.34761 1032.64687
1965.0000 -202.93883 -192.07405 10.86478 2.88563 -192.45316 986.07575
1970.0000 -203.43938 -193.68835 9.75103 2.89050 -192.35959 973.07105
1975.0000 -202.33919 -192.10940 10.22980 2.87646 -192.62898 945.45702
1980.0000 -201.79621 -190.61493 11.18128 2.88756 -192.41608 962.16382
1985.0000 -200.56391 -188.72761 11.83629 2.97883 -190.66546 994.12727
1990.0000 -199.01057 -186.67308 12.33749 3.11793 -187.99747 1116.85605
1995.0000 -199.09423 -186.48932 12.60492 3.17920 -186.82229 1144.41958
2000.0000 -200.94678 -189.47633 11.47045 3.11231 -188.10527 1092.95686
FREEZING PROCESS: loop number 9 T-loop= 991.00000000000000
main_MD> interactions number 9 at Temperature= 991.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40070 2.17783 -0.61079
force_rgl> df(natom) 4.66936 0.75722 -9.14252
2005.0000 -201.56625 -190.62731 10.93894 2.99689 -190.31900 1036.85260
2010.0000 -203.51780 -192.54295 10.97485 2.99022 -190.44710 1027.31557
2015.0000 -203.07294 -191.70249 11.37045 2.90298 -192.12024 995.79207
2020.0000 -203.09577 -192.03002 11.06574 2.92043 -191.78565 1000.95632
2025.0000 -202.29375 -190.24136 12.05239 2.92479 -191.70189 994.85668
2030.0000 -202.22267 -192.20629 10.01638 2.89987 -192.17994 977.90740
2035.0000 -203.16706 -192.94230 10.22476 2.86907 -192.77067 961.43220
2040.0000 -202.51661 -191.36631 11.15030 2.91910 -191.81105 1001.43380
2045.0000 -202.12433 -188.50604 13.61829 2.98635 -190.52134 1057.07495
2050.0000 -203.01679 -191.49983 11.51696 3.01556 -189.96100 1061.60630
2055.0000 -203.21823 -192.67961 10.53862 2.86477 -192.85319 975.78779
2060.0000 -205.60920 -195.76400 9.84520 2.76658 -194.73640 905.09253
2065.0000 -205.50672 -192.70582 12.80090 2.79384 -194.21358 942.79729
2070.0000 -202.18774 -193.53001 8.65773 2.86271 -192.89269 954.10711
2075.0000 -202.50531 -192.77907 9.72625 2.88816 -192.40451 961.91226
2080.0000 -203.65473 -193.86314 9.79158 2.85501 -193.04040 942.14907
2085.0000 -202.61365 -192.22616 10.38749 2.84132 -193.30297 922.04148
2090.0000 -202.33816 -192.04441 10.29376 2.91156 -191.95565 1012.39308
2095.0000 -202.47979 -191.35510 11.12470 2.89716 -192.23183 982.86180
2100.0000 -201.60270 -191.36579 10.23692 2.95169 -191.18611 988.54694
2105.0000 -203.20914 -192.30229 10.90685 2.92839 -191.63295 988.18154
2110.0000 -202.75544 -191.69685 11.05859 2.94968 -191.22463 1026.52026
2115.0000 -201.04046 -191.56761 9.47284 2.89939 -192.18911 993.62093
2120.0000 -201.64692 -190.14281 11.50412 3.00045 -190.25078 1059.35447
2125.0000 -202.67056 -190.92608 11.74448 2.99547 -190.34625 1055.50793
2130.0000 -202.88695 -191.45427 11.43269 2.92655 -191.66814 1011.48933
2135.0000 -204.31251 -193.78522 10.52729 2.81975 -193.71662 941.03590
2140.0000 -200.50940 -190.35293 10.15647 2.89665 -192.24175 986.27822
2145.0000 -201.50403 -190.17743 11.32661 2.99754 -190.30670 1060.61813
2150.0000 -204.68822 -194.90207 9.78615 2.86847 -192.78212 938.86328
2155.0000 -202.74869 -191.75308 10.99561 2.83906 -193.34624 961.17798
2160.0000 -203.63311 -193.86986 9.76325 2.90857 -192.01304 982.63417
2165.0000 -201.69380 -193.50012 8.19368 2.79577 -194.17659 929.02462
2170.0000 -202.92750 -191.07611 11.85139 2.85867 -192.97018 947.35869
2175.0000 -203.49128 -192.74810 10.74318 2.89604 -192.25339 994.37653
2180.0000 -202.83285 -193.93648 8.89636 2.78738 -194.33752 915.73840
2185.0000 -202.10513 -191.16949 10.93564 2.87863 -192.58733 940.34221
2190.0000 -202.91804 -191.24730 11.67075 2.98629 -190.52240 1030.59916
2195.0000 -203.62470 -192.86033 10.76438 2.90673 -192.04843 1009.68407
2200.0000 -202.71713 -190.50450 12.21263 2.87504 -192.65616 973.33859
2205.0000 -201.68306 -191.95035 9.73272 2.91565 -191.87723 1013.99456
2210.0000 -204.76029 -192.14548 12.61481 2.91333 -191.92171 996.89338
2215.0000 -202.74411 -192.79943 9.94468 2.85017 -193.13325 959.91849
2220.0000 -202.83759 -193.01174 9.82585 2.85715 -192.99934 930.52901
2225.0000 -203.47862 -193.11840 10.36022 2.82766 -193.56498 912.28651
2230.0000 -204.75704 -194.21688 10.54016 2.85407 -193.05845 925.34996
2235.0000 -204.06436 -193.61467 10.44969 2.87594 -192.63898 1001.48566
2240.0000 -204.84045 -194.28230 10.55815 2.79583 -194.17552 922.90003
2245.0000 -204.93467 -193.80273 11.13194 2.83423 -193.43895 936.68185
2250.0000 -202.11505 -191.92034 10.19470 2.87360 -192.68381 978.89380
FREEZING PROCESS: loop number 10 T-loop= 966.00000000000000
main_MD> interactions number 10 at Temperature= 966.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.40335 -1.21562 -1.49925
force_rgl> df(natom) 0.86915 -0.70608 -0.14563
2255.0000 -201.65641 -190.46997 11.18643 2.97642 -190.71170 1040.83880
2260.0000 -200.27962 -188.04392 12.23570 3.03625 -189.56425 1048.06481
2265.0000 -201.99227 -190.37491 11.61736 2.99290 -190.39553 1050.58582
2270.0000 -203.65152 -192.33896 11.31256 2.93430 -191.51963 1001.29292
2275.0000 -204.83704 -194.37728 10.45976 2.87821 -192.59547 991.75935
2280.0000 -204.37648 -192.54803 11.82845 2.83933 -193.34105 952.48904
2285.0000 -203.53491 -193.98463 9.55028 2.81422 -193.82276 930.18987
2290.0000 -203.28701 -193.46142 9.82559 2.75457 -194.96677 885.33303
2295.0000 -204.03557 -192.81869 11.21688 2.91339 -191.92054 996.78612
2300.0000 -202.74313 -192.36540 10.37773 2.82681 -193.58133 926.19740
2305.0000 -203.92120 -194.44544 9.47576 2.82653 -193.58667 922.16370
2310.0000 -203.44545 -193.33440 10.11105 2.79764 -194.14068 909.79543
2315.0000 -203.01021 -191.50608 11.50412 2.87240 -192.70685 975.60075
2320.0000 -202.98602 -191.40515 11.58087 2.93225 -191.55893 1009.62995
2325.0000 -203.50338 -193.08012 10.42326 2.89455 -192.28203 973.01983
2330.0000 -203.65338 -194.66848 8.98490 2.84512 -193.23009 965.43266
2335.0000 -203.91395 -193.08753 10.82642 2.77904 -194.49757 907.51084
2340.0000 -203.59192 -192.35714 11.23478 2.83255 -193.47120 930.64600
2345.0000 -205.16554 -193.76868 11.39687 2.85017 -193.13317 954.75654
2350.0000 -204.59651 -194.48982 10.10669 2.78445 -194.39364 921.29231
2355.0000 -204.02003 -192.79263 11.22740 2.79866 -194.12121 945.34920
2360.0000 -203.00388 -192.54700 10.45687 2.87576 -192.64239 986.26266
2365.0000 -201.90749 -191.37679 10.53070 2.86128 -192.92015 954.73251
2370.0000 -201.04764 -189.60151 11.44612 3.03305 -189.62549 1071.78460
2375.0000 -203.11580 -191.58687 11.52893 2.99177 -190.41730 1039.65592
2380.0000 -205.57022 -194.84490 10.72533 2.82724 -193.57307 957.37679
2385.0000 -206.92928 -196.20815 10.72113 2.71012 -195.81942 875.44099
2390.0000 -206.37511 -194.93956 11.43556 2.67996 -196.39777 849.98000
2395.0000 -203.11586 -194.09525 9.02061 2.77097 -194.65225 900.82154
2400.0000 -202.62784 -192.28697 10.34087 2.85920 -192.96006 948.72145
2405.0000 -201.49079 -190.49842 10.99237 2.94717 -191.27280 993.78334
2410.0000 -203.31643 -191.77888 11.53755 2.99201 -190.41261 1066.86541
2415.0000 -203.79386 -194.03729 9.75657 2.84575 -193.21804 941.48450
2420.0000 -205.47135 -196.33818 9.13317 2.78657 -194.35298 923.85992
2425.0000 -202.31019 -191.29793 11.01226 2.79586 -194.17494 919.53987
2430.0000 -202.84855 -192.99576 9.85279 2.83466 -193.43075 944.73108
2435.0000 -203.43687 -193.73939 9.69748 2.80843 -193.93375 920.48591
2440.0000 -204.78134 -195.50130 9.28004 2.82492 -193.61743 944.41878
2445.0000 -204.50868 -192.22994 12.27874 2.83575 -193.40980 952.82232
2450.0000 -203.84285 -194.53180 9.31105 2.87374 -192.68107 967.58105
2455.0000 -204.31471 -194.49669 9.81802 2.76705 -194.72741 895.08469
2460.0000 -203.67469 -193.59759 10.07710 2.86781 -192.79482 936.18978
2465.0000 -202.39339 -191.43729 10.95610 2.90823 -192.01963 990.60455
2470.0000 -205.09054 -193.44096 11.64958 2.89460 -192.28094 977.94028
2475.0000 -205.37621 -193.58927 11.78694 2.80136 -194.06943 930.47665
2480.0000 -201.73376 -191.07010 10.66365 2.88245 -192.51403 960.82209
2485.0000 -203.54624 -192.41748 11.12876 2.94513 -191.31189 1014.99249
2490.0000 -203.59132 -192.96273 10.62859 2.88001 -192.56083 978.05464
2495.0000 -203.57522 -192.23091 11.34431 2.90413 -192.09827 1012.21100
2500.0000 -202.38553 -193.68114 8.70438 2.86006 -192.94355 953.53453
FREEZING PROCESS: loop number 11 T-loop= 941.00000000000000
main_MD> interactions number 11 at Temperature= 941.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.78545 4.00803 4.33427
force_rgl> df(natom) 0.93790 -1.50620 1.90704
2505.0000 -203.66309 -192.98388 10.67921 2.79707 -194.15160 912.81340
2510.0000 -202.39575 -192.74286 9.65289 2.83969 -193.33412 948.55424
2515.0000 -202.89328 -191.58827 11.30501 2.86213 -192.90382 949.54561
2520.0000 -203.77046 -194.76346 9.00700 2.88270 -192.50919 982.19787
2525.0000 -202.00867 -192.98659 9.02208 2.82888 -193.54160 926.58375
2530.0000 -203.05964 -192.45402 10.60562 2.91676 -191.85598 1010.20482
2535.0000 -204.41724 -193.01784 11.39939 2.85900 -192.96375 978.12285
2540.0000 -205.46215 -195.24307 10.21907 2.78659 -194.35271 914.39938
2545.0000 -202.77508 -193.70530 9.06978 2.80990 -193.90569 944.02360
2550.0000 -204.97374 -193.48641 11.48733 2.86068 -192.93162 960.21594
2555.0000 -206.01993 -195.53290 10.48703 2.74188 -195.21025 903.76073
2560.0000 -203.62570 -194.91344 8.71226 2.72830 -195.47072 879.25836
2565.0000 -203.20896 -193.42781 9.78115 2.83646 -193.39611 951.45949
2570.0000 -202.68722 -192.47867 10.20855 2.84708 -193.19252 973.47242
2575.0000 -204.03915 -193.93608 10.10307 2.86524 -192.84422 962.96301
2580.0000 -204.04293 -195.34725 8.69568 2.78351 -194.41171 905.24640
2585.0000 -204.09677 -192.42493 11.67184 2.81232 -193.85923 930.18707
2590.0000 -204.60527 -193.70272 10.90256 2.88987 -192.37166 970.27002
2595.0000 -202.99981 -190.65531 12.34450 2.91904 -191.81224 996.08232
2600.0000 -202.06856 -193.29694 8.77162 2.86583 -192.83279 949.40432
2605.0000 -201.97739 -191.66814 10.30925 2.89238 -192.32362 969.46549
2610.0000 -203.05475 -191.16831 11.88644 2.87365 -192.68288 955.76549
2615.0000 -203.49547 -191.79025 11.70522 2.92435 -191.71045 986.36046
2620.0000 -202.32785 -192.59973 9.72813 2.87496 -192.65766 977.57453
2625.0000 -206.03972 -196.82756 9.21215 2.75178 -195.02043 872.13215
2630.0000 -204.70765 -195.39053 9.31712 2.68488 -196.30347 852.31220
2635.0000 -202.17621 -192.72717 9.44904 2.81512 -193.80556 945.86010
2640.0000 -201.46120 -191.44710 10.01410 2.90244 -192.13058 974.61846
2645.0000 -203.41137 -192.64788 10.76350 2.86234 -192.89985 956.37700
2650.0000 -205.01129 -195.75878 9.25251 2.80267 -194.04429 920.83387
2655.0000 -204.90892 -194.81459 10.09434 2.76208 -194.82273 887.75635
2660.0000 -201.88614 -191.11982 10.76632 2.88115 -192.53910 967.44305
2665.0000 -201.02323 -191.53079 9.49243 2.92462 -191.70525 981.44244
2670.0000 -203.84212 -194.76901 9.07310 2.79803 -194.13318 919.00904
2675.0000 -204.74940 -194.50402 10.24538 2.80746 -193.95242 923.59120
2680.0000 -203.30827 -193.56710 9.74117 2.79017 -194.28407 905.05382
2685.0000 -204.05177 -193.34323 10.70854 2.85583 -193.02472 957.99462
2690.0000 -201.79750 -192.41203 9.38548 2.87142 -192.72569 949.78013
2695.0000 -203.65291 -191.30111 12.35180 2.94618 -191.29180 1010.44815
2700.0000 -200.11550 -189.95645 10.15904 2.94220 -191.36811 1016.36996
2705.0000 -202.52279 -189.53056 12.99223 3.04625 -189.37235 1087.02065
2710.0000 -202.85527 -193.10861 9.74666 2.97103 -190.81501 1018.57240
2715.0000 -203.40863 -193.00228 10.40635 2.90212 -192.13685 991.59253
2720.0000 -202.80217 -192.76156 10.04061 2.90510 -192.07966 971.01045
2725.0000 -202.77603 -190.18900 12.58703 2.89907 -192.19524 981.91751
2730.0000 -202.31214 -191.11321 11.19893 2.93977 -191.41469 1003.91625
2735.0000 -203.09229 -193.48914 9.60315 2.90975 -191.99049 981.84684
2740.0000 -203.21561 -192.51901 10.69660 2.85816 -192.97995 949.68571
2745.0000 -203.44105 -191.80898 11.63206 2.87031 -192.74690 954.77133
2750.0000 -201.50169 -190.40613 11.09557 2.97402 -190.75777 996.11670
FREEZING PROCESS: loop number 12 T-loop= 916.00000000000000
main_MD> interactions number 12 at Temperature= 916.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25317 2.65093 1.09438
force_rgl> df(natom) -1.21044 -1.42988 -0.44844
2755.0000 -202.09501 -192.41889 9.67612 2.95812 -191.06273 1016.89417
2760.0000 -205.22279 -194.65141 10.57138 2.83620 -193.40117 937.78415
2765.0000 -204.32016 -195.54988 8.77028 2.73877 -195.26992 894.13444
2770.0000 -205.34241 -197.36303 7.97938 2.66394 -196.70512 822.18601
2775.0000 -205.45222 -195.51544 9.93678 2.68462 -196.30847 833.71408
2780.0000 -204.06171 -193.47853 10.58318 2.79200 -194.24888 902.94383
2785.0000 -203.07318 -192.72544 10.34774 2.87696 -192.61933 970.40118
2790.0000 -204.15589 -193.47300 10.68288 2.90612 -192.06009 953.35209
2795.0000 -204.45328 -193.53490 10.91838 2.81520 -193.80395 916.51383
2800.0000 -202.81802 -194.24493 8.57309 2.80545 -193.99089 920.32468
2805.0000 -203.22551 -191.94852 11.27698 2.84750 -193.18449 936.52364
2810.0000 -203.70374 -193.47895 10.22479 2.85446 -193.05091 943.00663
2815.0000 -203.59553 -194.87901 8.71652 2.81337 -193.83907 935.54919
2820.0000 -203.75507 -195.14436 8.61072 2.76316 -194.80209 907.19229
2825.0000 -205.34275 -196.07743 9.26533 2.78743 -194.33656 906.36461
