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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_41/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_41.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 = 41 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 41 4100
main_MD> Size of nv and nvoiz: 41 4100
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 = 41
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -9.0540981642925681E-004 -3.2519877804478022E-002 1.7736953172839780E-002 initial drift of cluster / NP1 for coalescence
init> 0.31904085628943946 0.30291090659932823 0.29639075501771539 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7654351207798372E-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) -0.85495 0.60240 2.41800
force_rgl> df(natom) 7.30782 4.87555 -3.02935
preparo> THERMALIZATION PROCESS AT 1229.5182746573748
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -85.485195527525434 7.7330621318008257 -93.218257659326255 6.4736762955127584E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1205.0000000000000
main_MD> interactions number 1 at Temperature= 1205.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.59882 0.62451 1.08890
force_rgl> df(natom) -3.69447 -8.67010 -1.64664
5.0000 -95.24410 -88.23757 7.00653 2.92118 -86.21664 1299.51127
10.0000 -94.45264 -87.71960 6.73304 2.76856 -88.03127 1177.08498
15.0000 -93.42330 -86.73245 6.69084 2.82580 -87.35061 1213.22662
20.0000 -92.69630 -86.15948 6.53682 2.92863 -86.12795 1300.51631
25.0000 -93.63284 -87.18907 6.44377 2.95128 -85.85865 1333.30403
30.0000 -92.98835 -87.11455 5.87380 2.90355 -86.42622 1297.47365
35.0000 -91.78031 -86.07016 5.71015 2.91034 -86.34548 1309.61745
40.0000 -91.32535 -84.35011 6.97523 3.02997 -84.92309 1385.19201
45.0000 -93.92010 -85.26850 8.65160 2.98269 -85.48520 1315.17254
50.0000 -93.78126 -86.72221 7.05905 2.92026 -86.22750 1236.59257
55.0000 -94.45008 -87.77747 6.67261 2.80875 -87.55337 1215.93649
60.0000 -92.75169 -86.62027 6.13141 2.82545 -87.35485 1250.32268
65.0000 -94.80221 -88.29720 6.50501 2.91168 -86.32959 1301.53363
70.0000 -93.70014 -87.61861 6.08153 2.70505 -88.78640 1124.59150
75.0000 -93.98588 -87.12960 6.85629 2.80257 -87.62688 1208.45992
80.0000 -93.25691 -87.53874 5.71817 2.84503 -87.12197 1230.56369
85.0000 -93.20314 -87.44537 5.75777 2.83087 -87.29043 1196.97529
90.0000 -92.07570 -86.14396 5.93174 2.87294 -86.79018 1232.81904
95.0000 -93.80810 -87.44415 6.36395 2.87471 -86.76911 1260.38041
100.0000 -94.34849 -88.32542 6.02307 2.71825 -88.62946 1110.28076
105.0000 -94.56073 -89.80636 4.75437 2.75364 -88.20863 1130.34161
110.0000 -94.24588 -87.98054 6.26534 2.77592 -87.94377 1220.72911
115.0000 -94.42013 -87.98509 6.43504 2.78317 -87.85760 1178.44584
120.0000 -93.90504 -88.06427 5.84078 2.73198 -88.46616 1116.21590
125.0000 -94.17115 -87.82260 6.34855 2.76678 -88.05248 1174.53847
130.0000 -94.43517 -88.09254 6.34263 2.78786 -87.80184 1233.62847
135.0000 -95.71720 -88.67812 7.03909 2.69120 -88.95113 1075.03017
140.0000 -93.20266 -87.36553 5.83713 2.78506 -87.83512 1141.53366
145.0000 -94.01080 -87.15427 6.85653 2.89432 -86.53591 1264.77414
150.0000 -94.48295 -87.18322 7.29973 2.81968 -87.42345 1200.02697
155.0000 -94.34465 -89.21598 5.12868 2.71883 -88.62253 1152.02451
160.0000 -93.42696 -87.41280 6.01415 2.76733 -88.04588 1161.71253
165.0000 -93.58251 -87.86940 5.71311 2.79352 -87.73443 1169.41223
170.0000 -93.27453 -87.44454 5.82999 2.73576 -88.42127 1130.89453
175.0000 -94.67353 -87.74416 6.92938 2.80147 -87.64001 1187.14473
180.0000 -95.83221 -88.67101 7.16120 2.68810 -88.98790 1117.70541
185.0000 -94.65109 -87.88819 6.76289 2.75773 -88.16002 1184.79306
190.0000 -93.69126 -87.84285 5.84841 2.77459 -87.95951 1197.50353
195.0000 -94.39645 -88.08980 6.30665 2.74570 -88.30306 1137.84507
200.0000 -94.89302 -89.14957 5.74345 2.74563 -88.30390 1133.75652
205.0000 -93.45750 -88.02165 5.43585 2.77804 -87.91859 1143.12161
210.0000 -92.40648 -85.51010 6.89638 2.87151 -86.80720 1223.25311
215.0000 -93.31291 -87.20281 6.11010 2.92139 -86.21404 1309.36269
220.0000 -93.79925 -88.08265 5.71660 2.87909 -86.71704 1258.37242
225.0000 -95.01274 -89.59402 5.41872 2.74627 -88.29631 1128.89758
230.0000 -95.13959 -88.13693 7.00266 2.67853 -89.10175 1130.25264
235.0000 -91.02519 -84.41273 6.61245 2.94722 -85.90695 1238.89565
240.0000 -93.24753 -85.81374 7.43379 3.02442 -84.98900 1367.23395
245.0000 -93.22411 -87.26331 5.96080 2.87063 -86.81767 1297.87516
250.0000 -93.97687 -87.12812 6.84875 2.86520 -86.88218 1280.88181
FREEZING PROCESS: loop number 2 T-loop= 1180.0000000000000
main_MD> interactions number 2 at Temperature= 1180.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.43186 0.19380 0.34676
force_rgl> df(natom) 2.72116 -0.20441 -1.01713
255.0000 -95.06487 -88.24102 6.82385 2.76303 -88.09704 1207.90565
260.0000 -93.18010 -87.46482 5.71528 2.78738 -87.80746 1188.43337
265.0000 -93.49652 -87.27285 6.22367 2.81165 -87.51891 1214.93343
270.0000 -93.05878 -84.52980 8.52897 2.95118 -85.85991 1283.07127
275.0000 -94.43390 -86.57945 7.85446 3.01317 -85.12279 1417.87541
280.0000 -95.52001 -89.47236 6.04765 2.76167 -88.11323 1100.26475
285.0000 -94.37117 -88.35610 6.01507 2.66183 -89.30031 1065.82342
290.0000 -95.30859 -89.51614 5.79245 2.64741 -89.47173 1050.58884
295.0000 -94.61683 -87.89494 6.72189 2.68374 -89.03979 1094.80977
300.0000 -95.04183 -87.99859 7.04325 2.70977 -88.73034 1131.74043
305.0000 -94.07548 -89.23341 4.84207 2.72431 -88.55737 1165.83598
310.0000 -95.24865 -88.23826 7.01039 2.70572 -88.77849 1121.45846
315.0000 -95.10524 -88.59887 6.50637 2.76556 -88.06691 1139.10390
320.0000 -94.94533 -88.77080 6.17453 2.70748 -88.75749 1127.80875
325.0000 -94.37202 -86.99653 7.37548 2.81667 -87.45918 1208.71170
330.0000 -94.65106 -87.05485 7.59621 2.86060 -86.93688 1256.08394
335.0000 -93.44244 -87.76616 5.67628 2.80758 -87.56729 1241.10797
340.0000 -96.16035 -89.39499 6.76536 2.71518 -88.66600 1116.16200
345.0000 -94.84755 -89.68720 5.16035 2.65441 -89.38850 1070.85756
350.0000 -94.74181 -89.32896 5.41285 2.62888 -89.69212 1073.35661
355.0000 -93.77482 -87.05939 6.71543 2.81678 -87.45795 1183.61541
360.0000 -92.79787 -87.48940 5.30847 2.84277 -87.14884 1204.91315
365.0000 -93.72226 -88.25623 5.46603 2.75361 -88.20900 1148.02956
370.0000 -95.54030 -88.17509 7.36521 2.70054 -88.84008 1085.51929
375.0000 -93.96133 -87.73913 6.22220 2.72344 -88.56776 1162.18157
380.0000 -94.44074 -88.88660 5.55414 2.81531 -87.47543 1213.72413
385.0000 -91.59995 -86.10621 5.49374 2.86586 -86.87439 1188.75474
390.0000 -93.33147 -87.78799 5.54348 2.94240 -85.96423 1306.79804
395.0000 -93.29987 -85.57871 7.72115 2.90308 -86.43178 1235.62925
400.0000 -92.52329 -84.31383 8.20947 3.01041 -85.15565 1385.62023
405.0000 -94.80842 -86.74197 8.06645 2.96124 -85.74023 1287.86379
410.0000 -93.72172 -88.45713 5.26460 2.88888 -86.60061 1274.12978
415.0000 -95.27350 -89.31539 5.95811 2.63665 -89.59967 1043.80108
420.0000 -94.78680 -89.37715 5.40964 2.66717 -89.23683 1076.85387
425.0000 -94.72274 -89.46707 5.25568 2.69966 -88.85050 1153.10583
430.0000 -95.61686 -90.04941 5.56746 2.62379 -89.75257 1038.03954
435.0000 -93.60502 -87.59379 6.01123 2.70000 -88.84643 1116.76390
440.0000 -93.79862 -88.61092 5.18769 2.69169 -88.94525 1127.18119
445.0000 -94.02212 -87.73259 6.28953 2.74079 -88.36147 1107.44266
450.0000 -94.75114 -89.53703 5.21411 2.75657 -88.17387 1138.07725
455.0000 -93.38531 -87.84017 5.54514 2.60466 -89.98004 1097.29571
460.0000 -94.38675 -87.76394 6.62280 2.78048 -87.88956 1179.28238
465.0000 -92.25455 -86.05987 6.19468 2.88941 -86.59428 1285.63663
470.0000 -93.41780 -87.62939 5.78841 2.87301 -86.78939 1240.82127
475.0000 -94.36767 -88.00047 6.36720 2.78692 -87.81302 1184.96092
480.0000 -93.19951 -86.59362 6.60589 2.77046 -88.00870 1197.95856
485.0000 -94.61246 -86.49664 8.11581 2.87284 -86.79139 1272.46049
490.0000 -92.80536 -86.76773 6.03763 2.84248 -87.15235 1244.09259
495.0000 -93.72078 -86.50141 7.21937 2.90012 -86.46702 1283.51557
500.0000 -92.73045 -86.49881 6.23163 2.86414 -86.89476 1211.59164
FREEZING PROCESS: loop number 3 T-loop= 1155.0000000000000
main_MD> interactions number 3 at Temperature= 1155.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.62767 -5.38990 -0.38364
force_rgl> df(natom) -3.66568 8.16226 1.43116
505.0000 -94.73039 -88.95252 5.77787 2.71329 -88.68843 1155.62839
510.0000 -95.55541 -90.39314 5.16228 2.69341 -88.92484 1081.27583
515.0000 -94.62964 -87.74771 6.88193 2.71219 -88.70146 1147.64119
520.0000 -93.42734 -88.44670 4.98063 2.78857 -87.79332 1178.29453
525.0000 -93.24200 -87.67703 5.56497 2.78683 -87.81403 1216.56093
530.0000 -94.15723 -87.82848 6.32875 2.75820 -88.15440 1128.12862
535.0000 -95.09150 -89.61239 5.47911 2.67881 -89.09844 1119.50402
540.0000 -95.54524 -89.42561 6.11963 2.66145 -89.30481 1092.52380
545.0000 -95.59000 -88.95350 6.63650 2.71639 -88.65153 1129.39795
550.0000 -94.07623 -88.05579 6.02044 2.66413 -89.27295 1066.77227
555.0000 -93.81385 -87.38027 6.43358 2.79644 -87.69975 1182.57120
560.0000 -93.18012 -87.08822 6.09190 2.81724 -87.45242 1134.10613
565.0000 -95.27537 -90.23072 5.04465 2.74453 -88.31697 1130.11568
570.0000 -95.45702 -89.04963 6.40738 2.66530 -89.25908 1081.02705
575.0000 -94.61095 -88.95413 5.65682 2.71127 -88.71245 1133.15594
580.0000 -94.29483 -88.65744 5.63739 2.74644 -88.29433 1169.61946
585.0000 -96.34167 -89.44240 6.89927 2.71454 -88.67359 1118.20921
590.0000 -95.64676 -89.99400 5.65276 2.58498 -90.21409 1030.65047
595.0000 -95.52804 -90.70909 4.81895 2.57694 -90.30961 953.68820
600.0000 -96.92600 -92.24277 4.68323 2.49661 -91.26481 928.50056
605.0000 -94.57356 -89.86955 4.70401 2.52088 -90.97624 975.44782
610.0000 -95.67834 -90.83062 4.84772 2.52516 -90.92532 960.61330
615.0000 -96.29020 -91.03466 5.25553 2.53731 -90.78084 1005.98483
620.0000 -95.71685 -90.31422 5.40263 2.50227 -91.19745 943.21526
625.0000 -96.83093 -91.66088 5.17004 2.53305 -90.83148 918.49163
630.0000 -95.24841 -90.64008 4.60833 2.51749 -91.01654 949.29103
635.0000 -93.16791 -87.37040 5.79750 2.67688 -89.12131 1100.63136
640.0000 -94.45924 -88.73980 5.71944 2.75715 -88.16691 1135.84109
645.0000 -94.94316 -88.61066 6.33251 2.71612 -88.65479 1128.14460
650.0000 -94.40344 -87.88061 6.52283 2.77366 -87.97062 1175.95643
655.0000 -94.87085 -88.43105 6.43980 2.76236 -88.10494 1158.72415
660.0000 -92.91094 -87.45618 5.45475 2.76542 -88.06859 1119.03075
665.0000 -93.20803 -86.67362 6.53441 2.84043 -87.17667 1179.80581
670.0000 -95.81250 -89.25974 6.55277 2.81135 -87.52249 1192.59994
675.0000 -94.17691 -87.86332 6.31360 2.71162 -88.70825 1093.30722
680.0000 -96.30624 -89.13272 7.17352 2.69077 -88.95620 1108.44613
685.0000 -94.20595 -87.82858 6.37737 2.72936 -88.49741 1182.36870
690.0000 -94.42750 -89.43905 4.98844 2.64336 -89.51986 1059.87829
695.0000 -95.10513 -89.22217 5.88296 2.65412 -89.39193 1088.13253
700.0000 -94.72200 -89.18890 5.53310 2.61957 -89.80276 1018.98816
705.0000 -95.29549 -89.42316 5.87233 2.61836 -89.81715 1091.76672
710.0000 -93.34498 -87.33659 6.00838 2.74656 -88.29286 1200.69667
715.0000 -93.63539 -86.54699 7.08841 2.85655 -86.98508 1227.66643
720.0000 -94.09565 -86.29462 7.80104 2.85826 -86.96475 1231.21203
725.0000 -94.36473 -88.20994 6.15478 2.74191 -88.34810 1111.34369
730.0000 -94.67717 -87.93908 6.73809 2.75614 -88.17898 1194.63976
735.0000 -94.92151 -88.70796 6.21355 2.73957 -88.37599 1171.78917
740.0000 -94.92154 -89.79865 5.12288 2.76264 -88.10167 1195.81001
745.0000 -95.64733 -90.94554 4.70179 2.60468 -89.97981 1050.81141
750.0000 -96.86247 -89.97124 6.89123 2.55680 -90.54919 1003.05058
FREEZING PROCESS: loop number 4 T-loop= 1130.0000000000000
main_MD> interactions number 4 at Temperature= 1130.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04303 -0.27588 0.58221
force_rgl> df(natom) -1.96276 -2.89924 -1.34426
755.0000 -94.04991 -88.24585 5.80406 2.69272 -88.93298 1095.61838
760.0000 -93.75108 -87.92472 5.82636 2.79883 -87.67133 1190.49423
765.0000 -93.71742 -87.68020 6.03722 2.77703 -87.93051 1122.11218
770.0000 -94.73594 -90.29337 4.44257 2.72398 -88.56128 1082.87136
775.0000 -93.98759 -88.49479 5.49280 2.68141 -89.06746 1021.90060
780.0000 -95.28812 -90.22922 5.05890 2.63829 -89.58020 1064.30627
785.0000 -95.46570 -87.64539 7.82032 2.76059 -88.12600 1182.15738
790.0000 -93.90536 -86.74421 7.16115 2.86257 -86.91350 1234.95481
795.0000 -93.38856 -87.70713 5.68142 2.86586 -86.87435 1191.57890
800.0000 -94.91195 -88.88986 6.02209 2.75286 -88.21789 1135.75466
805.0000 -92.87739 -86.22272 6.65467 2.79328 -87.73732 1126.54540
810.0000 -94.74189 -87.78904 6.95285 2.85817 -86.96577 1266.13383
815.0000 -94.52959 -87.38020 7.14939 2.80723 -87.57144 1176.46024
820.0000 -92.56332 -86.93390 5.62942 2.84141 -87.16502 1211.25548
825.0000 -92.29659 -86.16155 6.13504 2.83515 -87.23949 1180.92475
830.0000 -92.59384 -85.64311 6.95073 2.94877 -85.88850 1322.66013
835.0000 -93.16469 -84.93733 8.22737 2.95075 -85.86496 1306.07284
840.0000 -92.09328 -85.30940 6.78388 2.98309 -85.48045 1379.82706
845.0000 -93.03942 -86.80943 6.23000 2.89245 -86.55824 1264.09037
850.0000 -93.90214 -88.04183 5.86032 2.73934 -88.37869 1125.99138
855.0000 -94.76531 -89.18480 5.58051 2.71231 -88.70006 1165.90973
860.0000 -94.39096 -87.84474 6.54622 2.71030 -88.72403 1104.75281
865.0000 -94.84339 -87.83153 7.01186 2.80834 -87.55827 1199.81995
870.0000 -95.23111 -89.01620 6.21492 2.82212 -87.39442 1216.50756
875.0000 -95.95077 -90.35316 5.59761 2.60187 -90.01320 1045.97477
880.0000 -94.67127 -88.70910 5.96217 2.63257 -89.64826 1074.76940
885.0000 -93.71670 -88.03443 5.68227 2.75690 -88.16986 1112.58961
890.0000 -94.67632 -88.48082 6.19551 2.78600 -87.82389 1178.45888
895.0000 -94.31810 -88.41865 5.89945 2.74847 -88.27019 1136.06531
900.0000 -92.43500 -86.84701 5.58799 2.77458 -87.95968 1195.88700
905.0000 -94.38882 -88.30219 6.08663 2.86189 -86.92156 1205.35740
910.0000 -94.50990 -89.54915 4.96075 2.75802 -88.15664 1187.85414
915.0000 -95.90333 -90.17583 5.72749 2.66265 -89.29053 1101.69732
920.0000 -95.07426 -90.25011 4.82415 2.66882 -89.21722 1108.54170
925.0000 -92.92458 -87.37770 5.54688 2.72496 -88.54969 1162.20799
930.0000 -92.12189 -86.30223 5.81967 2.85629 -86.98814 1268.57758
935.0000 -91.77138 -86.27002 5.50136 2.89148 -86.56974 1239.14075
940.0000 -92.21307 -85.43034 6.78273 2.96957 -85.64117 1317.79595
945.0000 -94.98551 -90.08850 4.89701 2.77414 -87.96492 1128.84363
950.0000 -94.84726 -89.57923 5.26803 2.68441 -89.03187 1122.58957
955.0000 -95.06543 -88.30958 6.75585 2.63017 -89.67680 1080.26839
960.0000 -95.17684 -90.39579 4.78104 2.68513 -89.02321 1103.05515
965.0000 -94.92778 -87.07935 7.84843 2.69784 -88.87209 1078.92560
970.0000 -94.67991 -88.36128 6.31863 2.75225 -88.22515 1155.32715
975.0000 -95.20095 -88.74552 6.45543 2.76211 -88.10791 1179.10812
980.0000 -95.88806 -89.16781 6.72025 2.67436 -89.15132 1103.39167
985.0000 -96.00287 -90.22169 5.78119 2.65532 -89.37775 1066.61022
990.0000 -94.95839 -88.67852 6.27988 2.66297 -89.28677 1108.47482
995.0000 -94.10301 -87.29996 6.80305 2.71396 -88.68047 1113.87021
1000.0000 -94.36936 -87.64996 6.71939 2.74813 -88.27423 1135.84680
FREEZING PROCESS: loop number 5 T-loop= 1105.0000000000000
main_MD> interactions number 5 at Temperature= 1105.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.44129 4.08897 0.80814
force_rgl> df(natom) 0.00931 -1.85304 -0.05045
1005.0000 -95.84167 -89.07468 6.76699 2.65228 -89.41390 1117.74912
1010.0000 -94.66601 -88.79874 5.86727 2.63337 -89.63872 1052.49280
1015.0000 -94.71590 -88.16341 6.55249 2.70668 -88.76699 1108.71802
1020.0000 -94.46116 -88.71078 5.75039 2.69306 -88.92899 1105.49750
1025.0000 -96.00530 -91.16777 4.83753 2.57338 -90.35199 996.09975
1030.0000 -95.72164 -90.15937 5.56227 2.53118 -90.85375 994.11518
1035.0000 -93.90709 -88.15156 5.75553 2.70589 -88.77638 1112.39516
1040.0000 -93.79677 -87.84785 5.94892 2.79018 -87.77422 1219.92715
1045.0000 -94.32117 -88.31522 6.00595 2.75317 -88.21425 1154.82105
1050.0000 -93.87169 -87.38050 6.49119 2.74689 -88.28898 1139.31900
1055.0000 -94.75350 -88.28714 6.46636 2.73739 -88.40186 1134.49540
1060.0000 -96.26721 -90.17989 6.08732 2.63255 -89.64839 1051.98883
1065.0000 -96.42420 -90.88580 5.53840 2.60969 -89.92024 1054.44827
1070.0000 -95.03109 -89.82533 5.20576 2.59745 -90.06581 999.07500
1075.0000 -92.92931 -86.54253 6.38678 2.72816 -88.51166 1122.76644
1080.0000 -93.52848 -87.19871 6.32977 2.85594 -86.99227 1282.69158
1085.0000 -95.11602 -88.82719 6.28884 2.72527 -88.54593 1136.93081
1090.0000 -94.21067 -88.18410 6.02658 2.74842 -88.27078 1155.86889
