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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_89/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_89.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 = 89 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: 89 8900
main_MD> Size of nv and nvoiz: 89 8900
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 = 89
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.14112485352192661 7.4944414306999455E-002 -5.4181612287949196E-002 initial drift of cluster / NP1 for coalescence
init> 0.31993119457870400 0.33954429972347261 0.29992194706084008 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7639041448593535E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44579 0.93891 0.12976
force_rgl> df(natom) -3.73564 6.04549 -5.81709
preparo> THERMALIZATION PROCESS AT 1227.1854381847825
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -197.67349100162690 13.811652362838711 -211.48514336446561 6.8537856063803995E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1204.0000000000000
main_MD> interactions number 1 at Temperature= 1204.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50160 -0.29378 -0.90567
force_rgl> df(natom) -4.04572 -2.78472 0.21109
5.0000 -212.06222 -197.78822 14.27400 3.33688 -196.03273 1246.12271
10.0000 -211.35374 -197.46792 13.88581 3.24509 -197.86250 1175.10111
15.0000 -210.19666 -197.17588 13.02078 3.24345 -197.89523 1173.97103
20.0000 -210.91238 -197.84389 13.06849 3.23315 -198.10055 1208.00942
25.0000 -209.65958 -196.87859 12.78099 3.24397 -197.88489 1196.90319
30.0000 -212.05459 -197.18102 14.87357 3.30664 -196.63557 1208.29034
35.0000 -206.59548 -192.16705 14.42843 3.43399 -194.09698 1293.40526
40.0000 -207.26173 -193.92414 13.33759 3.43818 -194.01346 1290.42809
45.0000 -208.52724 -194.01289 14.51434 3.40626 -194.64981 1272.48020
50.0000 -210.55380 -198.01046 12.54334 3.39568 -194.86061 1269.28159
55.0000 -212.20433 -199.23645 12.96788 3.25446 -197.67572 1180.49234
60.0000 -211.15444 -197.67554 13.47889 3.29429 -196.88170 1167.28527
65.0000 -212.31939 -198.33068 13.98871 3.20301 -198.70141 1133.97398
70.0000 -211.85293 -197.15822 14.69471 3.22897 -198.18378 1145.22120
75.0000 -209.10539 -197.13458 11.97080 3.28701 -197.02686 1212.79841
80.0000 -208.85179 -194.80449 14.04730 3.37151 -195.34258 1258.47608
85.0000 -208.52792 -194.79931 13.72861 3.40423 -194.69032 1285.28263
90.0000 -210.41167 -196.38573 14.02594 3.39300 -194.91410 1280.10622
95.0000 -209.50609 -195.87677 13.62931 3.31512 -196.46650 1278.96430
100.0000 -213.77873 -198.96167 14.81706 3.27067 -197.35268 1218.28391
105.0000 -211.27970 -196.50240 14.77730 3.26254 -197.51461 1189.21703
110.0000 -211.26139 -196.03211 15.22928 3.37083 -195.35613 1233.41278
115.0000 -210.59027 -198.06640 12.52387 3.33221 -196.12597 1218.84565
120.0000 -212.25034 -199.26353 12.98681 3.19414 -198.87822 1141.54080
125.0000 -210.85595 -197.89470 12.96125 3.23973 -197.96940 1163.39540
130.0000 -210.60456 -197.58492 13.01964 3.31178 -196.53321 1193.19348
135.0000 -210.96789 -197.43103 13.53685 3.24978 -197.76908 1190.54830
140.0000 -212.41759 -197.48780 14.92979 3.28169 -197.13294 1200.14396
145.0000 -211.62179 -197.13614 14.48565 3.25701 -197.62489 1168.51513
150.0000 -210.21536 -195.29725 14.91812 3.36150 -195.54209 1233.50346
155.0000 -210.47606 -195.95784 14.51822 3.26595 -197.44668 1154.79155
160.0000 -212.28467 -196.37836 15.90631 3.32710 -196.22784 1230.60668
165.0000 -211.10447 -197.47594 13.62853 3.28321 -197.10262 1206.32769
170.0000 -212.64040 -198.32817 14.31223 3.25692 -197.62680 1177.21832
175.0000 -210.92077 -196.50963 14.41113 3.30323 -196.70365 1190.14910
180.0000 -209.35634 -195.02292 14.33342 3.37648 -195.24345 1247.29222
185.0000 -211.18991 -197.33459 13.85532 3.30286 -196.71087 1212.51596
190.0000 -210.66251 -196.32991 14.33260 3.35890 -195.59387 1248.18071
195.0000 -209.21413 -195.62592 13.58821 3.42643 -194.24778 1273.62011
200.0000 -211.35746 -198.88782 12.46963 3.28149 -197.13701 1209.63553
205.0000 -212.43024 -199.64628 12.78395 3.15263 -199.70571 1125.38725
210.0000 -209.81230 -197.58495 12.22735 3.23130 -198.13738 1173.48224
215.0000 -213.12865 -199.39174 13.73691 3.20552 -198.65139 1157.82906
220.0000 -211.38428 -199.04496 12.33933 3.16305 -199.49785 1138.00673
225.0000 -213.22716 -199.00178 14.22539 3.26039 -197.55763 1198.23586
230.0000 -211.91640 -195.49882 16.41759 3.26812 -197.40347 1208.33401
235.0000 -210.49772 -197.03189 13.46582 3.33873 -195.99597 1242.59370
240.0000 -207.61160 -193.77384 13.83776 3.34189 -195.93303 1248.90305
245.0000 -209.08647 -195.67551 13.41095 3.40744 -194.62621 1273.98088
250.0000 -209.88409 -193.60775 16.27633 3.41342 -194.50708 1307.27768
FREEZING PROCESS: loop number 2 T-loop= 1179.0000000000000
main_MD> interactions number 2 at Temperature= 1179.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23030 -2.35918 2.20098
force_rgl> df(natom) -3.41797 0.46762 1.70005
255.0000 -211.16301 -196.94229 14.22072 3.43792 -194.01875 1312.85599
260.0000 -211.73760 -197.38042 14.35718 3.26252 -197.51512 1161.84051
265.0000 -209.33602 -194.41507 14.92095 3.33693 -196.03183 1254.08651
270.0000 -211.52265 -198.02424 13.49840 3.32629 -196.24384 1253.87752
275.0000 -212.39848 -200.14454 12.25394 3.17885 -199.18304 1146.33478
280.0000 -212.01241 -198.50865 13.50376 3.20883 -198.58526 1145.24063
285.0000 -212.12699 -199.86742 12.25956 3.21885 -198.38564 1139.86956
290.0000 -210.97258 -196.31933 14.65326 3.23998 -197.96433 1142.99804
295.0000 -210.23878 -194.74690 15.49188 3.33350 -196.10014 1219.52514
300.0000 -208.76412 -196.65829 12.10583 3.38331 -195.10723 1271.85256
305.0000 -211.05241 -195.30599 15.74642 3.34820 -195.80712 1249.56471
310.0000 -211.40371 -197.65709 13.74662 3.31658 -196.43743 1210.11771
315.0000 -214.63268 -201.98185 12.65083 3.13472 -200.06271 1114.03892
320.0000 -211.65366 -198.91948 12.73418 3.15212 -199.71585 1149.15790
325.0000 -213.71277 -198.84782 14.86495 3.21919 -198.37885 1156.07634
330.0000 -211.02095 -198.29407 12.72688 3.22385 -198.28584 1193.58559
335.0000 -212.36060 -199.77445 12.58615 3.13803 -199.99675 1083.43650
340.0000 -208.54382 -196.83269 11.71113 3.23783 -198.00733 1154.02482
345.0000 -212.39171 -199.18591 13.20580 3.20803 -198.60123 1112.09544
350.0000 -213.88865 -200.69634 13.19231 3.17555 -199.24869 1147.42623
355.0000 -212.07924 -197.70528 14.37396 3.18808 -198.99901 1175.75152
360.0000 -213.69537 -200.97327 12.72211 3.15362 -199.68600 1129.44424
365.0000 -213.60391 -200.90359 12.70032 3.05272 -201.69719 1053.11248
370.0000 -212.92216 -199.28255 13.63961 3.15631 -199.63225 1133.24399
375.0000 -208.59605 -192.29072 16.30533 3.37029 -195.36677 1267.58704
380.0000 -207.23877 -192.35452 14.88426 3.50447 -192.69210 1353.61751
385.0000 -209.12636 -196.29336 12.83300 3.48697 -193.04083 1330.73061
390.0000 -210.41276 -196.54268 13.87008 3.34235 -195.92373 1224.36472
395.0000 -208.83878 -195.65531 13.18347 3.35961 -195.57976 1200.15002
400.0000 -211.64524 -197.41492 14.23033 3.35628 -195.64616 1242.50074
405.0000 -213.06865 -201.56737 11.50128 3.13906 -199.97613 1108.92435
410.0000 -214.04883 -199.49118 14.55765 3.09493 -200.85582 1114.69691
415.0000 -211.97600 -197.75276 14.22324 3.22389 -198.28516 1152.22897
420.0000 -211.07305 -197.56335 13.50970 3.27628 -197.24084 1198.66091
425.0000 -212.55161 -200.91239 11.63922 3.21783 -198.40596 1159.59259
430.0000 -211.66889 -198.61328 13.05561 3.13015 -200.15373 1149.61033
435.0000 -211.17769 -196.23320 14.94449 3.27170 -197.33202 1192.43726
440.0000 -208.13097 -194.71255 13.41841 3.35370 -195.69761 1223.11297
445.0000 -207.42148 -193.63934 13.78213 3.40439 -194.68710 1250.77278
450.0000 -208.06386 -194.95959 13.10426 3.42251 -194.32582 1261.04101
455.0000 -211.71557 -194.20171 17.51386 3.40535 -194.66797 1272.67339
460.0000 -211.03369 -197.45390 13.57979 3.35564 -195.65875 1231.58812
465.0000 -212.89415 -198.38561 14.50853 3.21361 -198.49006 1156.74472
470.0000 -210.16797 -196.09897 14.06900 3.25688 -197.62750 1190.53140
475.0000 -209.12984 -195.34393 13.78591 3.33431 -196.08396 1217.81649
480.0000 -213.39137 -199.78108 13.61029 3.25361 -197.69263 1221.16834
485.0000 -212.14502 -197.72684 14.41818 3.16590 -199.44110 1127.40036
490.0000 -211.31770 -198.91011 12.40759 3.22482 -198.26652 1157.31707
495.0000 -209.71294 -196.41068 13.30227 3.22704 -198.22233 1160.60047
500.0000 -212.63854 -196.43038 16.20815 3.37113 -195.35016 1273.75131
FREEZING PROCESS: loop number 3 T-loop= 1154.0000000000000
main_MD> interactions number 3 at Temperature= 1154.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41309 1.04616 -1.18394
force_rgl> df(natom) -4.41638 -1.56764 1.26240
505.0000 -210.55713 -196.34337 14.21376 3.30833 -196.60186 1218.82659