2830.0000 -204.72011 -195.43610 9.28401 2.70793 -195.86141 846.31312
2835.0000 -205.19509 -195.07709 10.11800 2.76515 -194.76397 900.27860
2840.0000 -205.36162 -195.94732 9.41430 2.76597 -194.74824 905.91822
2845.0000 -204.53622 -195.36323 9.17298 2.70930 -195.83504 862.82130
2850.0000 -203.56741 -195.17999 8.38742 2.73240 -195.39215 877.31575
2855.0000 -203.23783 -193.26780 9.97003 2.75769 -194.90706 887.12180
2860.0000 -201.82482 -190.71162 11.11320 2.89456 -192.28183 988.68701
2865.0000 -202.43794 -192.09730 10.34064 2.90302 -192.11959 976.85742
2870.0000 -203.19939 -193.95006 9.24933 2.81656 -193.77787 929.08097
2875.0000 -203.40183 -193.23809 10.16374 2.82329 -193.64881 919.59180
2880.0000 -203.73074 -193.25186 10.47887 2.81293 -193.84744 932.37830
2885.0000 -203.39643 -191.77691 11.61952 2.86935 -192.76532 938.61171
2890.0000 -203.54626 -193.74444 9.80183 2.86217 -192.90301 962.29737
2895.0000 -203.02530 -191.63582 11.38948 2.88252 -192.51264 952.04721
2900.0000 -201.85806 -191.31476 10.54330 2.89728 -192.22953 940.83391
2905.0000 -203.81919 -194.37734 9.44185 2.87573 -192.64296 952.54126
2910.0000 -205.39693 -194.11546 11.28148 2.76812 -194.70699 907.67363
2915.0000 -204.98576 -194.67147 10.31429 2.74812 -195.09048 892.77985
2920.0000 -204.78793 -194.68851 10.09941 2.72891 -195.45901 855.30771
2925.0000 -206.07601 -197.00183 9.07418 2.67653 -196.46364 867.42268
2930.0000 -207.06037 -196.98619 10.07417 2.63148 -197.32777 827.51862
2935.0000 -205.56107 -196.06175 9.49931 2.68606 -196.28091 866.49662
2940.0000 -203.98986 -192.98059 11.00927 2.77956 -194.48761 908.72177
2945.0000 -205.35321 -194.21636 11.13684 2.83939 -193.33992 968.45284
2950.0000 -205.05896 -194.30024 10.75872 2.81469 -193.81375 945.22186
2955.0000 -204.40191 -195.00020 9.40170 2.74212 -195.20569 871.53357
2960.0000 -204.29303 -193.56954 10.72349 2.80225 -194.05224 915.74765
2965.0000 -204.36958 -195.47045 8.89912 2.80854 -193.93166 913.21742
2970.0000 -205.42223 -196.08976 9.33247 2.68787 -196.24620 830.37191
2975.0000 -204.79824 -194.26756 10.53068 2.70267 -195.96229 850.51716
2980.0000 -202.29614 -191.35470 10.94145 2.88120 -192.53813 982.18838
2985.0000 -203.17576 -191.11810 12.05766 2.94515 -191.31155 1005.82372
2990.0000 -203.16985 -193.79253 9.37733 2.89728 -192.22960 989.76138
2995.0000 -202.81779 -192.09361 10.72418 2.82436 -193.62816 929.34486
3000.0000 -205.10373 -194.86017 10.24357 2.81271 -193.85166 930.91580
FREEZING PROCESS: loop number 13 T-loop= 891.00000000000000
main_MD> interactions number 13 at Temperature= 891.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53020 0.57765 -1.18960
force_rgl> df(natom) -0.06909 0.65253 0.24150
3005.0000 -207.38509 -197.08894 10.29615 2.72403 -195.55250 873.54951
3010.0000 -206.03084 -195.73595 10.29488 2.70047 -196.00440 838.84595
3015.0000 -204.65716 -195.51768 9.13948 2.72991 -195.43973 843.41124
3020.0000 -204.28271 -193.99289 10.28982 2.77191 -194.63415 898.71753
3025.0000 -205.00046 -195.15798 9.84248 2.80407 -194.01748 944.78646
3030.0000 -203.06048 -194.46275 8.59772 2.75825 -194.89619 873.43789
3035.0000 -206.25627 -196.60440 9.65187 2.74076 -195.23179 868.28864
3040.0000 -204.96964 -194.58586 10.38378 2.73958 -195.25430 902.38192
3045.0000 -204.86426 -194.35099 10.51327 2.78211 -194.43864 926.33557
3050.0000 -205.12518 -195.65424 9.47093 2.72258 -195.58050 844.06178
3055.0000 -205.44029 -194.61432 10.82596 2.75204 -195.01532 894.42450
3060.0000 -206.26176 -196.44770 9.81406 2.68566 -196.28860 854.35331
3065.0000 -203.79409 -194.95758 8.83652 2.75632 -194.93321 886.83845
3070.0000 -205.37381 -195.59105 9.78276 2.75618 -194.93589 909.63640
3075.0000 -205.58318 -195.46709 10.11609 2.73752 -195.29383 908.39777
3080.0000 -204.16846 -194.06007 10.10839 2.76961 -194.67833 899.78255
3085.0000 -205.71045 -195.48643 10.22403 2.73684 -195.30693 917.77758
3090.0000 -205.32159 -194.37751 10.94407 2.76567 -194.75394 895.29060
3095.0000 -203.97590 -194.47776 9.49814 2.82172 -193.67894 933.25731
3100.0000 -204.38849 -194.55682 9.83168 2.78792 -194.32726 892.18180
3105.0000 -204.25825 -194.60587 9.65238 2.78132 -194.45380 895.26130
3110.0000 -204.58833 -195.76478 8.82355 2.76898 -194.69047 901.78224
3115.0000 -207.23861 -196.64163 10.59699 2.67483 -196.49627 822.10904
3120.0000 -206.55086 -197.35148 9.19939 2.59366 -198.05312 787.54344
3125.0000 -203.18365 -195.67877 7.50488 2.69824 -196.04718 861.18386
3130.0000 -202.87536 -193.35948 9.51588 2.77552 -194.56493 879.03426
3135.0000 -204.90545 -196.47453 8.43092 2.74839 -195.08534 853.65559
3140.0000 -205.12726 -195.51288 9.61438 2.72025 -195.62501 863.25257
3145.0000 -204.92567 -196.63909 8.28658 2.64819 -197.00726 829.13448
3150.0000 -205.54397 -196.95788 8.58609 2.70184 -195.97819 866.09003
3155.0000 -206.18245 -195.71388 10.46858 2.70354 -195.94569 851.34676
3160.0000 -203.28141 -192.92271 10.35870 2.76655 -194.73700 899.05408
3165.0000 -204.20159 -193.08657 11.11502 2.87541 -192.64902 975.04053
3170.0000 -202.23665 -192.68386 9.55279 2.84155 -193.29860 947.89274
3175.0000 -205.79404 -194.56702 11.22702 2.78042 -194.47101 902.79897
3180.0000 -203.67593 -194.26291 9.41302 2.74684 -195.11509 917.46547
3185.0000 -204.82923 -194.93891 9.89032 2.77082 -194.65507 901.69769
3190.0000 -204.59643 -195.45230 9.14412 2.69443 -196.12029 866.56648
3195.0000 -203.09406 -193.84295 9.25110 2.76584 -194.75072 894.43467
3200.0000 -203.82577 -194.14360 9.68217 2.83752 -193.37590 954.53780
3205.0000 -203.92201 -194.37469 9.54732 2.79818 -194.13038 914.81533
3210.0000 -202.78448 -192.15129 10.63320 2.87411 -192.67398 962.31502
3215.0000 -203.10268 -194.23606 8.86662 2.83407 -193.44203 933.57291
3220.0000 -204.25822 -193.92392 10.33430 2.78061 -194.46740 877.83652
3225.0000 -203.82378 -194.33445 9.48933 2.79590 -194.17420 915.09061
3230.0000 -205.24323 -195.04435 10.19888 2.80528 -193.99421 923.18722
3235.0000 -206.06406 -196.02420 10.03986 2.71195 -195.78425 875.78859
3240.0000 -205.00828 -196.32060 8.68768 2.72533 -195.52760 868.37142
3245.0000 -203.66841 -193.04670 10.62171 2.79654 -194.16181 902.15447
3250.0000 -201.89454 -191.92239 9.97215 2.89029 -192.36370 946.41284
FREEZING PROCESS: loop number 14 T-loop= 866.00000000000000
main_MD> interactions number 14 at Temperature= 866.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.78354 -1.05774 0.02952
force_rgl> df(natom) -1.26141 1.11394 -1.32475
3255.0000 -204.16561 -193.60672 10.55889 2.85667 -193.00847 943.21407
3260.0000 -204.10775 -195.00969 9.09806 2.76754 -194.71812 913.71851
3265.0000 -202.89730 -192.24749 10.64981 2.81569 -193.79453 929.73337
3270.0000 -205.85157 -196.01239 9.83919 2.80183 -194.06038 933.37566
3275.0000 -205.79747 -197.48638 8.31109 2.63826 -197.19769 809.34197
3280.0000 -204.86808 -196.39428 8.47380 2.70958 -195.82971 862.91097
3285.0000 -206.77069 -196.99955 9.77115 2.67863 -196.42329 851.64641
3290.0000 -207.08738 -199.40654 7.68084 2.58681 -198.18456 787.66751
3295.0000 -205.99531 -197.33138 8.66393 2.52902 -199.29293 733.43272
3300.0000 -205.52665 -197.46002 8.06662 2.69551 -196.09953 857.45415
3305.0000 -206.17145 -197.01939 9.15206 2.65100 -196.95337 827.81841
3310.0000 -206.44336 -196.16238 10.28098 2.66138 -196.75418 850.10319
3315.0000 -205.62560 -195.32545 10.30015 2.75287 -194.99935 907.62400
3320.0000 -203.94681 -193.76149 10.18532 2.76681 -194.73214 907.13360
3325.0000 -203.40751 -195.12349 8.28402 2.78862 -194.31384 921.48068
3330.0000 -204.97392 -194.07740 10.89652 2.76823 -194.70487 880.02980
3335.0000 -204.53303 -193.17893 11.35411 2.77460 -194.58258 894.98439
3340.0000 -204.47710 -195.04319 9.43391 2.77458 -194.58294 884.11334
3345.0000 -203.85544 -193.50433 10.35111 2.78055 -194.46844 903.75226
3350.0000 -202.16518 -191.41274 10.75243 2.83157 -193.48994 927.63255
3355.0000 -203.66382 -193.52878 10.13504 2.81352 -193.83610 916.38565
3360.0000 -204.14549 -194.21799 9.92750 2.81604 -193.78791 931.11106
3365.0000 -204.45334 -194.45163 10.00171 2.80056 -194.08476 898.68396
3370.0000 -202.55005 -193.42062 9.12943 2.83236 -193.47489 938.97659
3375.0000 -204.58325 -195.18568 9.39757 2.79975 -194.10017 899.27142
3380.0000 -206.38576 -196.24952 10.13624 2.73126 -195.41401 879.23645
3385.0000 -205.90179 -195.99685 9.90493 2.64134 -197.13859 819.21154
3390.0000 -204.06292 -195.01008 9.05285 2.66500 -196.68476 844.58871
3395.0000 -203.72352 -194.25676 9.46676 2.77789 -194.51958 901.90360
3400.0000 -203.92816 -194.30789 9.62026 2.80007 -194.09410 913.41641
3405.0000 -203.33022 -194.02280 9.30742 2.81654 -193.77818 923.97621
3410.0000 -204.12281 -193.71662 10.40619 2.75737 -194.91313 896.54352
3415.0000 -202.56397 -192.50061 10.06336 2.85571 -193.02698 929.94582
3420.0000 -203.56567 -194.38222 9.18345 2.89870 -192.20238 968.45842
3425.0000 -203.94894 -194.10511 9.84384 2.78048 -194.46995 892.41561
3430.0000 -204.31688 -193.35249 10.96439 2.83067 -193.50717 915.53664
3435.0000 -203.93104 -194.42291 9.50813 2.83393 -193.44460 953.90455
3440.0000 -203.92077 -194.53507 9.38570 2.77610 -194.55388 913.70844
3445.0000 -204.43597 -194.93646 9.49951 2.74678 -195.11616 866.62416
3450.0000 -202.86974 -194.34809 8.52166 2.82694 -193.57881 938.82762
3455.0000 -205.24522 -195.95948 9.28574 2.75036 -195.04761 894.64255
3460.0000 -204.03258 -195.40981 8.62278 2.73028 -195.43275 868.85825
3465.0000 -203.51255 -194.73769 8.77486 2.74216 -195.20487 881.48527
3470.0000 -204.85717 -195.35043 9.50673 2.78886 -194.30911 884.94929
3475.0000 -203.67963 -195.09945 8.58018 2.71972 -195.63531 856.75151
3480.0000 -204.27853 -192.21349 12.06504 2.79569 -194.17818 899.11503
3485.0000 -204.81264 -195.27473 9.53791 2.76190 -194.82620 888.66392
3490.0000 -206.06106 -196.16536 9.89570 2.71919 -195.64535 853.33243
3495.0000 -205.63717 -195.92696 9.71021 2.69360 -196.13623 865.73705
3500.0000 -206.50715 -197.15338 9.35378 2.65773 -196.82419 829.89586
FREEZING PROCESS: loop number 15 T-loop= 841.00000000000000
main_MD> interactions number 15 at Temperature= 841.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68273 -4.26799 -0.77905
force_rgl> df(natom) 0.40990 -1.79908 2.15037
3505.0000 -205.96047 -196.35116 9.60931 2.70178 -195.97931 865.42053
3510.0000 -206.87100 -198.66088 8.21012 2.65287 -196.91751 829.10286
3515.0000 -206.24971 -197.45987 8.78984 2.57871 -198.33995 791.73437
3520.0000 -205.40394 -196.48425 8.91968 2.64314 -197.10408 801.08597
3525.0000 -205.54200 -195.69689 9.84511 2.67708 -196.45304 851.17432
3530.0000 -205.71706 -197.43449 8.28257 2.67418 -196.50872 838.51969
3535.0000 -207.36772 -196.95682 10.41090 2.62571 -197.43840 830.78713
3540.0000 -205.73884 -197.32225 8.41660 2.66094 -196.76268 856.16725
3545.0000 -205.03854 -196.40477 8.63376 2.62832 -197.38837 803.12428
3550.0000 -206.27345 -197.12924 9.14421 2.67358 -196.52014 804.43647
3555.0000 -206.14036 -198.28727 7.85309 2.60893 -197.76019 797.74309
3560.0000 -205.48354 -197.12464 8.35891 2.62407 -197.46987 785.97209
3565.0000 -205.71409 -195.99747 9.71662 2.67075 -196.57454 830.83109
3570.0000 -204.75333 -195.28931 9.46403 2.72518 -195.53045 864.77893
3575.0000 -204.43823 -195.04520 9.39302 2.77905 -194.49727 914.95091
3580.0000 -204.60067 -195.55895 9.04171 2.71058 -195.81062 856.72255
3585.0000 -205.08728 -194.10497 10.98231 2.74589 -195.13327 885.36337
3590.0000 -205.92467 -197.90801 8.01665 2.73960 -195.25391 887.19549
3595.0000 -206.24740 -196.81297 9.43443 2.63795 -197.20362 812.43748
3600.0000 -205.24933 -196.08290 9.16644 2.65456 -196.88498 815.55318
3605.0000 -204.90625 -195.56022 9.34603 2.72040 -195.62215 867.28278
3610.0000 -206.46335 -196.12219 10.34116 2.72530 -195.52816 879.90736
3615.0000 -205.97039 -197.66902 8.30137 2.64905 -196.99066 813.40667
3620.0000 -208.36818 -199.99270 8.37548 2.58421 -198.23431 773.89655
3625.0000 -207.63252 -200.08612 7.54640 2.48173 -200.19994 735.84495
3630.0000 -206.30225 -196.42724 9.87500 2.61824 -197.58175 789.31005
3635.0000 -205.36605 -195.97302 9.39302 2.70199 -195.97524 865.64093
3640.0000 -203.93425 -194.27979 9.65446 2.72068 -195.61686 896.75444
3645.0000 -205.55217 -196.67984 8.87233 2.70429 -195.93116 872.68638
3650.0000 -205.21952 -198.02773 7.19178 2.66433 -196.69768 826.51261
3655.0000 -207.20809 -198.46787 8.74022 2.57077 -198.49214 805.06352
3660.0000 -206.91074 -199.19172 7.71901 2.54965 -198.89720 764.13615
3665.0000 -206.69784 -197.99738 8.70046 2.54566 -198.97382 772.99300
3670.0000 -207.07952 -197.63678 9.44274 2.57399 -198.43047 798.79349
3675.0000 -206.75484 -196.68659 10.06824 2.63612 -197.23878 838.06123
3680.0000 -203.73877 -194.79083 8.94794 2.72140 -195.60305 882.73142
3685.0000 -206.47087 -197.65398 8.81689 2.68422 -196.31616 828.72967
3690.0000 -205.35771 -196.00180 9.35591 2.66080 -196.76530 844.16728
3695.0000 -205.86796 -196.71700 9.15095 2.63399 -197.27949 815.68732
3700.0000 -208.72172 -200.42507 8.29664 2.60841 -197.77012 806.58714
3705.0000 -207.31069 -199.19065 8.12004 2.49994 -199.85060 741.57175
3710.0000 -205.65762 -194.99096 10.66666 2.66414 -196.70134 834.69032