1095.0000 -95.09966 -89.75934 5.34032 2.66781 -89.22924 1097.38793
1100.0000 -96.41765 -90.51457 5.90309 2.65437 -89.38903 1073.99791
1105.0000 -94.30707 -87.87548 6.43159 2.74595 -88.30007 1128.49389
1110.0000 -95.45590 -90.30596 5.14994 2.65375 -89.39643 1008.67303
1115.0000 -95.59431 -89.59042 6.00388 2.64292 -89.52518 1071.68607
1120.0000 -96.18508 -90.45434 5.73074 2.65963 -89.32643 1100.46222
1125.0000 -94.40190 -88.77349 5.62841 2.66752 -89.23264 1064.97863
1130.0000 -94.06336 -88.29274 5.77062 2.75169 -88.23190 1141.01738
1135.0000 -93.52715 -88.32664 5.20052 2.76394 -88.08620 1190.54335
1140.0000 -94.51930 -89.42288 5.09642 2.65938 -89.32943 1043.61624
1145.0000 -95.75655 -90.00498 5.75157 2.71290 -88.69307 1155.28809
1150.0000 -94.75993 -87.54749 7.21244 2.75767 -88.16069 1149.84887
1155.0000 -95.28728 -89.04820 6.23908 2.78438 -87.84313 1195.30273
1160.0000 -95.36181 -90.41628 4.94553 2.57625 -90.31786 1047.76912
1165.0000 -95.49102 -90.01767 5.47334 2.57574 -90.32392 1053.49030
1170.0000 -94.92854 -88.72387 6.20467 2.65488 -89.38294 1077.91375
1175.0000 -95.39262 -90.32083 5.07179 2.66383 -89.27653 1051.68790
1180.0000 -94.41456 -88.02130 6.39326 2.69129 -88.95006 1119.58726
1185.0000 -93.67902 -88.43804 5.24098 2.76477 -88.07635 1176.43272
1190.0000 -93.95641 -87.79093 6.16548 2.74632 -88.29571 1142.30235
1195.0000 -95.70298 -90.27956 5.42342 2.73444 -88.43695 1158.95008
1200.0000 -95.16987 -89.33139 5.83848 2.63706 -89.59484 1043.48954
1205.0000 -95.83876 -90.78283 5.05594 2.61315 -89.87916 1029.34034
1210.0000 -95.33729 -89.03265 6.30464 2.60539 -89.97134 1033.76684
1215.0000 -96.25593 -90.68060 5.57534 2.62551 -89.73217 1076.87433
1220.0000 -95.58249 -89.62114 5.96135 2.56383 -90.46560 991.60968
1225.0000 -94.72748 -89.85541 4.87207 2.61050 -89.91061 1016.19317
1230.0000 -94.72991 -89.97098 4.75893 2.59922 -90.04471 1015.10030
1235.0000 -95.06129 -88.87214 6.18915 2.69318 -88.92758 1108.55279
1240.0000 -94.68646 -88.51409 6.17237 2.69609 -88.89295 1096.86190
1245.0000 -94.49725 -88.54877 5.94848 2.72217 -88.58280 1106.64203
1250.0000 -94.31396 -88.68795 5.62601 2.69293 -88.93057 1111.10722
FREEZING PROCESS: loop number 6 T-loop= 1080.0000000000000
main_MD> interactions number 6 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.75118 3.88083 -4.42956
force_rgl> df(natom) -1.90053 0.28821 -1.19423
1255.0000 -94.41631 -88.31807 6.09824 2.74375 -88.32620 1161.37330
1260.0000 -94.23547 -88.33869 5.89678 2.72940 -88.49693 1139.49844
1265.0000 -93.87084 -87.38315 6.48769 2.80775 -87.56525 1217.99629
1270.0000 -95.14143 -88.43207 6.70935 2.84693 -87.09939 1262.28328
1275.0000 -94.66647 -89.57225 5.09421 2.70153 -88.82831 1103.33747
1280.0000 -96.94011 -91.16285 5.77725 2.57650 -90.31492 1021.43845
1285.0000 -96.26161 -91.18725 5.07436 2.48340 -91.42188 991.59568
1290.0000 -95.50858 -89.07075 6.43783 2.60398 -89.98812 1035.29935
1295.0000 -93.87900 -87.09703 6.78197 2.75175 -88.23115 1170.36338
1300.0000 -94.86400 -89.43455 5.42945 2.69932 -88.85453 1106.53936
1305.0000 -94.84521 -89.30044 5.54477 2.64336 -89.51997 1060.06509
1310.0000 -95.58823 -88.93615 6.65208 2.66229 -89.29481 1072.69134
1315.0000 -94.35600 -87.74743 6.60857 2.74795 -88.27636 1129.05936
1320.0000 -95.29687 -89.53014 5.76673 2.68332 -89.04482 1106.60564
1325.0000 -94.76727 -89.27113 5.49614 2.53327 -90.82887 968.18770
1330.0000 -93.40797 -87.13455 6.27342 2.68144 -89.06710 1085.85876
1335.0000 -95.03808 -88.10468 6.93341 2.74435 -88.31916 1185.37069
1340.0000 -94.90244 -88.49051 6.41193 2.76740 -88.04506 1139.61061
1345.0000 -94.18127 -87.88390 6.29737 2.68510 -89.02357 1064.22988
1350.0000 -95.50157 -88.78311 6.71845 2.68669 -89.00473 1113.42415
1355.0000 -93.77816 -87.73988 6.03828 2.72676 -88.52829 1078.98428
1360.0000 -94.95348 -89.20137 5.75211 2.68306 -89.04791 1073.40397
1365.0000 -93.51333 -87.96298 5.55035 2.68926 -88.97412 1100.87151
1370.0000 -96.05760 -89.74329 6.31431 2.67583 -89.13382 1074.62553
1375.0000 -93.57166 -88.21057 5.36109 2.60772 -89.94367 1058.59497
1380.0000 -94.69750 -89.99717 4.70033 2.63841 -89.57876 1043.93192
1385.0000 -94.07300 -87.97979 6.09321 2.72367 -88.56505 1142.36429
1390.0000 -94.71434 -88.93815 5.77619 2.75641 -88.17570 1209.28650
1395.0000 -95.15116 -88.15870 6.99246 2.74881 -88.26606 1158.64313
1400.0000 -95.41714 -88.68842 6.72871 2.65783 -89.34782 1074.24532
1405.0000 -96.03986 -90.32340 5.71646 2.66229 -89.29483 1095.30670
1410.0000 -95.87802 -89.47490 6.40312 2.62296 -89.76253 1064.17320
1415.0000 -95.09118 -89.95948 5.13170 2.62374 -89.75319 1022.03989
1420.0000 -95.16102 -89.26881 5.89221 2.58774 -90.18122 1042.43602
1425.0000 -94.62446 -88.74110 5.88337 2.67506 -89.14296 1097.25596
1430.0000 -95.50787 -90.34411 5.16376 2.70364 -88.80312 1138.59278
1435.0000 -95.72338 -90.71483 5.00855 2.52063 -90.97914 978.44793
1440.0000 -95.31103 -89.30937 6.00166 2.69263 -88.93405 1076.09634
1445.0000 -95.82320 -90.32452 5.49868 2.63642 -89.60247 1089.93657
1450.0000 -94.30687 -88.46526 5.84161 2.63064 -89.67120 1047.28864
1455.0000 -94.82257 -88.82593 5.99664 2.66452 -89.26833 1081.82783
1460.0000 -94.22316 -87.69327 6.52989 2.74766 -88.27978 1153.70625
1465.0000 -93.67333 -86.72841 6.94492 2.78870 -87.79178 1184.19709
1470.0000 -93.83426 -86.74455 7.08971 2.90759 -86.37812 1264.47084
1475.0000 -94.60392 -87.94273 6.66119 2.79495 -87.71747 1155.05292
1480.0000 -94.31106 -88.32697 5.98410 2.73139 -88.47323 1141.65253
1485.0000 -93.22925 -87.50018 5.72907 2.73276 -88.45693 1126.23224
1490.0000 -94.83937 -88.02140 6.81797 2.77172 -87.99368 1172.95201
1495.0000 -96.06755 -90.11748 5.95007 2.67229 -89.17597 1067.88731
1500.0000 -96.53805 -91.58401 4.95404 2.53127 -90.85266 977.19589
FREEZING PROCESS: loop number 7 T-loop= 1055.0000000000000
main_MD> interactions number 7 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.61031 0.14354 0.92630
force_rgl> df(natom) -1.24821 -0.68563 -0.50470
1505.0000 -96.48447 -91.24887 5.23560 2.51342 -91.06489 966.38346
1510.0000 -96.23352 -90.86270 5.37082 2.52084 -90.97671 979.45821
1515.0000 -94.67820 -88.98664 5.69155 2.56508 -90.45067 953.81491
1520.0000 -94.94701 -89.72457 5.22244 2.64073 -89.55122 1060.50438
1525.0000 -95.35743 -89.48910 5.86833 2.59628 -90.07965 1018.15737
1530.0000 -95.08209 -89.52932 5.55277 2.61156 -89.89806 1031.56515
1535.0000 -95.92054 -89.41837 6.50217 2.54925 -90.63885 999.66048
1540.0000 -95.01288 -89.62290 5.38997 2.66998 -89.20344 1055.08741
1545.0000 -96.17482 -89.19376 6.98106 2.68701 -89.00096 1114.92170
1550.0000 -94.93522 -89.38353 5.55169 2.62902 -89.69042 1111.42550
1555.0000 -95.53598 -90.67073 4.86525 2.59156 -90.13588 992.64473
1560.0000 -95.80192 -90.75440 5.04752 2.51912 -90.99713 918.21843
1565.0000 -95.82386 -90.19978 5.62408 2.65689 -89.35909 1063.31066
1570.0000 -97.04417 -92.68980 4.35437 2.49707 -91.25936 1003.43466
1575.0000 -96.25468 -91.00984 5.24484 2.45815 -91.72212 898.99481
1580.0000 -95.14937 -89.26547 5.88390 2.54679 -90.66816 1000.85819
1585.0000 -94.86074 -89.39683 5.46391 2.67445 -89.15024 1077.06502
1590.0000 -93.91072 -88.48218 5.42855 2.66765 -89.23107 1037.40268
1595.0000 -95.55661 -89.88657 5.67005 2.64621 -89.48609 1080.81861
1600.0000 -93.28966 -87.78331 5.50635 2.70912 -88.73802 1138.52096
1605.0000 -93.67778 -87.35582 6.32196 2.81677 -87.45803 1239.39595
1610.0000 -94.68715 -88.50233 6.18482 2.74827 -88.27249 1136.02003
1615.0000 -93.40963 -87.00113 6.40851 2.78528 -87.83243 1157.49615
1620.0000 -94.29791 -88.94459 5.35332 2.78024 -87.89243 1170.06529
1625.0000 -94.09810 -88.51003 5.58807 2.69740 -88.87741 1105.88850
1630.0000 -93.76437 -88.23394 5.53043 2.76292 -88.09838 1155.56246
1635.0000 -93.68659 -86.41195 7.27464 2.83692 -87.21842 1219.22772
1640.0000 -95.52858 -88.59375 6.93483 2.78293 -87.86039 1116.52159
1645.0000 -95.14646 -89.32213 5.82433 2.59721 -90.06867 1023.74494
1650.0000 -95.68969 -91.50582 4.18388 2.51691 -91.02340 973.29884
1655.0000 -95.18473 -89.40478 5.77996 2.56545 -90.44624 1007.72430
1660.0000 -95.30859 -89.05759 6.25101 2.67209 -89.17836 1143.45944
1665.0000 -94.21237 -88.04451 6.16785 2.76534 -88.06956 1108.26889
1670.0000 -93.69781 -87.95874 5.73907 2.73666 -88.41053 1119.82870
1675.0000 -94.71449 -88.46083 6.25366 2.74792 -88.27666 1138.94979
1680.0000 -94.19694 -88.34040 5.85654 2.78158 -87.87650 1168.50570
1685.0000 -95.40984 -89.03696 6.37288 2.73911 -88.38143 1140.98100
1690.0000 -94.00613 -86.83260 7.17353 2.76358 -88.09049 1173.38560
1695.0000 -95.89342 -89.32658 6.56684 2.78454 -87.84131 1149.83965
1700.0000 -94.86859 -89.68216 5.18644 2.68054 -89.07785 1090.26420
1705.0000 -96.86791 -91.23646 5.63145 2.58562 -90.20650 1006.31920
1710.0000 -95.33819 -89.84371 5.49448 2.56661 -90.43247 1003.10281
1715.0000 -95.53460 -89.85068 5.68392 2.67754 -89.11355 1049.57987
1720.0000 -96.43734 -91.49300 4.94433 2.58650 -90.19604 1036.34668
1725.0000 -96.56482 -90.72627 5.83856 2.52108 -90.97389 977.50984
1730.0000 -96.25686 -90.91336 5.34350 2.62150 -89.77979 1031.84144
1735.0000 -94.71050 -88.90955 5.80095 2.65607 -89.36875 1109.19360
1740.0000 -95.13732 -87.65237 7.48495 2.69168 -88.94538 1106.31843
1745.0000 -95.86899 -90.65048 5.21851 2.61528 -89.85385 1036.78284
1750.0000 -94.69306 -90.18923 4.50383 2.70053 -88.84013 1125.21068
FREEZING PROCESS: loop number 8 T-loop= 1030.0000000000000
main_MD> interactions number 8 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.34843 0.32642 -0.92606
force_rgl> df(natom) 0.12654 -4.49675 -3.03860
1755.0000 -95.91783 -89.27282 6.64501 2.60735 -89.94809 1010.74899
1760.0000 -96.21154 -91.06644 5.14509 2.59664 -90.07539 1056.21556
1765.0000 -95.43223 -89.94559 5.48664 2.54272 -90.71657 1026.54883
1770.0000 -95.58525 -88.44160 7.14365 2.63218 -89.65282 1059.14906
1775.0000 -95.16989 -89.99615 5.17374 2.64476 -89.50331 1074.64122
1780.0000 -94.86976 -89.49333 5.37643 2.60417 -89.98591 965.83098
1785.0000 -96.02650 -89.69418 6.33232 2.60966 -89.92057 1025.18485
1790.0000 -96.30315 -90.26466 6.03849 2.57168 -90.37221 1049.08375
1795.0000 -96.22123 -91.13066 5.09057 2.50593 -91.15400 958.42324
1800.0000 -95.79733 -90.66348 5.13385 2.62131 -89.78213 1051.49036
1805.0000 -94.65602 -89.78682 4.86920 2.57527 -90.32947 1008.30193
1810.0000 -96.22953 -90.48895 5.74058 2.58047 -90.26774 1006.17185
1815.0000 -96.38420 -90.54937 5.83483 2.58505 -90.21329 972.25622
1820.0000 -96.12895 -89.91649 6.21247 2.53334 -90.82809 959.60968
1825.0000 -95.23230 -90.96623 4.26607 2.50108 -91.21162 960.84625
1830.0000 -96.43991 -92.36034 4.07956 2.46126 -91.68506 947.80221
1835.0000 -96.45514 -91.23461 5.22053 2.44580 -91.86892 896.10937
1840.0000 -94.83347 -90.49972 4.33375 2.52036 -90.98246 941.56943
1845.0000 -96.31480 -92.11322 4.20158 2.54878 -90.64452 992.33262
1850.0000 -95.82883 -91.47768 4.35115 2.54302 -90.71299 978.15713
1855.0000 -96.44804 -90.38853 6.05951 2.48293 -91.42750 944.37991
1860.0000 -95.01675 -90.05609 4.96066 2.57503 -90.33239 1033.33604
1865.0000 -94.34291 -87.47216 6.87076 2.65679 -89.36021 1038.70510
1870.0000 -95.62910 -90.50204 5.12706 2.65083 -89.43106 1036.44056
1875.0000 -95.47732 -88.47366 7.00366 2.57675 -90.31196 978.39162
1880.0000 -94.69174 -88.17206 6.51968 2.72159 -88.58980 1155.60121
1885.0000 -95.12547 -89.00764 6.11782 2.70213 -88.82118 1100.40491
1890.0000 -95.65007 -90.12031 5.52976 2.61662 -89.83787 1056.32290
1895.0000 -93.53137 -87.34029 6.19108 2.74387 -88.32479 1145.69802
1900.0000 -94.33080 -87.62647 6.70433 2.80649 -87.58024 1185.08040
1905.0000 -95.19790 -89.59722 5.60068 2.68568 -89.01667 1052.19209
1910.0000 -95.10177 -91.18686 3.91491 2.58128 -90.25803 1003.08986
1915.0000 -96.05470 -91.28604 4.76866 2.54715 -90.66382 983.15087
1920.0000 -97.52566 -91.90609 5.61957 2.52398 -90.93940 938.78498
1925.0000 -96.03574 -91.25653 4.77920 2.45369 -91.77514 947.86830
1930.0000 -95.74089 -90.63641 5.10448 2.50395 -91.17747 940.16602
1935.0000 -96.02889 -89.40611 6.62277 2.58226 -90.24635 1051.42223
1940.0000 -94.85913 -90.29442 4.56472 2.64308 -89.52327 1055.19826
1945.0000 -96.96990 -91.01453 5.95537 2.59253 -90.12426 1022.66851
1950.0000 -96.23261 -91.91061 4.32199 2.45194 -91.79598 912.21448
1955.0000 -97.24764 -92.15449 5.09315 2.46820 -91.60256 905.11288
1960.0000 -97.23564 -92.19622 5.03942 2.37031 -92.76657 860.78979
1965.0000 -96.95712 -92.30354 4.65358 2.38425 -92.60075 864.98263
1970.0000 -95.00506 -90.58100 4.42406 2.46335 -91.66030 904.52215
1975.0000 -96.04700 -91.19975 4.84725 2.52668 -90.90724 978.94222
1980.0000 -95.96957 -90.48606 5.48352 2.56741 -90.42302 1009.68833
1985.0000 -95.67833 -90.35979 5.31854 2.62138 -89.78120 1076.57626
1990.0000 -93.63015 -88.42040 5.20974 2.69055 -88.95878 1123.33086
1995.0000 -95.29350 -88.96355 6.32995 2.70372 -88.80223 1116.88074
2000.0000 -93.77039 -87.93615 5.83424 2.78071 -87.88681 1188.30937
FREEZING PROCESS: loop number 9 T-loop= 1005.0000000000000
main_MD> interactions number 9 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.37294 0.43178 -0.56717
force_rgl> df(natom) -2.60013 0.59414 0.45508
2005.0000 -94.71005 -88.56467 6.14538 2.74412 -88.32184 1121.10324
2010.0000 -95.21658 -90.82427 4.39232 2.58898 -90.16649 1032.13388
2015.0000 -94.65848 -89.18794 5.47054 2.65774 -89.34889 1082.07269
2020.0000 -95.67763 -90.80269 4.87494 2.60345 -89.99449 1047.17467
2025.0000 -95.95381 -91.44552 4.50829 2.49831 -91.24457 959.24081
2030.0000 -96.36646 -89.80377 6.56269 2.52877 -90.88241 992.79562
2035.0000 -97.14237 -91.85176 5.29060 2.49192 -91.32051 934.96384
2040.0000 -96.85302 -91.75249 5.10053 2.45248 -91.78956 904.12814
2045.0000 -97.85311 -92.47382 5.37929 2.38870 -92.54785 878.63197
2050.0000 -96.10761 -92.14448 3.96313 2.42234 -92.14793 868.78989
2055.0000 -96.84230 -92.25758 4.58472 2.41828 -92.19616 870.42374
2060.0000 -97.03718 -92.26542 4.77176 2.45758 -91.72882 918.61359
2065.0000 -97.31516 -91.74697 5.56819 2.44612 -91.86510 898.38079
2070.0000 -96.18798 -91.49138 4.69660 2.47347 -91.53994 919.09026
2075.0000 -95.83765 -91.30743 4.53022 2.48515 -91.40109 958.58799
2080.0000 -95.92081 -90.13623 5.78457 2.50512 -91.16358 982.44460
2085.0000 -95.55009 -90.54449 5.00560 2.58044 -90.26802 989.54768
2090.0000 -95.84226 -90.62785 5.21441 2.59286 -90.12035 1024.91124
2095.0000 -95.74413 -91.57696 4.16717 2.65795 -89.34639 1027.72878
2100.0000 -96.05726 -91.03882 5.01844 2.50772 -91.13265 970.20433
2105.0000 -96.12514 -91.59515 4.53000 2.47006 -91.58046 900.94952
2110.0000 -96.22860 -90.58319 5.64540 2.51326 -91.06682 919.65976
2115.0000 -94.00680 -89.51589 4.49091 2.66061 -89.31479 1109.58117
2120.0000 -94.89261 -89.01833 5.87428 2.70363 -88.80330 1102.36433
2125.0000 -95.38356 -89.99415 5.38941 2.56929 -90.40061 1006.93207
2130.0000 -94.10627 -88.36897 5.73730 2.69103 -88.95307 1092.07124
2135.0000 -94.96094 -89.47953 5.48141 2.66328 -89.28305 1061.29890
2140.0000 -95.60184 -90.92890 4.67293 2.53325 -90.82910 992.47671
2145.0000 -95.42682 -90.82048 4.60634 2.52257 -90.95611 980.56422
2150.0000 -94.86749 -88.96182 5.90567 2.60573 -89.96733 1046.12021
2155.0000 -95.18040 -89.80483 5.37558 2.62571 -89.72977 1035.03493
2160.0000 -95.03743 -89.95562 5.08181 2.65652 -89.36339 1106.70417
2165.0000 -95.53995 -88.92872 6.61123 2.64664 -89.48096 1026.66653
2170.0000 -94.28935 -89.61273 4.67661 2.66722 -89.23618 1115.14917
2175.0000 -94.70822 -89.35373 5.35449 2.66480 -89.26493 1085.79511
2180.0000 -97.88413 -92.34489 5.53924 2.56259 -90.48027 980.69598
2185.0000 -95.90816 -90.14283 5.76533 2.47220 -91.55499 917.50877
2190.0000 -96.29922 -90.43121 5.86801 2.59050 -90.14846 1032.20944
2195.0000 -96.22467 -91.27993 4.94474 2.49468 -91.28770 952.01851
2200.0000 -96.02613 -91.83326 4.19287 2.49547 -91.27841 958.67514
2205.0000 -96.86663 -92.38442 4.48221 2.41337 -92.25457 876.02236
2210.0000 -94.97401 -90.45193 4.52208 2.46570 -91.63237 941.58400
2215.0000 -95.75161 -89.70169 6.04992 2.62236 -89.76958 1024.53291
2220.0000 -95.81251 -89.94648 5.86603 2.63704 -89.59510 1102.89514
2225.0000 -96.32518 -90.95648 5.36870 2.57377 -90.34730 1008.47834
2230.0000 -95.50165 -90.18981 5.31184 2.56576 -90.44265 1023.18288
2235.0000 -95.86035 -90.20325 5.65710 2.60477 -89.97877 1036.97925
2240.0000 -97.31427 -92.53229 4.78198 2.48128 -91.44711 939.55838
2245.0000 -96.17613 -91.13692 5.03921 2.42566 -92.10839 903.03776
2250.0000 -96.00045 -90.60894 5.39151 2.54956 -90.63518 998.12137
FREEZING PROCESS: loop number 10 T-loop= 980.00000000000000
main_MD> interactions number 10 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.32547 -1.43114 1.35333