510.0000 -210.77399 -197.31476 13.45923 3.28223 -197.12221 1201.89054
515.0000 -210.83083 -195.70000 15.13083 3.33096 -196.15072 1257.57114
520.0000 -209.77422 -193.79867 15.97555 3.34699 -195.83133 1232.23167
525.0000 -208.17717 -194.26915 13.90802 3.33034 -196.16309 1236.50735
530.0000 -208.54297 -195.56608 12.97689 3.33466 -196.07707 1211.77977
535.0000 -211.88774 -198.52739 13.36034 3.24869 -197.79085 1136.59307
540.0000 -212.27700 -199.84806 12.42894 3.15271 -199.70405 1101.28666
545.0000 -212.62360 -198.11347 14.51013 3.15939 -199.57079 1170.60948
550.0000 -211.71600 -199.32851 12.38749 3.14205 -199.91645 1099.82457
555.0000 -214.17613 -199.40700 14.76912 3.17467 -199.26638 1141.77881
560.0000 -213.01303 -201.75100 11.26202 3.11195 -200.51651 1092.54415
565.0000 -209.30013 -197.36781 11.93232 3.13957 -199.96594 1105.47869
570.0000 -211.23063 -198.86724 12.36338 3.19132 -198.93432 1151.93650
575.0000 -211.87371 -198.87650 12.99720 3.17729 -199.21399 1158.18779
580.0000 -212.62057 -198.36029 14.26027 3.12373 -200.28180 1132.42927
585.0000 -210.06579 -197.15692 12.90887 3.30388 -196.69056 1207.82810
590.0000 -213.97308 -199.05894 14.91415 3.20588 -198.64422 1140.59637
595.0000 -212.54439 -199.21911 13.32528 3.15244 -199.70944 1141.20457
600.0000 -210.85910 -197.99850 12.86060 3.18843 -198.99199 1161.29083
605.0000 -208.58849 -196.43250 12.15600 3.22938 -198.17566 1155.15876
610.0000 -210.52420 -196.53194 13.99226 3.27212 -197.32376 1183.00619
615.0000 -211.19686 -198.10144 13.09542 3.28221 -197.12260 1220.78713
620.0000 -209.32288 -196.75707 12.56581 3.27285 -197.30916 1151.86763
625.0000 -209.41141 -195.69930 13.71211 3.31697 -196.42973 1184.87494
630.0000 -207.64183 -192.95096 14.69087 3.45058 -193.76641 1293.90186
635.0000 -209.48200 -194.27588 15.20612 3.42796 -194.21726 1293.14548
640.0000 -212.95688 -198.23541 14.72148 3.28512 -197.06460 1212.85586
645.0000 -207.40795 -194.43023 12.97772 3.32208 -196.32777 1217.77631
650.0000 -209.79194 -196.03332 13.75861 3.35356 -195.70026 1217.42373
655.0000 -209.26158 -196.64502 12.61655 3.29257 -196.91606 1162.94155
660.0000 -210.14252 -194.58388 15.55865 3.29621 -196.84354 1187.61240
665.0000 -212.02470 -197.31958 14.70512 3.33910 -195.98850 1241.18341
670.0000 -210.75521 -197.25934 13.49587 3.28892 -196.98879 1195.71369
675.0000 -209.47533 -197.22253 12.25280 3.27150 -197.33614 1188.60903
680.0000 -211.69740 -199.33002 12.36739 3.18195 -199.12117 1135.82874
685.0000 -208.15373 -195.16264 12.99109 3.23054 -198.15251 1185.95804
690.0000 -212.43567 -197.28872 15.14696 3.33021 -196.16582 1246.58582
695.0000 -210.28950 -196.52515 13.76435 3.30084 -196.75124 1221.36218
700.0000 -212.22292 -199.49429 12.72863 3.24338 -197.89655 1182.33883
705.0000 -211.88753 -196.21308 15.67445 3.24562 -197.85189 1171.93750
710.0000 -210.55665 -196.93141 13.62524 3.38273 -195.11878 1288.78778
715.0000 -211.18593 -196.88546 14.30047 3.29553 -196.85714 1212.51258
720.0000 -212.30510 -199.11294 13.19217 3.26957 -197.37453 1220.69677
725.0000 -209.69583 -195.73679 13.95904 3.25196 -197.72556 1178.38674
730.0000 -210.66360 -195.76483 14.89876 3.40034 -194.76774 1260.78596
735.0000 -212.49206 -198.17147 14.32059 3.28170 -197.13274 1211.99256
740.0000 -211.41502 -197.07334 14.34168 3.22978 -198.16770 1180.12092
745.0000 -212.16384 -197.62308 14.54076 3.23066 -198.15012 1154.58771
750.0000 -210.22096 -195.47955 14.74141 3.35461 -195.67944 1224.09779
FREEZING PROCESS: loop number 4 T-loop= 1129.0000000000000
main_MD> interactions number 4 at Temperature= 1129.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.19013 -2.05864 1.00915
force_rgl> df(natom) 0.27942 1.14795 -3.11962
755.0000 -212.27376 -198.98793 13.28583 3.24153 -197.93346 1195.29128
760.0000 -212.29583 -199.26807 13.02775 3.14403 -199.87715 1116.87015
765.0000 -211.90152 -199.81133 12.09020 3.16406 -199.47788 1112.62436
770.0000 -211.22140 -198.43960 12.78181 3.21383 -198.48574 1161.51750
775.0000 -210.54414 -198.07296 12.47118 3.26777 -197.41040 1168.51357
780.0000 -211.95381 -199.24049 12.71332 3.18859 -198.98885 1132.58606
785.0000 -211.60834 -200.61194 10.99640 3.08742 -201.00559 1068.88796
790.0000 -212.82912 -201.13911 11.69001 3.06608 -201.43082 1065.77498
795.0000 -210.32188 -197.84763 12.47425 3.14633 -199.83114 1131.99433
800.0000 -211.35860 -198.66067 12.69793 3.25279 -197.70898 1181.58272
805.0000 -212.42775 -199.24663 13.18112 3.13636 -200.02993 1119.76981
810.0000 -213.11696 -201.01628 12.10068 3.15521 -199.65412 1117.19544
815.0000 -212.42504 -198.93306 13.49199 3.11270 -200.50158 1112.21126
820.0000 -215.20638 -201.35592 13.85046 3.11388 -200.47805 1108.22475
825.0000 -214.53803 -202.10213 12.43590 3.06564 -201.43961 1078.94648
830.0000 -212.67246 -199.45318 13.21928 3.09551 -200.84423 1099.33593
835.0000 -212.58850 -199.22091 13.36759 3.19666 -198.82791 1175.45456
840.0000 -213.71046 -201.44820 12.26226 3.15254 -199.70740 1123.79579
845.0000 -209.90504 -197.06979 12.83525 3.19835 -198.79432 1186.17912
850.0000 -210.41381 -197.10329 13.31052 3.32865 -196.19689 1237.77267
855.0000 -212.37252 -198.58266 13.78986 3.20281 -198.70532 1157.38667
860.0000 -212.97004 -197.78890 15.18113 3.24251 -197.91401 1182.08633
865.0000 -214.45763 -203.07447 11.38315 3.09994 -200.75588 1070.20275
870.0000 -213.13727 -201.29572 11.84155 3.01815 -202.38642 1052.05881
875.0000 -211.25615 -198.82974 12.42641 3.14945 -199.76898 1113.28909
880.0000 -212.18134 -200.25661 11.92473 3.19407 -198.87953 1154.13526
885.0000 -214.06222 -201.35682 12.70539 3.09166 -200.92102 1072.14737
890.0000 -213.85773 -202.29255 11.56519 3.00404 -202.66772 1045.50809
895.0000 -211.40244 -197.25706 14.14538 3.13185 -200.11980 1118.03114
900.0000 -207.92155 -194.18551 13.73603 3.28486 -197.06985 1206.31113
905.0000 -210.51736 -194.95043 15.56693 3.41229 -194.52966 1290.20591
910.0000 -214.75609 -199.95314 14.80295 3.24374 -197.88954 1190.46114
915.0000 -213.13084 -198.34103 14.78981 3.26113 -197.54272 1179.20292
920.0000 -213.32622 -201.34370 11.98253 3.23332 -198.09725 1145.33187
925.0000 -216.27702 -203.99119 12.28583 3.03113 -202.12771 1057.20452
930.0000 -212.26143 -199.38282 12.87862 3.07977 -201.15793 1095.52566
935.0000 -209.92326 -198.55950 11.36377 3.24510 -197.86226 1203.94141
940.0000 -214.70195 -201.86452 12.83743 3.16993 -199.36070 1134.93244
945.0000 -214.66548 -202.03812 12.62736 3.04688 -201.81362 1064.99655
950.0000 -210.61596 -198.52389 12.09207 3.09029 -200.94822 1090.41618
955.0000 -212.60975 -200.88987 11.71988 3.14253 -199.90689 1119.26781
960.0000 -213.22745 -201.88889 11.33857 3.06666 -201.41933 1078.23448
965.0000 -213.60778 -201.13329 12.47449 3.01416 -202.46584 1025.98160
970.0000 -213.15735 -199.08874 14.06861 3.15707 -199.61721 1127.86964
975.0000 -213.53502 -199.10956 14.42545 3.14497 -199.85828 1098.31570
980.0000 -213.78037 -199.20319 14.57718 3.18283 -199.10372 1127.57454
985.0000 -211.25179 -197.57754 13.67425 3.20874 -198.58719 1174.80526
990.0000 -212.05492 -198.99556 13.05936 3.26171 -197.53133 1212.76388
995.0000 -215.62842 -201.62902 13.99940 3.13074 -200.14200 1106.84290
1000.0000 -214.59652 -201.41742 13.17909 3.13626 -200.03193 1120.84018
FREEZING PROCESS: loop number 5 T-loop= 1104.0000000000000
main_MD> interactions number 5 at Temperature= 1104.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09295 4.27531 -1.42710
force_rgl> df(natom) 1.89790 0.63941 1.09693
1005.0000 -213.57534 -202.26199 11.31336 3.07194 -201.31405 1094.92481
1010.0000 -214.28991 -202.43298 11.85693 3.04123 -201.92633 1039.06810
1015.0000 -213.06400 -200.40406 12.65994 3.03188 -202.11266 1044.32458
1020.0000 -215.39792 -202.71740 12.68051 3.05069 -201.73767 1055.47150
1025.0000 -216.08547 -203.28292 12.80255 2.99345 -202.87870 1017.43172
1030.0000 -212.23937 -200.25809 11.98128 3.04966 -201.75822 1014.61268
1035.0000 -214.81682 -203.00769 11.80914 2.98099 -203.12704 987.87567
1040.0000 -214.28122 -202.51639 11.76484 2.97566 -203.23342 1008.85483
1045.0000 -211.41976 -199.63560 11.78415 3.08721 -201.00980 1082.21814
1050.0000 -212.77173 -199.97254 12.79919 3.14742 -199.80948 1131.97769
1055.0000 -211.04604 -198.06066 12.98538 3.12027 -200.35065 1124.19345
1060.0000 -213.47740 -200.16085 13.31655 3.17323 -199.29500 1138.16728
1065.0000 -212.07613 -199.00476 13.07137 3.14508 -199.85612 1107.95702
1070.0000 -213.79593 -201.45531 12.34062 3.10254 -200.70418 1066.38284
1075.0000 -212.12385 -199.19594 12.92791 3.16615 -199.43617 1153.35972
1080.0000 -210.70822 -197.98875 12.71947 3.22527 -198.25759 1172.83653
1085.0000 -215.13661 -201.62477 13.51184 3.16532 -199.45269 1136.17069
1090.0000 -216.07218 -203.85153 12.22065 3.03849 -201.98085 1057.79216