3715.0000 -206.08550 -196.52731 9.55819 2.67454 -196.50190 834.11408
3720.0000 -205.53698 -196.89132 8.64566 2.65086 -196.95603 839.40985
3725.0000 -205.68902 -196.04387 9.64515 2.65638 -196.85010 830.47974
3730.0000 -206.11464 -196.96106 9.15358 2.63247 -197.30880 802.27026
3735.0000 -206.08888 -198.44060 7.64828 2.57333 -198.44296 770.62140
3740.0000 -208.56435 -200.83333 7.73102 2.54340 -199.01702 762.64362
3745.0000 -206.38427 -198.11683 8.26743 2.53069 -199.26086 757.31533
3750.0000 -206.63341 -198.08154 8.55187 2.61324 -197.67764 804.87922
FREEZING PROCESS: loop number 16 T-loop= 816.00000000000000
main_MD> interactions number 16 at Temperature= 816.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58921 -2.71338 0.80565
force_rgl> df(natom) 0.20083 2.15665 1.48010
3755.0000 -206.57160 -197.54488 9.02672 2.59512 -198.02520 792.55408
3760.0000 -204.38448 -194.53933 9.84516 2.71988 -195.63215 879.85205
3765.0000 -206.20385 -198.72012 7.48373 2.66762 -196.63461 830.32021
3770.0000 -206.49345 -197.86930 8.62415 2.58544 -198.21079 776.12903
3775.0000 -206.02834 -198.04814 7.98020 2.61775 -197.59103 797.55770
3780.0000 -205.73889 -198.41847 7.32042 2.57358 -198.43826 765.84320
3785.0000 -206.70946 -197.42982 9.27964 2.58095 -198.29694 780.67306
3790.0000 -206.41590 -197.13911 9.27679 2.65727 -196.83310 837.98781
3795.0000 -205.34620 -197.01008 8.33612 2.64303 -197.10623 834.21693
3800.0000 -206.24567 -197.47204 8.77363 2.64300 -197.10670 820.64092
3805.0000 -207.48536 -199.08258 8.40278 2.55116 -198.86836 769.89003
3810.0000 -205.98827 -197.82950 8.15877 2.59063 -198.11120 791.31198
3815.0000 -205.78107 -196.20674 9.57433 2.64309 -197.10503 819.84728
3820.0000 -206.01704 -197.69776 8.31928 2.65783 -196.82223 834.16757
3825.0000 -204.79662 -196.17867 8.61795 2.64451 -197.07774 789.16666
3830.0000 -204.92785 -195.44958 9.47828 2.71602 -195.70619 850.01333
3835.0000 -205.31153 -196.09123 9.22031 2.68386 -196.32308 880.04124
3840.0000 -206.10875 -198.31725 7.79150 2.63196 -197.31860 815.79654
3845.0000 -205.16574 -197.22662 7.93912 2.63875 -197.18826 832.11858
3850.0000 -205.94301 -197.75877 8.18424 2.58623 -198.19571 785.50522
3855.0000 -205.89158 -196.59922 9.29236 2.57420 -198.42640 770.62569
3860.0000 -206.11530 -198.48499 7.63030 2.59730 -197.98335 792.78562
3865.0000 -207.53210 -198.77850 8.75359 2.56315 -198.63825 793.14183
3870.0000 -207.66290 -197.87941 9.78350 2.58092 -198.29741 800.77169
3875.0000 -206.10118 -196.46528 9.63590 2.64939 -196.98425 826.35148
3880.0000 -206.71235 -198.14070 8.57164 2.66292 -196.72468 802.49447
3885.0000 -207.35288 -198.27137 9.08151 2.57304 -198.44867 815.74853
3890.0000 -206.51671 -197.44735 9.06936 2.61833 -197.57994 831.65590
3895.0000 -205.84647 -197.19854 8.64793 2.63669 -197.22780 814.27733
3900.0000 -206.58712 -197.75507 8.83204 2.60249 -197.88385 794.71623
3905.0000 -207.53746 -198.55154 8.98591 2.55736 -198.74929 796.18957
3910.0000 -206.81760 -199.27634 7.54126 2.57601 -198.39161 792.30329
3915.0000 -206.36929 -198.13291 8.23637 2.54277 -199.02915 760.29946
3920.0000 -206.55734 -198.54674 8.01059 2.57877 -198.33876 791.93902
3925.0000 -206.96523 -199.60623 7.35900 2.54598 -198.96757 796.97249
3930.0000 -205.47280 -197.63818 7.83462 2.58949 -198.13303 793.80892
3935.0000 -207.52033 -199.79617 7.72416 2.59192 -198.08657 801.65042
3940.0000 -206.47478 -197.19786 9.27692 2.60746 -197.78845 794.77043
3945.0000 -206.82675 -199.03271 7.79404 2.60829 -197.77253 786.18431
3950.0000 -208.01857 -199.63067 8.38790 2.53001 -199.27399 746.43156
3955.0000 -208.12591 -200.25477 7.87114 2.50488 -199.75603 739.16637
3960.0000 -205.85515 -196.22781 9.62734 2.58144 -198.28744 789.74187
3965.0000 -206.70882 -198.01241 8.69641 2.61220 -197.69747 815.66552
3970.0000 -206.79038 -196.85592 9.93445 2.60132 -197.90626 798.04598
3975.0000 -204.26852 -195.58465 8.68387 2.65436 -196.88895 843.78999
3980.0000 -205.46867 -195.90402 9.56465 2.70309 -195.95423 865.12919
3985.0000 -206.35025 -197.51490 8.83536 2.63167 -197.32405 818.84327
3990.0000 -206.00614 -196.80852 9.19762 2.65398 -196.89610 833.74704
3995.0000 -206.59800 -197.88540 8.71260 2.63614 -197.23830 795.40137
4000.0000 -207.58930 -197.62694 9.96235 2.60830 -197.77237 795.82684
FREEZING PROCESS: loop number 17 T-loop= 791.00000000000000
main_MD> interactions number 17 at Temperature= 791.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40139 1.66989 -0.83435
force_rgl> df(natom) 0.01146 0.76684 -0.06520
4005.0000 -207.47104 -199.23959 8.23144 2.55244 -198.84364 795.57796
4010.0000 -207.52139 -199.07685 8.44454 2.57545 -198.40247 801.25335
4015.0000 -207.95776 -198.89179 9.06597 2.57695 -198.37356 779.03622
4020.0000 -205.73029 -196.80532 8.92497 2.63116 -197.33392 830.87161
4025.0000 -206.40637 -196.57650 9.82987 2.65197 -196.93466 837.60864
4030.0000 -207.37892 -197.32387 10.05505 2.71137 -195.79545 869.84744
4035.0000 -207.21341 -198.78363 8.42978 2.59574 -198.01327 782.95020
4040.0000 -207.42219 -198.73928 8.68292 2.58553 -198.20899 796.23035
4045.0000 -205.71220 -197.56144 8.15076 2.62269 -197.49640 796.15949
4050.0000 -207.05438 -198.37603 8.67835 2.61109 -197.71885 812.86940
4055.0000 -205.88783 -198.26040 7.62743 2.62557 -197.44106 828.01260
4060.0000 -204.46761 -196.59902 7.86859 2.61833 -197.57993 798.55891
4065.0000 -205.36902 -196.49880 8.87022 2.68616 -196.27892 840.21660
4070.0000 -206.22736 -197.47388 8.75348 2.63572 -197.24632 815.46729
4075.0000 -206.41543 -196.42785 9.98758 2.66114 -196.75883 856.03867
4080.0000 -206.71491 -197.87702 8.83789 2.59173 -198.09009 797.84036
4085.0000 -206.85009 -198.48066 8.36943 2.57793 -198.35487 773.84122
4090.0000 -204.61462 -195.81204 8.80258 2.63492 -197.26180 815.75476
4095.0000 -206.14082 -196.85419 9.28663 2.69710 -196.06917 838.90149
4100.0000 -207.16726 -199.44601 7.72125 2.59868 -197.95679 786.38650
4105.0000 -207.03572 -198.67351 8.36221 2.56037 -198.69160 771.57428
4110.0000 -208.37750 -199.70737 8.67013 2.52093 -199.44811 748.88049
4115.0000 -208.52866 -199.56678 8.96187 2.51956 -199.47439 751.19130
4120.0000 -207.26488 -198.26856 8.99631 2.55744 -198.74787 773.28919
4125.0000 -208.12362 -199.11860 9.00502 2.56244 -198.65200 798.20790
4130.0000 -207.41975 -197.48648 9.93327 2.57452 -198.42023 791.67825
4135.0000 -206.39968 -197.91787 8.48181 2.58326 -198.25262 805.66331
4140.0000 -207.57315 -199.78101 7.79214 2.57347 -198.44039 791.95449
4145.0000 -208.08553 -200.26511 7.82043 2.49451 -199.95474 737.95587
4150.0000 -208.05346 -199.75088 8.30257 2.49309 -199.98211 719.01292
4155.0000 -206.43439 -198.91658 7.51781 2.52708 -199.33007 757.83827
4160.0000 -207.01404 -199.18585 7.82819 2.52636 -199.34398 743.43579
4165.0000 -206.18440 -197.86822 8.31618 2.58427 -198.23322 784.70060
4170.0000 -206.74785 -198.11922 8.62864 2.60046 -197.92269 809.41349
4175.0000 -206.05018 -198.16343 7.88675 2.59378 -198.05075 790.26416
4180.0000 -206.77285 -198.16831 8.60455 2.58308 -198.25601 803.87486
4185.0000 -206.95551 -198.41654 8.53897 2.60961 -197.74723 793.72481
4190.0000 -206.77386 -198.18803 8.58583 2.52227 -199.42242 753.85335
4195.0000 -208.36907 -199.28793 9.08114 2.57022 -198.50275 783.09634
4200.0000 -208.14128 -199.46706 8.67422 2.56203 -198.65986 779.72650
4205.0000 -207.15179 -199.14308 8.00871 2.51966 -199.47236 738.12850
4210.0000 -207.22069 -198.96724 8.25346 2.54869 -198.91573 768.34471
4215.0000 -206.34655 -198.10135 8.24520 2.54957 -198.89870 767.37116
4220.0000 -205.36683 -197.08603 8.28079 2.58166 -198.28326 799.01236
4225.0000 -207.92511 -199.62376 8.30135 2.57406 -198.42906 776.66578
4230.0000 -205.57753 -197.39818 8.17935 2.58586 -198.20278 799.82259
4235.0000 -208.13437 -198.92367 9.21070 2.55160 -198.85980 768.23342
4240.0000 -206.45521 -197.80616 8.64904 2.52751 -199.32196 768.05715
4245.0000 -206.67044 -196.70111 9.96932 2.64055 -197.15376 794.18628
4250.0000 -205.60685 -197.46786 8.13900 2.65906 -196.79878 844.40294
FREEZING PROCESS: loop number 18 T-loop= 766.00000000000000
main_MD> interactions number 18 at Temperature= 766.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.96774 -0.83399 -1.06251
force_rgl> df(natom) -4.18098 -1.51214 0.84224
4255.0000 -207.01262 -198.93474 8.07788 2.57768 -198.35958 792.08546
4260.0000 -207.62460 -198.90794 8.71666 2.54156 -199.05245 764.06817
4265.0000 -206.64401 -199.19788 7.44613 2.54165 -199.05069 764.08128
4270.0000 -208.00794 -199.29146 8.71649 2.53278 -199.22077 761.14134
4275.0000 -206.27546 -196.81856 9.45689 2.55809 -198.73537 772.62116
4280.0000 -207.60683 -198.59361 9.01322 2.59072 -198.10953 805.47090
4285.0000 -207.44446 -199.10077 8.34369 2.50751 -199.70558 746.82760
4290.0000 -205.95670 -197.63521 8.32149 2.54708 -198.94654 754.66305
4295.0000 -206.81749 -198.85947 7.95802 2.61446 -197.65424 810.79562
4300.0000 -208.28899 -200.06520 8.22379 2.54350 -199.01514 766.00016
4305.0000 -205.68822 -197.35365 8.33458 2.56037 -198.69170 757.69795
4310.0000 -206.38994 -198.94852 7.44142 2.56491 -198.60463 770.54434
4315.0000 -205.86797 -196.72353 9.14444 2.58148 -198.28673 765.33161
4320.0000 -208.09042 -199.26753 8.82289 2.58052 -198.30515 778.76402
4325.0000 -208.00993 -199.22778 8.78216 2.53244 -199.22740 757.89356
4330.0000 -207.43683 -199.80522 7.63161 2.57647 -198.38291 780.24520
4335.0000 -205.10214 -197.67305 7.42909 2.52240 -199.41988 740.53674
4340.0000 -207.75332 -199.02269 8.73063 2.56860 -198.53369 784.72094
4345.0000 -208.32888 -199.50025 8.82863 2.52050 -199.45636 758.16899
4350.0000 -206.57659 -199.21994 7.35664 2.52405 -199.38816 727.10252
4355.0000 -205.40398 -197.39629 8.00769 2.59253 -198.07482 788.58818
4360.0000 -205.96167 -197.08242 8.87925 2.62751 -197.40395 808.81258
4365.0000 -206.93741 -197.64531 9.29210 2.60702 -197.79685 787.51298
4370.0000 -207.18020 -199.26618 7.91401 2.53741 -199.13203 759.45123
4375.0000 -208.37427 -198.51430 9.85997 2.53240 -199.22808 752.47553
4380.0000 -205.63750 -197.73399 7.90351 2.54284 -199.02789 754.37180
4385.0000 -207.80553 -197.53250 10.27303 2.62960 -197.36386 814.20160
4390.0000 -206.45703 -197.77832 8.67872 2.61940 -197.55946 808.67843
4395.0000 -206.91578 -198.82437 8.09141 2.57772 -198.35884 784.61891
4400.0000 -207.24310 -198.83821 8.40489 2.52825 -199.30769 743.78613
4405.0000 -207.96542 -199.35488 8.61054 2.54044 -199.07391 756.72426
4410.0000 -207.65644 -199.69137 7.96506 2.51743 -199.51528 762.14318
4415.0000 -207.24512 -199.25006 7.99506 2.52798 -199.31285 733.89431
4420.0000 -206.84916 -199.37585 7.47331 2.50813 -199.69368 722.49647
4425.0000 -208.30048 -201.13515 7.16532 2.49645 -199.91760 729.64431
4430.0000 -207.05884 -198.25277 8.80607 2.50671 -199.72088 741.05022
4435.0000 -207.71239 -199.05239 8.66001 2.57623 -198.38738 780.36026
4440.0000 -206.75357 -198.36116 8.39242 2.51490 -199.56375 730.43878
4445.0000 -207.78234 -199.66002 8.12232 2.55044 -198.88201 743.93700
4450.0000 -206.60056 -198.26951 8.33104 2.56596 -198.58444 786.60418
4455.0000 -207.80195 -199.06863 8.73332 2.55923 -198.71353 756.48924
4460.0000 -208.81665 -200.67126 8.14539 2.51762 -199.51154 741.62641
4465.0000 -208.69423 -201.20467 7.48956 2.44976 -200.81309 712.16973
4470.0000 -207.35014 -199.10859 8.24156 2.50793 -199.69746 723.74306
4475.0000 -207.90018 -200.13435 7.76583 2.49932 -199.86253 722.82966
4480.0000 -208.29454 -200.79792 7.49662 2.47955 -200.24177 723.28899
4485.0000 -207.71684 -200.01179 7.70505 2.48087 -200.21654 711.90963
4490.0000 -206.49433 -197.74835 8.74598 2.55710 -198.75427 807.13877
4495.0000 -206.26801 -196.78395 9.48406 2.63433 -197.27300 811.09553
4500.0000 -205.64386 -196.31161 9.33225 2.70546 -195.90876 862.05357
FREEZING PROCESS: loop number 19 T-loop= 741.00000000000000
main_MD> interactions number 19 at Temperature= 741.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.59741 0.54205 -1.37622
force_rgl> df(natom) 3.40359 -0.46102 0.85121
4505.0000 -206.77157 -198.42730 8.34426 2.60629 -197.81085 796.20184
4510.0000 -207.35653 -200.15473 7.20180 2.52297 -199.40901 746.00420
4515.0000 -209.25820 -202.09026 7.16794 2.46279 -200.56324 691.72131
4520.0000 -207.62293 -200.35966 7.26327 2.43826 -201.03381 688.15001
4525.0000 -207.21022 -199.24814 7.96208 2.51037 -199.65070 717.12826
4530.0000 -206.89849 -198.92050 7.97800 2.57056 -198.49612 772.97543
4535.0000 -206.68072 -199.71659 6.96413 2.54442 -198.99758 733.47725
4540.0000 -205.74593 -197.63641 8.10951 2.57966 -198.32167 775.75571
4545.0000 -206.90287 -199.00616 7.89671 2.57444 -198.42177 759.44565
4550.0000 -207.45198 -199.57954 7.87244 2.53528 -199.17283 769.90276
4555.0000 -207.03223 -200.00814 7.02409 2.47928 -200.24699 724.74379
4560.0000 -208.01132 -199.69935 8.31198 2.50857 -199.68519 745.56667
4565.0000 -207.77114 -199.47839 8.29275 2.53994 -199.08346 761.68516
4570.0000 -208.39536 -200.85822 7.53714 2.47625 -200.30499 711.85940
4575.0000 -209.03537 -201.48110 7.55427 2.44408 -200.92217 711.38104
4580.0000 -208.14629 -201.25765 6.88864 2.42629 -201.26326 689.80621
4585.0000 -207.74920 -200.12943 7.61978 2.45012 -200.80617 706.12974