force_rgl> df(natom) -0.75931 -1.07592 1.96059
2255.0000 -96.64982 -90.77347 5.87635 2.53129 -90.85243 945.64019
2260.0000 -95.38950 -91.05074 4.33876 2.59498 -90.09519 1003.58842
2265.0000 -95.61357 -90.61015 5.00342 2.54045 -90.74353 967.86967
2270.0000 -95.63269 -90.82261 4.81008 2.58131 -90.25770 974.00658
2275.0000 -97.25305 -91.60266 5.65040 2.45640 -91.74289 889.96187
2280.0000 -96.82127 -92.65223 4.16904 2.42997 -92.05721 882.65323
2285.0000 -98.09507 -94.00447 4.09061 2.33611 -93.17322 833.09735
2290.0000 -97.92592 -93.81470 4.11121 2.32382 -93.31933 817.39618
2295.0000 -97.24765 -92.55361 4.69404 2.41503 -92.23484 886.95925
2300.0000 -95.71996 -89.97476 5.74520 2.47467 -91.52562 942.26130
2305.0000 -95.74583 -90.28217 5.46366 2.55609 -90.55755 984.67764
2310.0000 -96.68936 -91.70487 4.98449 2.50173 -91.20396 927.44268
2315.0000 -97.19002 -92.08555 5.10446 2.35586 -92.93833 865.10301
2320.0000 -95.90481 -90.75068 5.15414 2.53642 -90.79142 1028.68398
2325.0000 -96.21877 -90.70735 5.51142 2.58535 -90.20962 1012.56011
2330.0000 -94.80764 -89.84157 4.96607 2.53049 -90.86199 993.35425
2335.0000 -95.71280 -90.57170 5.14110 2.60667 -89.95613 996.32020
2340.0000 -96.06040 -89.59459 6.46581 2.56249 -90.48147 1009.90127
2345.0000 -95.63064 -91.19818 4.43246 2.59335 -90.11450 1051.16588
2350.0000 -96.31815 -90.52403 5.79412 2.52579 -90.91788 985.35011
2355.0000 -95.16863 -89.67708 5.49154 2.57747 -90.30341 1022.22374
2360.0000 -96.08987 -91.26383 4.82604 2.59178 -90.13326 1022.06314
2365.0000 -96.32262 -90.63958 5.68304 2.53635 -90.79233 981.08104
2370.0000 -96.43744 -91.15031 5.28713 2.56254 -90.48094 1029.23575
2375.0000 -95.60149 -90.45318 5.14831 2.50671 -91.14475 935.10887
2380.0000 -95.67413 -91.26756 4.40656 2.52876 -90.88253 970.54409
2385.0000 -96.00072 -90.80961 5.19111 2.49279 -91.31026 971.38549
2390.0000 -95.92879 -91.11495 4.81384 2.44595 -91.86721 933.86776
2395.0000 -95.50157 -90.17398 5.32759 2.54511 -90.68815 1037.64735
2400.0000 -96.88927 -90.25766 6.63161 2.56237 -90.48293 1017.06332
2405.0000 -96.89538 -90.95807 5.93731 2.50064 -91.21694 997.06536
2410.0000 -96.89444 -91.40763 5.48681 2.58193 -90.25029 1025.54627
2415.0000 -96.10750 -93.06754 3.03996 2.38965 -92.53661 844.58143
2420.0000 -96.52647 -91.90737 4.61910 2.42013 -92.17412 887.41278
2425.0000 -95.36765 -90.64396 4.72369 2.46409 -91.65149 956.04546
2430.0000 -96.82979 -91.10397 5.72582 2.54470 -90.69295 1012.07171
2435.0000 -96.39354 -91.22107 5.17247 2.48144 -91.44513 969.09259
2440.0000 -96.39764 -90.77382 5.62382 2.47990 -91.46351 888.26315
2445.0000 -95.72744 -90.81057 4.91687 2.52228 -90.95960 1006.25864
2450.0000 -96.51040 -90.56581 5.94459 2.58345 -90.23226 996.50613
2455.0000 -95.80833 -91.21309 4.59524 2.48904 -91.35479 948.38587
2460.0000 -96.11044 -92.08016 4.03028 2.51194 -91.08252 996.68684
2465.0000 -96.36558 -92.10438 4.26121 2.41821 -92.19704 852.76397
2470.0000 -96.26737 -90.99323 5.27413 2.52288 -90.95243 946.60134
2475.0000 -95.81332 -91.07264 4.74068 2.51750 -91.01639 961.31760
2480.0000 -96.47842 -91.28056 5.19786 2.52996 -90.86823 974.15546
2485.0000 -95.66796 -90.03964 5.62832 2.53958 -90.75383 990.93792
2490.0000 -96.46741 -90.81667 5.65074 2.60141 -90.01873 997.46871
2495.0000 -96.79157 -91.63454 5.15703 2.51308 -91.06892 963.15106
2500.0000 -97.06906 -91.94511 5.12395 2.41470 -92.23870 874.70269
FREEZING PROCESS: loop number 11 T-loop= 955.00000000000000
main_MD> interactions number 11 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.30367 0.90280 0.50748
force_rgl> df(natom) -0.93480 0.57598 -3.26904
2505.0000 -97.19158 -93.20755 3.98403 2.36254 -92.85895 826.45759
2510.0000 -96.67904 -91.66347 5.01557 2.46800 -91.60504 946.85142
2515.0000 -97.08179 -92.30411 4.77769 2.46281 -91.66665 904.28047
2520.0000 -95.86308 -89.99598 5.86710 2.57167 -90.37230 1009.61396
2525.0000 -95.42064 -90.51506 4.90557 2.63297 -89.64348 1019.74175
2530.0000 -97.21934 -91.22680 5.99254 2.52523 -90.92451 944.68320
2535.0000 -95.67237 -91.52196 4.15042 2.46218 -91.67414 920.54084
2540.0000 -95.64184 -89.46375 6.17809 2.56592 -90.44071 990.84152
2545.0000 -95.16911 -90.24629 4.92282 2.64340 -89.51944 1050.37630
2550.0000 -95.08184 -89.24050 5.84134 2.58865 -90.17048 995.41728
2555.0000 -95.72162 -89.96345 5.75817 2.62642 -89.72130 1049.46787
2560.0000 -95.87645 -90.74890 5.12755 2.59939 -90.04274 1015.17781
2565.0000 -97.32374 -92.07288 5.25086 2.48280 -91.42895 895.89674
2570.0000 -95.82929 -91.17578 4.65351 2.47759 -91.49094 968.40076
2575.0000 -95.71819 -91.03473 4.68346 2.45589 -91.74894 867.62143
2580.0000 -96.55488 -92.33627 4.21860 2.43769 -91.96540 872.05553
2585.0000 -97.92784 -92.88640 5.04144 2.36431 -92.83790 870.73350
2590.0000 -96.59379 -92.74174 3.85205 2.42381 -92.13036 897.63289
2595.0000 -96.82630 -92.33998 4.48632 2.38942 -92.53927 901.19337
2600.0000 -95.81396 -91.64905 4.16491 2.44861 -91.83547 904.74605
2605.0000 -96.76451 -91.59559 5.16893 2.46708 -91.61589 938.14256
2610.0000 -95.41999 -90.69343 4.72656 2.53192 -90.84501 997.38539
2615.0000 -96.67977 -91.65105 5.02872 2.44203 -91.91378 911.76957
2620.0000 -96.76557 -91.41600 5.34957 2.44780 -91.84514 904.60207
2625.0000 -95.80432 -91.69540 4.10892 2.47178 -91.56005 920.46676
2630.0000 -95.98430 -91.73629 4.24801 2.48060 -91.45511 921.83042
2635.0000 -98.11186 -93.05479 5.05707 2.43597 -91.98580 912.73981
2640.0000 -97.64899 -92.65905 4.98995 2.35960 -92.89387 876.20187
2645.0000 -97.25718 -92.79910 4.45808 2.38100 -92.63938 849.78161
2650.0000 -96.39072 -92.08128 4.30944 2.40319 -92.37559 864.90482
2655.0000 -95.99777 -91.11107 4.88670 2.50368 -91.18073 923.67334
2660.0000 -96.35480 -91.47272 4.88207 2.57226 -90.36533 968.97671
2665.0000 -97.28189 -91.97165 5.31024 2.48136 -91.44609 931.60490
2670.0000 -96.70627 -93.12380 3.58248 2.38024 -92.64841 855.47557
2675.0000 -96.50868 -90.36470 6.14398 2.47568 -91.51370 948.13240
2680.0000 -97.13129 -91.94832 5.18297 2.51441 -91.05315 991.01151
2685.0000 -97.84536 -93.28309 4.56228 2.37625 -92.69590 874.53707
2690.0000 -96.57273 -92.78228 3.79045 2.36300 -92.85348 829.21534
2695.0000 -96.82744 -92.60490 4.22253 2.40946 -92.30101 867.77699
2700.0000 -97.08613 -92.67705 4.40908 2.39057 -92.52562 849.56737
2705.0000 -96.64892 -90.96455 5.68436 2.43405 -92.00867 881.12488
2710.0000 -95.51307 -90.14323 5.36984 2.56481 -90.45386 1018.15033
2715.0000 -95.11988 -90.26678 4.85310 2.60548 -89.97031 1001.46965
2720.0000 -96.67907 -91.54707 5.13199 2.51924 -90.99575 947.18903
2725.0000 -97.70554 -92.89517 4.81036 2.44217 -91.91214 934.23375
2730.0000 -96.99603 -91.12957 5.86646 2.40284 -92.37980 876.09441
2735.0000 -96.04513 -90.39062 5.65451 2.53368 -90.82404 984.43823
2740.0000 -95.79602 -90.63050 5.16553 2.52229 -90.95941 929.44652
2745.0000 -97.17639 -92.09687 5.07952 2.49999 -91.22462 943.24216
2750.0000 -96.40741 -89.97814 6.42927 2.55945 -90.51761 950.64050
FREEZING PROCESS: loop number 12 T-loop= 930.00000000000000
main_MD> interactions number 12 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.03237 0.99258 1.40054
force_rgl> df(natom) -1.55312 -2.29615 2.01520
2755.0000 -94.24085 -89.33703 4.90382 2.57211 -90.36712 1013.02329
2760.0000 -96.84011 -90.69487 6.14525 2.60093 -90.02441 1013.03640
2765.0000 -96.44225 -91.29256 5.14970 2.53222 -90.84143 995.66234
2770.0000 -98.40695 -92.40181 6.00515 2.39267 -92.50065 850.80177
2775.0000 -97.09203 -92.57553 4.51650 2.40548 -92.34838 888.13551
2780.0000 -97.48319 -91.52140 5.96179 2.47098 -91.56956 965.26152
2785.0000 -97.58317 -93.12895 4.45422 2.35129 -92.99265 855.69700
2790.0000 -98.33298 -93.57184 4.76114 2.29799 -93.62642 811.27982
2795.0000 -97.11522 -92.20658 4.90864 2.42478 -92.11883 897.15575
2800.0000 -96.22818 -91.38038 4.84780 2.44193 -91.91499 921.37123
2805.0000 -96.08237 -91.37180 4.71057 2.48839 -91.36256 926.56878
2810.0000 -96.08326 -90.71105 5.37221 2.53287 -90.83363 934.23958
2815.0000 -95.45044 -91.39847 4.05196 2.46220 -91.67389 915.88565
2820.0000 -96.30820 -91.47737 4.83082 2.47631 -91.50612 913.98711
2825.0000 -96.51954 -91.40170 5.11783 2.47245 -91.55209 914.67394
2830.0000 -94.47240 -90.45095 4.02145 2.53457 -90.81343 959.29373
2835.0000 -95.76315 -90.65060 5.11255 2.54494 -90.69020 992.25266
2840.0000 -94.62522 -90.13454 4.49068 2.59779 -90.06172 1027.05401
2845.0000 -95.26698 -90.14601 5.12097 2.60563 -89.96856 986.06550
2850.0000 -95.80802 -90.67682 5.13120 2.62688 -89.71583 1061.82394
2855.0000 -94.28762 -89.94656 4.34107 2.55330 -90.59070 987.21060
2860.0000 -95.24562 -89.69019 5.55544 2.66597 -89.25108 1076.89197
2865.0000 -96.04147 -90.86699 5.17448 2.61297 -89.88132 1030.24518
2870.0000 -95.54529 -90.03801 5.50728 2.57625 -90.31784 1055.53062
2875.0000 -96.85938 -91.04258 5.81680 2.54664 -90.66999 993.92821
2880.0000 -96.64009 -92.21572 4.42437 2.46171 -91.67982 903.14213
2885.0000 -97.19418 -92.27113 4.92305 2.41336 -92.25470 893.01181
2890.0000 -96.04775 -91.34841 4.69934 2.45454 -91.76505 901.43972
2895.0000 -97.32514 -93.07490 4.25024 2.46223 -91.67357 908.47574
2900.0000 -96.23531 -92.05204 4.18327 2.45096 -91.80758 873.62608
2905.0000 -98.48382 -93.58843 4.89540 2.38037 -92.64692 850.65634
2910.0000 -97.58277 -92.45370 5.12907 2.36251 -92.85927 824.57827
2915.0000 -96.61913 -92.38771 4.23142 2.35695 -92.92540 787.90850
2920.0000 -96.47084 -90.90635 5.56449 2.52452 -90.93290 943.86970
2925.0000 -95.46109 -89.90172 5.55936 2.59474 -90.09803 1000.14409
2930.0000 -96.64392 -92.77925 3.86467 2.49895 -91.23697 916.92856
2935.0000 -96.54411 -92.30990 4.23421 2.41171 -92.27423 871.66751
2940.0000 -95.03385 -89.86872 5.16514 2.53655 -90.78996 994.41037
2945.0000 -96.11453 -90.31966 5.79487 2.58527 -90.21057 997.32931
2950.0000 -95.80522 -90.94975 4.85547 2.51671 -91.02583 971.72549
2955.0000 -95.90689 -91.04758 4.85932 2.53627 -90.79321 1003.57580
2960.0000 -95.64985 -90.12025 5.52960 2.52715 -90.90164 969.38142
2965.0000 -95.43421 -90.71124 4.72297 2.61058 -89.90972 1050.24016
2970.0000 -96.05312 -90.83949 5.21364 2.51443 -91.05287 928.23786
2975.0000 -96.00095 -90.96291 5.03803 2.45166 -91.79925 913.60947
2980.0000 -95.35372 -90.10323 5.25049 2.57443 -90.33947 1050.44386
2985.0000 -95.36159 -89.89047 5.47112 2.63573 -89.61065 1062.01609
2990.0000 -95.52755 -89.60699 5.92056 2.61656 -89.83861 1030.23547
2995.0000 -95.21212 -90.45656 4.75555 2.61874 -89.81265 1002.89611
3000.0000 -95.71350 -90.95342 4.76009 2.53623 -90.79367 968.76591
FREEZING PROCESS: loop number 13 T-loop= 905.00000000000000
main_MD> interactions number 13 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44087 3.51891 -3.43043
force_rgl> df(natom) -4.95334 0.64797 1.74193
3005.0000 -95.42564 -90.22329 5.20235 2.59590 -90.08424 1019.04349
3010.0000 -96.39379 -91.00801 5.38578 2.59861 -90.05195 1035.70070
3015.0000 -96.84948 -92.14021 4.70927 2.52698 -90.90369 977.91502
3020.0000 -97.09106 -91.97071 5.12035 2.43954 -91.94343 907.08179
3025.0000 -97.48973 -92.42197 5.06776 2.39917 -92.42339 876.12617
3030.0000 -97.53219 -93.68678 3.84541 2.32862 -93.26227 812.47016
3035.0000 -97.67850 -92.44113 5.23736 2.33604 -93.17402 816.40525
3040.0000 -95.85497 -91.14553 4.70944 2.42821 -92.07806 905.83704
3045.0000 -97.55882 -93.48384 4.07498 2.45146 -91.80169 911.67385
3050.0000 -97.13910 -93.42372 3.71538 2.30901 -93.49536 772.56933
3055.0000 -97.45453 -91.68178 5.77275 2.33983 -93.12899 798.54049
3060.0000 -96.15222 -91.66911 4.48311 2.44459 -91.88332 882.37481
3065.0000 -96.83385 -91.31363 5.52023 2.50764 -91.13369 960.13587
3070.0000 -97.35151 -91.66837 5.68315 2.47641 -91.50500 890.16154
3075.0000 -97.06014 -91.93218 5.12796 2.52398 -90.93936 952.20379
3080.0000 -96.73200 -92.16901 4.56298 2.44550 -91.87249 880.80195
3085.0000 -96.75099 -92.65211 4.09887 2.41780 -92.20186 891.37724
3090.0000 -98.42740 -93.77474 4.65265 2.35982 -92.89125 850.60443
3095.0000 -96.02708 -92.45250 3.57459 2.37082 -92.76047 883.71215
3100.0000 -95.92775 -90.65974 5.26801 2.51828 -91.00716 955.95634
3105.0000 -95.52673 -90.61798 4.90875 2.56575 -90.44270 1023.47194
3110.0000 -96.76638 -90.54179 6.22460 2.54561 -90.68220 980.58080
3115.0000 -95.09330 -90.24779 4.84550 2.57516 -90.33077 1002.19877
3120.0000 -95.57047 -91.69629 3.87417 2.50571 -91.15657 915.07140
3125.0000 -96.23128 -92.15100 4.08027 2.48297 -91.42702 918.43048
3130.0000 -95.34630 -91.32694 4.01936 2.46127 -91.68502 934.14316
3135.0000 -95.69070 -90.72078 4.96992 2.53528 -90.80496 955.89160
3140.0000 -96.67976 -91.43876 5.24100 2.53168 -90.84780 921.64049
3145.0000 -96.72965 -90.94374 5.78591 2.44807 -91.84193 914.76254
3150.0000 -95.44539 -91.26532 4.18007 2.48460 -91.40757 901.06340
3155.0000 -96.80667 -92.10645 4.70023 2.48077 -91.45316 927.65757
3160.0000 -95.95113 -90.21194 5.73919 2.48986 -91.34507 903.05051
3165.0000 -94.43143 -88.71833 5.71309 2.65279 -89.40777 1097.50007
3170.0000 -95.75890 -91.32920 4.42970 2.57827 -90.29386 981.92327
3175.0000 -96.32516 -92.02664 4.29852 2.38335 -92.61148 851.50120
3180.0000 -97.52258 -93.04416 4.47842 2.38652 -92.57382 884.29520
3185.0000 -96.96903 -91.66280 5.30623 2.40947 -92.30088 905.70058
3190.0000 -97.00206 -92.81303 4.18903 2.45592 -91.74866 883.29186
3195.0000 -97.42466 -92.60586 4.81880 2.34943 -93.01477 819.70592
3200.0000 -95.79929 -90.71292 5.08637 2.47401 -91.53352 936.71692
3205.0000 -98.03326 -91.86912 6.16415 2.51309 -91.06880 929.24153
3210.0000 -98.04866 -93.33175 4.71691 2.46622 -91.62610 906.25262
3215.0000 -97.02534 -92.47934 4.54600 2.38905 -92.54371 840.40231
3220.0000 -96.84933 -91.34325 5.50609 2.45924 -91.70909 940.01512
3225.0000 -96.71150 -91.63764 5.07385 2.53810 -90.77146 973.46220
3230.0000 -96.46976 -90.91212 5.55763 2.49594 -91.27273 963.90254
3235.0000 -97.52080 -92.53270 4.98810 2.43598 -91.98569 938.00002
3240.0000 -96.45756 -91.73304 4.72453 2.48327 -91.42340 939.76372
3245.0000 -96.82588 -92.08064 4.74523 2.46794 -91.60574 920.63415
3250.0000 -96.18934 -92.13901 4.05033 2.45264 -91.78760 910.11002
FREEZING PROCESS: loop number 14 T-loop= 880.00000000000000
main_MD> interactions number 14 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.96705 2.82612 -1.83427
force_rgl> df(natom) 3.22775 -2.62707 -6.90796
3255.0000 -97.26476 -93.18716 4.07760 2.36615 -92.81602 814.98956
3260.0000 -96.64087 -92.57629 4.06458 2.36891 -92.78313 852.03139
3265.0000 -97.29167 -92.70682 4.58485 2.42182 -92.15409 893.01099
3270.0000 -97.03219 -91.90856 5.12364 2.40345 -92.37248 849.91809
3275.0000 -95.00092 -90.24154 4.75938 2.54438 -90.69678 991.21627
3280.0000 -96.11809 -91.00180 5.11629 2.50541 -91.16015 939.16673
3285.0000 -96.22401 -91.45697 4.76704 2.51374 -91.06113 999.06541
3290.0000 -97.38609 -92.81201 4.57409 2.42158 -92.15686 895.39159
3295.0000 -97.76124 -92.58761 5.17363 2.36185 -92.86715 815.94000
3300.0000 -96.77135 -91.65286 5.11850 2.42141 -92.15892 891.33130
3305.0000 -96.92703 -91.94102 4.98602 2.43804 -91.96119 861.82952
3310.0000 -96.83843 -92.64263 4.19581 2.45474 -91.76264 914.72016
3315.0000 -96.88990 -92.91730 3.97260 2.34055 -93.12039 811.64065
3320.0000 -96.47652 -92.18552 4.29100 2.40983 -92.29665 879.55330
3325.0000 -97.42337 -92.58181 4.84157 2.38825 -92.55327 830.04991
3330.0000 -96.91813 -92.52171 4.39643 2.46570 -91.63230 947.79254
3335.0000 -98.00879 -93.59958 4.40921 2.37532 -92.70695 888.67138
3340.0000 -97.21034 -92.24379 4.96655 2.32238 -93.33649 850.93405
3345.0000 -96.59818 -92.54909 4.04910 2.40482 -92.35618 878.27402
3350.0000 -96.34166 -91.34465 4.99701 2.37596 -92.69937 833.51318
3355.0000 -95.37527 -91.09404 4.28122 2.45201 -91.79505 879.26793
3360.0000 -96.21609 -91.01437 5.20172 2.50409 -91.17591 923.32528
3365.0000 -96.32398 -90.44181 5.88216 2.58557 -90.20707 1015.73941
3370.0000 -96.37628 -91.98606 4.39023 2.54851 -90.64771 954.41756
3375.0000 -96.67676 -91.65665 5.02011 2.42044 -92.17053 869.44665
3380.0000 -95.91600 -90.62636 5.28964 2.46137 -91.68379 922.55686
3385.0000 -95.47491 -91.22678 4.24813 2.57397 -90.34500 1006.91749
3390.0000 -96.52302 -91.98865 4.53437 2.45295 -91.78398 899.27406
3395.0000 -97.57240 -92.24913 5.32327 2.36217 -92.86335 821.13472
3400.0000 -97.20048 -93.09634 4.10414 2.36967 -92.77417 856.57154
3405.0000 -97.00144 -92.73628 4.26517 2.32373 -93.32034 830.71696
3410.0000 -97.51882 -93.40326 4.11557 2.35816 -92.91100 818.58989
3415.0000 -96.91609 -92.39527 4.52082 2.38741 -92.56318 855.68729
3420.0000 -97.39360 -92.93503 4.45857 2.37126 -92.75519 868.57664
3425.0000 -97.59226 -92.87465 4.71761 2.38246 -92.62212 886.25273
3430.0000 -97.46976 -93.03440 4.43536 2.31452 -93.42986 822.99564