1095.0000 -212.91560 -201.39511 11.52049 3.04228 -201.90531 1064.51709
1100.0000 -211.40727 -199.02011 12.38717 3.07352 -201.28268 1047.14683
1105.0000 -211.25409 -196.16171 15.09238 3.20117 -198.73813 1146.70264
1110.0000 -211.32775 -197.07812 14.24963 3.32226 -196.32418 1195.52725
1115.0000 -210.38848 -198.10150 12.28698 3.28257 -197.11536 1180.20586
1120.0000 -212.19209 -199.44546 12.74664 3.21116 -198.53885 1125.44620
1125.0000 -209.89721 -197.97632 11.92089 3.20935 -198.57500 1166.19964
1130.0000 -211.26121 -198.35565 12.90555 3.20758 -198.61029 1132.37475
1135.0000 -210.09489 -197.17972 12.91517 3.25781 -197.60907 1170.90990
1140.0000 -214.68069 -202.77230 11.90839 3.16696 -199.41993 1130.16431
1145.0000 -214.80182 -201.74181 13.06002 2.97408 -203.26490 982.48738
1150.0000 -212.08575 -200.69865 11.38710 3.07060 -201.34080 1062.39357
1155.0000 -212.63476 -199.89585 12.73892 3.12416 -200.27309 1115.46166
1160.0000 -214.08585 -203.03541 11.05045 3.04560 -201.83926 1037.61045
1165.0000 -214.22469 -201.99618 12.22851 3.00123 -202.72368 1009.04085
1170.0000 -213.49743 -200.41303 13.08440 3.04842 -201.78295 1068.03298
1175.0000 -212.84732 -201.31207 11.53524 3.08068 -201.13991 1086.00706
1180.0000 -213.49521 -200.60842 12.88679 3.08610 -201.03179 1119.96551
1185.0000 -212.89308 -201.62424 11.26884 3.08316 -201.09051 1071.67413
1190.0000 -212.42976 -200.13966 12.29010 3.10577 -200.63981 1089.21968
1195.0000 -209.39159 -197.27044 12.12114 3.24039 -197.95616 1149.96508
1200.0000 -211.49234 -198.82785 12.66450 3.21644 -198.43362 1132.36461
1205.0000 -212.80914 -196.99978 15.80936 3.16198 -199.51917 1122.23778
1210.0000 -213.33071 -198.61069 14.72002 3.12781 -200.20049 1138.11035
1215.0000 -211.13215 -198.76395 12.36820 3.19984 -198.76464 1119.97307
1220.0000 -212.16888 -199.11649 13.05238 3.22427 -198.27755 1171.54828
1225.0000 -214.48001 -199.28663 15.19338 3.20959 -198.57028 1177.62131
1230.0000 -215.52404 -203.71801 11.80603 3.05166 -201.71831 1063.26467
1235.0000 -214.47440 -201.38880 13.08560 2.98415 -203.06408 1032.98712
1240.0000 -214.63872 -201.58132 13.05740 3.02918 -202.16653 1049.17103
1245.0000 -214.91760 -202.69052 12.22707 3.02425 -202.26469 1037.58765
1250.0000 -213.97652 -201.68954 12.28697 3.05138 -201.72388 1085.77526
FREEZING PROCESS: loop number 6 T-loop= 1079.0000000000000
main_MD> interactions number 6 at Temperature= 1079.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23067 -2.99343 -1.32638
force_rgl> df(natom) -0.69065 -1.24385 1.75578
1255.0000 -215.21517 -202.74905 12.46612 3.01023 -202.54423 1039.18647
1260.0000 -213.66482 -200.64746 13.01735 3.01411 -202.46682 1046.42806
1265.0000 -214.48660 -203.17808 11.30852 3.06738 -201.40494 1084.35198
1270.0000 -213.24811 -202.36138 10.88673 3.05444 -201.66290 1067.32299
1275.0000 -213.43830 -201.68459 11.75371 2.98980 -202.95154 1010.46735
1280.0000 -212.89013 -199.85742 13.03271 3.13328 -200.09139 1104.01396
1285.0000 -215.49745 -203.24564 12.25181 3.05687 -201.61459 1047.47310
1290.0000 -215.53677 -204.82741 10.70935 3.00080 -202.73220 1043.04183
1295.0000 -215.67649 -204.09936 11.57713 2.93839 -203.97623 983.38317
1300.0000 -213.73212 -201.75715 11.97496 2.97861 -203.17464 999.56167
1305.0000 -214.17376 -201.85357 12.32020 3.00318 -202.68483 1040.35535
1310.0000 -214.66786 -202.59991 12.06795 2.98139 -203.11914 1011.42476
1315.0000 -211.98397 -199.60769 12.37627 3.06274 -201.49750 1075.10617
1320.0000 -211.13495 -199.07475 12.06020 3.12327 -200.29085 1091.51698
1325.0000 -214.81795 -201.04416 13.77379 3.11137 -200.52817 1107.13770
1330.0000 -212.16333 -200.96018 11.20315 3.09969 -200.76085 1087.18914
1335.0000 -214.51007 -200.59322 13.91685 3.04879 -201.77555 1073.03488
1340.0000 -212.90435 -200.22111 12.68324 3.07554 -201.24229 1055.58127
1345.0000 -211.45395 -200.28597 11.16797 3.15764 -199.60573 1082.58154
1350.0000 -214.78701 -202.33907 12.44794 3.10374 -200.68030 1080.31503
1355.0000 -214.25312 -202.36918 11.88394 2.97059 -203.33443 983.30248
1360.0000 -214.37082 -203.41243 10.95839 3.06879 -201.37698 1044.31923
1365.0000 -213.62313 -201.95459 11.66854 3.03513 -202.04795 1052.45353
1370.0000 -212.89231 -199.71060 13.18171 3.10850 -200.58538 1120.20526
1375.0000 -212.76734 -197.99106 14.77628 3.11843 -200.38742 1111.99876
1380.0000 -213.40608 -200.91757 12.48850 3.18184 -199.12339 1154.26104
1385.0000 -212.41311 -201.11929 11.29382 3.03316 -202.08718 1035.28453
1390.0000 -211.90701 -199.65150 12.25551 3.07713 -201.21058 1085.07934
1395.0000 -214.03573 -202.23420 11.80153 3.08839 -200.98618 1087.85477
1400.0000 -214.54113 -201.06878 13.47235 3.05681 -201.61569 1046.89160
1405.0000 -212.34164 -200.95468 11.38696 3.13739 -200.00940 1103.44903
1410.0000 -212.93886 -201.93888 10.99998 3.11639 -200.42809 1112.51157
1415.0000 -211.49216 -198.57328 12.91888 3.12603 -200.23585 1075.06318
1420.0000 -211.36505 -198.36369 13.00136 3.18127 -199.13478 1122.19025
1425.0000 -213.40349 -200.23121 13.17228 3.19749 -198.81136 1141.97650
1430.0000 -211.82244 -201.17356 10.64888 3.05869 -201.57820 1058.15597
1435.0000 -213.81276 -201.27776 12.53500 3.06243 -201.50373 1042.00318
1440.0000 -212.56866 -199.87142 12.69724 3.10393 -200.67637 1081.91075
1445.0000 -211.78452 -199.69089 12.09363 3.16309 -199.49707 1113.73731
1450.0000 -214.12826 -201.72158 12.40668 3.03873 -201.97619 1046.51214
1455.0000 -212.36132 -199.24503 13.11628 3.10655 -200.62418 1077.81491
1460.0000 -217.12451 -205.31256 11.81195 3.03243 -202.10165 1066.97987
1465.0000 -212.65701 -201.66299 10.99401 2.97512 -203.24419 1018.33556
1470.0000 -214.24724 -200.71523 13.53200 3.03819 -201.98691 1058.64523
1475.0000 -213.60347 -201.87959 11.72388 3.08723 -201.00928 1082.05814
1480.0000 -214.15965 -203.19395 10.96570 2.97808 -203.18506 1014.85095
1485.0000 -215.75104 -203.31111 12.43994 2.99204 -202.90689 1017.42872
1490.0000 -212.11382 -201.21420 10.89962 3.03748 -202.00099 1041.30329
1495.0000 -211.09438 -195.41312 15.68126 3.19026 -198.95562 1136.49227
1500.0000 -211.59343 -199.53407 12.05936 3.21818 -198.39900 1143.30032
FREEZING PROCESS: loop number 7 T-loop= 1054.0000000000000
main_MD> interactions number 7 at Temperature= 1054.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.95419 2.42310 4.73330
force_rgl> df(natom) 4.63727 -0.53283 -4.04729
1505.0000 -212.34469 -200.16814 12.17656 3.14182 -199.92116 1094.77784
1510.0000 -214.99862 -200.75905 14.23958 3.07500 -201.25313 1054.01395
1515.0000 -214.65237 -201.92876 12.72361 3.09018 -200.95054 1083.85151
1520.0000 -211.36149 -198.36279 12.99870 3.08283 -201.09710 1102.45511
1525.0000 -214.36327 -201.62168 12.74159 3.13566 -200.04393 1108.77546
1530.0000 -216.17671 -204.76200 11.41472 2.93811 -203.98182 977.83195
1535.0000 -214.64419 -203.52381 11.12039 2.91290 -204.48441 985.09685
1540.0000 -214.94783 -203.08165 11.86619 3.00231 -202.70210 997.77614
1545.0000 -213.84111 -203.10804 10.73308 2.99593 -202.82935 1022.97655
1550.0000 -217.40318 -205.21805 12.18513 2.93793 -203.98544 982.86610
1555.0000 -214.61002 -203.28509 11.32493 2.93052 -204.13322 1006.60331
1560.0000 -211.95075 -199.89949 12.05127 3.04470 -201.85702 1062.79746
1565.0000 -213.11386 -200.59681 12.51704 3.10241 -200.70679 1067.17819
1570.0000 -215.95798 -205.07911 10.87887 3.02264 -202.29680 1030.56816
1575.0000 -217.13827 -205.49046 11.64780 2.86855 -205.36839 954.59671
1580.0000 -213.96568 -202.96844 10.99724 2.99350 -202.87768 1026.09404
1585.0000 -214.97922 -200.68735 14.29187 3.00073 -202.73368 1013.99543
1590.0000 -213.97746 -201.03732 12.94014 3.10076 -200.73964 1069.76808
1595.0000 -214.84948 -203.23052 11.61896 3.02836 -202.18283 1037.78983
1600.0000 -214.14508 -202.05549 12.08959 2.98105 -203.12591 1023.50298
1605.0000 -214.57271 -201.32505 13.24766 3.11266 -200.50238 1070.91857
1610.0000 -217.04750 -203.77640 13.27110 2.98746 -202.99805 1021.64404
1615.0000 -217.00037 -203.67460 13.32577 2.97412 -203.26396 1003.41380
1620.0000 -215.57565 -205.06788 10.50776 2.86998 -205.34005 931.97192
1625.0000 -215.63341 -203.56113 12.07228 2.88510 -205.03866 967.08190
1630.0000 -213.53805 -201.57653 11.96152 2.99303 -202.88705 1011.79721
1635.0000 -213.45999 -199.60238 13.85761 3.09114 -200.93143 1073.64692
1640.0000 -212.07667 -200.66057 11.41609 3.17344 -199.29073 1148.47560
1645.0000 -214.86964 -201.26822 13.60142 3.10842 -200.58701 1115.72999
1650.0000 -213.92860 -201.15313 12.77547 3.07384 -201.27628 1068.49548
1655.0000 -212.53641 -200.84455 11.69186 3.12129 -200.33032 1068.21177
1660.0000 -214.86710 -202.33774 12.52936 3.07034 -201.34605 1071.52919
1665.0000 -213.71272 -201.03713 12.67559 3.05709 -201.61020 1058.61840
1670.0000 -213.56082 -201.51266 12.04816 3.11680 -200.41994 1070.26029
1675.0000 -214.33277 -202.38715 11.94562 3.00075 -202.73327 1025.16490