4590.0000 -207.33179 -200.46819 6.86360 2.48074 -200.21885 728.43747
4595.0000 -205.32867 -197.41520 7.91347 2.52119 -199.44303 727.02003
4600.0000 -205.17562 -196.21226 8.96336 2.65327 -196.90970 799.93581
4605.0000 -208.12917 -199.06673 9.06243 2.60048 -197.92225 797.46549
4610.0000 -207.54823 -200.22348 7.32475 2.52523 -199.36566 746.83881
4615.0000 -207.68598 -199.73719 7.94878 2.53306 -199.21552 737.99562
4620.0000 -209.01663 -201.25720 7.75943 2.48665 -200.10550 716.93175
4625.0000 -207.58908 -199.13411 8.45497 2.46713 -200.47990 711.57090
4630.0000 -208.39071 -200.54780 7.84290 2.47956 -200.24154 710.89717
4635.0000 -207.94949 -200.31216 7.63733 2.46353 -200.54896 695.90082
4640.0000 -207.16147 -199.95879 7.20268 2.48446 -200.14751 725.12151
4645.0000 -208.37884 -200.32911 8.04974 2.51156 -199.62788 738.18514
4650.0000 -206.91617 -199.34576 7.57041 2.49624 -199.92160 717.02812
4655.0000 -206.82905 -197.95964 8.86941 2.54848 -198.91958 760.12697
4660.0000 -206.79004 -199.18182 7.60822 2.54890 -198.91169 768.97177
4665.0000 -207.61148 -200.34536 7.26612 2.48186 -200.19750 716.45962
4670.0000 -207.92655 -199.94249 7.98406 2.49505 -199.94439 706.18240
4675.0000 -208.70802 -199.75058 8.95744 2.50689 -199.71732 760.07181
4680.0000 -208.21181 -200.48474 7.72706 2.49246 -199.99405 739.74321
4685.0000 -206.51053 -197.94329 8.56724 2.53415 -199.19450 764.72171
4690.0000 -205.58041 -197.76706 7.81334 2.59403 -198.04609 775.73879
4695.0000 -207.11675 -198.23254 8.88421 2.57573 -198.39697 753.48697
4700.0000 -207.52451 -199.64201 7.88250 2.52102 -199.44633 743.68585
4705.0000 -207.37011 -199.62505 7.74506 2.53482 -199.18174 752.33969
4710.0000 -206.94690 -198.71760 8.22931 2.50868 -199.68295 718.35043
4715.0000 -205.97101 -198.53671 7.43430 2.53310 -199.21471 727.83606
4720.0000 -206.76394 -198.77155 7.99240 2.55068 -198.87752 767.85200
4725.0000 -208.90909 -199.64856 9.26054 2.52396 -199.39006 762.03772
4730.0000 -207.48370 -200.45134 7.03237 2.50536 -199.74678 746.94741
4735.0000 -208.19523 -200.17162 8.02361 2.47052 -200.41501 710.53547
4740.0000 -208.52191 -200.24702 8.27489 2.47873 -200.25758 717.39741
4745.0000 -208.32195 -201.04454 7.27741 2.48204 -200.19410 726.53177
4750.0000 -208.81504 -201.56351 7.25153 2.45009 -200.80682 694.86938
FREEZING PROCESS: loop number 20 T-loop= 716.00000000000000
main_MD> interactions number 20 at Temperature= 716.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.72898 -3.10536 -1.17852
force_rgl> df(natom) -0.62603 0.63667 3.97664
4755.0000 -208.32945 -200.42915 7.90030 2.43821 -201.03468 713.30536
4760.0000 -209.12443 -200.77468 8.34975 2.47075 -200.41056 746.46797
4765.0000 -208.48412 -201.09921 7.38490 2.45722 -200.66998 696.30367
4770.0000 -207.21159 -200.19076 7.02083 2.43542 -201.08828 697.70342
4775.0000 -207.62938 -198.42567 9.20370 2.51473 -199.56706 740.17229
4780.0000 -207.12302 -198.99840 8.12462 2.56415 -198.61918 768.87995
4785.0000 -208.20036 -200.09888 8.10149 2.53443 -199.18924 746.19818
4790.0000 -208.20450 -201.09591 7.10859 2.51263 -199.60730 743.77333
4795.0000 -207.78678 -199.29414 8.49264 2.47315 -200.36461 717.03808
4800.0000 -208.39068 -199.90569 8.48499 2.45902 -200.63561 722.46850
4805.0000 -208.52301 -200.13206 8.39095 2.50556 -199.74297 738.33428
4810.0000 -208.42275 -201.16152 7.26123 2.46753 -200.47241 697.91608
4815.0000 -208.57581 -200.86036 7.71545 2.42969 -201.19801 670.31685
4820.0000 -207.51782 -199.88413 7.63369 2.49582 -199.92965 716.38198
4825.0000 -207.63211 -200.41865 7.21346 2.45190 -200.77213 683.45233
4830.0000 -210.24508 -202.06406 8.18102 2.41359 -201.50685 689.97033
4835.0000 -207.37385 -200.64582 6.72803 2.37588 -202.23019 647.93739
4840.0000 -207.61447 -200.40533 7.20914 2.45009 -200.80683 688.61646
4845.0000 -207.33496 -200.23548 7.09948 2.48546 -200.12841 727.07177
4850.0000 -207.41683 -199.81268 7.60416 2.46331 -200.55325 713.29777
4855.0000 -207.37380 -199.53237 7.84143 2.50149 -199.82095 735.23828
4860.0000 -207.74247 -199.25884 8.48363 2.53269 -199.22246 768.12105
4865.0000 -207.56167 -199.20191 8.35976 2.53378 -199.20162 735.71572
4870.0000 -208.14682 -200.39783 7.74899 2.51164 -199.62625 736.16274
4875.0000 -206.78264 -198.70590 8.07674 2.50885 -199.67983 731.82635
4880.0000 -208.33413 -199.59240 8.74174 2.55055 -198.87993 774.46577
4885.0000 -209.22690 -201.05610 8.17079 2.47736 -200.28378 733.31871
4890.0000 -208.17340 -199.07007 9.10333 2.50212 -199.80882 747.76815
4895.0000 -206.45506 -198.64952 7.80554 2.56838 -198.53801 763.44471
4900.0000 -207.35020 -199.15153 8.19867 2.52807 -199.31121 735.10296
4905.0000 -208.16006 -200.61518 7.54489 2.47796 -200.27227 719.59898
4910.0000 -208.38597 -200.34950 8.03647 2.51870 -199.49085 769.76648
4915.0000 -207.56604 -199.03857 8.52748 2.51724 -199.51881 762.25816
4920.0000 -207.97230 -198.55536 9.41694 2.53293 -199.21794 771.69082
4925.0000 -206.36059 -197.99959 8.36101 2.57147 -198.47870 774.24582
4930.0000 -207.26878 -199.39368 7.87510 2.54743 -198.93980 728.74491
4935.0000 -208.04025 -200.23418 7.80607 2.49582 -199.92970 721.02292
4940.0000 -209.68771 -201.23522 8.45249 2.44701 -200.86584 682.06676
4945.0000 -209.16417 -202.48641 6.67776 2.40865 -201.60170 680.58081
4950.0000 -208.70816 -201.62257 7.08558 2.40440 -201.68325 690.17292
4955.0000 -208.87077 -201.18513 7.68563 2.43710 -201.05598 707.53126
4960.0000 -207.06378 -199.13314 7.93064 2.51235 -199.61270 741.88435
4965.0000 -207.25777 -198.95712 8.30065 2.52840 -199.30480 756.84362
4970.0000 -207.22696 -199.78603 7.44093 2.50160 -199.81893 733.49364
4975.0000 -208.22722 -200.64285 7.58438 2.43670 -201.06370 683.42898
4980.0000 -208.64902 -200.59741 8.05161 2.42927 -201.20608 695.55363
4985.0000 -208.51835 -200.33766 8.18069 2.44703 -200.86544 702.43982
4990.0000 -209.56487 -201.90624 7.65863 2.46541 -200.51305 714.97240
4995.0000 -208.56454 -199.97228 8.59226 2.43516 -201.09320 713.43435
5000.0000 -209.78550 -201.04163 8.74388 2.48573 -200.12331 755.17394
FREEZING PROCESS: loop number 21 T-loop= 691.00000000000000
main_MD> interactions number 21 at Temperature= 691.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.97807 1.25061 3.07345
force_rgl> df(natom) -1.29965 0.49510 -0.60046
5005.0000 -208.53362 -201.32943 7.20419 2.44206 -200.96080 696.01460
5010.0000 -207.69390 -200.88136 6.81254 2.44061 -200.98857 686.09840
5015.0000 -208.59454 -201.05300 7.54153 2.43660 -201.06553 710.37078
5020.0000 -208.50036 -201.18536 7.31500 2.45191 -200.77187 694.06490
5025.0000 -208.60484 -201.93694 6.66790 2.42101 -201.36463 691.54852
5030.0000 -207.75250 -199.77556 7.97694 2.42595 -201.26984 703.17505
5035.0000 -207.93204 -201.10685 6.82519 2.45225 -200.76532 703.06950
5040.0000 -207.69183 -199.57003 8.12180 2.46747 -200.47341 696.92973
5045.0000 -206.98073 -199.53247 7.44826 2.52396 -199.39002 753.37205
5050.0000 -209.59332 -202.21572 7.37760 2.42601 -201.26859 701.17787
5055.0000 -209.78281 -202.29358 7.48923 2.38454 -202.06401 685.46173
5060.0000 -208.71741 -201.37145 7.34595 2.40394 -201.69196 680.39066
5065.0000 -209.26443 -201.40313 7.86130 2.41804 -201.42150 683.57862
5070.0000 -208.15973 -199.75169 8.40804 2.46647 -200.49265 695.35235
5075.0000 -207.52149 -199.63250 7.88899 2.53578 -199.16330 762.67490
5080.0000 -208.41778 -200.48531 7.93247 2.47620 -200.30611 710.86550
5085.0000 -207.74344 -200.47812 7.26531 2.48200 -200.19474 696.30247
5090.0000 -207.46228 -199.55991 7.90237 2.50514 -199.75092 725.00772
5095.0000 -209.36728 -202.02904 7.33824 2.42370 -201.31293 680.42791
5100.0000 -209.75760 -202.29655 7.46106 2.38431 -202.06839 660.66956
5105.0000 -208.48336 -200.00223 8.48113 2.40937 -201.58777 693.52722
5110.0000 -208.76225 -201.89353 6.86873 2.45124 -200.78466 704.32090
5115.0000 -209.10781 -202.50329 6.60452 2.37642 -202.21977 658.71455
5120.0000 -208.99670 -201.68714 7.30956 2.37538 -202.23971 662.81310
5125.0000 -209.21095 -201.77832 7.43264 2.41190 -201.53935 684.62344
5130.0000 -208.79361 -201.69611 7.09751 2.34981 -202.73017 628.64997
5135.0000 -208.21372 -200.46455 7.74917 2.43268 -201.14065 696.52695
5140.0000 -207.67872 -200.56782 7.11090 2.49421 -199.96051 749.16219
5145.0000 -206.86444 -200.32357 6.54087 2.47853 -200.26125 714.14271
5150.0000 -207.27518 -198.94161 8.33357 2.47907 -200.25103 720.25094
5155.0000 -206.62879 -198.02550 8.60329 2.53370 -199.20311 761.59795
5160.0000 -207.66825 -200.20672 7.46154 2.50762 -199.70339 746.62688
5165.0000 -208.26062 -200.88167 7.37895 2.44429 -200.91797 714.69273
5170.0000 -209.06844 -202.27120 6.79723 2.37695 -202.20975 658.47531
5175.0000 -208.50177 -201.11104 7.39074 2.42188 -201.34789 657.50294
5180.0000 -209.20932 -201.40653 7.80279 2.42272 -201.33184 684.06358
5185.0000 -207.66674 -200.97192 6.69482 2.41011 -201.57362 670.29831
5190.0000 -209.57767 -201.68635 7.89132 2.41110 -201.55460 675.36494
5195.0000 -209.52184 -201.67205 7.84978 2.38244 -202.10428 673.03829
5200.0000 -209.66600 -202.54580 7.12020 2.39928 -201.78129 683.30730
5205.0000 -208.81640 -201.65271 7.16369 2.36674 -202.40546 656.35045
5210.0000 -208.87032 -201.81364 7.05668 2.40528 -201.66630 658.74033
5215.0000 -208.91630 -200.61961 8.29669 2.43370 -201.12109 694.86339
5220.0000 -209.02517 -201.12751 7.89766 2.45001 -200.80830 720.54401
5225.0000 -208.92587 -200.86454 8.06133 2.46893 -200.44555 732.59707
5230.0000 -208.45438 -201.64496 6.80941 2.45641 -200.68562 703.90651
5235.0000 -207.09012 -200.07518 7.01494 2.43538 -201.08894 692.45768
5240.0000 -207.74375 -199.68556 8.05819 2.47982 -200.23650 699.51036
5245.0000 -207.85339 -199.94411 7.90928 2.47332 -200.36126 706.17964
5250.0000 -207.59339 -200.66178 6.93160 2.46878 -200.44827 709.57672
FREEZING PROCESS: loop number 22 T-loop= 666.00000000000000
main_MD> interactions number 22 at Temperature= 666.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99480 -1.27616 1.00747
force_rgl> df(natom) 0.94168 -0.96113 -2.22422
5255.0000 -208.30250 -201.09784 7.20466 2.49059 -200.03006 706.52448
5260.0000 -209.87620 -202.97122 6.90499 2.35988 -202.53703 644.41036
5265.0000 -208.77009 -201.23538 7.53471 2.38718 -202.01338 653.84077
5270.0000 -209.88395 -204.13759 5.74636 2.33598 -202.99550 637.94716
5275.0000 -209.10743 -201.28889 7.81855 2.37588 -202.23015 645.56002
5280.0000 -209.57256 -202.10203 7.47052 2.46482 -200.52431 707.12799
5285.0000 -209.69766 -203.01613 6.68153 2.36001 -202.53457 673.53286
5290.0000 -209.82206 -202.69979 7.12227 2.37242 -202.29652 669.94260
5295.0000 -210.33850 -202.29328 8.04522 2.35776 -202.57765 662.09916
5300.0000 -209.08244 -201.92544 7.15700 2.38498 -202.05565 660.80287
5305.0000 -209.37228 -201.85916 7.51311 2.42711 -201.24760 697.95016
5310.0000 -209.06414 -201.30441 7.75973 2.41991 -201.38573 688.90887
5315.0000 -210.34918 -202.61888 7.73030 2.40778 -201.61836 685.93823
5320.0000 -207.98928 -201.13393 6.85534 2.36110 -202.51358 656.16637
5325.0000 -210.42090 -203.04126 7.37964 2.39567 -201.85057 688.51782
5330.0000 -209.11639 -202.55753 6.55886 2.34864 -202.75272 649.29953
5335.0000 -208.36104 -200.59193 7.76911 2.36310 -202.47523 650.29142
5340.0000 -208.09895 -201.41136 6.68759 2.44198 -200.96236 690.92169
5345.0000 -207.26045 -200.88439 6.37605 2.44402 -200.92321 669.52748
5350.0000 -209.12695 -202.52419 6.60276 2.43523 -201.09178 682.60635
5355.0000 -210.60309 -202.93856 7.66453 2.35591 -202.61318 617.99367
5360.0000 -208.80967 -202.01724 6.79243 2.36294 -202.47834 649.81262
5365.0000 -209.69570 -201.12922 8.56648 2.41201 -201.53723 696.22341
5370.0000 -208.32492 -201.00714 7.31777 2.47256 -200.37581 731.28117
5375.0000 -208.84875 -200.79586 8.05290 2.47366 -200.35472 703.80216
5380.0000 -210.03375 -201.32150 8.71224 2.40955 -201.58436 661.36403
5385.0000 -208.18317 -201.10534 7.07783 2.44785 -200.84983 685.02731
5390.0000 -208.40035 -200.51773 7.88262 2.45412 -200.72961 697.30026
5395.0000 -208.96239 -201.66568 7.29671 2.41316 -201.51517 674.37453
5400.0000 -208.75525 -201.21525 7.54000 2.45190 -200.77208 721.56598
5405.0000 -209.40265 -202.05738 7.34527 2.42884 -201.21446 697.24943
5410.0000 -211.23300 -205.52966 5.70334 2.27123 -204.23742 602.14502
5415.0000 -209.94071 -202.61430 7.32641 2.26774 -204.30424 614.99902
5420.0000 -210.80841 -203.42568 7.38273 2.27919 -204.08480 634.10856
5425.0000 -210.66979 -203.71708 6.95272 2.29424 -203.79596 608.03637
5430.0000 -211.05369 -203.81976 7.23393 2.31118 -203.47104 629.07392
5435.0000 -209.49460 -202.73196 6.76264 2.35137 -202.70023 641.28723
5440.0000 -210.16318 -203.17312 6.99005 2.33525 -203.00943 639.70717
5445.0000 -210.17391 -201.81847 8.35545 2.33188 -203.07404 661.03003
5450.0000 -208.86586 -201.93521 6.93064 2.37603 -202.22734 670.00198
5455.0000 -208.04908 -201.48814 6.56094 2.43802 -201.03828 706.70269
5460.0000 -209.74686 -201.34357 8.40329 2.41707 -201.44011 668.91416
5465.0000 -208.98430 -201.95832 7.02598 2.40911 -201.59279 674.88182
5470.0000 -209.35493 -201.86363 7.49130 2.37853 -202.17942 659.61336
5475.0000 -209.58262 -203.08014 6.50248 2.33756 -202.96513 633.29210