3435.0000 -97.55448 -93.24156 4.31292 2.32253 -93.33461 819.67644
3440.0000 -96.47659 -92.16088 4.31571 2.38982 -92.53458 871.81445
3445.0000 -96.43916 -91.99562 4.44354 2.48565 -91.39510 931.70787
3450.0000 -96.95049 -92.00144 4.94905 2.42122 -92.16115 883.52181
3455.0000 -96.68727 -92.57204 4.11523 2.39530 -92.46941 852.20260
3460.0000 -97.27449 -92.82630 4.44820 2.41280 -92.26127 897.19061
3465.0000 -95.89365 -91.39121 4.50244 2.41453 -92.24072 839.10234
3470.0000 -97.41548 -92.09495 5.32052 2.47235 -91.55329 904.22868
3475.0000 -96.08659 -92.46995 3.61664 2.43252 -92.02689 898.74546
3480.0000 -95.50273 -91.75334 3.74938 2.41681 -92.21362 903.51462
3485.0000 -96.81357 -92.62696 4.18661 2.38415 -92.60198 835.74226
3490.0000 -96.74498 -92.01866 4.72632 2.46788 -91.60636 923.89539
3495.0000 -97.44660 -93.31015 4.13645 2.36821 -92.79150 863.44355
3500.0000 -98.19775 -93.63079 4.56696 2.30070 -93.59421 796.59114
FREEZING PROCESS: loop number 15 T-loop= 855.00000000000000
main_MD> interactions number 15 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93487 -3.19943 -0.78926
force_rgl> df(natom) -2.32480 2.31916 -0.69117
3505.0000 -96.90252 -92.48671 4.41580 2.33675 -93.16560 824.36936
3510.0000 -96.96274 -92.40335 4.55939 2.39474 -92.47602 846.15550
3515.0000 -98.02122 -93.63517 4.38605 2.36743 -92.80081 817.30917
3520.0000 -98.01836 -93.07729 4.94107 2.33982 -93.12909 767.47407
3525.0000 -96.92392 -92.18634 4.73758 2.42906 -92.06793 930.19352
3530.0000 -98.01222 -93.43518 4.57704 2.35575 -92.93967 843.36278
3535.0000 -97.55328 -93.19197 4.36131 2.31696 -93.40086 807.58652
3540.0000 -96.75301 -91.83828 4.91474 2.38825 -92.55317 871.98476
3545.0000 -95.75486 -91.84498 3.90988 2.42167 -92.15586 918.11105
3550.0000 -97.38873 -92.59192 4.79681 2.44943 -91.82584 879.63465
3555.0000 -96.19367 -91.49955 4.69412 2.38563 -92.58432 897.88321
3560.0000 -97.29333 -92.64169 4.65164 2.42953 -92.06236 888.31550
3565.0000 -97.77799 -93.61632 4.16168 2.34101 -93.11495 826.40687
3570.0000 -97.47798 -92.74952 4.72845 2.35983 -92.89111 824.81936
3575.0000 -96.66293 -92.75546 3.90747 2.36591 -92.81881 797.32462
3580.0000 -95.58867 -91.13418 4.45449 2.37791 -92.67621 837.07263
3585.0000 -95.74624 -91.15614 4.59010 2.50882 -91.11958 919.94209
3590.0000 -97.25838 -92.30293 4.95545 2.42354 -92.13367 868.61487
3595.0000 -97.55853 -92.31315 5.24538 2.33032 -93.24196 815.74973
3600.0000 -96.66398 -92.14789 4.51609 2.44279 -91.90477 901.43173
3605.0000 -96.68634 -91.20447 5.48187 2.46890 -91.59426 920.52264
3610.0000 -97.37816 -91.71411 5.66406 2.47035 -91.57707 943.42041
3615.0000 -95.24200 -91.35591 3.88609 2.39669 -92.45287 834.60760
3620.0000 -96.02122 -91.97926 4.04196 2.51658 -91.02740 956.48196
3625.0000 -97.66887 -92.50856 5.16030 2.46379 -91.65508 918.74894
3630.0000 -96.26103 -92.14973 4.11130 2.41861 -92.19228 878.83877
3635.0000 -96.87639 -91.44766 5.42873 2.47595 -91.51051 915.29217
3640.0000 -97.05273 -93.52722 3.52551 2.42409 -92.12705 864.03475
3645.0000 -96.58704 -92.58862 3.99842 2.35480 -92.95096 826.56942
3650.0000 -97.79076 -92.79321 4.99756 2.36705 -92.80525 858.81605
3655.0000 -96.81715 -91.97348 4.84367 2.38135 -92.63532 851.43647
3660.0000 -96.71850 -92.49860 4.21990 2.40043 -92.40834 879.08806
3665.0000 -96.46186 -91.44630 5.01556 2.41872 -92.19088 859.74297
3670.0000 -97.19617 -92.26755 4.92862 2.46011 -91.69882 938.24572
3675.0000 -97.00967 -91.31851 5.69116 2.43442 -92.00431 886.51569
3680.0000 -96.90340 -92.05490 4.84850 2.48101 -91.45034 966.20181
3685.0000 -96.54574 -92.65890 3.88683 2.39768 -92.44109 880.71767
3690.0000 -96.93063 -91.85329 5.07733 2.40313 -92.37624 908.71700
3695.0000 -96.78147 -91.47765 5.30382 2.44382 -91.89252 869.38113
3700.0000 -97.38316 -92.37234 5.01081 2.39679 -92.45173 856.69302
3705.0000 -96.68075 -91.64281 5.03794 2.43893 -91.95066 878.77447
3710.0000 -95.88492 -91.50274 4.38217 2.47185 -91.55924 917.90969
3715.0000 -98.22060 -93.10198 5.11862 2.40992 -92.29551 857.40820
3720.0000 -95.68260 -91.87243 3.81017 2.36828 -92.79070 878.42753
3725.0000 -96.17560 -90.63701 5.53859 2.52688 -90.90485 988.36412
3730.0000 -96.66042 -92.38782 4.27260 2.45174 -91.79836 941.24312
3735.0000 -98.41682 -93.77975 4.63707 2.31297 -93.44833 782.95300
3740.0000 -98.10564 -93.91335 4.19229 2.28222 -93.81397 792.67789
3745.0000 -96.97392 -92.35759 4.61632 2.31169 -93.46358 850.17254
3750.0000 -96.64317 -92.62061 4.02256 2.39251 -92.50252 899.22639
FREEZING PROCESS: loop number 16 T-loop= 830.00000000000000
main_MD> interactions number 16 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65897 -2.91114 0.61317
force_rgl> df(natom) -1.72261 2.65494 -3.21384
3755.0000 -97.34480 -92.72989 4.61492 2.37458 -92.71578 814.83146
3760.0000 -96.34025 -91.92957 4.41068 2.44691 -91.85570 912.73328
3765.0000 -98.21784 -93.83229 4.38555 2.38559 -92.58483 873.01297
3770.0000 -99.34365 -94.95630 4.38734 2.26524 -94.01587 767.15378
3775.0000 -98.91118 -93.64035 5.27083 2.20125 -94.77673 714.14806
3780.0000 -97.49329 -92.97981 4.51348 2.33065 -93.23815 794.79477
3785.0000 -97.53128 -92.67308 4.85820 2.37687 -92.68849 854.28678
3790.0000 -97.60264 -93.14672 4.45592 2.36132 -92.87347 851.04728
3795.0000 -98.76861 -94.58308 4.18554 2.22021 -94.55120 737.50952
3800.0000 -98.09419 -94.03070 4.06349 2.26155 -94.05967 754.08359
3805.0000 -98.39519 -94.17096 4.22422 2.24019 -94.31369 748.67624
3810.0000 -98.07372 -94.12571 3.94801 2.22655 -94.47591 743.77550
3815.0000 -98.56225 -94.37033 4.19192 2.29509 -93.66094 823.90491
3820.0000 -98.67196 -95.29622 3.37575 2.17034 -95.14422 738.31785
3825.0000 -98.53911 -94.08125 4.45786 2.21633 -94.59736 739.37259
3830.0000 -95.85580 -91.99334 3.86246 2.27233 -93.93154 806.70644
3835.0000 -95.34667 -90.63366 4.71302 2.46867 -91.59704 896.19647
3840.0000 -97.03164 -92.87653 4.15511 2.52882 -90.88178 942.87175
3845.0000 -98.20969 -95.15635 3.05334 2.32017 -93.36267 773.06774
3850.0000 -97.68379 -93.89079 3.79300 2.23926 -94.32476 735.34894
3855.0000 -97.47817 -93.67515 3.80302 2.26850 -93.97712 764.92512
3860.0000 -97.54943 -93.38014 4.16929 2.37070 -92.76191 820.83829
3865.0000 -96.60194 -91.90774 4.69419 2.37317 -92.73250 844.91553
3870.0000 -96.21404 -91.49218 4.72186 2.44095 -91.92657 914.21373
3875.0000 -97.31058 -92.23320 5.07738 2.45598 -91.74786 926.93954
3880.0000 -98.72833 -94.44567 4.28266 2.29297 -93.68609 788.76926
3885.0000 -98.54566 -94.22226 4.32340 2.23383 -94.38936 748.18275
3890.0000 -97.71538 -94.19031 3.52507 2.28151 -93.82243 800.70015
3895.0000 -99.36901 -95.40311 3.96591 2.23181 -94.41328 766.80103
3900.0000 -98.30317 -93.62826 4.67491 2.22607 -94.48156 763.43683
3905.0000 -96.85706 -93.16851 3.68855 2.34476 -93.07030 804.14981
3910.0000 -97.03866 -93.08694 3.95172 2.37494 -92.71149 852.97216
3915.0000 -97.72433 -93.25210 4.47222 2.33809 -93.14964 838.31668
3920.0000 -97.09490 -91.87485 5.22005 2.39147 -92.51493 878.96777
3925.0000 -97.64902 -92.44021 5.20880 2.41338 -92.25447 885.38978
3930.0000 -96.00415 -90.56524 5.43891 2.48562 -91.39547 938.28299
3935.0000 -97.95776 -93.09277 4.86500 2.41840 -92.19468 916.83247
3940.0000 -98.19689 -93.41774 4.77916 2.29255 -93.69108 788.39237
3945.0000 -97.86514 -93.33236 4.53278 2.34289 -93.09261 848.71020
3950.0000 -97.10713 -93.40859 3.69854 2.34812 -93.03032 817.32797
3955.0000 -97.93752 -93.41856 4.51896 2.25686 -94.11553 756.63635
3960.0000 -97.59589 -92.65938 4.93651 2.35380 -92.96289 858.01237
3965.0000 -97.57378 -93.30647 4.26731 2.36529 -92.82617 850.74150
3970.0000 -97.37704 -93.47898 3.89806 2.32062 -93.35732 820.24425
3975.0000 -95.97497 -91.18433 4.79063 2.41086 -92.28438 902.24849
3980.0000 -96.03283 -89.45001 6.58282 2.54781 -90.65599 956.46597
3985.0000 -97.82615 -91.77006 6.05609 2.55077 -90.62081 1001.09599
3990.0000 -96.40730 -92.62110 3.78621 2.44347 -91.89665 903.29377
3995.0000 -97.00423 -92.83502 4.16921 2.39867 -92.42938 882.58635
4000.0000 -97.04597 -92.11697 4.92900 2.38503 -92.59153 852.80578
FREEZING PROCESS: loop number 17 T-loop= 805.00000000000000
main_MD> interactions number 17 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.20292 0.20271 -3.46226
force_rgl> df(natom) -0.08342 -4.75065 0.76088
4005.0000 -97.41341 -92.94384 4.46956 2.39665 -92.45337 860.16093
4010.0000 -96.48780 -92.86389 3.62391 2.32574 -93.29650 783.30309
4015.0000 -96.69226 -92.32548 4.36679 2.38195 -92.62812 826.85668
4020.0000 -97.62239 -92.74514 4.87725 2.43341 -92.01622 862.72191
4025.0000 -98.14987 -93.90856 4.24131 2.29785 -93.62815 789.93795
4030.0000 -97.64536 -92.80307 4.84230 2.32463 -93.30963 841.48206
4035.0000 -97.61378 -93.38776 4.22602 2.32340 -93.32432 818.13626
4040.0000 -97.35728 -93.51071 3.84656 2.30758 -93.51244 786.86536
4045.0000 -98.10853 -93.83390 4.27464 2.29809 -93.62529 776.73963
4050.0000 -97.57266 -93.58219 3.99047 2.28002 -93.84004 786.43841
4055.0000 -98.91002 -94.54161 4.36840 2.24924 -94.20614 766.39667
4060.0000 -99.44094 -95.23957 4.20137 2.20397 -94.74431 740.54668
4065.0000 -97.56033 -93.58796 3.97237 2.28307 -93.80379 788.78060
4070.0000 -97.07224 -93.81033 3.26191 2.31317 -93.44589 814.17112
4075.0000 -98.70068 -94.19474 4.50593 2.27481 -93.90210 791.02748
4080.0000 -98.03929 -94.00395 4.03535 2.24357 -94.27354 756.21533
4085.0000 -97.61803 -92.43950 5.17853 2.33562 -93.17895 818.92206
4090.0000 -97.67683 -93.11191 4.56493 2.34864 -93.02414 837.15395
4095.0000 -99.00659 -93.18559 5.82099 2.35676 -92.92764 848.74260
4100.0000 -97.10400 -92.78982 4.31418 2.35121 -92.99359 844.62271
4105.0000 -97.86648 -93.05730 4.80918 2.40160 -92.39451 864.99741
4110.0000 -99.29946 -94.28875 5.01071 2.27972 -93.84364 747.17804
4115.0000 -96.93204 -92.56269 4.36936 2.31016 -93.48178 795.01298
4120.0000 -97.93316 -94.12912 3.80404 2.31687 -93.40190 806.82211
4125.0000 -97.87648 -93.00657 4.86990 2.30507 -93.54222 815.50092
4130.0000 -97.91446 -93.87611 4.03835 2.31197 -93.46016 789.33381
4135.0000 -97.43952 -93.40185 4.03767 2.25392 -94.15045 754.82927
4140.0000 -97.15372 -92.96793 4.18579 2.33301 -93.21005 816.77021
4145.0000 -97.09229 -93.10117 3.99112 2.35206 -92.98357 859.88960
4150.0000 -98.09085 -93.96765 4.12320 2.28835 -93.74106 776.47263
4155.0000 -99.11476 -94.35391 4.76085 2.26574 -94.00989 731.81771
4160.0000 -97.33128 -94.29325 3.03803 2.25469 -94.14129 779.40694
4165.0000 -97.47116 -93.38033 4.09083 2.25304 -94.16086 725.17600
4170.0000 -99.68355 -94.65532 5.02822 2.25229 -94.16982 743.91325
4175.0000 -97.16748 -92.66144 4.50603 2.28508 -93.77993 806.52464
4180.0000 -97.96429 -94.37090 3.59339 2.30113 -93.58912 782.49225
4185.0000 -97.30650 -93.63492 3.67159 2.25308 -94.16047 754.71347
4190.0000 -97.09736 -91.88002 5.21734 2.35739 -92.92019 830.04002
4195.0000 -96.54571 -92.39962 4.14608 2.41992 -92.17671 840.22486
4200.0000 -97.59542 -92.75110 4.84432 2.43269 -92.02487 862.17842
4205.0000 -97.29637 -92.48407 4.81231 2.38049 -92.64550 824.27630
4210.0000 -96.84493 -92.51929 4.32563 2.35052 -93.00182 814.63180
4215.0000 -97.68173 -93.10838 4.57335 2.34636 -93.05130 815.27327
4220.0000 -96.76293 -92.19833 4.56460 2.38245 -92.62216 859.05332
4225.0000 -97.14608 -93.14443 4.00166 2.41307 -92.25813 900.27446
4230.0000 -97.29852 -93.16730 4.13122 2.29760 -93.63102 812.00933
4235.0000 -97.72307 -93.74374 3.97933 2.31707 -93.39954 800.23125
4240.0000 -97.11208 -93.17696 3.93512 2.32806 -93.26886 835.70821
4245.0000 -97.74530 -93.10152 4.64378 2.36732 -92.80208 860.07557
4250.0000 -98.20394 -94.47797 3.72597 2.31663 -93.40481 811.52689
FREEZING PROCESS: loop number 18 T-loop= 780.00000000000000
main_MD> interactions number 18 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.93905 0.93818 -1.33044
force_rgl> df(natom) 5.20491 -4.86797 -0.29032
4255.0000 -98.04590 -94.59714 3.44876 2.21436 -94.62083 735.62388
4260.0000 -97.49434 -93.65073 3.84361 2.28221 -93.81404 795.59806
4265.0000 -97.90822 -92.86430 5.04392 2.31691 -93.40143 823.87001
4270.0000 -98.37458 -92.42486 5.94973 2.36979 -92.77273 864.01849
4275.0000 -97.48163 -92.96663 4.51500 2.37107 -92.75755 846.53108
4280.0000 -96.46403 -91.84122 4.62281 2.43347 -92.01558 911.32284
4285.0000 -95.18960 -90.72913 4.46048 2.50912 -91.11602 971.48833
4290.0000 -97.28935 -92.89014 4.39920 2.41542 -92.23022 877.35056
4295.0000 -98.62480 -93.83797 4.78683 2.33208 -93.22105 820.40206
4300.0000 -97.78401 -94.12439 3.65962 2.22140 -94.53705 715.81166
4305.0000 -98.01514 -94.35017 3.66497 2.25721 -94.11131 743.86137
4310.0000 -98.68310 -94.78299 3.90011 2.23182 -94.41322 748.62394
4315.0000 -97.22104 -93.36233 3.85871 2.28168 -93.82035 778.63404
4320.0000 -97.94212 -93.15074 4.79137 2.28090 -93.82967 801.07514
4325.0000 -97.35884 -93.33012 4.02872 2.41799 -92.19965 883.91791
4330.0000 -97.99021 -93.61390 4.37632 2.32786 -93.27128 792.05192
4335.0000 -98.88672 -95.09412 3.79260 2.21623 -94.59855 695.59925
4340.0000 -99.33925 -95.60564 3.73361 2.17699 -95.06518 676.30431
4345.0000 -98.87045 -93.99326 4.87719 2.24290 -94.28145 768.64015
4350.0000 -99.13801 -95.45302 3.68499 2.20956 -94.67786 699.44918
4355.0000 -99.27365 -95.11365 4.16001 2.14739 -95.41708 680.55467
4360.0000 -98.05940 -94.30825 3.75115 2.23418 -94.38511 726.37851
4365.0000 -96.63008 -92.09649 4.53359 2.32793 -93.27047 783.40903
4370.0000 -95.83012 -91.77836 4.05176 2.41242 -92.26580 875.10683
4375.0000 -97.80111 -93.31056 4.49055 2.34023 -93.12420 817.57978
4380.0000 -97.11830 -93.32178 3.79652 2.39243 -92.50352 827.49260
4385.0000 -97.90000 -94.45726 3.44274 2.26285 -94.04425 779.83728
4390.0000 -98.41759 -94.70411 3.71348 2.20401 -94.74383 728.43796
4395.0000 -98.26067 -94.29073 3.96994 2.19202 -94.88647 701.91232
4400.0000 -98.34564 -94.63120 3.71444 2.18494 -94.97063 715.88640
4405.0000 -97.07952 -93.26154 3.81798 2.28108 -93.82744 767.62713
4410.0000 -97.14275 -92.45113 4.69162 2.33623 -93.17178 814.63000
4415.0000 -96.87620 -93.33349 3.54271 2.40846 -92.31292 858.35392
4420.0000 -98.49729 -94.42139 4.07590 2.25790 -94.10306 747.84729
4425.0000 -97.43884 -92.89343 4.54541 2.30245 -93.57346 792.83717
4430.0000 -97.87324 -93.75998 4.11326 2.32491 -93.30641 827.33073
4435.0000 -97.61856 -93.58244 4.03611 2.30447 -93.54939 776.91768
4440.0000 -97.93732 -94.39479 3.54254 2.25721 -94.11130 731.44919
4445.0000 -98.31881 -93.54421 4.77460 2.25960 -94.08288 744.73221
4450.0000 -97.22674 -92.61495 4.61179 2.37764 -92.67940 877.33580
4455.0000 -97.62788 -94.12774 3.50014 2.30883 -93.49752 774.22130
4460.0000 -98.79606 -95.00950 3.78656 2.20937 -94.68009 724.65564
4465.0000 -98.01212 -93.56666 4.44546 2.21889 -94.56690 760.11327
4470.0000 -95.91232 -91.92867 3.98365 2.35659 -92.92971 816.58150
4475.0000 -96.72521 -91.65060 5.07461 2.45759 -91.72879 861.31779
4480.0000 -96.15383 -91.73573 4.41811 2.48806 -91.36643 919.72270
4485.0000 -99.08399 -93.95053 5.13346 2.46265 -91.66855 918.71718
4490.0000 -98.57125 -93.60367 4.96758 2.34084 -93.11699 848.93464
4495.0000 -97.97175 -93.00453 4.96723 2.34536 -93.06314 838.24358
4500.0000 -98.22939 -94.03743 4.19196 2.33614 -93.17277 828.66804
FREEZING PROCESS: loop number 19 T-loop= 755.00000000000000
main_MD> interactions number 19 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08450 0.97684 -2.16837
force_rgl> df(natom) 0.19428 0.23887 -1.10360
4505.0000 -97.64465 -94.08347 3.56118 2.24269 -94.28394 740.70199
4510.0000 -97.52840 -93.57234 3.95606 2.31173 -93.46304 810.00124
4515.0000 -98.16705 -93.99391 4.17314 2.27400 -93.91166 772.73070
4520.0000 -97.82493 -94.42895 3.39597 2.24871 -94.21238 738.47775
4525.0000 -98.03979 -94.06598 3.97381 2.23414 -94.38557 709.29055
4530.0000 -98.93621 -94.66939 4.26682 2.18152 -95.01127 659.07821
4535.0000 -98.69000 -95.29412 3.39588 2.17756 -95.05837 670.62617
4540.0000 -98.48488 -95.14577 3.33910 2.13469 -95.56807 627.52162
4545.0000 -97.79468 -94.22143 3.57325 2.23465 -94.37959 730.12750
4550.0000 -97.33754 -92.99266 4.34488 2.31893 -93.37748 774.20452
4555.0000 -97.92519 -93.78464 4.14055 2.27534 -93.89573 759.61750
4560.0000 -97.86115 -94.31995 3.54121 2.28723 -93.75431 766.23165
4565.0000 -97.61555 -94.06981 3.54574 2.27796 -93.86458 745.54906
4570.0000 -98.34819 -93.72037 4.62782 2.30143 -93.58550 770.51090
4575.0000 -98.31373 -93.88226 4.43146 2.25275 -94.16430 748.22217
4580.0000 -97.80150 -93.61685 4.18465 2.33618 -93.17240 840.92048
4585.0000 -97.71445 -93.89767 3.81678 2.32116 -93.35091 799.01298
4590.0000 -98.55823 -93.64239 4.91585 2.34829 -93.02841 852.83719
4595.0000 -97.74260 -93.59976 4.14283 2.31750 -93.39445 815.74565
4600.0000 -97.83729 -93.16973 4.66756 2.28728 -93.75379 752.00975
4605.0000 -97.18910 -93.61707 3.57203 2.31202 -93.45964 786.77418