1680.0000 -213.43148 -202.56279 10.86870 2.99961 -202.75586 1017.42311
1685.0000 -215.56562 -202.07709 13.48853 2.95699 -203.60556 1009.44569
1690.0000 -214.61432 -203.25497 11.35936 3.02953 -202.15941 1038.59364
1695.0000 -215.13180 -204.32443 10.80737 2.99866 -202.77488 1004.20043
1700.0000 -214.99552 -202.36642 12.62910 2.98137 -203.11956 995.04652
1705.0000 -213.46010 -203.49289 9.96721 2.96432 -203.45932 1026.49193
1710.0000 -214.29792 -202.79600 11.50192 2.98995 -202.94859 1017.08403
1715.0000 -216.50037 -204.50091 11.99946 2.93571 -204.02963 1018.33716
1720.0000 -215.70433 -203.92992 11.77441 2.86912 -205.35702 968.03257
1725.0000 -214.29933 -202.16297 12.13635 2.97562 -203.23407 1033.16977
1730.0000 -213.03997 -201.76676 11.27321 3.04253 -201.90041 1040.24248
1735.0000 -215.80541 -204.14228 11.66313 3.00660 -202.61666 1016.74284
1740.0000 -215.45707 -204.98596 10.47111 2.91582 -204.42628 989.28779
1745.0000 -214.60852 -205.03141 9.57711 2.92777 -204.18799 989.83017
1750.0000 -215.84584 -205.14298 10.70285 2.91379 -204.46671 969.99258
FREEZING PROCESS: loop number 8 T-loop= 1029.0000000000000
main_MD> interactions number 8 at Temperature= 1029.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40576 1.03249 0.19159
force_rgl> df(natom) -1.04313 0.81360 -4.36502
1755.0000 -213.71591 -204.09068 9.62523 2.89659 -204.80949 934.07538
1760.0000 -215.42296 -201.37597 14.04700 3.07472 -201.25864 1036.78981
1765.0000 -212.46053 -200.56393 11.89660 3.06584 -201.43568 1048.14951
1770.0000 -213.12794 -201.20430 11.92364 3.07960 -201.16136 1088.54412
1775.0000 -212.82028 -201.21336 11.60692 3.08589 -201.03602 1085.38295
1780.0000 -216.27160 -203.89766 12.37394 3.03231 -202.10418 1045.42328
1785.0000 -214.34470 -203.92583 10.41888 2.97929 -203.16095 993.75906
1790.0000 -215.54751 -203.44180 12.10570 2.97548 -203.23688 1000.08321
1795.0000 -216.59488 -204.82639 11.76849 2.91579 -204.42687 983.44545
1800.0000 -213.97320 -202.86466 11.10854 2.99984 -202.75130 1042.06962
1805.0000 -213.54884 -203.33892 10.20991 2.97510 -203.24455 1008.90022
1810.0000 -214.15674 -203.63453 10.52221 2.96956 -203.35490 1012.44663
1815.0000 -216.13222 -203.20849 12.92373 2.93928 -203.95851 1010.64565
1820.0000 -215.95019 -204.81765 11.13254 2.92041 -204.33461 999.22624
1825.0000 -215.15994 -204.35901 10.80093 2.86405 -205.45811 954.76345
1830.0000 -215.29959 -204.19960 11.10000 2.84895 -205.75921 937.43303
1835.0000 -212.75866 -200.97882 11.77984 3.03383 -202.07375 1051.43482
1840.0000 -216.06757 -203.66936 12.39821 3.03387 -202.07296 1058.15609
1845.0000 -216.63208 -203.13913 13.49295 2.96455 -203.45487 1009.82426
1850.0000 -217.14446 -205.01732 12.12714 2.96307 -203.48439 1018.53578
1855.0000 -213.39015 -203.39137 9.99878 2.96353 -203.47507 993.57275
1860.0000 -213.52992 -203.14369 10.38623 2.98216 -203.10380 1027.72127
1865.0000 -214.25739 -201.59189 12.66550 2.99421 -202.86350 995.08013
1870.0000 -213.63417 -200.61691 13.01726 3.15300 -199.69821 1104.24688
1875.0000 -213.30657 -201.03473 12.27184 3.05550 -201.64178 1030.81990
1880.0000 -215.34367 -202.57779 12.76588 3.05191 -201.71334 1055.78607
1885.0000 -213.43644 -202.25687 11.17957 3.03324 -202.08563 1018.05569
1890.0000 -213.20194 -201.09575 12.10619 3.01349 -202.47931 1009.40002
1895.0000 -214.17302 -201.81004 12.36298 3.06013 -201.54958 1074.48676
1900.0000 -212.15337 -198.67137 13.48200 3.09465 -200.86136 1054.46635
1905.0000 -213.87747 -203.00896 10.86851 3.12489 -200.25866 1092.90767
1910.0000 -215.43986 -204.50320 10.93666 2.97073 -203.33171 1003.68836
1915.0000 -215.49429 -204.27977 11.21452 2.93665 -204.01097 973.07338
1920.0000 -213.06289 -201.05790 12.00499 3.06714 -201.40974 1078.53409
1925.0000 -214.20094 -201.07001 13.13093 3.12544 -200.24768 1075.93858
1930.0000 -214.57774 -202.35345 12.22429 3.05119 -201.72773 1069.69690
1935.0000 -215.59531 -200.67518 14.92013 3.06858 -201.38104 1103.90346
1940.0000 -216.02302 -203.57873 12.44429 2.96945 -203.35708 1006.80248
1945.0000 -212.81428 -202.10250 10.71178 3.01572 -202.43471 1037.54128
1950.0000 -215.22072 -203.17813 12.04259 3.02418 -202.26609 1003.47046
1955.0000 -214.06281 -202.62857 11.43424 3.02441 -202.26156 1027.29666
1960.0000 -214.32660 -202.53254 11.79406 3.01921 -202.36527 1054.21230
1965.0000 -212.82932 -199.47259 13.35672 3.03914 -201.96795 1049.96104
1970.0000 -214.52377 -202.67926 11.84450 3.09518 -200.85081 1070.49181
1975.0000 -213.27365 -201.78843 11.48521 2.95618 -203.62171 1013.13457
1980.0000 -215.44491 -203.37489 12.07002 3.02055 -202.33860 1034.35042
1985.0000 -214.01113 -200.26767 13.74345 3.05615 -201.62888 1045.16409
1990.0000 -213.48436 -203.51188 9.97249 3.00682 -202.61215 1024.01408
1995.0000 -214.08987 -203.78003 10.30984 2.97527 -203.24117 1001.87241
2000.0000 -216.97625 -203.61205 13.36419 2.97358 -203.27484 1008.78882
FREEZING PROCESS: loop number 9 T-loop= 1004.0000000000000
main_MD> interactions number 9 at Temperature= 1004.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70088 3.57226 -4.33167
force_rgl> df(natom) -4.29062 4.79685 -3.55899
2005.0000 -214.22388 -201.82415 12.39973 2.98628 -203.02164 999.77118
2010.0000 -213.34053 -202.69748 10.64305 2.95921 -203.56131 982.54074
2015.0000 -216.55768 -204.23217 12.32552 2.94484 -203.84772 994.80091
2020.0000 -215.98564 -206.09259 9.89305 2.95978 -203.54992 998.34220
2025.0000 -214.79718 -202.94109 11.85609 2.90777 -204.58667 954.54014
2030.0000 -213.33567 -200.96425 12.37142 3.03636 -202.02340 1024.66198
2035.0000 -213.10405 -202.59813 10.50592 3.04145 -201.92196 1044.23165
2040.0000 -215.23856 -202.63014 12.60842 3.06270 -201.49822 1070.39965
2045.0000 -215.86957 -205.62558 10.24399 2.96812 -203.38361 974.20877
2050.0000 -215.90647 -206.66924 9.23723 2.86981 -205.34332 953.74586
2055.0000 -215.14998 -203.28097 11.86900 2.94459 -203.85272 986.57001
2060.0000 -215.01445 -203.58857 11.42588 2.98180 -203.11098 988.83778
2065.0000 -215.59866 -202.94797 12.65069 2.98716 -203.00406 1022.94724
2070.0000 -216.05474 -203.07735 12.97739 3.00589 -202.63064 1034.59810
2075.0000 -215.71535 -204.63888 11.07647 2.90670 -204.60791 958.76837
2080.0000 -215.73073 -203.78165 11.94907 2.91160 -204.51024 967.86599
2085.0000 -214.87923 -204.41948 10.45975 2.84404 -205.85710 939.22070
2090.0000 -216.58643 -205.37679 11.20964 2.87155 -205.30864 946.08080
2095.0000 -214.23673 -201.81126 12.42547 2.98723 -203.00272 1038.11820
2100.0000 -214.54631 -202.91753 11.62877 2.99406 -202.86650 1002.75151
2105.0000 -214.84378 -202.25664 12.58715 2.99081 -202.93137 988.94961
2110.0000 -214.81884 -204.74185 10.07700 2.91702 -204.40226 950.01331
2115.0000 -216.57309 -204.02459 12.54850 2.86874 -205.36469 951.41202
2120.0000 -214.72825 -203.84572 10.88252 2.93766 -203.99085 988.54771
2125.0000 -214.63815 -201.04796 13.59019 2.97874 -203.17199 1010.68981
2130.0000 -215.48829 -204.60150 10.88679 2.96238 -203.49802 994.78318
2135.0000 -216.48636 -204.21009 12.27627 2.93300 -204.08371 982.72453
2140.0000 -214.77225 -203.50015 11.27210 2.97187 -203.30881 1008.20815
2145.0000 -216.49102 -206.07481 10.41621 2.89627 -204.81588 983.71330
2150.0000 -214.64351 -203.95817 10.68534 2.89812 -204.77900 984.26818
2155.0000 -215.73695 -204.25939 11.47757 2.90443 -204.65321 982.69755
2160.0000 -213.59941 -203.00594 10.59348 2.90905 -204.56121 1002.40592
2165.0000 -215.77197 -204.85579 10.91618 2.89184 -204.90421 959.77589
2170.0000 -219.10857 -206.38093 12.72764 2.85890 -205.56086 944.38436
2175.0000 -213.47322 -202.53565 10.93757 2.94330 -203.87844 1010.74641
2180.0000 -214.01807 -203.64048 10.37759 2.99499 -202.84801 1011.56427
2185.0000 -214.02162 -202.32460 11.69702 3.02160 -202.31757 1019.24277
2190.0000 -214.22471 -202.91610 11.30861 3.04888 -201.77382 1040.79372
2195.0000 -214.77566 -203.30209 11.47357 3.01538 -202.44160 998.61480
2200.0000 -214.49067 -204.46386 10.02681 3.03638 -202.02298 1023.42800
2205.0000 -213.93391 -202.15410 11.77980 2.93639 -204.01611 978.22006
2210.0000 -214.82837 -201.93984 12.88853 3.01756 -202.39802 1039.05410
2215.0000 -215.37175 -203.02123 12.35052 3.03145 -202.12129 1053.20807
2220.0000 -218.45335 -206.34127 12.11208 2.93367 -204.07034 964.05929
2225.0000 -218.06698 -206.93122 11.13576 2.85938 -205.55131 948.66372
2230.0000 -216.50277 -206.65428 9.84849 2.82883 -206.16018 926.29986
2235.0000 -216.10385 -204.73374 11.37011 2.82981 -206.14074 955.49395
2240.0000 -215.97828 -206.48450 9.49378 2.85436 -205.65140 924.22775
2245.0000 -215.94531 -203.92909 12.01622 2.89561 -204.82913 943.86835
2250.0000 -215.19827 -203.37604 11.82223 2.99034 -202.94082 988.47400
FREEZING PROCESS: loop number 10 T-loop= 979.00000000000000
main_MD> interactions number 10 at Temperature= 979.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42528 0.38494 1.69048