5480.0000 -208.18597 -201.79578 6.39018 2.38830 -201.99199 660.62376
5485.0000 -209.80991 -201.74463 8.06528 2.42024 -201.37933 683.52945
5490.0000 -208.13110 -200.58313 7.54797 2.41842 -201.41416 692.93720
5495.0000 -208.56850 -201.54943 7.01907 2.38939 -201.97106 668.90654
5500.0000 -208.42050 -201.66602 6.75447 2.37139 -202.31630 624.66404
FREEZING PROCESS: loop number 23 T-loop= 641.00000000000000
main_MD> interactions number 23 at Temperature= 641.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98978 0.13992 1.13093
force_rgl> df(natom) 3.23719 -0.54466 -1.76783
5505.0000 -210.07878 -203.49092 6.58786 2.35405 -202.64880 627.83220
5510.0000 -210.36843 -202.39381 7.97463 2.31869 -203.32715 632.70430
5515.0000 -210.36919 -203.31322 7.05598 2.35341 -202.66113 670.11553
5520.0000 -211.02974 -204.37850 6.65124 2.31366 -203.42359 660.27888
5525.0000 -209.30811 -202.55406 6.75405 2.30893 -203.51421 612.58320
5530.0000 -209.12724 -202.16028 6.96695 2.39409 -201.88093 665.71835
5535.0000 -209.14874 -201.85193 7.29681 2.39669 -201.83109 659.76592
5540.0000 -208.43860 -200.76411 7.67449 2.42008 -201.38250 687.91858
5545.0000 -208.90458 -201.56820 7.33638 2.44084 -200.98431 714.42901
5550.0000 -207.55861 -201.75287 5.80573 2.40143 -201.74015 669.82256
5555.0000 -209.75647 -204.22654 5.52993 2.33190 -203.07371 614.42831
5560.0000 -209.78045 -203.64784 6.13261 2.27877 -204.09284 573.50878
5565.0000 -209.32207 -202.73377 6.58830 2.34801 -202.76470 617.63266
5570.0000 -209.08175 -201.70297 7.37879 2.37842 -202.18152 681.46729
5575.0000 -209.46576 -203.02616 6.43961 2.34340 -202.85315 609.52909
5580.0000 -208.61854 -201.02443 7.59411 2.41767 -201.42867 677.66697
5585.0000 -209.88472 -202.75864 7.12608 2.37621 -202.22382 639.65800
5590.0000 -209.41792 -202.60756 6.81036 2.36258 -202.48528 652.85343
5595.0000 -209.23020 -201.65574 7.57446 2.40280 -201.71394 686.51056
5600.0000 -209.58550 -202.95993 6.62557 2.36179 -202.50042 652.87756
5605.0000 -210.31623 -202.86759 7.44864 2.33884 -202.94063 638.03128
5610.0000 -210.34011 -202.17137 8.16874 2.30878 -203.51725 626.07471
5615.0000 -211.70809 -204.70125 7.00685 2.29652 -203.75238 630.87499
5620.0000 -210.17483 -204.04624 6.12859 2.25544 -204.54016 591.02805
5625.0000 -211.08425 -204.41240 6.67185 2.29629 -203.75664 614.09482
5630.0000 -211.13243 -203.86900 7.26343 2.27006 -204.25989 599.09983
5635.0000 -210.51565 -203.59246 6.92318 2.28985 -203.88022 604.35667
5640.0000 -210.95049 -204.17881 6.77168 2.29519 -203.77784 611.56820
5645.0000 -210.92114 -204.88832 6.03282 2.27150 -204.23230 602.06710
5650.0000 -209.93849 -203.72822 6.21026 2.23229 -204.98427 567.40935
5655.0000 -211.40238 -205.18962 6.21276 2.28233 -204.02449 588.68864
5660.0000 -208.89658 -202.93181 5.96476 2.30131 -203.66053 589.05597
5665.0000 -208.43439 -201.32962 7.10477 2.35959 -202.54261 634.25032
5670.0000 -209.97825 -203.00255 6.97570 2.34685 -202.78690 642.08894
5675.0000 -210.57411 -204.24432 6.32980 2.32360 -203.23298 627.02679
5680.0000 -210.39925 -203.98423 6.41502 2.27941 -204.08042 600.44054
5685.0000 -210.63876 -203.56560 7.07316 2.27722 -204.12241 622.43947
5690.0000 -208.75042 -202.17418 6.57624 2.33697 -202.97641 660.27241
5695.0000 -210.93049 -204.40782 6.52267 2.32348 -203.23528 624.37490
5700.0000 -211.14523 -205.02040 6.12483 2.22594 -205.10601 567.57480
5705.0000 -211.09634 -204.22558 6.87076 2.26800 -204.29942 594.47656
5710.0000 -209.61257 -202.26379 7.34878 2.33173 -203.07690 645.03289
5715.0000 -209.65042 -202.70327 6.94715 2.35762 -202.58033 666.03375
5720.0000 -211.22006 -204.16917 7.05089 2.29234 -203.83256 636.26035
5725.0000 -209.72776 -203.56501 6.16275 2.31274 -203.44126 650.30332
5730.0000 -209.05611 -202.63774 6.41837 2.34696 -202.78494 655.94763
5735.0000 -209.03886 -201.58826 7.45060 2.37157 -202.31291 655.04768
5740.0000 -208.06268 -200.32365 7.73903 2.45461 -200.72009 697.47457
5745.0000 -208.78414 -201.94585 6.83829 2.45627 -200.68819 713.71237
5750.0000 -209.11264 -202.04704 7.06561 2.36469 -202.44473 643.23893
FREEZING PROCESS: loop number 24 T-loop= 616.00000000000000
main_MD> interactions number 24 at Temperature= 616.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29338 2.20284 2.39545
force_rgl> df(natom) 0.58277 -3.68855 -0.98926
5755.0000 -208.67811 -202.68565 5.99247 2.36454 -202.44760 648.58895
5760.0000 -209.60693 -203.32573 6.28120 2.31781 -203.34406 617.53157
5765.0000 -209.70002 -203.16591 6.53411 2.32674 -203.17263 623.45713
5770.0000 -208.86899 -203.66261 5.20638 2.32180 -203.26738 599.67177
5775.0000 -210.67068 -203.34568 7.32501 2.34037 -202.91124 606.26429
5780.0000 -211.28107 -204.88430 6.39677 2.27986 -204.07184 605.38367
5785.0000 -210.39794 -204.39188 6.00606 2.25030 -204.63892 568.95259
5790.0000 -209.90786 -203.31219 6.59567 2.31181 -203.45901 618.25216
5795.0000 -208.24664 -200.85953 7.38711 2.33820 -202.95287 620.77707
5800.0000 -209.47928 -202.27246 7.20683 2.41206 -201.53629 704.59487
5805.0000 -209.08421 -202.78839 6.29582 2.38401 -202.07430 687.50575
5810.0000 -210.43985 -204.91591 5.52394 2.26964 -204.26782 582.50352
5815.0000 -209.20702 -203.17087 6.03615 2.28371 -203.99794 596.05717
5820.0000 -209.68543 -202.61226 7.07317 2.34686 -202.78672 616.99172
5825.0000 -209.78284 -203.78125 6.00160 2.37318 -202.28191 677.41081
5830.0000 -209.82321 -203.39623 6.42698 2.29001 -203.87709 598.31227
5835.0000 -210.13607 -204.01294 6.12313 2.27704 -204.12595 604.65293
5840.0000 -209.90343 -204.61010 5.29333 2.22657 -205.09398 585.61176
5845.0000 -210.34402 -204.87756 5.46647 2.25384 -204.57099 604.23308
5850.0000 -210.61134 -204.83782 5.77352 2.24982 -204.64795 566.31327
5855.0000 -209.58012 -203.34137 6.23875 2.31291 -203.43799 615.44140
5860.0000 -209.60521 -202.80549 6.79972 2.33209 -203.07003 636.55130
5865.0000 -210.63485 -203.36376 7.27109 2.32309 -203.24277 637.17798
5870.0000 -210.20636 -203.60672 6.59964 2.30773 -203.53737 611.32084
5875.0000 -210.57940 -202.11083 8.46857 2.33029 -203.10460 651.14630
5880.0000 -211.53396 -204.03302 7.50094 2.29978 -203.68975 618.68013
5885.0000 -209.81232 -203.65492 6.15740 2.27472 -204.17047 610.09552
5890.0000 -209.37488 -202.86289 6.51198 2.31270 -203.44201 617.86456
5895.0000 -209.95546 -203.39477 6.56069 2.29967 -203.69198 599.51330
5900.0000 -209.77380 -203.54334 6.23046 2.28709 -203.93321 578.32452
5905.0000 -210.23939 -202.30693 7.93247 2.36706 -202.39932 647.45872
5910.0000 -209.73091 -203.46069 6.27023 2.34261 -202.86839 633.62354
5915.0000 -209.64789 -203.65266 5.99523 2.31522 -203.39356 598.78780
5920.0000 -209.62239 -203.43779 6.18461 2.29654 -203.75184 600.14226
5925.0000 -210.88816 -204.84737 6.04079 2.29562 -203.76962 600.21220
5930.0000 -210.59229 -204.29142 6.30087 2.26100 -204.43368 583.27274
5935.0000 -211.10340 -204.86340 6.24000 2.24836 -204.67598 590.77010
5940.0000 -209.67945 -203.55854 6.12091 2.27938 -204.08106 587.18177
5945.0000 -211.40328 -204.16409 7.23919 2.25635 -204.52281 582.61408
5950.0000 -210.48688 -203.77186 6.71502 2.32416 -203.22210 644.65562
5955.0000 -210.96651 -204.79097 6.17555 2.29339 -203.81232 619.19659
5960.0000 -209.31087 -203.48988 5.82099 2.26315 -204.39228 593.58163
5965.0000 -210.02150 -203.39912 6.62238 2.31071 -203.48020 610.09431
5970.0000 -209.64004 -203.09333 6.54671 2.29797 -203.72451 599.89986
5975.0000 -210.16755 -203.24616 6.92139 2.34570 -202.80897 630.94244
5980.0000 -209.41279 -202.48166 6.93113 2.32364 -203.23217 613.13111
5985.0000 -209.56745 -202.28133 7.28612 2.39868 -201.79277 673.45075
5990.0000 -210.13377 -203.75416 6.37961 2.30181 -203.65093 600.44145
5995.0000 -208.84738 -202.40698 6.44040 2.33748 -202.96666 634.91995
6000.0000 -208.60880 -201.55433 7.05448 2.39166 -201.92750 675.06204
FREEZING PROCESS: loop number 25 T-loop= 591.00000000000000
main_MD> interactions number 25 at Temperature= 591.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.03316 -0.59459 2.62886
force_rgl> df(natom) -0.27240 -0.48374 2.74312
6005.0000 -210.63041 -202.96720 7.66321 2.33139 -203.08348 620.35484
6010.0000 -208.83330 -202.48512 6.34818 2.33904 -202.93680 623.33616
6015.0000 -210.37180 -204.06921 6.30259 2.33667 -202.98223 638.24085
6020.0000 -210.97375 -204.16853 6.80521 2.24964 -204.65141 591.54164
6025.0000 -210.75018 -203.38038 7.36980 2.32508 -203.20447 647.14988
6030.0000 -211.05638 -204.93987 6.11651 2.25578 -204.53365 594.96702
6035.0000 -212.21600 -205.88429 6.33171 2.24767 -204.68927 576.95989
6040.0000 -212.82649 -205.53698 7.28951 2.19359 -205.72659 558.81535
6045.0000 -212.19524 -206.58245 5.61279 2.16328 -206.30789 540.71295
6050.0000 -211.73928 -204.17588 7.56340 2.20398 -205.52733 566.02968
6055.0000 -211.11368 -203.44796 7.66571 2.28716 -203.93179 594.72093
6060.0000 -211.75878 -203.49664 8.26215 2.35034 -202.71999 639.97958
6065.0000 -210.20546 -203.84376 6.36170 2.31450 -203.40736 636.40332
6070.0000 -210.66167 -204.15422 6.50744 2.26810 -204.29740 592.25733
6075.0000 -211.75349 -204.98976 6.76373 2.22067 -205.20718 560.00314
6080.0000 -211.13482 -203.74828 7.38654 2.25648 -204.52026 586.16618
6085.0000 -211.26528 -204.61328 6.65201 2.27621 -204.14191 595.32813
6090.0000 -209.98636 -203.47355 6.51280 2.30020 -203.68178 607.15826
6095.0000 -209.70304 -203.56479 6.13825 2.32001 -203.30178 615.01065
6100.0000 -210.25569 -203.68881 6.56688 2.31015 -203.49080 617.37130
6105.0000 -211.04017 -204.53755 6.50261 2.27317 -204.20015 587.86646
6110.0000 -210.95564 -205.05590 5.89974 2.28794 -203.91679 585.62904
6115.0000 -210.82175 -203.79644 7.02531 2.28029 -204.06362 589.11615
6120.0000 -210.86532 -204.21877 6.64655 2.26710 -204.31655 577.32951
6125.0000 -210.14825 -203.55904 6.58921 2.29224 -203.83443 594.30417
6130.0000 -211.21588 -204.54067 6.67522 2.27754 -204.11643 592.11087
6135.0000 -209.45820 -203.76787 5.69033 2.26254 -204.40415 570.00696
6140.0000 -210.46834 -203.85746 6.61088 2.28251 -204.02098 586.13689
6145.0000 -209.95176 -204.39385 5.55791 2.27590 -204.14774 585.06213
6150.0000 -209.95529 -204.25253 5.70276 2.25071 -204.63099 580.29451
6155.0000 -208.83268 -203.05778 5.77490 2.28645 -203.94539 600.15642
6160.0000 -211.29498 -205.63293 5.66205 2.28109 -204.04824 597.78111
6165.0000 -210.87554 -204.36997 6.50557 2.24732 -204.69589 576.49842
6170.0000 -210.61357 -203.53803 7.07555 2.23141 -205.00107 553.83644
6175.0000 -210.66829 -204.65512 6.01316 2.27598 -204.14636 582.87866
6180.0000 -211.56131 -204.95547 6.60583 2.22285 -205.16531 565.29871
6185.0000 -210.58031 -204.86550 5.71481 2.25584 -204.53264 596.49460
6190.0000 -211.44620 -205.27215 6.17405 2.22910 -205.04548 558.40522
6195.0000 -210.61360 -204.71304 5.90056 2.22311 -205.16043 562.75116
6200.0000 -211.51467 -205.23066 6.28401 2.26791 -204.30115 600.04369
6205.0000 -210.96869 -205.51373 5.45496 2.22882 -205.05087 566.44031
6210.0000 -210.95620 -204.63403 6.32217 2.23228 -204.98450 546.30832
6215.0000 -211.45348 -205.37864 6.07484 2.24899 -204.66395 566.79572
6220.0000 -211.15098 -204.82804 6.32295 2.23450 -204.94179 568.79036
6225.0000 -211.65336 -204.87394 6.77942 2.22523 -205.11975 596.05812
6230.0000 -211.45735 -205.26687 6.19048 2.20706 -205.46826 579.27494
6235.0000 -211.14758 -204.71562 6.43196 2.24336 -204.77197 614.65216
6240.0000 -210.77183 -204.60113 6.17071 2.22964 -205.03504 611.50940
6245.0000 -212.06854 -204.09972 7.96881 2.24370 -204.76534 612.46452
6250.0000 -210.34068 -203.97668 6.36400 2.28182 -204.03435 634.02291
FREEZING PROCESS: loop number 26 T-loop= 566.00000000000000
main_MD> interactions number 26 at Temperature= 566.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18702 -2.48524 -1.95778
force_rgl> df(natom) 0.37055 1.38508 -3.68977
6255.0000 -211.98965 -204.73495 7.25470 2.25193 -204.60755 606.86085
6260.0000 -211.95032 -206.58911 5.36121 2.14254 -206.70573 526.34523
6265.0000 -211.63304 -205.13776 6.49528 2.17133 -206.15353 536.17050
6270.0000 -212.22806 -204.76891 7.45914 2.26672 -204.32390 621.82821
6275.0000 -211.80630 -206.08545 5.72084 2.21102 -205.39219 568.74604
6280.0000 -211.76400 -205.51776 6.24624 2.19035 -205.78866 559.49984
6285.0000 -211.47591 -206.30827 5.16763 2.18760 -205.84136 537.37002
6290.0000 -211.73998 -205.72745 6.01253 2.16016 -206.36774 537.27771
6295.0000 -212.28313 -206.00087 6.28226 2.15823 -206.40468 535.09651
6300.0000 -212.45516 -206.63917 5.81600 2.17713 -206.04216 552.79572
6305.0000 -212.28066 -206.56565 5.71501 2.17193 -206.14192 551.38182
6310.0000 -212.50999 -207.04762 5.46237 2.11956 -207.14644 505.99959
6315.0000 -212.67930 -206.78699 5.89231 2.14481 -206.66207 530.03474
6320.0000 -211.64049 -206.24433 5.39617 2.18744 -205.84458 533.43638
6325.0000 -212.15636 -205.85003 6.30633 2.19095 -205.77720 542.36488
6330.0000 -211.60801 -206.38508 5.22293 2.17976 -205.99178 523.80245
6335.0000 -211.33659 -206.06865 5.26793 2.15902 -206.38966 517.89929
6340.0000 -212.15514 -205.79793 6.35721 2.19385 -205.72155 549.64790
6345.0000 -211.45875 -206.08976 5.36898 2.19146 -205.76745 552.31300
6350.0000 -211.98350 -206.30998 5.67352 2.17170 -206.14635 544.15684
6355.0000 -211.02297 -205.06481 5.95816 2.19954 -205.61240 544.73610