4610.0000 -97.47828 -93.45130 4.02697 2.25007 -94.19625 751.39810
4615.0000 -98.29150 -94.20965 4.08185 2.28342 -93.79968 739.53243
4620.0000 -96.82596 -93.82051 3.00545 2.22804 -94.45816 724.50352
4625.0000 -97.88962 -93.12987 4.75975 2.32904 -93.25729 792.92768
4630.0000 -98.05127 -94.78660 3.26466 2.27163 -93.93985 758.57725
4635.0000 -97.54435 -94.14258 3.40178 2.20301 -94.75581 705.93304
4640.0000 -97.64882 -93.97067 3.67815 2.26532 -94.01485 727.25822
4645.0000 -98.52472 -93.89079 4.63393 2.25239 -94.16867 744.66425
4650.0000 -98.05863 -94.42036 3.63827 2.24586 -94.24630 747.95378
4655.0000 -98.29574 -94.48166 3.81408 2.21680 -94.59182 725.75009
4660.0000 -98.28490 -93.94093 4.34396 2.28606 -93.76828 769.11421
4665.0000 -98.02358 -94.37705 3.64653 2.25080 -94.18757 738.28679
4670.0000 -97.48351 -93.08691 4.39659 2.30429 -93.55157 798.79385
4675.0000 -99.22658 -94.95297 4.27362 2.25328 -94.15807 771.03016
4680.0000 -98.85123 -95.26190 3.58933 2.18545 -94.96452 699.49614
4685.0000 -98.40755 -93.57156 4.83599 2.23776 -94.34259 742.48993
4690.0000 -97.75091 -94.03787 3.71305 2.28512 -93.77947 786.26748
4695.0000 -97.34581 -93.61494 3.73087 2.32743 -93.27642 830.21684
4700.0000 -97.43714 -94.21652 3.22062 2.28839 -93.74063 784.34546
4705.0000 -98.86435 -95.31437 3.54998 2.17519 -95.08657 677.56319
4710.0000 -98.38692 -95.31995 3.06697 2.17918 -95.03910 716.87973
4715.0000 -98.66575 -94.55858 4.10718 2.19132 -94.89472 723.16095
4720.0000 -99.10278 -94.65275 4.45004 2.19518 -94.84888 716.77107
4725.0000 -97.80811 -93.30061 4.50750 2.22364 -94.51043 740.01839
4730.0000 -98.00849 -94.05022 3.95827 2.25018 -94.19486 729.74555
4735.0000 -98.17827 -93.95862 4.21965 2.19687 -94.82878 702.83499
4740.0000 -97.88242 -93.29359 4.58883 2.31348 -93.44223 759.15415
4745.0000 -97.02003 -92.37394 4.64610 2.31619 -93.41005 768.79892
4750.0000 -97.20933 -92.79193 4.41740 2.39979 -92.41601 903.77769
FREEZING PROCESS: loop number 20 T-loop= 730.00000000000000
main_MD> interactions number 20 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.38575 0.84844 3.04918
force_rgl> df(natom) 1.19826 -1.61379 0.33657
4755.0000 -96.61481 -92.46474 4.15007 2.36734 -92.80187 858.41832
4760.0000 -96.86511 -93.06143 3.80368 2.36904 -92.78169 805.64283
4765.0000 -98.44549 -94.61534 3.83015 2.26949 -93.96527 745.71462
4770.0000 -99.36779 -94.86351 4.50428 2.16864 -95.16448 709.82565
4775.0000 -97.87634 -94.53713 3.33920 2.21990 -94.55496 719.17923
4780.0000 -98.24596 -94.30360 3.94236 2.23533 -94.37146 744.25684
4785.0000 -97.74298 -94.45692 3.28606 2.19556 -94.84430 700.00690
4790.0000 -97.73504 -94.06153 3.67351 2.25948 -94.08435 735.46025
4795.0000 -98.30478 -93.95996 4.34483 2.24194 -94.29292 755.10526
4800.0000 -97.38020 -93.38631 3.99389 2.29878 -93.61707 754.50464
4805.0000 -97.65185 -93.49062 4.16124 2.22848 -94.45288 709.03577
4810.0000 -98.32980 -94.73602 3.59378 2.23930 -94.32427 756.25045
4815.0000 -100.02923 -95.51134 4.51790 2.19679 -94.82973 701.63943
4820.0000 -98.62715 -95.09523 3.53192 2.10942 -95.86853 637.20678
4825.0000 -99.01178 -94.53174 4.48004 2.16173 -95.24658 697.22435
4830.0000 -97.50569 -93.89554 3.61015 2.22526 -94.49123 734.58059
4835.0000 -98.57137 -94.68206 3.88930 2.28536 -93.77665 798.26660
4840.0000 -99.09751 -95.18043 3.91708 2.20372 -94.74736 699.38725
4845.0000 -97.51675 -94.05487 3.46188 2.25536 -94.13332 747.27359
4850.0000 -98.49233 -94.47935 4.01298 2.27640 -93.88312 749.92274
4855.0000 -97.92429 -94.13895 3.78534 2.18571 -94.96152 705.33569
4860.0000 -98.81496 -94.95886 3.85611 2.18936 -94.91813 695.51855
4865.0000 -97.40989 -94.32632 3.08358 2.20425 -94.74106 698.79205
4870.0000 -98.86048 -94.87441 3.98607 2.19660 -94.83196 704.92018
4875.0000 -97.41489 -93.44897 3.96592 2.23185 -94.41291 727.92500
4880.0000 -96.63443 -92.55184 4.08259 2.31338 -93.44347 788.56237
4885.0000 -97.29781 -93.61834 3.67947 2.34418 -93.07720 836.41035
4890.0000 -97.24626 -93.50721 3.73905 2.31047 -93.47810 757.27368
4895.0000 -98.36879 -94.47220 3.89659 2.26078 -94.06890 702.77884
4900.0000 -96.38874 -92.69251 3.69623 2.31686 -93.40210 822.64466
4905.0000 -97.79836 -94.17131 3.62705 2.32980 -93.24822 809.95036
4910.0000 -97.41955 -94.05323 3.36632 2.24882 -94.21112 777.56658
4915.0000 -98.45440 -94.80229 3.65211 2.16835 -95.16793 683.05179
4920.0000 -98.65075 -95.21839 3.43236 2.16324 -95.22861 689.92909
4925.0000 -98.53616 -94.62886 3.90729 2.23010 -94.43361 739.36140
4930.0000 -98.17036 -94.21500 3.95536 2.26744 -93.98971 784.39094
4935.0000 -99.68782 -95.65104 4.03678 2.21236 -94.64459 742.09418
4940.0000 -98.68428 -94.70066 3.98362 2.15619 -95.31243 675.06180
4945.0000 -98.63058 -94.93667 3.69390 2.19172 -94.88995 705.15408
4950.0000 -97.81616 -94.32063 3.49552 2.19501 -94.85091 673.77324
4955.0000 -98.18172 -94.58529 3.59643 2.22380 -94.50861 708.96421
4960.0000 -97.28364 -93.69907 3.58457 2.21958 -94.55878 700.58271
4965.0000 -98.12769 -93.94447 4.18322 2.27794 -93.86478 746.81449
4970.0000 -98.18244 -94.03842 4.14403 2.28112 -93.82702 754.87530
4975.0000 -99.00639 -94.70257 4.30382 2.24602 -94.24438 765.17215
4980.0000 -97.24557 -93.33327 3.91231 2.28836 -93.74097 764.83925
4985.0000 -98.49592 -93.85964 4.63628 2.24883 -94.21090 730.32131
4990.0000 -99.05548 -95.33511 3.72037 2.19133 -94.89463 684.32983
4995.0000 -98.51732 -95.27103 3.24629 2.17070 -95.13995 695.02222
5000.0000 -98.16623 -94.81791 3.34832 2.19215 -94.88495 682.74733
FREEZING PROCESS: loop number 21 T-loop= 705.00000000000000
main_MD> interactions number 21 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25855 2.50635 -1.20210
force_rgl> df(natom) -0.30819 -4.11276 1.86441
5005.0000 -97.75454 -94.71424 3.04030 2.20117 -94.77768 701.09161
5010.0000 -97.86601 -93.64052 4.22548 2.25300 -94.16140 743.63265
5015.0000 -98.80589 -95.98912 2.81677 2.21103 -94.66040 724.06335
5020.0000 -99.73868 -96.05671 3.68197 2.14819 -95.40761 641.60394
5025.0000 -99.37271 -95.97496 3.39775 2.07483 -96.27981 606.74830
5030.0000 -99.08079 -95.83917 3.24162 2.11109 -95.84866 625.55787
5035.0000 -98.73842 -94.58695 4.15147 2.17128 -95.13305 690.69385
5040.0000 -98.73241 -94.95048 3.78192 2.18440 -94.97703 706.00657
5045.0000 -98.68547 -95.05727 3.62820 2.16707 -95.18313 656.72781
5050.0000 -99.66305 -95.52791 4.13514 2.16811 -95.17077 679.88514
5055.0000 -98.35381 -94.11223 4.24158 2.18579 -94.96057 694.66295
5060.0000 -98.25617 -95.00069 3.25548 2.21970 -94.55735 703.92767
5065.0000 -98.80711 -94.57299 4.23412 2.19478 -94.85367 710.77359
5070.0000 -99.26587 -96.50505 2.76082 2.15407 -95.33766 688.01329
5075.0000 -98.58766 -94.45097 4.13669 2.10282 -95.94701 627.76906
5080.0000 -98.22557 -93.90769 4.31788 2.24038 -94.31147 745.40165
5085.0000 -98.70044 -95.15184 3.54860 2.23312 -94.39780 755.15842
5090.0000 -98.97919 -95.40699 3.57221 2.12464 -95.68757 637.75614
5095.0000 -98.55695 -95.62802 2.92893 2.12870 -95.63931 643.43487
5100.0000 -98.99391 -95.00433 3.98958 2.14208 -95.48021 663.85044
5105.0000 -98.88454 -96.02800 2.85654 2.16545 -95.20233 692.40575
5110.0000 -98.66898 -95.84223 2.82675 2.09011 -96.09822 619.00902
5115.0000 -99.54092 -95.53892 4.00200 2.14073 -95.49627 677.79265
5120.0000 -98.04464 -95.12657 2.91807 2.14825 -95.40691 671.29955
5125.0000 -98.86579 -94.43546 4.43034 2.17819 -95.05092 680.91739
5130.0000 -98.82056 -95.34290 3.47766 2.17675 -95.06805 658.37513
5135.0000 -98.84645 -95.11252 3.73392 2.19390 -94.86404 753.65579
5140.0000 -99.28634 -95.56786 3.71848 2.15392 -95.33949 692.59574
5145.0000 -99.07980 -95.14311 3.93668 2.14466 -95.44951 704.67754
5150.0000 -100.07030 -96.74333 3.32697 2.12848 -95.64198 671.05306
5155.0000 -99.68352 -96.12760 3.55592 2.09317 -96.06175 619.36969
5160.0000 -99.67067 -96.36395 3.30672 2.12086 -95.73253 645.20266
5165.0000 -99.36648 -95.26156 4.10493 2.11149 -95.84401 627.11313
5170.0000 -98.45845 -94.30246 4.15600 2.21430 -94.62147 711.54411
5175.0000 -97.11077 -93.90505 3.20572 2.26251 -94.04828 759.57774
5180.0000 -98.23147 -94.24372 3.98775 2.22239 -94.52533 721.83860
5185.0000 -98.33285 -94.86045 3.47241 2.21889 -94.56701 705.44852
5190.0000 -98.86122 -95.05774 3.80347 2.20100 -94.77972 714.30586
5195.0000 -99.06025 -94.94406 4.11618 2.17977 -95.03206 701.47200
5200.0000 -98.91967 -95.07656 3.84311 2.19888 -94.80488 754.11183
5205.0000 -98.99395 -95.33828 3.65567 2.16703 -95.18352 685.91114
5210.0000 -98.83189 -95.18371 3.64818 2.18742 -94.94116 703.74802
5215.0000 -97.73866 -93.25139 4.48727 2.27720 -93.87368 763.76991
5220.0000 -98.77843 -94.47735 4.30109 2.22744 -94.46527 771.73342
5225.0000 -98.68249 -94.57387 4.10862 2.21537 -94.60886 749.74436
5230.0000 -98.51553 -94.45185 4.06368 2.22130 -94.53824 744.56857
5235.0000 -97.47637 -94.05701 3.41936 2.25988 -94.07960 756.65917
5240.0000 -97.21306 -93.82091 3.39215 2.28051 -93.83426 759.63683
5245.0000 -98.99587 -95.58366 3.41221 2.20373 -94.74717 707.64049
5250.0000 -97.89958 -93.96466 3.93491 2.17252 -95.11834 690.35103
FREEZING PROCESS: loop number 22 T-loop= 680.00000000000000
main_MD> interactions number 22 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.87697 2.25446 1.15376
force_rgl> df(natom) 2.57660 0.36368 1.25596
5255.0000 -98.30429 -94.33747 3.96681 2.22266 -94.52213 706.12677
5260.0000 -98.95111 -95.11574 3.83537 2.13979 -95.50743 654.32271
5265.0000 -98.04946 -94.43013 3.61933 2.21284 -94.63885 714.59159
5270.0000 -99.56702 -96.03746 3.52956 2.16992 -95.14924 708.19184
5275.0000 -99.56671 -96.32278 3.24393 2.06890 -96.35039 621.85722
5280.0000 -99.03789 -95.56740 3.47050 2.08067 -96.21044 650.41294
5285.0000 -98.73309 -94.64578 4.08731 2.18909 -94.92129 662.99000
5290.0000 -97.87993 -94.38178 3.49815 2.25126 -94.18212 753.63407
5295.0000 -97.54077 -94.54190 2.99887 2.27130 -93.94383 708.91562
5300.0000 -97.71636 -93.50999 4.20636 2.25842 -94.09693 720.45257
5305.0000 -98.74673 -95.10491 3.64182 2.24503 -94.25616 722.50277
5310.0000 -97.63605 -94.33581 3.30023 2.24647 -94.23905 715.25129
5315.0000 -98.16486 -94.45166 3.71319 2.23348 -94.39352 721.04183
5320.0000 -97.94479 -93.61624 4.32855 2.27768 -93.86796 731.02914
5325.0000 -98.84674 -94.01083 4.83590 2.26374 -94.03370 707.57614
5330.0000 -98.47072 -94.90699 3.56373 2.20846 -94.69093 716.57358
5335.0000 -98.79106 -95.58964 3.20142 2.19173 -94.88990 714.90864
5340.0000 -98.18174 -94.06456 4.11719 2.19591 -94.84015 713.52828
5345.0000 -98.90069 -95.29198 3.60871 2.15841 -95.28611 686.14942
5350.0000 -97.85752 -94.22740 3.63013 2.20278 -94.75853 707.53787
5355.0000 -98.64823 -95.30757 3.34066 2.18093 -95.01826 665.21566
5360.0000 -99.53928 -95.68986 3.84942 2.12999 -95.62395 642.13272
5365.0000 -99.19299 -96.01781 3.17518 2.07323 -96.29884 597.34828
5370.0000 -98.68229 -95.36637 3.31592 2.17353 -95.10629 700.74426
5375.0000 -98.79856 -95.56929 3.22926 2.12311 -95.70577 638.42689
5380.0000 -98.72019 -95.62294 3.09725 2.12070 -95.73441 653.01921
5385.0000 -98.70860 -94.91139 3.79721 2.15795 -95.29151 630.88387
5390.0000 -99.55523 -96.55130 3.00393 2.10202 -95.95659 619.60946
5395.0000 -98.16705 -94.84387 3.32318 2.12386 -95.69687 658.62714
5400.0000 -99.85844 -96.66810 3.19034 2.10697 -95.89769 638.08419
5405.0000 -99.00610 -94.93487 4.07122 2.15083 -95.37621 642.47648
5410.0000 -98.30208 -94.40228 3.89981 2.21894 -94.56635 735.92034
5415.0000 -98.90786 -94.43148 4.47638 2.21787 -94.57905 734.76496
5420.0000 -98.84523 -95.21122 3.63401 2.19487 -94.85251 690.48968
5425.0000 -98.23921 -94.12044 4.11877 2.19132 -94.89474 730.10979
5430.0000 -98.86492 -95.60113 3.26379 2.18365 -94.98595 658.59827
5435.0000 -98.88343 -95.18250 3.70093 2.19305 -94.87424 662.47504
5440.0000 -97.22986 -92.83203 4.39783 2.22600 -94.48245 742.56487
5445.0000 -97.66484 -93.80147 3.86337 2.33198 -93.22230 835.20807
5450.0000 -98.97972 -95.49608 3.48364 2.18909 -94.92130 701.93661
5455.0000 -98.91458 -95.76216 3.15242 2.14415 -95.45562 683.26005
5460.0000 -97.60597 -94.04101 3.56496 2.19229 -94.88325 705.34310
5465.0000 -98.29128 -94.42488 3.86639 2.26007 -94.07725 760.83402
5470.0000 -99.50035 -95.65882 3.84153 2.16011 -95.26590 676.81279
5475.0000 -99.08324 -96.30696 2.77628 2.11034 -95.85761 617.07732
5480.0000 -98.52858 -94.92770 3.60088 2.08476 -96.16178 598.63007
5485.0000 -98.30060 -94.40868 3.89192 2.18040 -95.02465 697.86559
5490.0000 -98.43325 -94.90991 3.52335 2.22059 -94.54678 770.48099
5495.0000 -98.77386 -95.58681 3.18705 2.15038 -95.38151 675.13162
5500.0000 -98.56359 -95.16835 3.39524 2.09340 -96.05907 624.65848
FREEZING PROCESS: loop number 23 T-loop= 655.00000000000000
main_MD> interactions number 23 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77980 -0.78572 -0.17407
force_rgl> df(natom) -7.16139 -3.09388 -2.90532
5505.0000 -99.91705 -96.67337 3.24368 2.06517 -96.39475 613.11960
5510.0000 -99.40675 -95.98955 3.41720 2.06114 -96.44262 601.89044
5515.0000 -98.27045 -94.19968 4.07077 2.15552 -95.32040 687.01993
5520.0000 -98.04395 -94.52138 3.52257 2.21864 -94.56991 746.02908
5525.0000 -98.31361 -94.24024 4.07337 2.27442 -93.90665 774.74645
5530.0000 -98.35493 -94.43919 3.91575 2.19567 -94.84305 691.37439
5535.0000 -97.32255 -93.37294 3.94961 2.24377 -94.27107 727.14703
5540.0000 -98.42635 -94.44747 3.97888 2.30125 -93.58761 766.66073
5545.0000 -98.89757 -95.48334 3.41423 2.20864 -94.68878 700.80683
5550.0000 -98.94433 -95.31406 3.63028 2.12867 -95.63963 654.88494
5555.0000 -98.71007 -95.28489 3.42518 2.19410 -94.86170 695.45421
5560.0000 -98.46328 -96.28507 2.17821 2.11512 -95.80079 614.39860
5565.0000 -98.91326 -95.55411 3.35915 2.13421 -95.57382 617.65877
5570.0000 -98.36973 -95.59564 2.77408 2.16306 -95.23081 674.80990
5575.0000 -98.11527 -94.82275 3.29252 2.15907 -95.27824 641.89937
5580.0000 -97.69396 -93.75289 3.94107 2.19065 -94.90267 727.96180
5585.0000 -97.56093 -94.35624 3.20469 2.23846 -94.33430 737.30839
5590.0000 -97.81779 -94.49000 3.32778 2.25618 -94.12358 770.65854
5595.0000 -99.24585 -96.17510 3.07075 2.13297 -95.58859 640.12933
5600.0000 -99.71279 -97.19993 2.51286 2.01567 -96.98328 571.36138
5605.0000 -99.60153 -96.21057 3.39097 2.05505 -96.51508 609.94648
5610.0000 -99.08758 -95.91522 3.17236 2.09938 -95.98797 603.57408
5615.0000 -99.22067 -96.00710 3.21357 2.11794 -95.76730 639.05903
5620.0000 -99.34455 -95.84789 3.49665 2.09303 -96.06349 592.18715
5625.0000 -99.70243 -96.50366 3.19878 2.09956 -95.98581 630.51112
5630.0000 -98.70196 -95.18620 3.51576 2.08941 -96.10649 593.91290
5635.0000 -98.64055 -95.84145 2.79910 2.14973 -95.38930 652.29997
5640.0000 -97.70166 -93.68210 4.01956 2.22629 -94.47898 716.06752
5645.0000 -97.57644 -92.99174 4.58471 2.29967 -93.60645 765.32640
5650.0000 -98.39455 -94.91088 3.48367 2.27275 -93.92655 752.23480
5655.0000 -97.97293 -94.55326 3.41967 2.23079 -94.42550 724.93671
5660.0000 -97.69517 -94.16965 3.52552 2.20053 -94.78527 658.60464
5665.0000 -99.49717 -96.14020 3.35697 2.14815 -95.40807 647.47142
5670.0000 -98.73647 -95.39332 3.34315 2.14290 -95.47044 669.21715
5675.0000 -99.74274 -96.35437 3.38837 2.11413 -95.81261 653.62935
5680.0000 -99.76779 -96.25785 3.50994 2.10155 -95.96220 662.43258
5685.0000 -100.16754 -95.12685 5.04069 2.11103 -95.84944 692.72519
5690.0000 -98.57581 -95.71057 2.86524 2.12493 -95.68413 659.05792
5695.0000 -99.45312 -95.34912 4.10400 2.11264 -95.83030 641.37904
5700.0000 -99.32710 -94.66439 4.66271 2.16673 -95.18711 688.10717
5705.0000 -99.71623 -95.75754 3.95869 2.17761 -95.05777 686.60164
5710.0000 -99.37484 -95.84378 3.53106 2.11311 -95.82469 660.20790
5715.0000 -98.60070 -94.90272 3.69799 2.15048 -95.38036 684.62915
5720.0000 -98.91180 -95.15007 3.76174 2.17540 -95.08400 696.96486
5725.0000 -98.50011 -95.63112 2.86899 2.14415 -95.45560 675.05076
5730.0000 -98.52332 -94.75565 3.76768 2.20918 -94.68241 711.33851
5735.0000 -99.39051 -95.67647 3.71404 2.12282 -95.70927 634.47504
5740.0000 -98.51917 -95.63144 2.88773 2.12077 -95.73364 611.99772
5745.0000 -99.16713 -95.78381 3.38332 2.10709 -95.89629 640.06275
5750.0000 -99.40629 -96.06754 3.33875 2.12078 -95.73351 638.85606
FREEZING PROCESS: loop number 24 T-loop= 630.00000000000000
main_MD> interactions number 24 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.09628 -0.02602 2.20989
force_rgl> df(natom) -0.84661 2.03361 3.91804
5755.0000 -99.63865 -96.48869 3.14996 2.04603 -96.62225 589.35942
5760.0000 -98.39347 -94.98452 3.40894 2.11950 -95.74870 661.91657
5765.0000 -98.91658 -94.57970 4.33688 2.19223 -94.88390 709.94488
5770.0000 -99.68537 -96.36177 3.32360 2.10548 -95.91537 638.55880
5775.0000 -99.52050 -95.82417 3.69633 2.09578 -96.03076 633.78686