force_rgl> df(natom) -2.38023 -0.10992 0.32149
2255.0000 -217.15204 -206.15338 10.99867 2.89426 -204.85599 977.12683
2260.0000 -215.01170 -204.97746 10.03424 2.86160 -205.50710 933.76272
2265.0000 -215.91676 -204.91423 11.00253 2.84687 -205.80063 923.07359
2270.0000 -216.44925 -205.87087 10.57839 2.85867 -205.56546 926.73157
2275.0000 -213.39310 -202.10308 11.29001 2.94294 -203.88556 987.60174
2280.0000 -215.30942 -204.84751 10.46191 2.93015 -204.14049 974.62015
2285.0000 -215.03101 -205.58281 9.44820 2.88353 -205.06995 977.44058
2290.0000 -216.02877 -204.28927 11.73950 2.91164 -204.50957 944.15433
2295.0000 -214.29414 -203.57115 10.72299 2.91794 -204.38400 963.98767
2300.0000 -212.33382 -201.21228 11.12155 3.02809 -202.18830 1050.60610
2305.0000 -212.50999 -200.97006 11.53993 3.04233 -201.90436 1035.06534
2310.0000 -213.60841 -202.52113 11.08728 3.02017 -202.34606 1034.27169
2315.0000 -214.90543 -202.29299 12.61244 3.01133 -202.52226 1047.99197
2320.0000 -216.14985 -204.72182 11.42803 2.98276 -203.09179 986.07042
2325.0000 -216.52206 -205.15139 11.37066 2.88506 -205.03936 937.61009
2330.0000 -214.73206 -202.45506 12.27700 2.99854 -202.77726 1027.35976
2335.0000 -213.39897 -202.26854 11.13044 3.04815 -201.78836 1037.88294
2340.0000 -217.02367 -205.49214 11.53154 2.93551 -204.03369 1001.42642
2345.0000 -215.18295 -204.18312 10.99983 2.87782 -205.18378 956.80752
2350.0000 -215.81398 -205.54978 10.26420 2.87411 -205.25758 922.54826
2355.0000 -216.15529 -204.12234 12.03295 2.83917 -205.95415 942.32953
2360.0000 -217.04166 -204.95132 12.09034 2.83355 -206.06625 932.00173
2365.0000 -218.36526 -206.08322 12.28204 2.84798 -205.77857 935.79078
2370.0000 -217.00362 -205.79600 11.20762 2.86759 -205.38753 955.09602
2375.0000 -217.95809 -207.60593 10.35216 2.81496 -206.43664 932.56870
2380.0000 -215.20633 -205.67897 9.52737 2.77452 -207.24277 877.25032
2385.0000 -214.79776 -204.65157 10.14620 2.91111 -204.52003 961.38012
2390.0000 -216.23417 -204.75712 11.47705 2.90313 -204.67912 972.45177
2395.0000 -215.15475 -204.75373 10.40102 2.88552 -205.03021 964.89016
2400.0000 -214.71534 -205.39505 9.32028 2.88668 -205.00709 961.12663
2405.0000 -216.09753 -203.35859 12.73894 2.89993 -204.74303 965.25373
2410.0000 -215.48963 -203.89107 11.59856 2.92515 -204.24014 976.52705
2415.0000 -213.30644 -202.26967 11.03676 2.99629 -202.82206 995.03024
2420.0000 -215.10697 -204.05016 11.05681 2.95301 -203.68490 997.73582
2425.0000 -218.08229 -206.97045 11.11184 2.86661 -205.40716 963.80880
2430.0000 -215.62900 -205.11098 10.51802 2.80962 -206.54319 926.04503
2435.0000 -215.89972 -205.67327 10.22645 2.85995 -205.53993 938.57548
2440.0000 -215.78692 -204.82003 10.96689 2.84228 -205.89220 922.52890
2445.0000 -215.50035 -204.34115 11.15920 2.92863 -204.17082 990.75522
2450.0000 -213.10307 -202.63208 10.47100 2.97770 -203.19259 1012.21131
2455.0000 -215.90226 -205.97260 9.92966 2.92551 -204.23295 968.16880
2460.0000 -216.70253 -204.82490 11.87763 2.88778 -204.98522 962.05307
2465.0000 -214.46032 -204.04420 10.41612 2.87904 -205.15927 956.42261
2470.0000 -213.80200 -202.50437 11.29764 3.00041 -202.73995 1005.14008
2475.0000 -214.55849 -201.57064 12.98785 3.03655 -202.01952 1037.92402
2480.0000 -217.29592 -205.07837 12.21755 3.00317 -202.68496 1008.66252
2485.0000 -217.38018 -206.47522 10.90496 2.86010 -205.53691 920.99043
2490.0000 -217.06042 -205.38543 11.67499 2.87279 -205.28388 957.52735
2495.0000 -217.54859 -205.30736 12.24123 2.85442 -205.65018 949.17229
2500.0000 -216.11716 -206.77531 9.34186 2.83317 -206.07366 893.56613
FREEZING PROCESS: loop number 11 T-loop= 954.00000000000000
main_MD> interactions number 11 at Temperature= 954.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26651 -1.19132 -2.87860
force_rgl> df(natom) 1.27906 -1.74075 0.59129
2505.0000 -217.67766 -206.78344 10.89421 2.83089 -206.11910 928.38150
2510.0000 -217.17660 -206.92929 10.24731 2.84852 -205.76777 910.94382
2515.0000 -215.26598 -205.62450 9.64148 2.79669 -206.80096 897.50582
2520.0000 -215.05894 -203.45409 11.60486 2.94015 -203.94126 992.01350
2525.0000 -214.87704 -204.51327 10.36377 2.90799 -204.58228 961.69985
2530.0000 -216.81337 -205.02879 11.78458 2.84801 -205.77783 949.18807
2535.0000 -214.55445 -204.38289 10.17156 2.96461 -203.45367 1004.60903
2540.0000 -216.84724 -206.52834 10.31890 2.91265 -204.48930 982.77165
2545.0000 -215.70623 -204.85728 10.84895 2.87263 -205.28720 964.91889
2550.0000 -218.26484 -208.33063 9.93422 2.79367 -206.86115 912.26993
2555.0000 -219.58031 -211.17133 8.40898 2.62658 -210.19196 807.43158
2560.0000 -217.76149 -207.19982 10.56167 2.66587 -209.40868 819.04680
2565.0000 -217.61613 -208.27151 9.34462 2.75329 -207.66614 878.98444
2570.0000 -216.38951 -206.18979 10.19972 2.78423 -207.04927 875.34010
2575.0000 -218.00004 -207.93842 10.06162 2.77646 -207.20413 879.40013
2580.0000 -214.98955 -203.65040 11.33915 2.86295 -205.48008 934.28166
2585.0000 -216.58732 -205.71948 10.86785 2.93660 -204.01190 980.33336
2590.0000 -217.10822 -205.05842 12.04980 2.88916 -204.95763 950.04248
2595.0000 -215.35682 -205.61993 9.73688 2.85156 -205.70723 917.57734
2600.0000 -216.26248 -206.27527 9.98721 2.83326 -206.07184 922.85491
2605.0000 -217.34701 -206.54490 10.80211 2.81922 -206.35178 918.53270
2610.0000 -215.63573 -204.32175 11.31397 2.87002 -205.33918 940.69282
2615.0000 -216.36777 -204.55403 11.81374 2.92318 -204.27940 986.53666
2620.0000 -217.29666 -207.20719 10.08947 2.89874 -204.76658 961.53358
2625.0000 -217.39579 -206.46003 10.93576 2.82673 -206.20210 931.10581
2630.0000 -214.71947 -203.21054 11.50893 2.94177 -203.90894 976.77924
2635.0000 -216.34372 -204.54309 11.80063 2.90205 -204.70071 975.20556
2640.0000 -214.82213 -204.32341 10.49872 2.93528 -204.03822 987.29864
2645.0000 -213.63095 -201.92649 11.70446 2.95967 -203.55212 988.21851
2650.0000 -214.80249 -203.69584 11.10665 3.05044 -201.74272 1063.05972
2655.0000 -215.70296 -203.46989 12.23307 2.92349 -204.27330 987.74857
2660.0000 -214.33168 -202.63881 11.69287 2.98061 -203.13473 1011.10220
2665.0000 -214.56852 -204.80611 9.76241 2.94528 -203.83901 974.19268
2670.0000 -217.01024 -206.90285 10.10739 2.88053 -205.12964 931.20584
2675.0000 -216.71953 -205.93332 10.78622 2.78768 -206.98060 894.89651
2680.0000 -216.06956 -205.56014 10.50942 2.79828 -206.76926 894.84665
2685.0000 -218.26903 -206.48806 11.78096 2.82880 -206.16087 938.09191
2690.0000 -217.29572 -206.24027 11.05545 2.81046 -206.52641 915.64050
2695.0000 -217.18847 -208.15851 9.02996 2.78744 -206.98541 870.50323
2700.0000 -219.67313 -208.62900 11.04413 2.71484 -208.43244 853.50823
2705.0000 -216.19752 -205.22541 10.97211 2.79748 -206.78514 923.01777
2710.0000 -216.54337 -205.14177 11.40161 2.83071 -206.12268 938.06226
2715.0000 -218.09404 -207.79535 10.29869 2.78664 -207.00126 909.99109
2720.0000 -218.29702 -208.83750 9.45952 2.71629 -208.40364 831.47295
2725.0000 -215.17820 -205.15709 10.02111 2.81663 -206.40340 915.10434
2730.0000 -216.51036 -205.42739 11.08297 2.82948 -206.14725 933.97459
2735.0000 -215.44251 -205.31457 10.12794 2.83366 -206.06401 914.36937
2740.0000 -214.48304 -202.71800 11.76504 2.95334 -203.67820 1007.75874
2745.0000 -215.55911 -205.46860 10.09051 2.94884 -203.76788 984.36486
2750.0000 -212.35991 -202.62439 9.73553 2.90272 -204.68732 946.67112
FREEZING PROCESS: loop number 12 T-loop= 929.00000000000000
main_MD> interactions number 12 at Temperature= 929.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.68425 0.12026 -4.68157
force_rgl> df(natom) -0.94122 -0.47448 0.05366
2755.0000 -213.59213 -203.50242 10.08971 2.99444 -202.85907 1015.01458
2760.0000 -214.86138 -204.67956 10.18181 2.91091 -204.52401 966.00156
2765.0000 -215.97780 -207.07657 8.90123 2.82790 -206.17873 904.93010
2770.0000 -217.50180 -207.70953 9.79227 2.70274 -208.67371 828.71173
2775.0000 -216.15716 -205.02487 11.13228 2.77935 -207.14665 892.97601
2780.0000 -216.39527 -205.91931 10.47596 2.86425 -205.45415 942.47240
2785.0000 -214.90984 -203.41039 11.49945 2.93555 -204.03281 979.16544
2790.0000 -216.85957 -206.38035 10.47922 2.92774 -204.18855 971.43885
2795.0000 -216.45701 -206.29117 10.16584 2.77645 -207.20435 871.06303
2800.0000 -216.40126 -206.76301 9.63824 2.80078 -206.71948 899.77764
2805.0000 -217.20564 -207.19640 10.00925 2.79563 -206.82196 908.67726
2810.0000 -216.33374 -207.61966 8.71408 2.74900 -207.75167 859.18611
2815.0000 -217.37122 -208.21540 9.15582 2.72487 -208.23252 840.28482
2820.0000 -217.72437 -208.82353 8.90084 2.70536 -208.62144 842.50916
2825.0000 -217.87570 -209.17600 8.69971 2.66856 -209.35512 804.10694
2830.0000 -217.59498 -208.54895 9.04603 2.70777 -208.57338 822.68191
2835.0000 -220.20241 -210.07053 10.13188 2.67631 -209.20062 811.00803