6360.0000 -211.05009 -205.23314 5.81695 2.23642 -204.90512 566.83414
6365.0000 -210.71546 -203.77113 6.94433 2.23968 -204.84253 570.87605
6370.0000 -210.65974 -204.03724 6.62250 2.31303 -203.43563 635.20008
6375.0000 -212.03016 -206.05745 5.97271 2.19885 -205.62572 546.33033
6380.0000 -211.26665 -206.35625 4.91040 2.14694 -206.62124 506.25115
6385.0000 -211.88432 -205.98988 5.89444 2.20890 -205.43289 556.63341
6390.0000 -212.71970 -206.98337 5.73632 2.18162 -205.95618 536.78074
6395.0000 -212.06986 -205.89076 6.17910 2.15440 -206.47811 541.06220
6400.0000 -211.88192 -205.39367 6.48825 2.20921 -205.42689 570.77125
6405.0000 -211.86313 -205.23262 6.63051 2.21914 -205.23651 571.65947
6410.0000 -211.71034 -205.50842 6.20192 2.24114 -204.81445 580.74291
6415.0000 -211.73580 -206.31250 5.42330 2.20347 -205.53711 559.94713
6420.0000 -211.03997 -204.26324 6.77673 2.18732 -205.84674 557.88816
6425.0000 -210.01257 -203.13110 6.88147 2.28746 -203.92616 595.20596
6430.0000 -210.35711 -203.90719 6.44992 2.31708 -203.35799 610.35506
6435.0000 -211.80693 -205.42618 6.38074 2.21643 -205.28847 563.55612
6440.0000 -212.44498 -206.56494 5.88004 2.16915 -206.19536 525.86244
6445.0000 -211.71187 -205.66918 6.04270 2.22153 -205.19063 557.03243
6450.0000 -210.84745 -204.87265 5.97480 2.21303 -205.35361 562.50573
6455.0000 -212.15129 -205.63289 6.51841 2.21336 -205.34741 557.54605
6460.0000 -212.93258 -206.61500 6.31758 2.14303 -206.69630 510.95191
6465.0000 -211.49654 -206.13137 5.36517 2.15806 -206.40802 532.18286
6470.0000 -210.91940 -205.11975 5.79965 2.21597 -205.29728 561.86736
6475.0000 -212.35880 -206.24160 6.11720 2.17599 -206.06402 527.32464
6480.0000 -211.63944 -205.80272 5.83672 2.18995 -205.79638 539.19343
6485.0000 -211.13210 -205.60571 5.52639 2.18600 -205.87202 540.21187
6490.0000 -212.46522 -205.83580 6.62941 2.19746 -205.65229 548.88226
6495.0000 -210.61738 -204.60557 6.01181 2.22631 -205.09894 554.54512
6500.0000 -210.95902 -205.06939 5.88963 2.27628 -204.14049 589.84626
FREEZING PROCESS: loop number 27 T-loop= 541.00000000000000
main_MD> interactions number 27 at Temperature= 541.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56987 -0.09595 0.51183
force_rgl> df(natom) 0.24115 1.65070 0.15333
6505.0000 -212.48624 -207.41763 5.06861 2.17792 -206.02711 520.55447
6510.0000 -212.82760 -207.55910 5.26851 2.10959 -207.33768 501.58537
6515.0000 -212.47662 -206.38767 6.08895 2.12911 -206.96334 509.12461
6520.0000 -211.97268 -206.07057 5.90211 2.19380 -205.72253 552.71059
6525.0000 -211.50336 -205.18017 6.32319 2.21058 -205.40070 543.20505
6530.0000 -211.56394 -206.25252 5.31142 2.16641 -206.24785 521.21130
6535.0000 -212.26675 -206.47599 5.79076 2.14576 -206.64384 518.98625
6540.0000 -213.33195 -208.15176 5.18020 2.14397 -206.67830 539.35116
6545.0000 -213.18474 -206.97351 6.21123 2.11439 -207.24568 509.18416
6550.0000 -212.16861 -206.45029 5.71832 2.16499 -206.27503 546.17343
6555.0000 -211.61957 -206.11173 5.50784 2.15034 -206.55603 503.40210
6560.0000 -211.55819 -204.37391 7.18429 2.24447 -204.75067 579.23815
6565.0000 -212.30970 -205.40168 6.90802 2.23682 -204.89738 568.54810
6570.0000 -212.30240 -206.09373 6.20867 2.21674 -205.28256 554.74987
6575.0000 -211.86302 -206.87195 4.99107 2.15349 -206.49557 517.81707
6580.0000 -211.50147 -205.08797 6.41350 2.18739 -205.84553 549.91972
6585.0000 -212.43715 -206.51024 5.92691 2.16611 -206.25368 522.79245
6590.0000 -211.99344 -206.18658 5.80686 2.14637 -206.63215 533.33574
6595.0000 -212.27707 -207.10354 5.17353 2.18767 -205.84009 578.04796
6600.0000 -212.51803 -206.90140 5.61664 2.12052 -207.12812 521.48467
6605.0000 -211.60355 -206.42018 5.18337 2.14963 -206.56976 543.87601
6610.0000 -210.75269 -204.29800 6.45469 2.23747 -204.88491 606.25458
6615.0000 -210.85287 -205.21399 5.63888 2.23253 -204.97963 576.54433
6620.0000 -211.95601 -205.45981 6.49621 2.21847 -205.24928 557.96353
6625.0000 -212.45713 -206.30182 6.15531 2.22199 -205.18174 571.93522
6630.0000 -213.45333 -208.63659 4.81675 2.10620 -207.40262 498.50380
6635.0000 -213.04470 -207.50916 5.53555 2.11502 -207.23359 492.35280
6640.0000 -212.65957 -206.84656 5.81301 2.11348 -207.26315 504.44769
6645.0000 -212.27919 -205.99437 6.28482 2.12389 -207.06343 518.55694
6650.0000 -212.71104 -207.07622 5.63482 2.13814 -206.79006 553.96810
6655.0000 -212.92049 -207.26999 5.65050 2.11968 -207.14408 531.62077
6660.0000 -213.10790 -207.24649 5.86140 2.11705 -207.19467 532.67292
6665.0000 -212.92619 -207.77428 5.15190 2.11623 -207.21029 517.36108
6670.0000 -212.51502 -206.51240 6.00262 2.16183 -206.33562 545.63103
6675.0000 -213.37865 -206.84538 6.53326 2.13947 -206.76456 535.60360
6680.0000 -212.72668 -206.89536 5.83131 2.12720 -206.99984 532.63411
6685.0000 -212.17973 -206.59357 5.58616 2.14552 -206.64859 546.09184
6690.0000 -214.57607 -208.01531 6.56076 2.11013 -207.32730 535.53387
6695.0000 -212.71307 -207.30516 5.40792 2.10524 -207.42107 518.96292
6700.0000 -213.33728 -207.40492 5.93235 2.10944 -207.34048 522.61815
6705.0000 -213.07903 -206.63902 6.44001 2.12550 -207.03246 562.92587
6710.0000 -213.78378 -208.57964 5.20414 2.11006 -207.32858 548.77561
6715.0000 -214.65494 -208.28792 6.36701 2.06318 -208.22789 514.81718
6720.0000 -213.70799 -208.00210 5.70590 2.07443 -208.01197 531.13562
6725.0000 -212.38340 -206.00452 6.37888 2.14566 -206.64588 579.36537
6730.0000 -213.15739 -207.59360 5.56379 2.16701 -206.23639 572.50566
6735.0000 -213.13196 -207.43600 5.69596 2.12105 -207.11795 537.16497
6740.0000 -213.73500 -207.94096 5.79404 2.10352 -207.45407 534.09734
6745.0000 -213.72600 -208.49853 5.22747 2.06931 -208.11031 499.28858
6750.0000 -213.35075 -208.17846 5.17229 2.07144 -208.06933 501.03483
FREEZING PROCESS: loop number 28 T-loop= 516.00000000000000
main_MD> interactions number 28 at Temperature= 516.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.80617 -1.31405 0.11646
force_rgl> df(natom) -1.77425 0.14253 0.45359
6755.0000 -212.31735 -207.13766 5.17969 2.06896 -208.11700 502.78374
6760.0000 -213.37418 -207.09442 6.27976 2.09664 -207.58596 510.68725
6765.0000 -212.62783 -206.13619 6.49165 2.12248 -207.09045 526.17769
6770.0000 -212.12778 -206.51884 5.60894 2.16414 -206.29144 533.33717
6775.0000 -212.87216 -206.36841 6.50374 2.15370 -206.49166 521.07411
6780.0000 -211.22666 -206.25455 4.97211 2.14939 -206.57429 523.59537
6785.0000 -211.63336 -205.92366 5.70971 2.22253 -205.17150 548.55869
6790.0000 -211.95664 -207.40946 4.54718 2.16146 -206.34271 511.46197
6795.0000 -212.28975 -207.15698 5.13277 2.12117 -207.11561 501.16867
6800.0000 -213.24034 -208.00510 5.23524 2.10504 -207.42488 511.46569
6805.0000 -213.29060 -207.65320 5.63740 2.11008 -207.32830 519.45705
6810.0000 -213.37752 -208.05548 5.32203 2.09069 -207.70011 508.42667
6815.0000 -213.40744 -208.10663 5.30081 2.07335 -208.03278 487.36293
6820.0000 -213.07306 -206.87713 6.19594 2.10233 -207.47695 495.67159
6825.0000 -213.08229 -206.92521 6.15709 2.12240 -207.09191 527.27217
6830.0000 -214.07096 -207.96668 6.10428 2.11457 -207.24218 507.96954
6835.0000 -211.82222 -206.29888 5.52334 2.12171 -207.10517 512.76992
6840.0000 -212.41730 -206.46089 5.95641 2.17426 -206.09726 546.26189
6845.0000 -212.84714 -208.00161 4.84553 2.11459 -207.24171 490.61561
6850.0000 -213.64200 -208.31551 5.32648 2.04478 -208.58074 481.40639
6855.0000 -212.47416 -207.25118 5.22297 2.08447 -207.81949 504.71659
6860.0000 -213.16055 -207.79841 5.36214 2.07749 -207.95328 504.20980
6865.0000 -213.20284 -207.80381 5.39903 2.08987 -207.71587 507.51806
6870.0000 -213.68937 -208.48192 5.20745 2.08327 -207.84244 501.40504
6875.0000 -212.93826 -207.95721 4.98105 2.07177 -208.06301 492.15189
6880.0000 -213.19234 -207.22593 5.96640 2.11057 -207.31890 504.18476
6885.0000 -212.56940 -206.08567 6.48373 2.15973 -206.37599 551.05341
6890.0000 -213.62592 -208.49189 5.13402 2.10072 -207.50773 516.63133
6895.0000 -213.69779 -208.35855 5.33924 2.05063 -208.46858 481.62744
6900.0000 -214.09434 -208.58656 5.50777 2.06211 -208.24827 502.94330
6905.0000 -213.52465 -207.35147 6.17318 2.07012 -208.09467 498.43073
6910.0000 -213.56314 -208.08208 5.48106 2.09602 -207.59796 521.61972
6915.0000 -212.62317 -206.74253 5.88064 2.11740 -207.18793 524.59282
6920.0000 -212.90426 -206.95928 5.94498 2.12216 -207.09649 539.39044
6925.0000 -212.33832 -207.46634 4.87198 2.11671 -207.20111 530.94914
6930.0000 -212.39004 -206.52934 5.86070 2.11880 -207.16110 524.27119
6935.0000 -212.25886 -205.91424 6.34462 2.16905 -206.19722 570.58851
6940.0000 -212.53396 -207.00486 5.52910 2.14187 -206.71845 538.93195
6945.0000 -212.27383 -205.97859 6.29523 2.13332 -206.88245 538.12381
6950.0000 -212.13967 -206.01317 6.12651 2.19910 -205.62084 565.49300
6955.0000 -213.22337 -207.28626 5.93711 2.11966 -207.14452 523.76376
6960.0000 -212.68249 -206.17162 6.51087 2.10628 -207.40124 513.65975
6965.0000 -214.16959 -209.14945 5.02014 2.08274 -207.85265 500.12853
6970.0000 -212.27403 -206.71293 5.56110 2.08800 -207.75185 506.20696
6975.0000 -212.75044 -206.68677 6.06367 2.12144 -207.11035 520.65609
6980.0000 -212.58042 -206.47008 6.11034 2.16361 -206.30150 562.32312
6985.0000 -213.00656 -207.49424 5.51231 2.13872 -206.77895 517.52417
6990.0000 -211.14432 -205.39329 5.75104 2.14290 -206.69887 501.37830
6995.0000 -211.87465 -206.82941 5.04524 2.19466 -205.70607 539.91760
7000.0000 -212.85348 -207.86212 4.99136 2.09603 -207.59774 479.18327
FREEZING PROCESS: loop number 29 T-loop= 491.00000000000000
main_MD> interactions number 29 at Temperature= 491.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25514 0.79009 -3.53976
force_rgl> df(natom) -0.92713 -2.15254 -2.29860
7005.0000 -212.73648 -207.25998 5.47650 2.09920 -207.53693 482.27498
7010.0000 -213.31088 -208.52310 4.78778 2.07712 -207.96038 470.21705
7015.0000 -213.95513 -208.24817 5.70696 2.04665 -208.54490 445.80707
7020.0000 -212.59371 -206.80872 5.78498 2.09605 -207.59737 493.98161
7025.0000 -212.18598 -207.26257 4.92342 2.10965 -207.33648 507.65177
7030.0000 -213.19123 -208.21702 4.97420 2.09113 -207.69171 493.01244
7035.0000 -213.64951 -208.18974 5.45977 2.07516 -207.99804 500.85200
7040.0000 -213.27707 -208.24751 5.02956 2.05660 -208.35401 479.26731
7045.0000 -213.10584 -207.88148 5.22436 2.05523 -208.38031 476.94463
7050.0000 -213.29997 -207.47781 5.82216 2.08263 -207.85474 494.49531
7055.0000 -213.51967 -207.66729 5.85238 2.11479 -207.23798 515.09317
7060.0000 -213.18539 -207.37527 5.81012 2.08990 -207.71529 489.30493
7065.0000 -212.83202 -206.78307 6.04895 2.10665 -207.39403 477.83726
7070.0000 -212.00283 -206.57720 5.42563 2.15981 -206.37451 526.68495
7075.0000 -212.57160 -207.17074 5.40086 2.13434 -206.86290 511.78406
7080.0000 -213.74393 -207.18033 6.56360 2.14205 -206.71514 515.82441
7085.0000 -213.38942 -207.89852 5.49090 2.07904 -207.92371 502.61311
7090.0000 -213.24757 -207.90167 5.34591 2.07943 -207.91621 511.23787
7095.0000 -213.13319 -208.22475 4.90845 2.07901 -207.92415 501.25263
7100.0000 -213.41193 -207.71164 5.70030 2.07135 -208.07111 503.31454
7105.0000 -213.36660 -208.15082 5.21578 2.11330 -207.26648 523.77203
7110.0000 -212.44961 -207.47932 4.97029 2.09264 -207.66276 511.75801
7115.0000 -213.41117 -208.13885 5.27233 2.07679 -207.96680 503.44479
7120.0000 -214.18452 -209.40809 4.77643 2.00364 -209.36985 450.38302
7125.0000 -214.20982 -208.95936 5.25046 2.00495 -209.34472 443.20539
7130.0000 -214.07785 -208.59197 5.48588 2.04626 -208.55235 484.46218
7135.0000 -214.17166 -209.14006 5.03160 2.02402 -208.97892 476.15744
7140.0000 -214.54715 -208.90240 5.64476 2.01833 -209.08805 467.59312
7145.0000 -214.55248 -208.89510 5.65738 2.01077 -209.23306 476.18508
7150.0000 -214.07481 -209.27329 4.80152 2.05087 -208.46402 492.97469
7155.0000 -213.63926 -208.84127 4.79799 2.00723 -209.30098 459.90585
7160.0000 -212.80012 -207.67021 5.12992 2.08017 -207.90196 492.86027
7165.0000 -212.71039 -207.19722 5.51317 2.10880 -207.35273 516.64547
7170.0000 -212.78783 -208.00478 4.78305 2.08220 -207.86295 507.42709
7175.0000 -213.24059 -208.12976 5.11083 2.09908 -207.53931 523.07027
7180.0000 -213.47741 -208.38542 5.09199 2.05958 -208.29680 492.80169
7185.0000 -213.28208 -207.35080 5.93128 2.07813 -207.94108 509.86978
7190.0000 -213.13395 -207.55725 5.57670 2.13764 -206.79957 554.27328
7195.0000 -214.46075 -209.16493 5.29582 2.05126 -208.45645 496.07523
7200.0000 -213.80780 -209.09250 4.71530 2.03517 -208.76503 481.62382
7205.0000 -214.39114 -208.56725 5.82390 2.04677 -208.54249 482.93152
7210.0000 -214.16804 -208.31346 5.85458 2.08644 -207.78159 515.53776
7215.0000 -213.17991 -207.99202 5.18788 2.06086 -208.27226 490.52075
7220.0000 -213.33894 -207.66106 5.67789 2.05582 -208.36896 487.42530
7225.0000 -213.85764 -207.69976 6.15787 2.07107 -208.07641 500.68882
7230.0000 -214.22421 -208.77863 5.44558 2.06532 -208.18673 492.42135
7235.0000 -213.40482 -208.23367 5.17115 2.01771 -209.09997 460.65404
7240.0000 -213.45333 -208.03375 5.41958 2.07176 -208.06330 504.84814
7245.0000 -213.71373 -208.43921 5.27453 2.06939 -208.10870 499.58322