5780.0000 -98.89794 -95.68557 3.21237 2.12215 -95.71718 638.31902
5785.0000 -99.70870 -97.02320 2.68550 2.08923 -96.10859 609.65304
5790.0000 -99.75934 -96.91486 2.84448 2.02108 -96.91896 574.90660
5795.0000 -99.42486 -96.28357 3.14129 2.03562 -96.74603 572.15741
5800.0000 -99.69814 -96.34735 3.35079 2.03677 -96.73239 580.10560
5805.0000 -99.21219 -96.40139 2.81080 2.08120 -96.20406 611.78884
5810.0000 -98.30889 -95.68841 2.62049 2.08818 -96.12114 610.19924
5815.0000 -99.10123 -96.28401 2.81722 2.08662 -96.13968 627.67008
5820.0000 -100.10000 -95.51297 4.58703 2.07906 -96.22961 617.11744
5825.0000 -99.78539 -96.03397 3.75142 2.09738 -96.01168 633.45503
5830.0000 -98.14180 -94.55614 3.58566 2.16338 -95.22696 682.91382
5835.0000 -99.46536 -96.27854 3.18682 2.15023 -95.38329 640.42182
5840.0000 -98.83113 -95.70940 3.12173 2.10403 -95.93268 650.92481
5845.0000 -99.10775 -95.60863 3.49912 2.12079 -95.73333 643.06073
5850.0000 -98.04128 -94.17282 3.86846 2.18315 -94.99192 678.07508
5855.0000 -100.28788 -96.77286 3.51502 2.12507 -95.68246 664.93676
5860.0000 -99.83523 -96.05446 3.78077 2.11479 -95.80466 666.48015
5865.0000 -99.96707 -95.75835 4.20872 2.08656 -96.14043 633.66937
5870.0000 -99.03868 -96.13537 2.90330 2.09810 -96.00316 637.11669
5875.0000 -99.97955 -96.86653 3.11302 2.07148 -96.31974 617.31697
5880.0000 -100.09225 -97.35603 2.73622 2.04702 -96.61056 571.46063
5885.0000 -99.70433 -96.71044 2.99389 2.01900 -96.94370 569.37050
5890.0000 -99.64179 -96.94081 2.70097 2.04207 -96.66937 589.91028
5895.0000 -100.15820 -95.95139 4.20682 2.09144 -96.08238 620.14906
5900.0000 -99.04845 -96.20878 2.83968 2.02292 -96.89710 566.82372
5905.0000 -99.54677 -96.14456 3.40221 2.11685 -95.78021 638.55947
5910.0000 -99.14784 -95.87697 3.27087 2.11231 -95.83418 648.86174
5915.0000 -99.32488 -95.07133 4.25355 2.15374 -95.34155 657.11108
5920.0000 -98.82709 -96.05961 2.76748 2.13670 -95.54416 649.48842
5925.0000 -99.71573 -96.27669 3.43905 2.07473 -96.28108 601.09276
5930.0000 -99.35224 -96.45841 2.89383 2.09022 -96.09688 616.96509
5935.0000 -98.86875 -95.77706 3.09168 2.11604 -95.78988 624.58617
5940.0000 -99.84579 -96.37936 3.46643 2.08568 -96.15085 612.98768
5945.0000 -99.24730 -96.08134 3.16596 2.06006 -96.45543 648.96838
5950.0000 -99.17199 -95.95873 3.21326 2.09248 -96.06998 640.12136
5955.0000 -99.04439 -96.35162 2.69277 2.10266 -95.94895 607.94625
5960.0000 -99.70089 -96.42972 3.27117 2.08724 -96.13231 596.99574
5965.0000 -100.22427 -96.82183 3.40244 2.02363 -96.88858 568.28805
5970.0000 -99.62912 -96.92359 2.70553 2.03029 -96.80939 584.28287
5975.0000 -100.28567 -97.03607 3.24960 2.02422 -96.88163 569.74510
5980.0000 -99.55621 -95.99557 3.56064 2.06027 -96.45292 606.09165
5985.0000 -99.26212 -95.45047 3.81165 2.16037 -95.26281 682.87538
5990.0000 -99.64241 -95.74065 3.90176 2.09741 -96.01138 624.21924
5995.0000 -99.86319 -96.18523 3.67797 2.13532 -95.56061 644.37970
6000.0000 -98.56350 -95.23562 3.32788 2.05321 -96.53697 579.01989
FREEZING PROCESS: loop number 25 T-loop= 605.00000000000000
main_MD> interactions number 25 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79488 -2.34093 -2.41494
force_rgl> df(natom) -0.40964 -0.90950 1.20438
6005.0000 -99.64604 -96.86584 2.78020 2.08814 -96.12160 610.28827
6010.0000 -99.80588 -96.41958 3.38630 2.01694 -96.96814 552.01223
6015.0000 -99.61908 -96.57693 3.04215 2.06738 -96.36841 594.37220
6020.0000 -98.79739 -95.28581 3.51157 2.12046 -95.73733 621.69109
6025.0000 -99.63412 -96.41908 3.21504 2.11862 -95.75912 639.42329
6030.0000 -100.13768 -97.04178 3.09590 2.01023 -97.04800 528.13235
6035.0000 -99.72580 -96.81285 2.91294 2.01126 -97.03574 548.31630
6040.0000 -99.90198 -97.12178 2.78019 2.01739 -96.96288 569.49886
6045.0000 -99.43522 -96.65681 2.77841 2.04226 -96.66714 577.14021
6050.0000 -100.78894 -97.78596 3.00299 2.00945 -97.05718 561.66049
6055.0000 -99.78852 -96.66123 3.12729 1.97136 -97.51008 553.26570
6060.0000 -100.37353 -96.26756 4.10598 2.04612 -96.62117 597.36945
6065.0000 -99.94345 -95.92702 4.01643 2.06905 -96.34862 615.05314
6070.0000 -99.28356 -96.32910 2.95447 2.07898 -96.23051 601.68174
6075.0000 -98.85408 -95.03914 3.81495 2.18532 -94.96615 718.59334
6080.0000 -98.83128 -95.65487 3.17641 2.15844 -95.28566 695.08971
6085.0000 -100.32500 -97.78581 2.53919 2.03376 -96.76821 568.13791
6090.0000 -100.11775 -96.84769 3.27007 1.97841 -97.42635 543.82675
6095.0000 -99.48801 -96.77787 2.71014 2.02404 -96.88380 561.84576
6100.0000 -100.04359 -96.82578 3.21781 2.04548 -96.62881 592.18709
6105.0000 -99.52547 -96.86615 2.65932 2.04206 -96.66951 596.96568
6110.0000 -99.14017 -96.11020 3.02997 2.03339 -96.77257 544.75950
6115.0000 -99.38377 -96.45620 2.92757 2.03625 -96.73857 583.48532
6120.0000 -99.82021 -97.15940 2.66081 2.02089 -96.92118 591.05916
6125.0000 -99.91634 -96.59603 3.32031 2.03445 -96.75997 581.61343
6130.0000 -99.75624 -97.34900 2.40723 1.99907 -97.18071 535.49113
6135.0000 -99.62876 -96.09014 3.53861 2.00876 -97.06543 552.91293
6140.0000 -99.82927 -95.85398 3.97529 2.10851 -95.87943 623.63087
6145.0000 -99.11797 -95.64980 3.46817 2.09665 -96.02045 646.42107
6150.0000 -99.79296 -95.82894 3.96402 2.14126 -95.48997 670.73456
6155.0000 -99.76226 -96.67429 3.08797 2.08454 -96.16440 616.58638
6160.0000 -100.19515 -97.06915 3.12600 2.00799 -97.07458 535.58003
6165.0000 -99.32383 -96.39059 2.93324 2.07846 -96.23664 593.41964
6170.0000 -99.83048 -96.84428 2.98621 2.07152 -96.31919 612.46388
6175.0000 -99.56732 -96.69430 2.87302 2.04917 -96.58498 604.79635
6180.0000 -99.74267 -96.89482 2.84785 2.05581 -96.50605 554.52260
6185.0000 -99.61048 -96.13273 3.47775 2.06215 -96.43060 594.01179
6190.0000 -100.03923 -96.90618 3.13305 2.04040 -96.68919 604.35779
6195.0000 -99.06834 -95.93308 3.13525 2.07061 -96.32998 634.69618
6200.0000 -99.80366 -96.15102 3.65264 2.05845 -96.47462 599.65818
6205.0000 -100.10051 -96.18414 3.91637 2.08745 -96.12978 608.98399
6210.0000 -99.33503 -95.78411 3.55092 2.07645 -96.26055 596.62940
6215.0000 -100.22293 -97.37258 2.85035 2.07488 -96.27922 619.60122
6220.0000 -99.57195 -95.97859 3.59336 2.05184 -96.55316 602.45314
6225.0000 -98.43651 -94.94998 3.48653 2.13282 -95.59030 647.96883
6230.0000 -99.50944 -95.78877 3.72068 2.13109 -95.61087 668.15688
6235.0000 -99.44615 -96.59254 2.85361 2.12096 -95.73132 628.42630
6240.0000 -99.12820 -96.58121 2.54700 2.04356 -96.65165 582.88920
6245.0000 -98.75309 -95.27792 3.47517 2.08793 -96.12405 607.97190
6250.0000 -99.53506 -96.35761 3.17745 2.11712 -95.77703 667.35620
FREEZING PROCESS: loop number 26 T-loop= 580.00000000000000
main_MD> interactions number 26 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.69770 -0.31976 0.94612
force_rgl> df(natom) 2.40361 -2.03928 1.65967
6255.0000 -100.58599 -97.16442 3.42157 2.07282 -96.30375 648.15087
6260.0000 -99.92693 -96.77274 3.15419 2.02232 -96.90425 591.98977
6265.0000 -99.59259 -96.88334 2.70924 2.04513 -96.63299 570.89146
6270.0000 -98.93832 -96.09143 2.84688 2.07551 -96.27176 593.51498
6275.0000 -100.04234 -97.16421 2.87813 2.05161 -96.55598 577.45849
6280.0000 -99.69759 -97.53835 2.15923 1.98907 -97.29958 528.36256
6285.0000 -100.13056 -97.36039 2.77016 1.97031 -97.52264 534.91684
6290.0000 -99.90779 -97.09316 2.81463 2.03619 -96.73928 589.76541
6295.0000 -99.86695 -96.62981 3.23714 2.01262 -97.01949 550.50091
6300.0000 -99.27232 -96.62070 2.65162 2.04364 -96.65070 597.07879
6305.0000 -100.09865 -97.17296 2.92569 1.99638 -97.21264 546.32233
6310.0000 -99.56203 -97.06861 2.49341 1.97996 -97.40787 518.71520
6315.0000 -100.11259 -97.05199 3.06059 2.00853 -97.06812 535.56667
6320.0000 -99.49908 -96.50141 2.99767 2.05684 -96.49380 565.54037
6325.0000 -100.20293 -96.84921 3.35372 2.04576 -96.62550 579.55461
6330.0000 -99.50966 -96.57845 2.93121 2.04953 -96.58062 566.71775
6335.0000 -99.14506 -96.25166 2.89340 2.06042 -96.45123 575.31370
6340.0000 -98.60082 -96.07409 2.52673 2.09919 -95.99015 619.55109
6345.0000 -99.88686 -96.80703 3.07984 2.07629 -96.26253 606.73369
6350.0000 -99.90040 -96.77520 3.12520 1.99999 -97.16974 558.91113
6355.0000 -99.28330 -95.83606 3.44724 2.09274 -96.06685 593.73819
6360.0000 -98.68192 -95.55341 3.12851 2.11288 -95.82740 584.56912
6365.0000 -98.83178 -95.95901 2.87276 2.12949 -95.62997 602.82940
6370.0000 -99.41124 -96.71349 2.69775 2.07421 -96.28719 562.44800
6375.0000 -99.81780 -96.91112 2.90667 2.03661 -96.73433 559.11496
6380.0000 -99.64103 -96.63112 3.00992 2.01292 -97.01592 545.19207
6385.0000 -100.13274 -96.85450 3.27824 2.07713 -96.25248 616.73480
6390.0000 -99.71873 -96.91558 2.80316 2.05626 -96.50068 613.44808
6395.0000 -100.69353 -97.58549 3.10804 1.99797 -97.19368 565.37058
6400.0000 -99.81577 -97.42980 2.38596 1.96275 -97.61249 490.06373
6405.0000 -99.64314 -96.55914 3.08400 2.04094 -96.68278 566.37571
6410.0000 -98.98735 -95.51313 3.47422 2.09872 -95.99575 646.76753
6415.0000 -99.13644 -95.71632 3.42011 2.09950 -95.98649 648.56814
6420.0000 -100.04873 -96.38431 3.66442 2.11474 -95.80534 639.39907
6425.0000 -99.62049 -96.48593 3.13457 2.05464 -96.51992 573.31969
6430.0000 -99.81723 -96.90562 2.91162 2.05369 -96.53117 582.16916
6435.0000 -99.61990 -96.06591 3.55399 2.03901 -96.70577 558.55654
6440.0000 -99.73417 -96.65256 3.08161 2.05336 -96.53515 596.14650
6445.0000 -100.03549 -96.78547 3.25002 2.00836 -97.07017 553.09806
6450.0000 -99.57385 -96.27355 3.30030 2.03856 -96.71105 569.86098
6455.0000 -99.28550 -96.38108 2.90442 2.06532 -96.39298 592.39541
6460.0000 -99.67663 -96.29451 3.38213 2.06625 -96.38186 588.88810
6465.0000 -99.11867 -96.18329 2.93538 2.06228 -96.42910 573.45418
6470.0000 -99.63230 -96.34456 3.28774 2.10307 -95.94411 637.41042
6475.0000 -99.71911 -97.16604 2.55307 2.01477 -96.99393 541.80330
6480.0000 -99.24998 -95.89221 3.35777 2.06166 -96.43640 588.72518
6485.0000 -99.35461 -96.52749 2.82713 2.06440 -96.40381 591.33483
6490.0000 -99.60176 -96.72916 2.87260 2.06736 -96.36863 587.03804
6495.0000 -99.35077 -96.43086 2.91990 2.04333 -96.65444 566.43844
6500.0000 -99.71252 -97.38719 2.32533 2.02940 -96.82007 581.29141
FREEZING PROCESS: loop number 27 T-loop= 555.00000000000000
main_MD> interactions number 27 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53348 -1.99126 -1.82714
force_rgl> df(natom) -1.80431 -3.17679 1.60898
6505.0000 -100.39517 -97.54746 2.84771 1.96978 -97.52889 511.02214
6510.0000 -100.36520 -96.93095 3.43425 1.99922 -97.17885 541.70271
6515.0000 -100.10947 -97.16968 2.93980 2.02917 -96.82279 585.43617
6520.0000 -100.97590 -97.69097 3.28493 1.98797 -97.31266 588.47463
6525.0000 -100.35006 -97.67858 2.67147 1.94115 -97.86933 516.80087
6530.0000 -100.48395 -97.39818 3.08577 2.00757 -97.07964 554.89516
6535.0000 -99.50697 -96.80308 2.70389 2.01475 -96.99427 574.56775
6540.0000 -99.66131 -96.77818 2.88313 2.01678 -96.97004 556.69726
6545.0000 -100.20929 -97.94673 2.26256 2.00750 -97.08040 548.62241
6550.0000 -100.18964 -97.53990 2.64974 1.96412 -97.59626 479.28190
6555.0000 -100.32266 -97.67303 2.64963 2.00800 -97.07446 561.68825
6560.0000 -99.81006 -96.83950 2.97056 1.99327 -97.24961 547.87735
6565.0000 -100.60669 -97.92679 2.67990 1.97089 -97.51577 511.60034
6570.0000 -101.09109 -98.41556 2.67553 1.91795 -98.14521 479.62645
6575.0000 -100.90996 -97.90423 3.00573 1.91531 -98.17655 499.63694
6580.0000 -100.14872 -97.25134 2.89737 1.98033 -97.40344 528.83163
6585.0000 -100.51258 -97.72445 2.78813 1.98481 -97.35019 550.30802
6590.0000 -99.68368 -96.58199 3.10169 2.01936 -96.93943 570.71845
6595.0000 -99.54274 -96.10289 3.43985 2.01858 -96.94867 531.83669
6600.0000 -100.38037 -96.99740 3.38297 2.05147 -96.55759 588.65002
6605.0000 -99.63060 -96.15415 3.47645 2.03922 -96.70325 581.97809
6610.0000 -99.79677 -97.04592 2.75085 2.03768 -96.72158 603.09495
6615.0000 -99.12466 -95.99140 3.13326 2.05320 -96.53705 596.53437
6620.0000 -99.10320 -95.98541 3.11779 2.09228 -96.07240 626.60932
6625.0000 -98.96922 -95.77445 3.19477 2.11535 -95.79808 621.63015
6630.0000 -99.24790 -96.27558 2.97231 2.10087 -95.97023 638.65405
6635.0000 -100.22665 -96.76566 3.46099 2.06049 -96.45038 569.09418
6640.0000 -99.51329 -96.38629 3.12700 2.04967 -96.57905 613.30292
6645.0000 -98.82473 -96.07422 2.75051 2.05236 -96.54707 609.18955
6650.0000 -99.55914 -96.74789 2.81126 2.06857 -96.35432 609.31341
6655.0000 -99.10486 -96.44345 2.66141 2.05830 -96.47634 593.07051
6660.0000 -100.65012 -97.21712 3.43300 2.04925 -96.58401 584.74294
6665.0000 -100.24536 -96.60971 3.63565 1.98825 -97.30927 550.13975
6670.0000 -99.88925 -96.38896 3.50028 2.03432 -96.76148 592.11002
6675.0000 -99.48188 -96.56485 2.91703 2.03952 -96.69968 566.87640
6680.0000 -100.28165 -96.80072 3.48093 2.04231 -96.66650 579.36645
6685.0000 -99.16979 -96.34635 2.82344 2.02383 -96.88623 567.05825
6690.0000 -100.65361 -97.45517 3.19844 2.00784 -97.07639 554.54293
6695.0000 -99.62335 -96.62849 2.99486 2.05488 -96.51708 561.10871
6700.0000 -100.12308 -97.13434 2.98875 2.04061 -96.68674 589.83070
6705.0000 -99.25966 -96.83412 2.42554 2.06563 -96.38923 611.64591
6710.0000 -100.15981 -96.47530 3.68450 2.04934 -96.58296 571.00211
6715.0000 -100.36335 -97.13406 3.22929 2.05107 -96.56239 564.59117
6720.0000 -99.93347 -97.48498 2.44850 1.99552 -97.22289 524.63546
6725.0000 -99.56590 -96.93054 2.63536 1.97477 -97.46964 509.52524
6730.0000 -99.12914 -96.69465 2.43449 2.02292 -96.89712 555.94197
6735.0000 -100.08576 -96.68028 3.40548 2.02093 -96.92076 539.87955
6740.0000 -99.27316 -96.60416 2.66901 2.05351 -96.53333 575.46018
6745.0000 -100.04679 -96.93907 3.10772 2.01947 -96.93814 543.41578
6750.0000 -100.26928 -96.83154 3.43774 2.01428 -96.99980 554.53365
FREEZING PROCESS: loop number 28 T-loop= 530.00000000000000
main_MD> interactions number 28 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61303 1.52898 1.75626
force_rgl> df(natom) 0.28990 1.45019 3.10583
6755.0000 -100.47388 -97.37346 3.10043 1.98566 -97.34012 523.15880
6760.0000 -99.88587 -96.46260 3.42328 2.01869 -96.94738 552.89952
6765.0000 -100.60234 -97.42546 3.17688 2.03416 -96.76342 587.76653
6770.0000 -100.72950 -98.15474 2.57475 1.95192 -97.74122 517.41703
6775.0000 -100.50017 -97.55783 2.94234 1.94711 -97.79843 520.88430
6780.0000 -100.34201 -97.42323 2.91878 1.97480 -97.46921 553.26814
6785.0000 -100.25790 -96.56624 3.69166 2.01135 -97.03460 557.03738
6790.0000 -99.37516 -96.39198 2.98318 2.05340 -96.53460 589.66635
6795.0000 -99.90643 -96.66078 3.24565 2.06563 -96.38929 617.79488
6800.0000 -100.17995 -96.75693 3.42302 2.03300 -96.77716 583.78427
6805.0000 -100.18118 -97.40518 2.77600 1.99303 -97.25244 550.29663
6810.0000 -100.33364 -97.02953 3.30411 1.97941 -97.41447 550.23368
6815.0000 -100.65656 -97.48212 3.17444 2.01570 -96.98290 579.25662
6820.0000 -99.57404 -96.70754 2.86650 2.01829 -96.95217 585.97294
6825.0000 -100.76411 -97.79124 2.97287 1.97829 -97.42777 531.68525
6830.0000 -100.48879 -97.91325 2.57554 1.95808 -97.66804 509.14852
6835.0000 -100.74339 -98.09044 2.65294 1.92675 -98.04051 489.77865
6840.0000 -100.33537 -98.01500 2.32037 1.90679 -98.27786 465.24775
6845.0000 -100.71102 -97.82215 2.88887 1.95654 -97.68640 520.72968
6850.0000 -100.41857 -98.13451 2.28406 1.97722 -97.44043 511.99593
6855.0000 -100.40656 -98.22909 2.17746 1.89682 -98.39637 460.81923
6860.0000 -100.69260 -98.52970 2.16290 1.88880 -98.49176 455.90984
6865.0000 -100.57083 -98.27857 2.29226 1.90176 -98.33769 471.55770
6870.0000 -100.26935 -98.04682 2.22253 1.90861 -98.25619 465.44699
6875.0000 -100.66807 -98.15136 2.51671 1.91396 -98.19259 483.17100
6880.0000 -100.53842 -98.08369 2.45474 1.92587 -98.05103 499.72157
6885.0000 -100.13126 -97.09960 3.03166 1.96594 -97.57456 507.52884
6890.0000 -100.17280 -96.92683 3.24597 2.02193 -96.90880 564.63305
6895.0000 -100.34776 -97.65803 2.68973 1.97735 -97.43887 522.20553
6900.0000 -99.56604 -96.89826 2.66778 1.99516 -97.22715 531.50242
6905.0000 -100.01114 -96.65337 3.35777 2.01097 -97.03913 561.34611
6910.0000 -100.04880 -97.60742 2.44138 1.98890 -97.30156 544.15287
6915.0000 -98.91803 -96.29007 2.62796 2.00497 -97.11048 533.77220
6920.0000 -99.03327 -95.94075 3.09252 2.08551 -96.15292 583.20195
6925.0000 -99.76297 -97.15101 2.61197 2.08516 -96.15700 591.64491
6930.0000 -99.29595 -96.13380 3.16215 2.01757 -96.96067 526.60707
6935.0000 -99.38519 -96.72865 2.65654 2.06489 -96.39806 546.63347
6940.0000 -99.82073 -96.67440 3.14632 2.02970 -96.81640 550.05383
6945.0000 -100.00369 -97.15338 2.85030 2.02189 -96.90928 576.11201
6950.0000 -99.67914 -96.93433 2.74480 1.98055 -97.40083 532.16643
6955.0000 -100.50681 -97.12880 3.37801 2.00646 -97.09282 574.36967