2840.0000 -217.39335 -206.70394 10.68940 2.77207 -207.29162 873.96180
2845.0000 -217.00068 -207.31187 9.68882 2.80860 -206.56359 902.22648
2850.0000 -215.58031 -206.07567 9.50463 2.80369 -206.66129 936.15818
2855.0000 -216.53825 -203.58393 12.95433 2.88688 -205.00300 972.28297
2860.0000 -216.12840 -205.20602 10.92238 2.91508 -204.44085 985.64181
2865.0000 -216.79706 -204.39966 12.39739 2.90815 -204.57903 948.66103
2870.0000 -216.89084 -206.39959 10.49125 2.88082 -205.12391 923.69621
2875.0000 -215.12937 -204.70886 10.42051 2.91053 -204.53160 950.38098
2880.0000 -217.10909 -205.38849 11.72060 2.86191 -205.50079 926.12209
2885.0000 -215.66593 -205.56187 10.10406 2.86336 -205.47200 950.46758
2890.0000 -217.00594 -204.45359 12.55235 2.91409 -204.46077 983.20741
2895.0000 -216.20322 -205.00788 11.19534 2.88784 -204.98394 971.04911
2900.0000 -218.16764 -206.96396 11.20368 2.83616 -206.01417 910.05097
2905.0000 -218.37917 -206.45020 11.92896 2.76607 -207.41129 883.97244
2910.0000 -215.96371 -205.45459 10.50913 2.83267 -206.08375 924.14965
2915.0000 -214.84415 -204.09359 10.75056 2.86024 -205.53419 965.81509
2920.0000 -216.08479 -204.82315 11.26164 2.92590 -204.22526 995.71402
2925.0000 -216.46707 -207.91459 8.55248 2.80286 -206.67786 914.74542
2930.0000 -218.16447 -206.63159 11.53288 2.80149 -206.70517 924.02283
2935.0000 -215.66178 -205.91469 9.74709 2.82490 -206.23856 931.70622
2940.0000 -216.03521 -205.20989 10.82532 2.88478 -205.04498 967.11043
2945.0000 -216.14237 -203.77259 12.36977 2.92578 -204.22762 1002.43090
2950.0000 -215.27885 -205.25306 10.02580 2.94620 -203.82057 994.29888
2955.0000 -216.08179 -205.23031 10.85148 2.82831 -206.17067 906.70358
2960.0000 -216.90583 -204.59105 12.31478 2.83472 -206.04283 907.19762
2965.0000 -216.79411 -204.88214 11.91197 2.90882 -204.56571 964.64254
2970.0000 -217.32114 -206.09204 11.22910 2.85306 -205.67729 934.25538
2975.0000 -216.87825 -206.20349 10.67476 2.81348 -206.46624 929.54624
2980.0000 -217.74601 -206.33839 11.40762 2.76882 -207.35644 892.23911
2985.0000 -215.26838 -204.14909 11.11929 2.86077 -205.52360 944.17113
2990.0000 -216.99863 -206.01976 10.97887 2.86350 -205.46917 941.74702
2995.0000 -220.13168 -210.23507 9.89661 2.72506 -208.22876 864.03211
3000.0000 -218.68041 -208.81984 9.86057 2.64857 -209.75357 829.13557
FREEZING PROCESS: loop number 13 T-loop= 904.00000000000000
main_MD> interactions number 13 at Temperature= 904.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.50373 1.35199 1.15097
force_rgl> df(natom) 5.69419 1.57473 -4.50911
3005.0000 -217.93620 -208.47074 9.46547 2.71963 -208.33699 846.84865
3010.0000 -217.68346 -206.78533 10.89813 2.79335 -206.86743 874.98576
3015.0000 -217.98267 -206.76785 11.21481 2.80789 -206.57763 891.91726
3020.0000 -217.48999 -208.54651 8.94348 2.76050 -207.52232 873.24464
3025.0000 -217.72200 -207.07817 10.64382 2.79003 -206.93361 886.92306
3030.0000 -215.75727 -204.48068 11.27660 2.86385 -205.46212 931.34532
3035.0000 -214.29844 -203.45458 10.84386 2.97576 -203.23128 1028.04371
3040.0000 -215.55772 -204.71706 10.84066 2.88559 -205.02881 930.65239
3045.0000 -215.74507 -205.23298 10.51209 2.95309 -203.68329 976.14456
3050.0000 -216.47859 -206.11648 10.36211 2.86745 -205.39039 932.61628
3055.0000 -215.90006 -205.81465 10.08542 2.86716 -205.39627 926.06029
3060.0000 -217.39665 -208.82184 8.57481 2.73853 -207.96035 867.27731
3065.0000 -217.12409 -206.06636 11.05773 2.77126 -207.30778 888.54001
3070.0000 -215.85230 -204.38582 11.46649 2.88248 -205.09074 972.55359
3075.0000 -214.32337 -202.61713 11.70625 2.94022 -203.93976 986.02277
3080.0000 -217.30488 -206.62598 10.67890 2.88411 -205.05834 956.85989
3085.0000 -219.25320 -209.38204 9.87116 2.77314 -207.27034 883.30652
3090.0000 -218.94399 -208.26669 10.67730 2.72831 -208.16392 863.92316
3095.0000 -218.77737 -207.97677 10.80060 2.71755 -208.37853 863.10823
3100.0000 -218.92081 -209.12134 9.79947 2.75224 -207.68697 872.88307
3105.0000 -217.58072 -207.88166 9.69906 2.74668 -207.79785 878.89172
3110.0000 -216.00128 -206.05021 9.95107 2.76272 -207.47815 886.99764
3115.0000 -217.73761 -206.26892 11.46869 2.82466 -206.24341 913.36309
3120.0000 -216.85459 -205.64296 11.21163 2.82024 -206.33143 942.04345
3125.0000 -218.70704 -207.93482 10.77222 2.79857 -206.76350 914.41467
3130.0000 -216.07897 -206.29420 9.78476 2.76954 -207.34207 887.98195
3135.0000 -215.10207 -203.81314 11.28893 2.88857 -204.96946 938.90534
3140.0000 -218.03194 -208.08237 9.94958 2.82988 -206.13933 915.76777
3145.0000 -216.72975 -207.62146 9.10829 2.77945 -207.14466 895.83794
3150.0000 -217.38883 -208.21551 9.17332 2.72331 -208.26375 826.46873
3155.0000 -219.67514 -210.30807 9.36707 2.66431 -209.43985 799.80944
3160.0000 -217.05963 -208.00691 9.05272 2.67293 -209.26799 818.09380
3165.0000 -216.19973 -206.65321 9.54652 2.78985 -206.93724 891.06505
3170.0000 -216.47933 -204.67830 11.80103 2.88772 -204.98630 947.88712
3175.0000 -217.10219 -207.58969 9.51250 2.83682 -206.00107 931.13362
3180.0000 -217.81383 -207.60425 10.20958 2.73039 -208.12261 843.63632
3185.0000 -217.07695 -206.23169 10.84527 2.84610 -205.81596 912.67342
3190.0000 -218.22295 -207.21806 11.00489 2.80217 -206.69171 902.39973
3195.0000 -216.79279 -207.27168 9.52111 2.78374 -207.05902 918.43463
3200.0000 -216.41762 -205.91739 10.50024 2.78704 -206.99330 912.11454
3205.0000 -218.44273 -205.33253 13.11019 2.79565 -206.82170 878.21839
3210.0000 -216.11713 -205.88408 10.23305 2.88366 -205.06724 943.61794
3215.0000 -215.28437 -204.95848 10.32589 2.88874 -204.96604 942.75468
3220.0000 -213.35531 -202.70647 10.64884 2.95086 -203.72763 995.99078
3225.0000 -215.46538 -203.84140 11.62398 2.92795 -204.18431 959.65955
3230.0000 -216.95683 -204.52716 12.42967 2.96043 -203.53691 999.81731
3235.0000 -217.85878 -205.49612 12.36266 2.85322 -205.67411 970.64358
3240.0000 -216.82484 -207.11922 9.70562 2.86181 -205.50281 958.18321
3245.0000 -219.15721 -208.56994 10.58727 2.73518 -208.02714 873.17121
3250.0000 -218.06953 -205.73843 12.33110 2.78510 -207.03188 907.25015
FREEZING PROCESS: loop number 14 T-loop= 879.00000000000000
main_MD> interactions number 14 at Temperature= 879.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72036 0.84382 4.07075
force_rgl> df(natom) 0.02169 -0.92355 -2.33630
3255.0000 -217.65470 -207.29480 10.35991 2.84746 -205.78889 933.86946
3260.0000 -218.11635 -208.32302 9.79332 2.71374 -208.45438 830.06109
3265.0000 -217.64794 -207.21361 10.43433 2.75515 -207.62905 883.52154
3270.0000 -217.01433 -207.28244 9.73189 2.77487 -207.23595 891.59727
3275.0000 -216.46570 -207.09041 9.37529 2.76801 -207.37268 880.91417
3280.0000 -215.72455 -205.98744 9.73712 2.80700 -206.59541 885.09955
3285.0000 -219.51819 -210.72697 8.79122 2.71949 -208.33990 869.38383
3290.0000 -217.61825 -209.85692 7.76133 2.65356 -209.65414 793.03923
3295.0000 -220.02110 -209.99414 10.02696 2.66197 -209.48640 826.04206
3300.0000 -217.57440 -207.09786 10.47654 2.72327 -208.26451 885.70924
3305.0000 -218.75660 -208.31164 10.44496 2.75216 -207.68848 881.73102
3310.0000 -217.19202 -206.88834 10.30369 2.76980 -207.33700 876.52316
3315.0000 -216.62958 -206.55927 10.07031 2.79329 -206.86875 905.69246
3320.0000 -218.78092 -207.02278 11.75814 2.80335 -206.66814 891.42587
3325.0000 -217.32755 -207.39790 9.92965 2.74790 -207.77344 869.40860
3330.0000 -216.14736 -205.37349 10.77387 2.82604 -206.21581 905.49988
3335.0000 -217.19939 -208.07618 9.12321 2.78483 -207.03725 894.89341
3340.0000 -217.18922 -206.23614 10.95308 2.75024 -207.72687 847.27055
3345.0000 -216.84887 -207.22695 9.62193 2.76386 -207.45545 877.47668
3350.0000 -218.94757 -207.49526 11.45230 2.77932 -207.14721 882.59428
3355.0000 -218.74437 -209.34991 9.39446 2.71417 -208.44584 839.17023
3360.0000 -217.82561 -207.60234 10.22327 2.76382 -207.45624 896.85010
3365.0000 -215.75520 -205.42403 10.33117 2.81039 -206.52784 909.18406
3370.0000 -217.46201 -206.83349 10.62852 2.81207 -206.49440 897.25094
3375.0000 -218.23462 -209.49383 8.74078 2.73498 -208.03110 863.79053
3380.0000 -219.76855 -209.26308 10.50547 2.70586 -208.61144 851.63445
3385.0000 -217.70870 -207.94037 9.76833 2.72625 -208.20509 849.10329
3390.0000 -216.33454 -205.72702 10.60753 2.78972 -206.93979 881.49387
3395.0000 -218.24369 -207.19033 11.05336 2.79860 -206.76284 888.24786
3400.0000 -218.00043 -208.14207 9.85836 2.80939 -206.54775 908.80824
3405.0000 -219.68781 -210.05282 9.63499 2.65678 -209.58984 806.74113
3410.0000 -217.77197 -209.95636 7.81561 2.60719 -210.57839 785.37876
3415.0000 -216.00976 -205.87159 10.13818 2.72765 -208.17719 855.55376
3420.0000 -215.26622 -204.65586 10.61037 2.88914 -204.95797 944.01705
3425.0000 -218.72822 -208.00019 10.72804 2.78547 -207.02459 869.52337