7250.0000 -213.96542 -208.58519 5.38024 2.05999 -208.28893 501.22559
FREEZING PROCESS: loop number 30 T-loop= 466.00000000000000
main_MD> interactions number 30 at Temperature= 466.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.54088 -2.01227 -1.86776
force_rgl> df(natom) 0.15647 0.03400 -1.36291
7255.0000 -214.63227 -208.97508 5.65720 2.03144 -208.83667 477.68948
7260.0000 -213.92948 -208.83957 5.08991 2.04316 -208.61177 466.00830
7265.0000 -214.07426 -209.46721 4.60705 2.00171 -209.40686 433.03936
7270.0000 -214.30876 -209.19818 5.11058 2.03473 -208.77353 457.15055
7275.0000 -213.83398 -209.08251 4.75147 2.02428 -208.97392 452.65062
7280.0000 -213.60495 -207.64896 5.95598 2.04197 -208.63458 465.53442
7285.0000 -213.46231 -208.89507 4.56723 2.05821 -208.32320 492.27037
7290.0000 -213.21620 -208.87096 4.34524 2.00955 -209.25647 446.93524
7295.0000 -214.11979 -209.57761 4.54217 2.00941 -209.25907 449.27178
7300.0000 -214.00079 -209.25798 4.74281 1.99481 -209.53920 437.75923
7305.0000 -213.43304 -208.38448 5.04856 2.04009 -208.67074 467.66741
7310.0000 -213.79131 -208.31280 5.47851 2.04615 -208.55455 472.14245
7315.0000 -214.12265 -208.58726 5.53539 2.06302 -208.23094 490.91729
7320.0000 -214.68913 -208.71723 5.97190 2.03661 -208.73738 487.87871
7325.0000 -214.33347 -209.56294 4.77053 2.00006 -209.43855 459.15585
7330.0000 -215.19994 -209.87490 5.32504 1.99100 -209.61230 459.71892
7335.0000 -215.03153 -210.68323 4.34830 1.98105 -209.80317 449.22858
7340.0000 -214.29594 -209.50727 4.78867 1.94041 -210.58266 421.59425
7345.0000 -214.27762 -208.43259 5.84503 2.00560 -209.33217 458.53617
7350.0000 -213.74714 -208.21185 5.53529 2.05816 -208.32410 496.28733
7355.0000 -213.94121 -208.41745 5.52375 2.05448 -208.39463 492.21664
7360.0000 -214.62890 -209.16655 5.46235 2.02221 -209.01356 471.09778
7365.0000 -213.90454 -209.31250 4.59204 1.99973 -209.44474 457.69597
7370.0000 -215.04406 -210.13704 4.90702 2.01419 -209.16750 443.23503
7375.0000 -214.74655 -209.79573 4.95082 1.98528 -209.72204 429.81851
7380.0000 -214.20615 -209.30921 4.89694 1.99574 -209.52135 452.44702
7385.0000 -215.39917 -210.28417 5.11500 1.99340 -209.56613 443.86455
7390.0000 -214.30879 -209.17874 5.13005 1.98832 -209.66365 439.76068
7395.0000 -213.64070 -208.46998 5.17071 2.00189 -209.40343 452.17658
7400.0000 -213.66406 -208.69493 4.96913 2.05298 -208.42346 496.93673
7405.0000 -214.04860 -208.73808 5.31051 2.00861 -209.27441 462.31874
7410.0000 -214.58381 -208.46117 6.12264 2.03219 -208.82221 473.05937
7415.0000 -214.93587 -209.71428 5.22159 2.03737 -208.72291 477.45420
7420.0000 -214.29831 -209.47091 4.82740 2.01609 -209.13096 463.19164
7425.0000 -213.49707 -208.69850 4.79857 2.01409 -209.16931 453.57399
7430.0000 -213.07728 -207.62357 5.45370 2.09064 -207.70113 501.04290
7435.0000 -212.77347 -207.59834 5.17512 2.08452 -207.81852 485.26941
7440.0000 -213.14923 -208.24209 4.90714 2.10400 -207.44493 482.67487
7445.0000 -213.51484 -208.03195 5.48289 2.07384 -208.02341 471.83737
7450.0000 -213.38669 -208.31749 5.06920 2.09434 -207.63020 481.91350
7455.0000 -212.85351 -208.24842 4.60509 2.06886 -208.11890 472.73307
7460.0000 -214.03867 -208.61215 5.42652 2.07219 -208.05501 502.05685
7465.0000 -213.86702 -209.29616 4.57086 2.01323 -209.18581 456.00234
7470.0000 -214.60715 -210.29786 4.30929 1.99014 -209.62869 440.09900
7475.0000 -214.19519 -208.37488 5.82031 2.03434 -208.78100 465.16642
7480.0000 -214.17183 -208.54613 5.62569 2.04186 -208.63671 482.21526
7485.0000 -214.25244 -209.52447 4.72796 2.01005 -209.24695 450.49257
7490.0000 -214.68250 -209.83175 4.85075 1.97753 -209.87052 429.74398
7495.0000 -212.85578 -208.54133 4.31445 1.99426 -209.54975 434.88434
7500.0000 -213.15479 -207.82925 5.32554 2.05684 -208.34946 462.35785
FREEZING PROCESS: loop number 31 T-loop= 441.00000000000000
main_MD> interactions number 31 at Temperature= 441.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.34165 4.84073 2.39225
force_rgl> df(natom) -0.33779 -2.59140 4.02651
7505.0000 -213.82205 -209.09060 4.73144 2.05414 -208.40119 465.39219
7510.0000 -213.37224 -208.12416 5.24808 2.03743 -208.72163 456.12437
7515.0000 -213.09942 -208.78111 4.31831 2.04705 -208.53720 461.93455
7520.0000 -213.97999 -208.88102 5.09898 2.03296 -208.80749 449.26838
7525.0000 -214.21808 -209.13829 5.07979 2.00441 -209.35498 446.01032
7530.0000 -214.76368 -210.33497 4.42871 1.98957 -209.63961 434.35233
7535.0000 -214.23732 -210.27386 3.96346 1.95887 -210.22844 405.00400
7540.0000 -214.77764 -210.46629 4.31135 1.95925 -210.22121 411.16905
7545.0000 -215.18017 -211.00552 4.17465 1.92934 -210.79491 393.80394
7550.0000 -214.13922 -209.44808 4.69114 1.95743 -210.25616 417.70356
7555.0000 -214.08099 -209.69057 4.39042 1.96677 -210.07691 424.23755
7560.0000 -215.17645 -211.07298 4.10347 1.93758 -210.63682 398.86291
7565.0000 -214.85915 -209.95879 4.90036 1.94385 -210.51653 403.98335
7570.0000 -214.16827 -209.34226 4.82601 1.99784 -209.48101 445.99380
7575.0000 -214.70870 -210.00002 4.70868 1.99163 -209.60007 428.24027
7580.0000 -214.60555 -210.40545 4.20010 1.95986 -210.20945 404.30602
7585.0000 -214.82922 -209.81923 5.00999 1.96663 -210.07963 413.58183
7590.0000 -214.82150 -210.30053 4.52097 1.97356 -209.94669 436.27646
7595.0000 -215.27071 -210.66433 4.60638 1.93377 -210.70999 401.85728
7600.0000 -214.01907 -210.05488 3.96419 1.94212 -210.54980 410.07548
7605.0000 -215.21694 -209.43805 5.77889 1.98193 -209.78613 439.92881
7610.0000 -214.71425 -210.52933 4.18492 1.97354 -209.94711 432.99019
7615.0000 -214.86871 -211.03098 3.83774 1.94383 -210.51697 416.18849
7620.0000 -215.33168 -210.62505 4.70663 1.93148 -210.75379 405.51208
7625.0000 -214.79493 -210.17656 4.61838 1.94132 -210.56505 407.22871
7630.0000 -213.81221 -208.30765 5.50456 1.98618 -209.70468 432.99768
7635.0000 -215.72544 -210.03346 5.69198 1.97999 -209.82352 443.09524
7640.0000 -215.92104 -210.69051 5.23053 1.94769 -210.44290 419.13906
7645.0000 -215.46823 -210.87391 4.59432 1.90994 -211.16702 392.47648
7650.0000 -215.16422 -210.83394 4.33028 1.92107 -210.95349 406.80620
7655.0000 -214.89906 -210.20443 4.69464 1.94138 -210.56395 423.92397
7660.0000 -215.66869 -210.09595 5.57275 1.97139 -209.98830 444.86963
7665.0000 -214.85893 -209.91250 4.94643 1.95018 -210.39515 423.24879
7670.0000 -214.38107 -209.21166 5.16941 1.98057 -209.81228 453.03152
7675.0000 -214.64410 -209.29786 5.34624 1.99161 -209.60054 453.24851
7680.0000 -213.90152 -209.02550 4.87601 2.02554 -208.94980 474.38560
7685.0000 -215.00197 -208.94731 6.05466 2.02073 -209.04193 470.81483
7690.0000 -214.15110 -209.89385 4.25725 2.00545 -209.33513 457.75970
7695.0000 -214.33573 -210.40271 3.93302 1.96544 -210.10244 421.06080
7700.0000 -213.98006 -209.03668 4.94338 1.98829 -209.66428 445.40120
7705.0000 -214.42343 -209.82057 4.60286 1.98058 -209.81211 441.74212
7710.0000 -214.43119 -209.72751 4.70368 1.96377 -210.13457 428.14821
7715.0000 -214.41767 -209.91254 4.50513 1.98071 -209.80962 434.81806
7720.0000 -214.50886 -209.42719 5.08167 1.99143 -209.60395 438.27854
7725.0000 -214.73241 -209.44545 5.28697 1.99659 -209.50508 439.33916
7730.0000 -214.12727 -209.29992 4.82736 1.96276 -210.15397 426.38214
7735.0000 -213.25454 -208.32085 4.93368 2.02221 -209.01363 464.51872
7740.0000 -213.68077 -208.96323 4.71754 2.06009 -208.28716 480.04967
7745.0000 -213.39562 -209.47578 3.91984 1.99810 -209.47604 438.82706
7750.0000 -215.60128 -209.87380 5.72748 1.97235 -209.96997 428.64198
FREEZING PROCESS: loop number 32 T-loop= 416.00000000000000
main_MD> interactions number 32 at Temperature= 416.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.18044 0.26167 2.46501
force_rgl> df(natom) -0.36576 -2.05803 -2.62419
7755.0000 -214.98344 -209.94714 5.03630 1.96966 -210.02154 436.23823
7760.0000 -214.64096 -209.50489 5.13608 1.98147 -209.79502 446.19187
7765.0000 -214.78024 -210.29932 4.48092 1.98885 -209.65356 437.96550
7770.0000 -214.46484 -209.14004 5.32480 1.97570 -209.90568 409.49475
7775.0000 -214.18440 -209.42447 4.75992 2.00495 -209.34476 443.05308
7780.0000 -214.29165 -209.78183 4.50982 1.99016 -209.62833 435.29393
7785.0000 -214.80930 -210.31201 4.49729 1.96285 -210.15221 418.82894
7790.0000 -214.67146 -210.06138 4.61008 1.97709 -209.87901 430.98726
7795.0000 -213.77856 -208.79277 4.98579 2.00042 -209.43153 451.27204
7800.0000 -214.66999 -209.95032 4.71968 2.00673 -209.31058 455.50866
7805.0000 -215.10554 -210.41358 4.69196 1.98189 -209.78695 442.86751
7810.0000 -214.67502 -210.85608 3.81894 1.96345 -210.14057 422.85804
7815.0000 -215.09639 -210.40789 4.68850 1.92362 -210.90458 390.48715
7820.0000 -214.93550 -210.66591 4.26958 1.92180 -210.93949 385.67576
7825.0000 -215.10932 -210.46957 4.63975 1.92402 -210.89690 390.51769
7830.0000 -215.40883 -210.66975 4.73908 1.95707 -210.26308 420.78167
7835.0000 -214.84026 -210.06791 4.77235 1.94115 -210.56846 409.59403
7840.0000 -215.02923 -210.70003 4.32920 1.95780 -210.24907 419.18491
7845.0000 -214.65485 -210.36639 4.28846 1.94041 -210.58267 408.96585
7850.0000 -214.67770 -210.75441 3.92329 1.94542 -210.48653 410.14939
7855.0000 -214.86564 -210.89575 3.96989 1.90302 -211.29969 375.40441
7860.0000 -215.37439 -210.89708 4.47732 1.92633 -210.85257 393.29057
7865.0000 -214.75015 -210.81100 3.93915 1.91493 -211.07120 384.57896
7870.0000 -214.29905 -210.32253 3.97652 1.94478 -210.49884 409.28256
7875.0000 -214.56728 -210.01720 4.55008 1.96498 -210.11131 423.17844
7880.0000 -214.81283 -210.22466 4.58817 1.94473 -210.49962 414.45810
7885.0000 -214.28683 -209.12315 5.16369 1.99513 -209.53308 454.75501
7890.0000 -215.98229 -211.03441 4.94788 1.95984 -210.20989 422.21008
7895.0000 -214.43719 -210.76761 3.66958 1.92011 -210.97184 390.61354
7900.0000 -214.41600 -210.20068 4.21532 1.94569 -210.48136 400.24742
7905.0000 -215.27197 -210.51069 4.76128 1.95778 -210.24944 410.30926
7910.0000 -214.35069 -209.77710 4.57359 1.96430 -210.12442 410.82321
7915.0000 -214.69832 -209.65135 5.04696 1.96987 -210.01748 416.03063
7920.0000 -213.73810 -208.90349 4.83461 1.99768 -209.48412 442.62008
7925.0000 -214.60710 -209.87338 4.73373 2.00089 -209.42254 432.18816
7930.0000 -215.28609 -210.61556 4.67053 1.96215 -210.16564 415.59255
7935.0000 -215.53088 -211.01696 4.51391 1.91447 -211.08003 395.37301
7940.0000 -215.12264 -210.88069 4.24194 1.91216 -211.12444 392.09641
7945.0000 -215.73372 -211.42178 4.31193 1.90532 -211.25556 394.13941
7950.0000 -215.71752 -211.44879 4.26872 1.87313 -211.87300 366.30008
7955.0000 -215.72867 -211.44330 4.28537 1.92084 -210.95789 402.56936
7960.0000 -215.24039 -210.08598 5.15442 1.92769 -210.82658 407.62029
7965.0000 -214.87549 -210.64366 4.23183 1.96101 -210.18740 427.96534
7970.0000 -215.50681 -210.74385 4.76296 1.92373 -210.90253 400.78946
7975.0000 -214.79388 -210.99928 3.79460 1.92670 -210.84558 403.17030
7980.0000 -214.98190 -210.72244 4.25946 1.92165 -210.94244 400.54992
7985.0000 -215.38766 -210.90457 4.48309 1.93708 -210.64640 417.43883
7990.0000 -215.50157 -210.83561 4.66596 1.90260 -211.30787 392.77536
7995.0000 -214.99293 -210.57526 4.41767 1.92962 -210.78955 397.80500
8000.0000 -215.26561 -211.13475 4.13086 1.91528 -211.06453 384.00336
FREEZING PROCESS: loop number 33 T-loop= 391.00000000000000
main_MD> interactions number 33 at Temperature= 391.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24180 3.02817 -0.85590
force_rgl> df(natom) -1.66377 -0.28810 1.34979
8005.0000 -215.50416 -211.35708 4.14708 1.92988 -210.78449 388.14190
8010.0000 -215.17013 -211.24577 3.92436 1.88425 -211.65979 367.34287
8015.0000 -216.29020 -211.37666 4.91354 1.89423 -211.46838 384.38086
8020.0000 -215.04494 -211.08489 3.96005 1.90089 -211.34060 386.50622
8025.0000 -215.48889 -211.35459 4.13430 1.89338 -211.48466 372.93451
8030.0000 -215.63918 -211.43017 4.20900 1.90340 -211.29241 382.62021
8035.0000 -216.02717 -211.89546 4.13172 1.88157 -211.71114 368.97128
8040.0000 -215.80274 -211.94629 3.85644 1.87188 -211.89693 366.81293
8045.0000 -214.98682 -211.56234 3.42448 1.86464 -212.03583 362.09612
8050.0000 -216.34326 -212.64352 3.69974 1.86923 -211.94790 363.28772
8055.0000 -215.99929 -212.01877 3.98051 1.85538 -212.21349 355.05819
8060.0000 -215.48839 -211.57498 3.91341 1.88454 -211.65420 376.67955
8065.0000 -214.83733 -209.96872 4.86862 1.93450 -210.69591 411.89099
8070.0000 -215.16693 -211.26506 3.90186 1.91628 -211.04538 393.13810
8075.0000 -214.73329 -210.57982 4.15347 1.92361 -210.90472 408.17673
8080.0000 -215.06891 -211.09125 3.97766 1.91424 -211.08461 396.92143
8085.0000 -214.89657 -210.22790 4.66867 1.93090 -210.76491 412.07563
8090.0000 -214.78527 -210.53648 4.24879 1.94060 -210.57902 414.95764
8095.0000 -214.65209 -210.40758 4.24451 1.93803 -210.62822 407.13192
8100.0000 -215.00185 -211.16768 3.83417 1.93542 -210.67822 395.93264
8105.0000 -214.71632 -210.62930 4.08701 1.92417 -210.89412 392.03113
8110.0000 -215.04295 -210.48688 4.55607 1.93301 -210.72446 404.64653
8115.0000 -215.17161 -211.01993 4.15168 1.92749 -210.83047 398.09320
8120.0000 -215.31654 -210.58507 4.73147 1.90596 -211.24329 371.89198