6960.0000 -100.15780 -97.84268 2.31512 1.96844 -97.54491 518.78155
6965.0000 -99.91492 -96.89194 3.02297 1.96600 -97.57391 492.79976
6970.0000 -99.52915 -96.66630 2.86285 2.01722 -96.96489 551.75940
6975.0000 -100.15233 -97.31473 2.83759 2.01796 -96.95610 550.93179
6980.0000 -100.22631 -97.31668 2.90963 1.97225 -97.49955 524.50267
6985.0000 -100.37945 -97.48384 2.89561 1.96839 -97.54545 541.09912
6990.0000 -100.10482 -97.09168 3.01314 1.98481 -97.35022 545.41823
6995.0000 -99.44856 -96.34646 3.10210 1.96879 -97.54065 509.55533
7000.0000 -99.84967 -97.43925 2.41042 2.02435 -96.88013 551.18315
FREEZING PROCESS: loop number 29 T-loop= 505.00000000000000
main_MD> interactions number 29 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38645 0.38305 0.38296
force_rgl> df(natom) -1.60521 0.69169 2.71246
7005.0000 -100.55730 -97.42350 3.13380 1.98634 -97.33205 535.76526
7010.0000 -99.43901 -97.02477 2.41424 2.00928 -97.05921 557.92893
7015.0000 -100.57696 -97.53632 3.04064 1.95999 -97.64528 507.27681
7020.0000 -99.85462 -97.86459 1.99003 1.96111 -97.63201 521.20364
7025.0000 -100.56100 -98.27421 2.28678 1.91316 -98.20215 461.20953
7030.0000 -100.78008 -98.33451 2.44557 1.88459 -98.54189 435.95062
7035.0000 -100.71020 -98.12270 2.58750 1.92397 -98.07357 483.54607
7040.0000 -101.01522 -98.10255 2.91267 1.93435 -97.95014 483.62098
7045.0000 -100.95522 -98.34360 2.61162 1.94895 -97.77655 522.00126
7050.0000 -99.91082 -97.14257 2.76825 1.93826 -97.90371 520.33755
7055.0000 -100.39283 -97.83436 2.55846 1.99647 -97.21154 543.83933
7060.0000 -101.01662 -98.38979 2.62683 1.92172 -98.10041 467.52587
7065.0000 -100.86844 -97.97875 2.88969 1.90607 -98.28643 446.12218
7070.0000 -100.87301 -97.67111 3.20189 1.94670 -97.80338 486.23066
7075.0000 -99.79233 -97.38497 2.40736 1.94987 -97.76561 499.15429
7080.0000 -99.93199 -97.27439 2.65761 1.97543 -97.46176 519.18402
7085.0000 -101.01577 -98.00430 3.01146 1.94561 -97.81626 497.68168
7090.0000 -101.11261 -98.47996 2.63265 1.94478 -97.82612 513.01148
7095.0000 -99.34258 -96.90001 2.44257 1.94584 -97.81353 487.45913
7100.0000 -100.21846 -97.21490 3.00356 2.00353 -97.12766 524.71698
7105.0000 -100.05270 -97.16609 2.88661 2.02815 -96.83491 565.95432
7110.0000 -100.74069 -98.08857 2.65212 1.93554 -97.93599 497.18332
7115.0000 -100.68903 -97.74425 2.94479 1.96808 -97.54910 530.41097
7120.0000 -100.42594 -97.76752 2.65841 1.93345 -97.96085 506.97133
7125.0000 -100.53784 -97.73425 2.80358 1.96780 -97.55244 548.14709
7130.0000 -100.34207 -97.58703 2.75504 1.95457 -97.70976 523.53326
7135.0000 -100.76564 -98.14694 2.61870 1.93983 -97.88505 523.48022
7140.0000 -100.80455 -98.30420 2.50035 1.92246 -98.09155 524.33264
7145.0000 -100.62003 -97.61172 3.00831 1.90338 -98.31839 476.28723
7150.0000 -100.72578 -97.53395 3.19183 1.96473 -97.58900 547.73579
7155.0000 -100.39905 -97.04451 3.35454 1.99725 -97.20230 554.59877
7160.0000 -100.61646 -97.73280 2.88366 1.96821 -97.54761 527.44920
7165.0000 -100.57876 -98.06902 2.50974 1.91992 -98.12171 476.52328
7170.0000 -100.85547 -98.17973 2.67574 1.89506 -98.41735 450.16047
7175.0000 -100.45211 -97.43163 3.02048 1.92304 -98.08464 485.72809
7180.0000 -100.35038 -97.43971 2.91067 1.99964 -97.17391 565.06737
7185.0000 -100.55127 -97.96058 2.59069 1.98158 -97.38858 552.91902
7190.0000 -100.51547 -97.83651 2.67896 1.91933 -98.12875 504.10401
7195.0000 -100.39499 -97.57863 2.81636 1.95264 -97.73269 529.65778
7200.0000 -100.44795 -97.83743 2.61052 1.94985 -97.76592 521.86881
7205.0000 -100.54839 -97.97962 2.56877 1.94381 -97.83770 527.74435
7210.0000 -100.67121 -97.75659 2.91462 1.93255 -97.97154 510.03563
7215.0000 -101.12053 -98.72921 2.39131 1.91153 -98.22148 481.18397
7220.0000 -100.13505 -98.05567 2.07938 1.89632 -98.40242 459.23860
7225.0000 -100.25312 -97.56501 2.68811 1.95189 -97.74168 508.54033
7230.0000 -100.39432 -97.47386 2.92045 1.97057 -97.51956 538.32529
7235.0000 -101.08845 -98.20676 2.88169 1.96030 -97.64160 538.69202
7240.0000 -100.88185 -98.62410 2.25775 1.86201 -98.81030 447.24870
7245.0000 -100.87832 -97.87596 3.00236 1.88966 -98.48151 476.20446
7250.0000 -100.59396 -97.62930 2.96466 1.95917 -97.65509 540.09015
FREEZING PROCESS: loop number 30 T-loop= 480.00000000000000
main_MD> interactions number 30 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53727 0.36110 -0.16165
force_rgl> df(natom) -0.34329 4.15885 -1.19512
7255.0000 -100.57878 -98.05455 2.52424 1.93587 -97.93213 509.67843
7260.0000 -100.74040 -98.19147 2.54894 1.92064 -98.11325 501.42613
7265.0000 -100.95577 -98.38117 2.57460 1.91817 -98.14260 484.67679
7270.0000 -100.48295 -98.21769 2.26526 1.89431 -98.42630 452.78894
7275.0000 -100.65088 -97.68139 2.96949 1.92882 -98.01591 500.92191
7280.0000 -100.60268 -97.78680 2.81588 1.94906 -97.77522 518.31756
7285.0000 -100.05918 -97.71486 2.34433 1.95031 -97.76046 518.49791
7290.0000 -100.48662 -97.97511 2.51151 1.94703 -97.79943 521.54859
7295.0000 -100.29057 -97.93249 2.35809 1.92930 -98.01024 471.59953
7300.0000 -100.12406 -97.12348 3.00058 1.96329 -97.60605 512.81442
7305.0000 -100.62662 -97.46974 3.15689 1.97614 -97.45332 517.10232
7310.0000 -100.02618 -97.59624 2.42995 1.97200 -97.50257 501.23367
7315.0000 -100.16511 -98.11758 2.04753 1.94410 -97.83424 509.69576
7320.0000 -100.40247 -97.76638 2.63608 1.92361 -98.07790 498.22916
7325.0000 -100.86678 -98.53836 2.32842 1.89445 -98.42466 460.65491
7330.0000 -101.36760 -98.74606 2.62154 1.86586 -98.76461 456.02151
7335.0000 -101.49653 -99.10950 2.38703 1.84436 -99.02020 437.34225
7340.0000 -101.11969 -98.77153 2.34816 1.87378 -98.67036 457.70283
7345.0000 -100.58931 -98.42772 2.16158 1.87131 -98.69971 455.16403
7350.0000 -100.76463 -98.35434 2.41030 1.86603 -98.76257 451.77282
7355.0000 -100.68773 -98.42582 2.26190 1.88426 -98.54582 446.71518
7360.0000 -100.62910 -97.90233 2.72677 1.91298 -98.20426 481.38777
7365.0000 -100.47278 -97.89090 2.58188 1.94792 -97.78884 517.86223
7370.0000 -100.89497 -98.56811 2.32685 1.93648 -97.92488 494.98649
7375.0000 -100.42125 -97.50943 2.91182 1.92976 -98.00473 476.65557
7380.0000 -100.54628 -97.32945 3.21683 1.94748 -97.79409 506.28998
7385.0000 -101.06705 -98.98248 2.08456 1.89813 -98.38080 472.64898
7390.0000 -100.86961 -98.49178 2.37783 1.86428 -98.78332 438.29491
7395.0000 -100.94692 -98.48615 2.46078 1.90443 -98.30593 480.17172
7400.0000 -100.89054 -97.75114 3.13940 1.92899 -98.01391 486.58018
7405.0000 -100.47777 -97.77011 2.70767 1.93914 -97.89329 500.21020
7410.0000 -100.83785 -98.47293 2.36492 1.93054 -97.99554 471.06029
7415.0000 -100.52283 -97.95904 2.56378 1.92890 -98.01498 473.89182
7420.0000 -100.74551 -98.05616 2.68935 1.94975 -97.76703 494.50733
7425.0000 -100.22753 -97.93844 2.28909 1.92385 -98.07508 475.08878
7430.0000 -101.07876 -98.37324 2.70551 1.89849 -98.37658 464.52889
7435.0000 -101.35840 -98.63180 2.72660 1.91048 -98.23404 470.43193
7440.0000 -100.97586 -98.58101 2.39484 1.90262 -98.32747 477.81384
7445.0000 -100.86340 -98.62787 2.23553 1.89354 -98.43537 459.77241
7450.0000 -100.82552 -98.32594 2.49958 1.88355 -98.55424 431.77832
7455.0000 -100.73212 -98.39743 2.33469 1.88603 -98.52466 463.47144
7460.0000 -100.23719 -98.23753 1.99967 1.90927 -98.24840 467.73423
7465.0000 -100.81047 -98.52025 2.29022 1.90135 -98.34261 491.27587
7470.0000 -101.43507 -98.52460 2.91047 1.90553 -98.29290 496.26299
7475.0000 -100.53658 -97.78531 2.75128 1.89645 -98.40087 465.42966
7480.0000 -100.73816 -98.50288 2.23528 1.91198 -98.21621 505.42632
7485.0000 -101.28016 -99.02437 2.25579 1.85370 -98.90908 441.41221
7490.0000 -101.41615 -99.04669 2.36946 1.85452 -98.89935 453.96931
7495.0000 -101.17490 -97.99677 3.17813 1.89706 -98.39360 498.65182
7500.0000 -100.36882 -98.46614 1.90268 1.91246 -98.21046 477.22276
FREEZING PROCESS: loop number 31 T-loop= 455.00000000000000
main_MD> interactions number 31 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38285 0.38255 -1.29562
force_rgl> df(natom) -0.04830 -0.03636 -1.85730
7505.0000 -100.70601 -98.52974 2.17627 1.88651 -98.51902 441.43061
7510.0000 -100.25398 -98.08440 2.16958 1.92180 -98.09936 470.84141
7515.0000 -100.76240 -98.79288 1.96952 1.86826 -98.73604 432.22474
7520.0000 -101.40545 -98.78532 2.62013 1.86826 -98.73600 418.72554
7525.0000 -100.60632 -98.41864 2.18767 1.89949 -98.36468 479.63080
7530.0000 -101.31362 -98.91515 2.39846 1.86889 -98.72852 434.11264
7535.0000 -102.03925 -99.87476 2.16449 1.81661 -99.35020 406.57331
7540.0000 -101.62585 -99.64437 1.98148 1.78650 -99.70815 378.69620
7545.0000 -101.29680 -98.83133 2.46547 1.81871 -99.32520 402.98416
7550.0000 -101.48711 -99.33554 2.15157 1.83543 -99.12642 422.47507
7555.0000 -101.45623 -99.46952 1.98672 1.82370 -99.26583 416.98740
7560.0000 -101.41055 -99.04953 2.36102 1.80541 -99.48335 392.98282
7565.0000 -101.43305 -98.53998 2.89307 1.84079 -99.06268 423.96148
7570.0000 -100.99887 -98.25902 2.73985 1.90675 -98.27841 490.86189
7575.0000 -101.16870 -99.17492 1.99378 1.87106 -98.70267 462.76029
7580.0000 -100.94853 -98.33265 2.61588 1.88682 -98.51529 458.26140
7585.0000 -100.91380 -98.29549 2.61831 1.93151 -97.98400 514.07358
7590.0000 -101.08464 -98.59291 2.49173 1.88216 -98.57077 459.76789
7595.0000 -101.47663 -99.08751 2.38912 1.84369 -99.02810 417.30899
7600.0000 -100.83701 -98.74278 2.09424 1.85396 -98.90607 422.51754
7605.0000 -101.19920 -98.93000 2.26920 1.85427 -98.90237 407.36163
7610.0000 -101.09551 -98.95963 2.13588 1.85640 -98.87701 424.69780
7615.0000 -100.72062 -99.12922 1.59140 1.85378 -98.90823 415.02306
7620.0000 -101.10361 -98.17712 2.92649 1.86404 -98.78619 446.99338
7625.0000 -101.06556 -98.65893 2.40664 1.88254 -98.56617 467.86582
7630.0000 -101.11130 -98.45981 2.65150 1.86431 -98.78297 448.56351
7635.0000 -100.64514 -98.30022 2.34492 1.88629 -98.52168 455.25259
7640.0000 -101.07045 -98.65119 2.41927 1.89012 -98.47604 468.58130
7645.0000 -101.32792 -99.16367 2.16425 1.85396 -98.90605 436.58972
7650.0000 -101.23068 -98.57007 2.66061 1.87591 -98.64503 465.33055
7655.0000 -101.01528 -98.16384 2.85145 1.88982 -98.47971 471.06515
7660.0000 -100.57466 -98.32336 2.25131 1.93219 -97.97582 492.93743
7665.0000 -101.11873 -98.52775 2.59098 1.91309 -98.20300 474.00979
7670.0000 -101.15664 -98.60581 2.55083 1.87423 -98.66503 430.91314
7675.0000 -100.92139 -98.77500 2.14639 1.89435 -98.42583 461.36684
7680.0000 -100.80532 -98.55158 2.25374 1.88982 -98.47970 461.08626
7685.0000 -100.86158 -98.44747 2.41411 1.89184 -98.45570 460.03007
7690.0000 -99.93355 -97.25712 2.67644 1.95165 -97.74450 505.27654
7695.0000 -100.81710 -98.07504 2.74206 1.96624 -97.57105 535.77306
7700.0000 -100.99734 -98.64880 2.34854 1.88559 -98.53000 460.10696
7705.0000 -101.16539 -98.85955 2.30584 1.86123 -98.81962 441.86757
7710.0000 -100.70101 -97.80062 2.90040 1.88823 -98.49854 454.19172
7715.0000 -101.24017 -98.09143 3.14874 1.92914 -98.01214 508.37365
7720.0000 -101.22403 -98.97036 2.25366 1.89744 -98.38907 466.98716
7725.0000 -100.67326 -98.66109 2.01217 1.87763 -98.62460 446.55479
7730.0000 -100.22587 -97.45180 2.77407 1.90718 -98.27320 489.13839
7735.0000 -100.75105 -98.15779 2.59327 1.93414 -97.95266 466.38819
7740.0000 -100.92745 -98.58313 2.34432 1.90960 -98.24449 438.89199
7745.0000 -100.59806 -98.30685 2.29121 1.88472 -98.54028 431.86926
7750.0000 -100.92619 -98.16334 2.76285 1.92079 -98.11138 475.93066
FREEZING PROCESS: loop number 32 T-loop= 430.00000000000000
main_MD> interactions number 32 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.23242 1.98647 -2.67829
force_rgl> df(natom) 1.68589 2.16897 -1.35768
7755.0000 -101.25478 -99.12769 2.12709 1.88388 -98.55031 451.72715
7760.0000 -100.55474 -98.43969 2.11505 1.87183 -98.69354 429.82761
7765.0000 -101.58711 -98.99055 2.59656 1.88261 -98.56540 471.14504
7770.0000 -101.50809 -99.59130 1.91679 1.81966 -99.31387 407.33210
7775.0000 -101.15749 -98.64374 2.51375 1.83757 -99.10092 422.97012
7780.0000 -101.21647 -99.08160 2.13487 1.84900 -98.96500 445.83681
7785.0000 -101.40811 -98.90772 2.50039 1.84983 -98.95520 437.48351
7790.0000 -101.07801 -98.90184 2.17616 1.86481 -98.77699 447.14842
7795.0000 -101.41055 -99.48208 1.92847 1.81302 -99.39288 402.31408
7800.0000 -101.32550 -98.72535 2.60015 1.85514 -98.89201 435.90056
7805.0000 -100.75815 -98.97726 1.78089 1.85512 -98.89229 438.44983
7810.0000 -101.42057 -99.32099 2.09958 1.82781 -99.21700 406.53598
7815.0000 -101.28892 -98.56536 2.72355 1.85205 -98.92875 443.56737
7820.0000 -101.46069 -98.65988 2.80081 1.87316 -98.67774 474.67868
7825.0000 -101.06118 -98.79233 2.26885 1.84647 -98.99504 440.65119
7830.0000 -100.98503 -98.83655 2.14848 1.88452 -98.54271 477.39087
7835.0000 -101.31152 -98.85705 2.45447 1.88355 -98.55419 476.13425
7840.0000 -101.96610 -99.78811 2.17799 1.80708 -99.46350 393.06293
7845.0000 -101.60934 -99.45064 2.15871 1.79275 -99.63378 376.22404
7850.0000 -101.57360 -99.94411 1.62949 1.76175 -100.00241 345.03637
7855.0000 -101.46919 -99.30560 2.16360 1.80376 -99.50288 387.37118
7860.0000 -101.43164 -99.12035 2.31129 1.83201 -99.16703 428.35105
7865.0000 -101.22312 -98.63316 2.58996 1.85933 -98.84217 446.88798
7870.0000 -101.75485 -99.70118 2.05367 1.83377 -99.14615 431.74181
7875.0000 -101.42378 -99.13854 2.28524 1.81967 -99.31378 413.15869
7880.0000 -101.13819 -99.16648 1.97170 1.81200 -99.40492 402.98131
7885.0000 -101.21850 -99.14476 2.07374 1.83470 -99.13500 434.31236
7890.0000 -101.14700 -98.88411 2.26289 1.82927 -99.19957 427.78313
7895.0000 -101.51931 -99.77900 1.74031 1.79324 -99.62803 387.14382
7900.0000 -101.72392 -99.77497 1.94895 1.78035 -99.78123 350.71985
7905.0000 -101.42232 -99.20639 2.21593 1.79498 -99.60734 385.93788
7910.0000 -101.72861 -99.43225 2.29636 1.81105 -99.41625 409.32955
7915.0000 -101.44816 -99.57752 1.87065 1.78797 -99.69069 379.64224
7920.0000 -101.73156 -99.85710 1.87446 1.78576 -99.71697 383.59456
7925.0000 -101.53031 -99.39675 2.13356 1.82520 -99.24797 413.44697
7930.0000 -101.56711 -99.48429 2.08282 1.80853 -99.44619 397.60016
7935.0000 -100.49512 -98.79556 1.69956 1.83315 -99.15348 416.79652
7940.0000 -101.23888 -98.92675 2.31213 1.84659 -98.99362 434.17387
7945.0000 -100.97248 -98.59899 2.37350 1.86517 -98.77279 452.88099
7950.0000 -101.37860 -98.71687 2.66174 1.89125 -98.46260 489.42219
7955.0000 -101.06314 -98.50304 2.56010 1.86746 -98.74550 462.23224
7960.0000 -100.72554 -98.63199 2.09355 1.87222 -98.68892 450.39625
7965.0000 -101.55119 -99.39870 2.15250 1.87054 -98.70889 445.14005
7970.0000 -100.94299 -98.54588 2.39710 1.84874 -98.96813 433.45469
7975.0000 -101.24218 -98.78236 2.45982 1.88567 -98.52905 473.03441
7980.0000 -101.76346 -99.47361 2.28985 1.82914 -99.20114 405.19766
7985.0000 -101.26578 -99.26910 1.99667 1.82779 -99.21716 402.95259
7990.0000 -101.05169 -98.67971 2.37198 1.83970 -99.07557 418.95962
7995.0000 -100.91984 -98.63930 2.28054 1.85669 -98.87360 432.33502
8000.0000 -101.09694 -98.65831 2.43864 1.85770 -98.86153 433.23732
FREEZING PROCESS: loop number 33 T-loop= 405.00000000000000
main_MD> interactions number 33 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.22733 -0.70557 1.33273
force_rgl> df(natom) 0.09130 1.60337 -2.32813
8005.0000 -101.01692 -98.84069 2.17623 1.87606 -98.64330 450.09333
8010.0000 -101.65566 -99.02191 2.63375 1.85862 -98.85061 436.40458
8015.0000 -101.62907 -99.49261 2.13646 1.81771 -99.33704 399.53087
8020.0000 -101.29512 -98.96131 2.33380 1.81912 -99.32034 396.60709
8025.0000 -101.84544 -99.64103 2.20442 1.83020 -99.18854 411.98180
8030.0000 -101.26457 -99.09324 2.17133 1.80665 -99.46858 383.87662
8035.0000 -101.84620 -99.52090 2.32531 1.82541 -99.24556 403.12762
8040.0000 -101.63239 -99.03120 2.60118 1.83180 -99.16956 412.08763
8045.0000 -101.48037 -99.25101 2.22936 1.83862 -99.08844 429.83205
8050.0000 -101.24339 -99.19032 2.05307 1.82991 -99.19197 405.38319
8055.0000 -101.79804 -99.58717 2.21088 1.78528 -99.72263 374.01247
8060.0000 -101.53047 -99.07254 2.45793 1.79516 -99.60516 387.46761
8065.0000 -101.29115 -99.14169 2.14946 1.83862 -99.08849 437.53380
8070.0000 -101.31130 -98.48928 2.82202 1.88702 -98.51290 483.62492
8075.0000 -101.43754 -98.72469 2.71285 1.86784 -98.74105 445.38562
8080.0000 -101.38194 -99.28843 2.09351 1.85426 -98.90252 450.29010
8085.0000 -101.69395 -99.62417 2.06979 1.81629 -99.35400 404.96634
8090.0000 -100.77628 -98.86542 1.91086 1.82888 -99.20423 433.93693
8095.0000 -101.29637 -99.55109 1.74528 1.81467 -99.37321 419.69969
8100.0000 -101.65721 -99.48322 2.17399 1.76871 -99.91963 370.75254
8105.0000 -101.95319 -99.59615 2.35704 1.80902 -99.44034 397.53836
8110.0000 -101.89233 -100.16021 1.73211 1.77140 -99.88765 353.15500