3430.0000 -217.95405 -208.45520 9.49885 2.71390 -208.45128 834.74015
3435.0000 -218.46760 -208.17898 10.28862 2.70085 -208.71148 833.95110
3440.0000 -218.72935 -208.62141 10.10794 2.71415 -208.44630 861.21454
3445.0000 -216.79383 -207.16089 9.63294 2.76339 -207.46467 881.94001
3450.0000 -218.93752 -208.18041 10.75711 2.78381 -207.05759 893.67628
3455.0000 -218.27186 -208.96793 9.30393 2.67385 -209.24970 811.53323
3460.0000 -216.41472 -206.93066 9.48406 2.73753 -207.98026 859.50171
3465.0000 -215.22779 -205.34934 9.87845 2.76972 -207.33853 883.30921
3470.0000 -217.17408 -206.33760 10.83648 2.88336 -205.07320 929.81927
3475.0000 -217.05860 -206.02818 11.03042 2.87158 -205.30801 937.86814
3480.0000 -216.80994 -206.78463 10.02531 2.79611 -206.81243 897.24112
3485.0000 -217.89282 -208.79285 9.09998 2.75109 -207.70991 867.59662
3490.0000 -217.80783 -205.91332 11.89451 2.77128 -207.30752 870.84763
3495.0000 -216.19366 -207.62459 8.56907 2.76402 -207.45220 884.88716
3500.0000 -218.82992 -208.22251 10.60741 2.74266 -207.87798 855.72036
FREEZING PROCESS: loop number 15 T-loop= 854.00000000000000
main_MD> interactions number 15 at Temperature= 854.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.66941 -0.77147 -0.98991
force_rgl> df(natom) 1.91076 -1.40595 2.76830
3505.0000 -219.70732 -210.86241 8.84491 2.65086 -209.70793 826.34297
3510.0000 -219.19076 -209.18069 10.01007 2.65093 -209.70657 819.02711
3515.0000 -219.63240 -210.17129 9.46111 2.65122 -209.70080 809.39731
3520.0000 -218.47506 -208.50550 9.96956 2.63216 -210.08067 798.12569
3525.0000 -217.16646 -208.80904 8.35742 2.72132 -208.30328 850.85676
3530.0000 -219.47334 -208.62209 10.85124 2.67016 -209.32323 809.49434
3535.0000 -220.29060 -209.09230 11.19829 2.66932 -209.34000 825.75934
3540.0000 -217.93594 -209.78851 8.14743 2.65967 -209.53223 825.99447
3545.0000 -217.89761 -207.33648 10.56113 2.74076 -207.91576 865.46813
3550.0000 -218.75398 -209.14968 9.60430 2.72273 -208.27522 847.46485
3555.0000 -218.72653 -209.30785 9.41868 2.66040 -209.51781 794.67886
3560.0000 -218.22818 -208.64698 9.58120 2.66995 -209.32737 814.76764
3565.0000 -218.10480 -208.14555 9.95925 2.73955 -207.93993 852.93637
3570.0000 -217.48564 -209.37274 8.11290 2.74537 -207.82396 868.91192
3575.0000 -217.81150 -207.11923 10.69227 2.68232 -209.08075 821.53713
3580.0000 -218.70432 -206.43738 12.26693 2.77145 -207.30412 902.72091
3585.0000 -217.96880 -208.20232 9.76648 2.75972 -207.53792 890.79289
3590.0000 -215.45274 -205.84167 9.61107 2.77262 -207.28071 876.94443
3595.0000 -218.47325 -206.12587 12.34737 2.82121 -206.31212 917.04442
3600.0000 -217.80834 -207.38968 10.41866 2.79132 -206.90806 896.76344
3605.0000 -218.62730 -208.84296 9.78434 2.67429 -209.24078 823.95831
3610.0000 -217.92260 -208.50417 9.41843 2.70342 -208.66023 845.80523
3615.0000 -219.01963 -207.69114 11.32849 2.67770 -209.17280 815.09762
3620.0000 -217.89400 -207.83491 10.05909 2.78202 -207.09334 880.30117
3625.0000 -219.71273 -209.92552 9.78722 2.70457 -208.63732 841.63040
3630.0000 -219.94928 -209.92476 10.02452 2.62781 -210.16729 797.27965
3635.0000 -217.81661 -208.72146 9.09516 2.71367 -208.45589 849.62193
3640.0000 -218.90543 -209.23070 9.67473 2.66326 -209.46069 837.18000
3645.0000 -217.36717 -208.58235 8.78481 2.65631 -209.59930 819.13986
3650.0000 -219.44162 -208.26920 11.17242 2.71407 -208.44786 856.04761
3655.0000 -217.92510 -207.86678 10.05831 2.72972 -208.13591 843.77547
3660.0000 -218.83203 -209.23660 9.59543 2.70266 -208.67529 816.93464
3665.0000 -217.32472 -208.09257 9.23215 2.64434 -209.83786 801.54328
3670.0000 -218.30620 -207.92962 10.37658 2.74585 -207.81433 852.45058
3675.0000 -218.03584 -209.44592 8.58992 2.71663 -208.39675 863.74678
3680.0000 -219.34491 -208.89663 10.44828 2.67488 -209.22909 830.96624
3685.0000 -218.26497 -208.73888 9.52608 2.73729 -207.98490 878.65650
3690.0000 -218.36946 -208.69741 9.67204 2.66605 -209.40503 808.94891
3695.0000 -220.29435 -210.08648 10.20787 2.69573 -208.81345 845.18445
3700.0000 -221.43627 -212.52082 8.91545 2.56284 -211.46255 754.41998
3705.0000 -216.90061 -208.51005 8.39056 2.61885 -210.34589 793.94821
3710.0000 -218.73774 -209.27849 9.45926 2.63972 -209.93003 826.45657
3715.0000 -218.69095 -208.35841 10.33254 2.70423 -208.64402 842.83706
3720.0000 -218.80727 -209.11724 9.69003 2.69297 -208.86857 823.66674
3725.0000 -216.80434 -207.21633 9.58802 2.71646 -208.40026 860.82365
3730.0000 -218.83414 -209.67766 9.15648 2.71329 -208.46347 842.03294
3735.0000 -219.10365 -207.90466 11.19899 2.69737 -208.78068 836.03138
3740.0000 -219.37826 -209.09390 10.28435 2.72216 -208.28653 849.89422
3745.0000 -219.52597 -209.89986 9.62611 2.63420 -210.04004 782.49308
3750.0000 -218.05912 -208.64424 9.41488 2.64874 -209.75024 809.98875
FREEZING PROCESS: loop number 16 T-loop= 829.00000000000000
main_MD> interactions number 16 at Temperature= 829.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88010 -3.07981 -0.86866
force_rgl> df(natom) 0.32538 2.12636 1.30305
3755.0000 -218.70191 -209.07934 9.62257 2.62288 -210.26563 791.38162
3760.0000 -218.89142 -210.74765 8.14378 2.62103 -210.30251 806.75819
3765.0000 -218.91093 -210.51170 8.39924 2.65175 -209.69008 802.30725
3770.0000 -218.33920 -210.21571 8.12349 2.57831 -211.15413 747.36192
3775.0000 -217.37116 -208.29241 9.07875 2.67027 -209.32089 839.22788
3780.0000 -218.88064 -210.49725 8.38339 2.63593 -210.00559 785.64017
3785.0000 -220.68540 -211.16595 9.51945 2.55749 -211.56920 744.02255
3790.0000 -220.05882 -211.94928 8.10954 2.60311 -210.65982 753.05993
3795.0000 -220.00425 -211.15587 8.84838 2.53585 -212.00057 717.80160
3800.0000 -217.84491 -209.51398 8.33093 2.62400 -210.24338 794.75187
3805.0000 -218.94310 -208.79004 10.15306 2.70195 -208.68942 826.98450
3810.0000 -219.09843 -209.33652 9.76192 2.68945 -208.93855 847.31056
3815.0000 -218.16575 -208.67321 9.49254 2.68790 -208.96958 859.53557
3820.0000 -217.33485 -207.61070 9.72415 2.72682 -208.19367 845.89287
3825.0000 -218.17694 -210.07003 8.10691 2.65924 -209.54083 797.55476
3830.0000 -218.40875 -209.05448 9.35427 2.61520 -210.41872 767.50605
3835.0000 -218.21248 -208.58869 9.62379 2.67032 -209.31990 834.60376
3840.0000 -218.34823 -207.28334 11.06489 2.75190 -207.69378 869.67404
3845.0000 -218.96097 -209.08675 9.87422 2.72321 -208.26576 858.76456
3850.0000 -218.64946 -208.02534 10.62412 2.72254 -208.27901 838.75036
3855.0000 -219.81647 -209.46951 10.34696 2.69154 -208.89690 799.74410
3860.0000 -218.59244 -209.28715 9.30528 2.67528 -209.22107 812.24420
3865.0000 -219.20172 -209.65447 9.54725 2.65710 -209.58358 822.74928
3870.0000 -219.71100 -209.26204 10.44895 2.68100 -209.10702 809.78487
3875.0000 -219.49452 -209.85645 9.63808 2.66680 -209.39024 820.38974
3880.0000 -218.81175 -209.02881 9.78294 2.66502 -209.42557 833.06183
3885.0000 -219.87892 -210.91413 8.96479 2.60349 -210.65220 779.02832
3890.0000 -219.74076 -210.78743 8.95333 2.56715 -211.37666 763.20484
3895.0000 -219.31171 -209.32673 9.98498 2.61998 -210.32338 799.94910
3900.0000 -219.71803 -210.91820 8.79984 2.64819 -209.76121 825.53989
3905.0000 -219.70926 -210.86846 8.84080 2.56867 -211.34632 765.57507
3910.0000 -217.55195 -208.26852 9.28343 2.66954 -209.33555 832.14615
3915.0000 -218.30556 -208.83053 9.47503 2.73300 -208.07048 861.49330
3920.0000 -217.68811 -207.32553 10.36257 2.69269 -208.87398 833.81785
3925.0000 -218.60921 -207.54714 11.06207 2.72846 -208.16101 871.37243
3930.0000 -218.34041 -208.59109 9.74932 2.73137 -208.10293 875.48109
3935.0000 -220.81347 -210.29489 10.51858 2.62179 -210.28745 798.20931
3940.0000 -218.77057 -211.28952 7.48105 2.61668 -210.38927 798.35543
3945.0000 -216.53258 -206.96464 9.56793 2.67807 -209.16550 827.73784
3950.0000 -219.97786 -210.53253 9.44533 2.67771 -209.17262 825.36778
3955.0000 -218.06036 -208.76814 9.29223 2.65849 -209.55570 818.24671
3960.0000 -220.20402 -211.23068 8.97334 2.69369 -208.85411 830.88040
3965.0000 -219.68818 -209.51471 10.17347 2.63713 -209.98167 792.79241
3970.0000 -219.18200 -208.99272 10.18928 2.68594 -209.00856 853.04084
3975.0000 -218.95219 -209.84014 9.11205 2.64196 -209.88526 801.46510
3980.0000 -218.58445 -207.92902 10.65543 2.70055 -208.71733 831.64039
3985.0000 -218.92276 -208.74169 10.18108 2.69528 -208.82236 854.58254
3990.0000 -216.93342 -207.60480 9.32862 2.73802 -207.97043 856.02255
3995.0000 -219.54308 -209.84079 9.70229 2.66457 -209.43461 805.85832
4000.0000 -218.49102 -209.53300 8.95802 2.63908 -209.94281 793.53788
FREEZING PROCESS: loop number 17 T-loop= 804.00000000000000
main_MD> interactions number 17 at Temperature= 804.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.50107 -0.18841 -0.94369
force_rgl> df(natom) 3.12893 2.77594 -0.18458
4005.0000 -218.41328 -209.14554 9.26775 2.63950 -209.93426 779.70498