8125.0000 -214.34965 -210.55567 3.79398 1.92391 -210.89897 383.98474
8130.0000 -215.31336 -211.25241 4.06094 1.91708 -211.02998 379.14909
8135.0000 -214.55271 -210.41759 4.13512 1.91739 -211.02412 382.04009
8140.0000 -214.81061 -210.09069 4.71993 1.95196 -210.36102 409.33941
8145.0000 -215.69174 -210.82166 4.87007 1.94842 -210.42896 421.85124
8150.0000 -215.77202 -211.69135 4.08067 1.91468 -211.07600 393.75540
8155.0000 -215.25821 -211.86745 3.39076 1.88147 -211.71309 362.32508
8160.0000 -215.54746 -210.89647 4.65100 1.88839 -211.58023 367.78385
8165.0000 -214.67456 -210.17314 4.50142 1.93729 -210.64249 411.62453
8170.0000 -214.40229 -210.13009 4.27220 1.96311 -210.14710 431.69668
8175.0000 -214.78441 -210.66706 4.11734 1.96658 -210.08064 419.99828
8180.0000 -215.04995 -211.24965 3.80030 1.92221 -210.93168 397.58750
8185.0000 -215.48898 -211.73495 3.75403 1.88169 -211.70879 368.08194
8190.0000 -216.02698 -211.52828 4.49869 1.88854 -211.57751 370.79020
8195.0000 -214.98026 -211.12107 3.85920 1.90034 -211.35103 384.49193
8200.0000 -214.80101 -210.24035 4.56066 1.91813 -211.00989 395.67145
8205.0000 -215.30924 -210.71504 4.59420 1.94580 -210.47918 415.26049
8210.0000 -215.12010 -210.95728 4.16281 1.94644 -210.46693 417.00563
8215.0000 -215.74064 -211.34970 4.39095 1.91965 -210.98082 400.65813
8220.0000 -215.80100 -211.61087 4.19013 1.91190 -211.12932 397.60026
8225.0000 -216.01839 -212.14898 3.86940 1.88164 -211.70986 371.89527
8230.0000 -215.71472 -211.66264 4.05208 1.89643 -211.42606 384.86918
8235.0000 -215.75431 -211.30086 4.45345 1.90678 -211.22755 392.29428
8240.0000 -215.40277 -210.79388 4.60889 1.91934 -210.98665 395.90372
8245.0000 -215.65656 -210.98055 4.67600 1.93065 -210.76971 398.36067
8250.0000 -215.41866 -211.51712 3.90154 1.89252 -211.50117 371.02354
FREEZING PROCESS: loop number 34 T-loop= 366.00000000000000
main_MD> interactions number 34 at Temperature= 366.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.43854 -0.81110 0.86891
force_rgl> df(natom) 0.73409 0.87858 -1.23638
8255.0000 -215.81711 -211.40054 4.41657 1.89869 -211.38273 379.04327
8260.0000 -214.88824 -210.64199 4.24625 1.91419 -211.08550 388.36526
8265.0000 -215.64676 -211.51524 4.13152 1.88224 -211.69826 359.38790
8270.0000 -215.43941 -212.04103 3.39838 1.87297 -211.87612 348.99813
8275.0000 -215.46400 -211.41456 4.04943 1.86557 -212.01801 345.09103
8280.0000 -215.00556 -211.17299 3.83258 1.89614 -211.43160 372.49536
8285.0000 -215.49573 -211.94317 3.55256 1.89311 -211.48978 370.86135
8290.0000 -215.87014 -211.79044 4.07969 1.86678 -211.99487 359.04288
8295.0000 -216.18247 -212.47536 3.70711 1.85442 -212.23180 350.82311
8300.0000 -215.42662 -211.28081 4.14581 1.85307 -212.25778 347.78490
8305.0000 -215.67386 -211.51245 4.16141 1.89984 -211.36068 391.41679
8310.0000 -216.05681 -212.57026 3.48654 1.87719 -211.79512 365.38704
8315.0000 -215.96769 -212.83208 3.13561 1.83078 -212.68520 327.27827
8320.0000 -215.85967 -211.50156 4.35811 1.84718 -212.37078 346.69706
8325.0000 -216.24616 -212.01995 4.22621 1.86352 -212.05724 353.36294
8330.0000 -215.91637 -212.18226 3.73411 1.85536 -212.21380 347.50104
8335.0000 -216.02071 -212.37193 3.64878 1.86970 -211.93884 362.19056
8340.0000 -215.55232 -211.07737 4.47495 1.86785 -211.97431 365.28965
8345.0000 -215.70675 -212.43549 3.27125 1.88165 -211.70967 371.02302
8350.0000 -215.87096 -211.91489 3.95607 1.85017 -212.31334 345.78335
8355.0000 -215.81103 -211.75261 4.05842 1.86142 -212.09761 357.63555
8360.0000 -215.78923 -211.69168 4.09755 1.88123 -211.71767 367.32938
8365.0000 -216.00835 -211.90033 4.10801 1.87400 -211.85637 366.13598
8370.0000 -215.95442 -212.27670 3.67772 1.84511 -212.41037 342.45122
8375.0000 -215.69779 -211.89692 3.80087 1.84753 -212.36405 335.51378
8380.0000 -216.21034 -212.14201 4.06833 1.85221 -212.27427 332.14962
8385.0000 -216.32238 -212.48908 3.83331 1.83692 -212.56744 324.28640
8390.0000 -216.53159 -212.64976 3.88184 1.83683 -212.56920 330.43220
8395.0000 -215.91983 -211.55134 4.36849 1.88766 -211.59430 367.50672
8400.0000 -215.10065 -210.64704 4.45362 1.91535 -211.06315 402.11808
8405.0000 -215.38317 -211.52708 3.85609 1.91671 -211.03714 401.30540
8410.0000 -216.68450 -212.38173 4.30277 1.87944 -211.75204 368.29569
8415.0000 -216.26316 -212.38376 3.87940 1.85340 -212.25145 350.76150
8420.0000 -215.98149 -211.89373 4.08775 1.87072 -211.91924 367.22926
8425.0000 -215.93450 -211.93150 4.00300 1.88836 -211.58087 381.86283
8430.0000 -216.03910 -211.38634 4.65276 1.87630 -211.81227 371.92768
8435.0000 -215.72939 -212.34308 3.38631 1.87019 -211.92938 354.98723
8440.0000 -215.80187 -211.30515 4.49672 1.88581 -211.62974 372.37560
8445.0000 -216.29547 -211.87439 4.42108 1.86834 -211.96480 361.06432
8450.0000 -215.47078 -210.93098 4.53980 1.87303 -211.87488 368.99448
8455.0000 -215.52352 -211.31859 4.20493 1.90810 -211.20224 388.52803
8460.0000 -215.94066 -212.13813 3.80253 1.87323 -211.87115 361.25140
8465.0000 -216.25409 -211.83321 4.42088 1.87142 -211.90581 358.84306
8470.0000 -216.25385 -211.90070 4.35315 1.87077 -211.91821 361.77885
8475.0000 -216.13277 -212.17546 3.95731 1.85536 -212.21380 348.71385
8480.0000 -215.39813 -211.65565 3.74248 1.86833 -211.96517 358.76107
8485.0000 -216.25278 -212.84436 3.40842 1.85133 -212.29117 343.11233
8490.0000 -215.77390 -212.37988 3.39402 1.83809 -212.54502 333.86681
8495.0000 -215.43945 -211.95910 3.48035 1.86871 -211.95779 355.06230
8500.0000 -215.84948 -211.63250 4.21698 1.87942 -211.75241 365.03216
FREEZING PROCESS: loop number 35 T-loop= 341.00000000000000
main_MD> interactions number 35 at Temperature= 341.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.52360 -1.22633 1.85650
force_rgl> df(natom) 1.20003 -0.40545 -1.47705
8505.0000 -215.41951 -211.31170 4.10781 1.89630 -211.42864 388.35223
8510.0000 -216.41925 -212.85789 3.56136 1.84457 -212.42086 343.68255
8515.0000 -216.36862 -212.70304 3.66558 1.81436 -213.00016 320.62899
8520.0000 -216.17960 -212.74619 3.43341 1.83694 -212.56721 340.86896
8525.0000 -216.90828 -213.39745 3.51083 1.80397 -213.19944 309.11382
8530.0000 -216.29553 -212.51519 3.78034 1.81030 -213.07812 311.49109
8535.0000 -216.01893 -212.50725 3.51169 1.80877 -213.10739 311.64905
8540.0000 -216.08272 -212.51142 3.57130 1.84932 -212.32976 343.28819
8545.0000 -215.78347 -212.64179 3.14168 1.82131 -212.86694 325.05133
8550.0000 -216.93104 -213.31787 3.61317 1.83068 -212.68714 332.18065
8555.0000 -216.44577 -212.91601 3.52975 1.80781 -213.12582 313.18437
8560.0000 -216.46442 -213.14743 3.31699 1.80951 -213.09333 312.06140
8565.0000 -216.56928 -212.60104 3.96824 1.82715 -212.75491 327.82786
8570.0000 -216.02256 -211.84908 4.17349 1.83291 -212.64446 337.29164
8575.0000 -215.73199 -211.82783 3.90416 1.86178 -212.09067 359.35215
8580.0000 -216.10690 -212.27261 3.83429 1.86329 -212.06179 362.10296
8585.0000 -216.08961 -212.70832 3.38129 1.83865 -212.53431 330.46692
8590.0000 -216.13077 -212.44140 3.68937 1.83954 -212.51736 335.49666
8595.0000 -216.17063 -211.66931 4.50132 1.84852 -212.34496 346.91546
8600.0000 -216.22023 -211.85343 4.36680 1.87603 -211.81741 372.36569
8605.0000 -216.17612 -212.82563 3.35050 1.84713 -212.37175 338.80947
8610.0000 -216.54499 -213.01283 3.53216 1.83452 -212.61359 332.66196
8615.0000 -216.50020 -213.34938 3.15082 1.79850 -213.30442 301.70842
8620.0000 -216.44436 -212.98868 3.45568 1.82821 -212.73462 330.60839
8625.0000 -215.94026 -211.85184 4.08842 1.85637 -212.19451 351.03493
8630.0000 -215.93021 -211.25043 4.67978 1.86527 -212.02377 359.35474
8635.0000 -215.94171 -211.37412 4.56759 1.87969 -211.74713 374.21963
8640.0000 -215.19553 -211.59619 3.59934 1.88207 -211.70153 366.31630
8645.0000 -216.28543 -212.22489 4.06053 1.87119 -211.91030 357.19181
8650.0000 -216.07673 -212.46941 3.60732 1.86916 -211.94919 355.63371
8655.0000 -215.42665 -211.08546 4.34120 1.86593 -212.01116 362.89858
8660.0000 -215.89097 -212.07479 3.81617 1.87670 -211.80459 368.60635
8665.0000 -216.38416 -213.47219 2.91197 1.83173 -212.66699 327.80231
8670.0000 -215.98343 -212.13541 3.84801 1.83576 -212.58985 337.42355
8675.0000 -216.34337 -212.89716 3.44621 1.84693 -212.37545 345.69072
8680.0000 -216.32261 -213.13065 3.19197 1.81958 -212.90017 317.50782
8685.0000 -216.55614 -212.77976 3.77638 1.82403 -212.81474 324.05311
8690.0000 -216.53668 -212.68061 3.85607 1.84196 -212.47091 335.93982
8695.0000 -216.13566 -212.80422 3.33144 1.82830 -212.73281 325.00542
8700.0000 -216.14992 -212.32129 3.82863 1.84796 -212.35577 339.13028
8705.0000 -216.54294 -213.07936 3.46358 1.82206 -212.85263 323.12957
8710.0000 -216.71308 -212.54806 4.16502 1.82011 -212.88995 322.25502
8715.0000 -216.27612 -213.15496 3.12116 1.83334 -212.63619 327.41250
8720.0000 -216.18935 -212.82907 3.36028 1.83714 -212.56334 336.61542
8725.0000 -215.54878 -212.32057 3.22821 1.84869 -212.34180 346.48903
8730.0000 -216.15170 -212.40870 3.74300 1.86074 -212.11064 357.58938
8735.0000 -216.46188 -212.70845 3.75343 1.83991 -212.51018 342.75476
8740.0000 -216.33153 -212.91884 3.41268 1.83422 -212.61924 335.29617
8745.0000 -216.42621 -212.76890 3.65731 1.82801 -212.73835 330.28943
8750.0000 -216.45448 -212.89187 3.56261 1.83166 -212.66839 334.09652
FREEZING PROCESS: loop number 36 T-loop= 316.00000000000000
main_MD> interactions number 36 at Temperature= 316.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.13460 -2.46882 -0.20038
force_rgl> df(natom) -0.35606 1.55929 -1.31786
8755.0000 -216.88467 -213.55233 3.33234 1.80887 -213.10555 313.74606
8760.0000 -216.73281 -213.26671 3.46611 1.79769 -213.31998 306.21085
8765.0000 -216.20177 -212.79822 3.40355 1.81243 -213.03724 315.50327
8770.0000 -216.69445 -212.95670 3.73776 1.81839 -212.92301 321.29337
8775.0000 -216.55457 -213.31071 3.24386 1.81945 -212.90260 324.05796
8780.0000 -216.75308 -213.34575 3.40733 1.80366 -213.20548 313.38499
8785.0000 -216.47570 -213.21184 3.26386 1.79570 -213.35822 307.07483
8790.0000 -216.98598 -213.71074 3.27524 1.79640 -213.34477 303.18885
8795.0000 -216.45655 -213.35976 3.09678 1.79558 -213.36041 303.15343
8800.0000 -216.50272 -213.16852 3.33420 1.82643 -212.76873 327.50380
8805.0000 -216.44774 -212.78735 3.66038 1.81660 -212.95729 319.32991
8810.0000 -216.61192 -213.71577 2.89614 1.78271 -213.60734 291.73042
8815.0000 -216.90709 -213.78229 3.12480 1.78284 -213.60474 293.11688
8820.0000 -216.42751 -213.03402 3.39349 1.77835 -213.69082 288.06179
8825.0000 -215.89460 -212.62717 3.26742 1.82727 -212.75262 328.04595
8830.0000 -216.16201 -212.78662 3.37539 1.83340 -212.63508 327.06963
8835.0000 -216.37146 -213.73290 2.63856 1.78473 -213.56850 294.61224
8840.0000 -216.60941 -213.36291 3.24650 1.77878 -213.68272 289.10157
8845.0000 -216.69785 -212.99547 3.70238 1.80478 -213.18390 313.34404
8850.0000 -216.33600 -213.27842 3.05757 1.81247 -213.03648 322.24202
8855.0000 -216.72146 -212.99168 3.72978 1.82807 -212.73734 333.26452
8860.0000 -216.39038 -212.95040 3.43998 1.80414 -213.19621 309.61069
8865.0000 -215.72642 -212.39400 3.33242 1.82970 -212.70602 323.35414
8870.0000 -215.92220 -212.63206 3.29013 1.84379 -212.43571 343.59160
8875.0000 -216.22301 -212.84177 3.38124 1.84436 -212.42475 342.73448
8880.0000 -216.68396 -213.12585 3.55811 1.82374 -212.82040 325.57196
8885.0000 -216.45144 -212.63478 3.81666 1.79701 -213.33309 305.54006
8890.0000 -216.52833 -213.45911 3.06922 1.83267 -212.64911 336.07895
8895.0000 -216.52278 -212.72851 3.79427 1.79767 -213.32039 308.63753
8900.0000 -216.26990 -212.62546 3.64444 1.82832 -212.73244 335.23713
8905.0000 -216.55661 -213.18990 3.36672 1.82836 -212.73171 329.46023
8910.0000 -217.00920 -213.49845 3.51075 1.80939 -213.09559 315.61490
8915.0000 -216.92696 -213.66589 3.26106 1.78777 -213.51027 297.90601
8920.0000 -216.71208 -213.26749 3.44460 1.79555 -213.36093 304.79787
8925.0000 -216.86817 -213.76728 3.10089 1.78721 -213.52092 295.16224
8930.0000 -216.74552 -213.28157 3.46394 1.78463 -213.57044 293.49101
8935.0000 -216.36208 -213.20836 3.15371 1.78760 -213.51357 296.54997
8940.0000 -216.62277 -213.28743 3.33535 1.79344 -213.40151 303.96278
8945.0000 -216.97518 -213.56428 3.41090 1.78560 -213.55195 292.04010
8950.0000 -216.46076 -213.22295 3.23781 1.79976 -213.28019 308.25745
8955.0000 -216.54203 -212.77622 3.76581 1.81501 -212.98777 323.15182
8960.0000 -216.34158 -212.95197 3.38961 1.83197 -212.66247 335.26897
8965.0000 -216.44595 -213.21023 3.23572 1.79906 -213.29364 308.30299
8970.0000 -216.59273 -213.36549 3.22725 1.81085 -213.06754 316.32071
8975.0000 -217.26951 -213.06147 4.20804 1.81393 -213.00847 323.97885
8980.0000 -216.91959 -213.50276 3.41684 1.80374 -213.20388 315.41071
8985.0000 -216.14830 -212.38115 3.76716 1.82725 -212.75298 333.18160
8990.0000 -216.45098 -213.06276 3.38822 1.82265 -212.84125 324.49577
8995.0000 -215.97611 -212.03886 3.93725 1.83156 -212.67040 332.58392
9000.0000 -216.83670 -213.15514 3.68157 1.82575 -212.78183 332.12804
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 16.0950045 [s].
main_MD> Deallocating global variables
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