8115.0000 -101.16541 -99.28250 1.88291 1.79382 -99.62110 390.63021
8120.0000 -101.45519 -99.47290 1.98229 1.80382 -99.50224 397.35056
8125.0000 -101.32877 -99.43874 1.89003 1.80905 -99.44009 406.33288
8130.0000 -101.90181 -99.79872 2.10309 1.78911 -99.67713 383.30415
8135.0000 -101.66480 -99.55742 2.10738 1.81494 -99.36998 403.87673
8140.0000 -101.65338 -99.39638 2.25700 1.81264 -99.39734 398.23220
8145.0000 -101.90436 -99.77685 2.12751 1.81158 -99.41001 402.34282
8150.0000 -101.64139 -99.90639 1.73500 1.78616 -99.71219 373.00731
8155.0000 -101.82608 -100.05172 1.77437 1.77420 -99.85437 365.29711
8160.0000 -101.54997 -99.94168 1.60828 1.75828 -100.04374 341.97298
8165.0000 -101.42393 -99.24242 2.18151 1.78406 -99.73721 367.39832
8170.0000 -101.47961 -99.64135 1.83826 1.80463 -99.49256 392.19289
8175.0000 -101.37532 -99.20840 2.16692 1.80799 -99.45268 405.23132
8180.0000 -101.34852 -99.35125 1.99727 1.82381 -99.26452 421.96448
8185.0000 -101.49963 -99.31700 2.18263 1.80316 -99.51011 401.30427
8190.0000 -101.72461 -99.85447 1.87013 1.78330 -99.74625 377.39260
8195.0000 -101.83527 -100.30990 1.52537 1.75327 -100.10326 347.33834
8200.0000 -101.90954 -100.04626 1.86328 1.76129 -100.00788 350.54461
8205.0000 -101.77932 -99.68541 2.09391 1.78785 -99.69214 381.19115
8210.0000 -101.47107 -99.71436 1.75671 1.78626 -99.71103 382.40818
8215.0000 -101.88052 -100.26495 1.61557 1.74822 -100.16325 343.55751
8220.0000 -101.85852 -99.66360 2.19492 1.76254 -99.99303 356.87847
8225.0000 -101.93643 -99.78599 2.15044 1.79097 -99.65495 368.77516
8230.0000 -101.83907 -99.83059 2.00849 1.76474 -99.96684 341.19915
8235.0000 -101.83268 -99.87192 1.96076 1.76825 -99.92510 356.35946
8240.0000 -101.06914 -99.03668 2.03246 1.80227 -99.52066 397.92152
8245.0000 -101.48151 -99.16852 2.31299 1.83661 -99.11228 431.08435
8250.0000 -101.56912 -99.29974 2.26938 1.81403 -99.38084 406.40118
FREEZING PROCESS: loop number 34 T-loop= 380.00000000000000
main_MD> interactions number 34 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00069 0.54179 0.08313
force_rgl> df(natom) -1.70451 -0.07175 -0.34540
8255.0000 -101.48759 -98.98985 2.49774 1.82512 -99.24895 420.59464
8260.0000 -101.53315 -99.62936 1.90380 1.82195 -99.28670 401.51809
8265.0000 -100.82889 -99.09992 1.72898 1.82432 -99.25846 393.69207
8270.0000 -101.56938 -99.75406 1.81532 1.80018 -99.54547 375.69268
8275.0000 -101.21642 -98.94833 2.26808 1.82798 -99.21492 410.56624
8280.0000 -101.76924 -99.57255 2.19668 1.82894 -99.20350 424.27235
8285.0000 -101.32453 -98.94593 2.37861 1.85196 -98.92986 432.58603
8290.0000 -102.00422 -100.04487 1.95934 1.80310 -99.51081 391.64897
8295.0000 -101.66478 -100.19251 1.47226 1.76017 -100.02120 346.86607
8300.0000 -101.71245 -99.47820 2.23426 1.78215 -99.75984 368.43796
8305.0000 -101.93626 -99.77258 2.16367 1.79342 -99.62591 380.58537
8310.0000 -101.96195 -100.01889 1.94306 1.78277 -99.75251 379.43277
8315.0000 -101.80614 -100.31068 1.49546 1.76043 -100.01816 361.63382
8320.0000 -101.53891 -100.22270 1.31621 1.74334 -100.22134 335.38704
8325.0000 -102.01741 -100.54027 1.47714 1.72552 -100.43321 312.44029
8330.0000 -101.94843 -99.83570 2.11273 1.74560 -100.19443 338.37450
8335.0000 -101.67356 -99.63396 2.03960 1.78641 -99.70927 379.62293
8340.0000 -101.50142 -99.42590 2.07552 1.77873 -99.80049 373.82221
8345.0000 -101.76767 -99.25260 2.51507 1.79098 -99.65492 388.53610
8350.0000 -101.43653 -99.04473 2.39180 1.84224 -99.04540 430.38271
8355.0000 -101.38080 -99.51999 1.86081 1.82474 -99.25343 420.34984
8360.0000 -100.83304 -98.58388 2.24917 1.81671 -99.34894 412.91933
8365.0000 -101.32355 -99.16915 2.15440 1.87159 -98.69645 463.42233
8370.0000 -101.58062 -99.66990 1.91071 1.82757 -99.21980 420.46095
8375.0000 -102.08359 -100.20095 1.88265 1.74043 -100.25590 340.19975
8380.0000 -101.62046 -99.65585 1.96461 1.76448 -99.96992 361.95806
8385.0000 -101.53776 -99.87050 1.66725 1.77260 -99.87348 352.72724
8390.0000 -101.53866 -99.77543 1.76324 1.78451 -99.73187 371.59012
8395.0000 -101.72874 -100.09550 1.63324 1.77182 -99.88272 356.57667
8400.0000 -101.66135 -99.67078 1.99056 1.76301 -99.98749 343.16608
8405.0000 -101.47871 -99.33000 2.14871 1.81436 -99.37689 389.49008
8410.0000 -101.64702 -99.29975 2.34727 1.80075 -99.53867 377.07204
8415.0000 -101.90633 -99.15050 2.75583 1.85111 -98.93995 426.31363
8420.0000 -101.80530 -99.65843 2.14687 1.81360 -99.38588 405.43098
8425.0000 -102.06853 -99.86474 2.20379 1.76719 -99.93778 363.40895
8430.0000 -101.60034 -100.06779 1.53255 1.76400 -99.97573 359.56541
8435.0000 -102.19167 -99.77416 2.41752 1.78581 -99.71637 379.08389
8440.0000 -101.51206 -99.16323 2.34884 1.82605 -99.23789 428.56862
8445.0000 -101.15317 -99.26112 1.89205 1.81603 -99.35709 417.24518
8450.0000 -101.72604 -99.80017 1.92587 1.81926 -99.31869 409.97781
8455.0000 -102.29633 -100.23621 2.06012 1.76040 -100.01846 352.47715
8460.0000 -101.72385 -99.88440 1.83945 1.78657 -99.70731 384.66313
8465.0000 -101.66786 -99.76041 1.90745 1.76898 -99.91651 368.55041
8470.0000 -101.77874 -99.90594 1.87280 1.77385 -99.85852 366.37115
8475.0000 -101.41438 -99.54785 1.86653 1.75747 -100.05338 350.26733
8480.0000 -102.03842 -99.94380 2.09462 1.77147 -99.88683 364.80550
8485.0000 -101.64679 -99.73596 1.91083 1.76947 -99.91070 360.23153
8490.0000 -101.65732 -99.11451 2.54281 1.80022 -99.54506 400.41250
8495.0000 -102.04294 -99.60100 2.44194 1.79684 -99.58521 394.30196
8500.0000 -101.63821 -99.49857 2.13965 1.80567 -99.48027 405.72281
FREEZING PROCESS: loop number 35 T-loop= 355.00000000000000
main_MD> interactions number 35 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24151 -0.93722 0.34402
force_rgl> df(natom) 0.27719 0.55391 0.51623
8505.0000 -101.49439 -99.38207 2.11232 1.79864 -99.56377 402.81034
8510.0000 -101.57921 -99.18055 2.39866 1.82862 -99.20734 433.73022
8515.0000 -101.31227 -99.23271 2.07956 1.82584 -99.24043 410.35535
8520.0000 -101.69903 -99.57892 2.12011 1.82382 -99.26440 402.69614
8525.0000 -101.68258 -99.96136 1.72122 1.79586 -99.59692 375.42917
8530.0000 -102.10206 -100.02471 2.07735 1.78205 -99.76104 356.94880
8535.0000 -101.83938 -100.18242 1.65696 1.73292 -100.34519 331.50882
8540.0000 -101.84510 -99.92586 1.91924 1.76795 -99.92868 366.46468
8545.0000 -101.78995 -100.14302 1.64693 1.77517 -99.84289 373.43828
8550.0000 -102.10010 -100.39088 1.70921 1.73376 -100.33527 320.54506
8555.0000 -102.09864 -100.49059 1.60805 1.72180 -100.47739 314.45946
8560.0000 -101.84891 -100.24352 1.60539 1.72400 -100.45132 318.47342
8565.0000 -101.73891 -100.28359 1.45532 1.72636 -100.42318 325.85648
8570.0000 -102.08220 -100.18944 1.89276 1.73428 -100.32907 336.00994
8575.0000 -101.96554 -100.12888 1.83666 1.77503 -99.84448 371.93130
8580.0000 -102.05328 -100.40221 1.65107 1.74357 -100.21859 336.48112
8585.0000 -102.24508 -100.42619 1.81888 1.74110 -100.24802 328.68045
8590.0000 -101.52571 -99.50061 2.02510 1.78049 -99.77958 364.04577
8595.0000 -101.59442 -99.68284 1.91158 1.80235 -99.51967 384.11862
8600.0000 -101.72808 -99.39309 2.33499 1.80332 -99.50819 380.90269
8605.0000 -101.49833 -99.69898 1.79935 1.81466 -99.37335 394.16225
8610.0000 -102.27734 -100.17476 2.10259 1.76516 -99.96186 345.65948
8615.0000 -102.03278 -100.49579 1.53699 1.73966 -100.26512 331.47947
8620.0000 -101.91351 -99.82244 2.09107 1.74676 -100.18068 335.26211
8625.0000 -102.02972 -99.87811 2.15161 1.77046 -99.89887 370.47902
8630.0000 -101.91074 -100.16114 1.74961 1.76615 -99.95014 354.01295
8635.0000 -102.17608 -100.16494 2.01113 1.75015 -100.14037 353.06625
8640.0000 -102.15555 -99.98782 2.16773 1.74676 -100.18067 351.21441
8645.0000 -101.50081 -99.07284 2.42797 1.78171 -99.76512 362.95930
8650.0000 -101.28455 -98.74274 2.54181 1.85658 -98.87494 456.76077
8655.0000 -101.74090 -99.36543 2.37546 1.83109 -99.17793 432.22329
8660.0000 -101.70791 -99.67472 2.03319 1.78920 -99.67611 399.41776
8665.0000 -101.92158 -99.77673 2.14485 1.78525 -99.72301 391.31623
8670.0000 -101.82509 -100.01549 1.80960 1.76900 -99.91623 370.84911
8675.0000 -101.94361 -100.21879 1.72482 1.76324 -99.98477 364.70138
8680.0000 -101.70407 -99.83406 1.87001 1.74612 -100.18833 346.89337
8685.0000 -101.74161 -100.15736 1.58425 1.75952 -100.02893 350.98022
8690.0000 -101.85299 -100.22880 1.62418 1.74862 -100.15860 337.60104
8695.0000 -101.47646 -99.70415 1.77232 1.74630 -100.18616 327.05109
8700.0000 -102.06515 -99.89878 2.16636 1.78644 -99.70892 377.60037
8705.0000 -102.00985 -100.27282 1.73703 1.76254 -99.99305 357.73869
8710.0000 -102.25434 -99.93621 2.31813 1.76954 -99.90985 366.56849
8715.0000 -101.09598 -99.44465 1.65133 1.77580 -99.83542 362.66894
8720.0000 -101.91696 -100.01432 1.90265 1.79490 -99.60826 377.26583
8725.0000 -101.96876 -100.12518 1.84359 1.73958 -100.26602 331.86073
8730.0000 -102.37512 -100.35204 2.02309 1.74047 -100.25549 325.92912
8735.0000 -102.23042 -100.71088 1.51954 1.72267 -100.46716 307.78595
8740.0000 -101.85709 -100.35481 1.50227 1.71501 -100.55823 309.62266
8745.0000 -101.78374 -100.06832 1.71542 1.75303 -100.10617 345.99992
8750.0000 -102.16579 -100.26971 1.89608 1.75239 -100.11370 330.50989
FREEZING PROCESS: loop number 36 T-loop= 330.00000000000000
main_MD> interactions number 36 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.47736 -1.21152 -0.31783
force_rgl> df(natom) 0.34844 1.49007 0.46720
8755.0000 -101.74056 -100.22074 1.51982 1.75224 -100.11557 328.29617
8760.0000 -102.18952 -100.55677 1.63275 1.73937 -100.26848 324.98136
8765.0000 -101.96764 -100.47205 1.49559 1.73132 -100.36423 322.87429
8770.0000 -101.87664 -100.09808 1.77856 1.74193 -100.23809 337.41731
8775.0000 -102.05179 -100.40528 1.64651 1.73403 -100.33207 319.95539
8780.0000 -101.83246 -100.17878 1.65368 1.73534 -100.31645 319.45964
8785.0000 -102.01312 -100.07735 1.93577 1.74395 -100.21412 331.33053
8790.0000 -102.13063 -100.69584 1.43480 1.71235 -100.58982 292.12634
8795.0000 -102.23560 -100.37921 1.85639 1.71662 -100.53906 298.98857
8800.0000 -101.82471 -100.07236 1.75235 1.74398 -100.21373 344.48210
8805.0000 -102.14120 -100.08025 2.06095 1.73307 -100.34347 331.42086
8810.0000 -101.81515 -100.08289 1.73226 1.74318 -100.22321 340.67573
8815.0000 -102.17066 -100.58296 1.58770 1.73098 -100.36832 323.26260
8820.0000 -101.69732 -99.77955 1.91776 1.75757 -100.05216 340.98883
8825.0000 -101.68547 -99.83899 1.84648 1.76270 -99.99119 353.79092
8830.0000 -101.82090 -100.06923 1.75167 1.75805 -100.04641 345.78291
8835.0000 -101.87985 -99.77104 2.10881 1.76770 -99.93169 374.62683
8840.0000 -102.10060 -99.71051 2.39009 1.77066 -99.89650 373.14748
8845.0000 -102.23772 -100.15000 2.08772 1.76983 -99.90635 364.42984
8850.0000 -101.92789 -100.43689 1.49100 1.74614 -100.18801 339.96367
8855.0000 -101.65538 -99.99306 1.66231 1.73179 -100.35871 321.61660
8860.0000 -101.91993 -100.55353 1.36640 1.73721 -100.29424 322.69131
8865.0000 -102.54145 -100.26790 2.27355 1.72798 -100.40395 318.77034
8870.0000 -102.16569 -100.16346 2.00223 1.75811 -100.04570 356.32739
8875.0000 -102.27566 -100.74221 1.53345 1.71642 -100.54146 301.48968
8880.0000 -101.79858 -100.16396 1.63462 1.72859 -100.39668 308.79646
8885.0000 -102.01961 -100.17546 1.84415 1.75223 -100.11558 326.40967
8890.0000 -101.76857 -99.89900 1.86957 1.76582 -99.95409 346.93907
8895.0000 -101.96443 -100.32766 1.63677 1.76789 -99.92940 349.36804
8900.0000 -101.87989 -100.07726 1.80263 1.73158 -100.36119 314.83924
8905.0000 -102.00960 -100.38742 1.62218 1.74119 -100.24684 324.47950
8910.0000 -101.73583 -100.11420 1.62164 1.73919 -100.27072 324.23108
8915.0000 -101.90767 -100.11183 1.79584 1.73041 -100.37505 317.95729
8920.0000 -101.79561 -99.84530 1.95031 1.76557 -99.95704 367.28401
8925.0000 -101.89809 -100.02287 1.87521 1.77583 -99.83497 371.87816
8930.0000 -102.26703 -100.70777 1.55925 1.72861 -100.39643 319.97843
8935.0000 -102.20167 -100.14552 2.05615 1.73463 -100.32488 331.16076
8940.0000 -102.25384 -100.89667 1.35717 1.69728 -100.76897 290.43974
8945.0000 -102.01643 -100.08830 1.92813 1.70074 -100.72784 293.52584
8950.0000 -101.60857 -99.91142 1.69715 1.75287 -100.10806 344.22147
8955.0000 -102.13259 -100.21448 1.91811 1.75963 -100.02766 353.24880
8960.0000 -102.27603 -100.51925 1.75678 1.72696 -100.41614 329.04235
8965.0000 -102.40240 -100.75302 1.64938 1.72309 -100.46214 320.36795
8970.0000 -102.00206 -100.22197 1.78009 1.72618 -100.42535 321.46757
8975.0000 -101.75262 -99.80651 1.94611 1.77308 -99.86767 359.59438
8980.0000 -102.31213 -100.25480 2.05733 1.75887 -100.03673 353.46294
8985.0000 -102.09454 -100.26100 1.83354 1.73516 -100.31859 333.62926
8990.0000 -102.59802 -100.46162 2.13640 1.73911 -100.27160 317.08761
8995.0000 -101.87382 -100.05788 1.81594 1.75056 -100.13549 339.84048
9000.0000 -101.55233 -99.61124 1.94109 1.76039 -100.01864 339.34842
FREEZING PROCESS: loop number 37 T-loop= 305.00000000000000
main_MD> interactions number 37 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12124 -1.37919 -0.68520
force_rgl> df(natom) 0.14630 0.50257 -1.07803
9005.0000 -101.95969 -100.85045 1.10925 1.74467 -100.20546 321.90474
9010.0000 -102.11928 -100.64861 1.47067 1.71528 -100.55498 297.95150
9015.0000 -102.29075 -100.82544 1.46532 1.70636 -100.66107 301.03010
9020.0000 -102.06411 -100.57923 1.48488 1.69526 -100.79300 290.53897
9025.0000 -102.68971 -101.08015 1.60956 1.69788 -100.76189 293.59096
9030.0000 -102.14981 -100.56986 1.57995 1.68720 -100.88889 281.51319
9035.0000 -102.37859 -100.66568 1.71290 1.71644 -100.54122 312.21434
9040.0000 -102.14838 -100.50207 1.64631 1.70224 -100.71005 301.89987
9045.0000 -101.89911 -100.40100 1.49811 1.72171 -100.47855 318.10772
9050.0000 -102.30288 -100.84567 1.45721 1.70758 -100.64647 306.58662
9055.0000 -102.04861 -100.33433 1.71428 1.70640 -100.66061 303.00252
9060.0000 -102.27910 -100.63867 1.64043 1.72508 -100.43844 319.54708
9065.0000 -102.27583 -100.55944 1.71639 1.70925 -100.62673 308.55115
9070.0000 -102.40448 -100.84870 1.55578 1.70264 -100.70526 299.16897
9075.0000 -102.35410 -100.80684 1.54726 1.68746 -100.88578 281.49012
9080.0000 -102.52020 -100.81551 1.70469 1.68168 -100.95452 269.64472
9085.0000 -101.88714 -100.50937 1.37777 1.70227 -100.70962 283.98494
9090.0000 -101.75820 -100.05332 1.70488 1.71921 -100.50829 296.16435
9095.0000 -101.65524 -99.83533 1.81990 1.75348 -100.10080 337.77729
9100.0000 -101.98106 -100.15484 1.82622 1.73518 -100.31831 312.22323
9105.0000 -102.23262 -100.59248 1.64014 1.72519 -100.43718 302.77559
9110.0000 -101.96718 -100.53687 1.43031 1.71960 -100.50359 295.76476
9115.0000 -101.73594 -100.44769 1.28825 1.72917 -100.38987 303.97462
9120.0000 -101.93394 -100.09731 1.83663 1.74895 -100.15466 330.11648
9125.0000 -102.22390 -100.28114 1.94276 1.75041 -100.13731 341.55298
9130.0000 -102.12144 -100.13145 1.98999 1.75663 -100.06330 350.65684
9135.0000 -102.10993 -100.25624 1.85369 1.74627 -100.18652 341.05206
9140.0000 -102.23866 -100.85354 1.38513 1.71129 -100.60246 295.40791
9145.0000 -102.29253 -100.83657 1.45595 1.70325 -100.69802 285.79856
9150.0000 -102.11863 -100.36035 1.75828 1.73976 -100.26386 332.37673
9155.0000 -102.00312 -100.30928 1.69384 1.72763 -100.40811 323.84328
9160.0000 -102.28517 -100.66262 1.62255 1.74647 -100.18408 340.51838
9165.0000 -102.51015 -100.80212 1.70803 1.70056 -100.72999 284.86855
9170.0000 -102.27574 -100.77013 1.50561 1.69775 -100.76337 282.67084
9175.0000 -101.98899 -100.23580 1.75319 1.72389 -100.45264 311.92257
9180.0000 -101.80220 -100.18472 1.61748 1.73699 -100.29687 320.45493
9185.0000 -102.30132 -100.42320 1.87813 1.73510 -100.31934 323.46988
9190.0000 -101.86890 -100.39599 1.47291 1.71811 -100.52138 311.43706
9195.0000 -102.08182 -100.58305 1.49878 1.71304 -100.58156 306.79191
9200.0000 -102.42406 -100.89027 1.53379 1.70044 -100.73137 299.82921
9205.0000 -102.43791 -101.08975 1.34816 1.68479 -100.91748 280.42625
9210.0000 -102.20577 -100.89780 1.30796 1.67885 -100.98812 276.58754
9215.0000 -102.48109 -101.09244 1.38864 1.68788 -100.88077 288.92160
9220.0000 -102.64613 -101.13899 1.50714 1.67946 -100.98086 273.99190
9225.0000 -101.97232 -100.38755 1.58477 1.69118 -100.84147 284.28573
9230.0000 -102.04867 -100.43448 1.61418 1.73887 -100.27447 332.73830
9235.0000 -102.35674 -100.74627 1.61047 1.70932 -100.62585 306.53646
9240.0000 -102.32140 -100.72891 1.59249 1.70441 -100.68420 297.97048
9245.0000 -102.22879 -100.58885 1.63994 1.71682 -100.53671 312.14993
9250.0000 -102.38230 -100.42060 1.96170 1.72122 -100.48436 320.65066
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 52.4022045 [s].
main_MD> Deallocating global variables
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