4010.0000 -217.48471 -207.97578 9.50893 2.74493 -207.83263 882.80386
4015.0000 -217.59106 -207.37446 10.21660 2.74583 -207.81468 869.53023
4020.0000 -217.01668 -207.88907 9.12761 2.74980 -207.73556 853.41159
4025.0000 -217.71850 -206.98330 10.73520 2.76201 -207.49217 872.07000
4030.0000 -219.31268 -210.59567 8.71702 2.70641 -208.60052 850.84495
4035.0000 -218.94514 -209.99819 8.94695 2.61939 -210.33513 783.28165
4040.0000 -219.73735 -209.94522 9.79213 2.64546 -209.81561 801.56111
4045.0000 -219.91387 -211.42189 8.49198 2.58915 -210.93803 778.50002
4050.0000 -220.69904 -211.79872 8.90032 2.53759 -211.96575 759.44250
4055.0000 -218.42969 -210.88509 7.54459 2.55936 -211.53180 764.27859
4060.0000 -218.72574 -208.99843 9.72731 2.61953 -210.33244 775.23704
4065.0000 -218.51085 -211.59859 6.91226 2.65272 -209.67081 795.69313
4070.0000 -220.09067 -210.20683 9.88384 2.57593 -211.20152 743.26989
4075.0000 -218.52443 -208.76697 9.75746 2.65583 -209.60888 803.36423
4080.0000 -216.81195 -207.74907 9.06288 2.76154 -207.50155 892.06245
4085.0000 -219.40974 -209.65112 9.75862 2.68530 -209.02137 840.93475
4090.0000 -217.75238 -207.07163 10.68075 2.68272 -209.07281 837.65157
4095.0000 -219.25498 -209.99556 9.25942 2.68641 -208.99933 834.78057
4100.0000 -219.88876 -211.45025 8.43850 2.57913 -211.13782 773.61051
4105.0000 -218.48554 -211.40786 7.07768 2.54191 -211.87976 744.45471
4110.0000 -219.94213 -212.20325 7.73889 2.60475 -210.62704 779.27465
4115.0000 -220.35878 -210.94699 9.41179 2.57628 -211.19448 754.88835
4120.0000 -219.84734 -210.03332 9.81402 2.61590 -210.40488 760.67934
4125.0000 -218.98395 -210.38990 8.59405 2.66635 -209.39910 831.48900
4130.0000 -219.75696 -211.40630 8.35066 2.55750 -211.56896 755.74379
4135.0000 -218.92936 -209.44645 9.48291 2.58064 -211.10760 754.70356
4140.0000 -218.55719 -208.42416 10.13304 2.68900 -208.94762 836.75280
4145.0000 -218.27112 -208.76968 9.50143 2.67404 -209.24582 819.12654
4150.0000 -218.44706 -209.75180 8.69527 2.70334 -208.66177 828.38263
4155.0000 -217.26453 -207.02206 10.24247 2.67238 -209.27882 831.14771
4160.0000 -220.65104 -211.69396 8.95708 2.68802 -208.96715 828.87805
4165.0000 -220.26046 -212.18536 8.07510 2.53648 -211.98788 743.85430
4170.0000 -219.07198 -210.74711 8.32487 2.53967 -211.92436 754.54446
4175.0000 -221.65839 -211.91805 9.74034 2.54604 -211.79732 754.88490
4180.0000 -219.06002 -210.54510 8.51492 2.61060 -210.51049 796.86747
4185.0000 -219.38024 -210.79455 8.58569 2.60243 -210.67337 791.51065
4190.0000 -218.16477 -208.64110 9.52367 2.66512 -209.42354 800.61103
4195.0000 -217.47165 -207.35034 10.12130 2.77764 -207.18064 861.29498
4200.0000 -218.19929 -208.60105 9.59823 2.73947 -207.94146 831.22318
4205.0000 -218.89692 -209.67562 9.22130 2.68545 -209.01836 824.70419
4210.0000 -219.15374 -209.54659 9.60715 2.67230 -209.28041 813.96608
4215.0000 -217.65576 -208.09605 9.55971 2.67527 -209.22129 824.22105
4220.0000 -217.80985 -207.85224 9.95761 2.76876 -207.35762 853.97088
4225.0000 -219.60265 -211.04079 8.56186 2.64393 -209.84602 789.26143
4230.0000 -221.04044 -212.47976 8.56067 2.55256 -211.66736 752.04771
4235.0000 -220.48985 -211.38419 9.10566 2.51458 -212.42447 726.92531
4240.0000 -220.19949 -212.02306 8.17644 2.55210 -211.67655 750.06432
4245.0000 -218.87937 -210.50887 8.37050 2.60057 -210.71035 795.31372
4250.0000 -219.95893 -210.15530 9.80362 2.65747 -209.57619 803.68141
FREEZING PROCESS: loop number 18 T-loop= 779.00000000000000
main_MD> interactions number 18 at Temperature= 779.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.80795 -4.05560 1.46144
force_rgl> df(natom) 0.21255 -1.81115 0.95962
4255.0000 -218.62607 -210.55043 8.07564 2.57443 -211.23136 768.02056
4260.0000 -218.53483 -211.48652 7.04831 2.59556 -210.81014 782.50776
4265.0000 -218.59873 -209.40637 9.19236 2.61094 -210.50374 770.30197
4270.0000 -219.75981 -210.00150 9.75831 2.65912 -209.54317 801.81882
4275.0000 -217.19176 -207.99860 9.19316 2.66867 -209.35288 825.10115
4280.0000 -219.45974 -209.67997 9.77977 2.73124 -208.10557 840.94018
4285.0000 -221.23844 -211.29177 9.94668 2.60260 -210.66995 776.49447
4290.0000 -221.34115 -212.16959 9.17155 2.56204 -211.47849 774.60399
4295.0000 -220.67056 -210.70179 9.96877 2.61391 -210.44441 778.79482
4300.0000 -218.41779 -209.72174 8.69605 2.66793 -209.36753 812.96273
4305.0000 -219.98812 -210.74383 9.24430 2.59261 -210.86913 793.41014
4310.0000 -219.08511 -210.11323 8.97188 2.63797 -209.96477 791.75115
4315.0000 -219.56838 -211.33051 8.23786 2.59543 -210.81282 765.10969
4320.0000 -218.82974 -210.06453 8.76521 2.60256 -210.67066 771.07391
4325.0000 -219.83299 -212.80298 7.03000 2.52811 -212.15486 748.95927
4330.0000 -220.13513 -212.75040 7.38473 2.51097 -212.49639 723.55457
4335.0000 -219.23911 -210.71055 8.52856 2.56330 -211.45323 759.45870
4340.0000 -219.17708 -209.35353 9.82355 2.60661 -210.58996 782.22597
4345.0000 -218.23785 -209.38524 8.85262 2.64734 -209.77816 796.21103
4350.0000 -220.01748 -210.73593 9.28156 2.67621 -209.20247 814.79357
4355.0000 -220.20028 -210.43418 9.76610 2.58652 -210.99040 764.21525
4360.0000 -219.45551 -208.51754 10.93797 2.60769 -210.56842 792.87178
4365.0000 -219.73646 -210.56530 9.17116 2.67248 -209.27701 827.84976
4370.0000 -221.38500 -211.32010 10.06490 2.56986 -211.32263 763.82256
4375.0000 -219.27789 -210.76957 8.50831 2.57741 -211.17206 790.35768
4380.0000 -221.71981 -213.24331 8.47650 2.54068 -211.90421 757.68248
4385.0000 -220.28265 -210.82843 9.45421 2.58022 -211.11608 766.02770
4390.0000 -220.22645 -210.98370 9.24275 2.57933 -211.13371 771.59895
4395.0000 -220.29398 -210.43608 9.85790 2.60319 -210.65805 793.47358
4400.0000 -220.45229 -211.69298 8.75931 2.61513 -210.42013 788.45852
4405.0000 -220.17590 -211.33197 8.84393 2.54264 -211.86508 747.42054
4410.0000 -220.48379 -211.51880 8.96499 2.57574 -211.20527 768.91678
4415.0000 -220.13635 -213.17713 6.95922 2.50771 -212.56149 718.68854
4420.0000 -221.72063 -212.61757 9.10307 2.52824 -212.15223 726.73183
4425.0000 -220.82793 -211.87446 8.95346 2.54942 -211.73004 761.98990
4430.0000 -220.01775 -211.71945 8.29831 2.56674 -211.38466 746.26766
4435.0000 -219.57079 -210.70576 8.86503 2.56988 -211.32222 730.48029
4440.0000 -219.14043 -209.89986 9.24057 2.60083 -210.70514 808.80075
4445.0000 -217.71577 -209.76643 7.94934 2.61816 -210.35969 792.62207
4450.0000 -219.41025 -210.20547 9.20477 2.61703 -210.38224 785.47056
4455.0000 -219.99864 -211.29358 8.70506 2.56950 -211.32970 760.89475
4460.0000 -221.02594 -212.58828 8.43766 2.53647 -211.98814 722.03817
4465.0000 -220.00606 -211.28154 8.72452 2.58645 -210.99175 761.43978
4470.0000 -219.64144 -210.12994 9.51150 2.57514 -211.21721 752.00251
4475.0000 -218.04065 -207.81393 10.22671 2.68649 -208.99763 850.45672
4480.0000 -217.89356 -207.63755 10.25600 2.77337 -207.26582 883.79635
4485.0000 -219.14545 -210.31880 8.82665 2.69528 -208.82250 847.51957
4490.0000 -219.84992 -211.14226 8.70767 2.55541 -211.61052 754.03403
4495.0000 -218.74783 -209.84787 8.89996 2.58282 -211.06415 774.05852
4500.0000 -220.20105 -211.35658 8.84448 2.57283 -211.26336 770.61268
FREEZING PROCESS: loop number 19 T-loop= 754.00000000000000
main_MD> interactions number 19 at Temperature= 754.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.58983 2.29961 -1.02168
force_rgl> df(natom) 1.83825 -0.38181 1.96042
4505.0000 -219.23263 -210.66563 8.56701 2.54461 -211.82596 738.71249
4510.0000 -220.38548 -210.77219 9.61329 2.57003 -211.31921 758.93578
4515.0000 -219.74824 -211.27412 8.47413 2.60729 -210.57635 763.61732
4520.0000 -220.00219 -210.69318 9.30901 2.59957 -210.73040 746.45693
4525.0000 -217.79232 -208.01351 9.77881 2.67826 -209.16178 826.13285
4530.0000 -218.45364 -209.61304 8.84061 2.68662 -208.99509 816.08424
4535.0000 -221.52815 -212.89692 8.63123 2.59401 -210.84118 770.32457
4540.0000 -222.72189 -214.98280 7.73909 2.45953 -213.52190 705.05784
4545.0000 -222.64346 -215.58668 7.05677 2.37186 -215.26951 655.22758
4550.0000 -222.32461 -213.86562 8.45899 2.41290 -214.45139 663.18167
4555.0000 -221.11547 -211.41550 9.69998 2.51633 -212.38955 724.28973
4560.0000 -220.00063 -212.07482 7.92582 2.55546 -211.60966 726.99213
4565.0000 -221.48748 -213.19257 8.29490 2.47778 -213.15806 692.00768
4570.0000 -221.50734 -213.34109 8.16624 2.47441 -213.22533 685.75921
4575.0000 -220.85610 -211.54885 9.30725 2.53775 -211.96268 730.19608
4580.0000 -220.84380 -211.71601 9.12779 2.56284 -211.46239 771.90132
4585.0000 -219.41078 -210.47076 8.94002 2.57354 -211.24910 755.67481
4590.0000 -221.21130 -211.98712 9.22418 2.52101 -212.29636 752.00444
4595.0000 -220.91739 -211.91779 8.99960 2.52031 -212.31033 745.21077
4600.0000 -221.17791 -212.23056 8.94735 2.54563 -211.80556 757.98778
4605.0000 -220.91455 -212.41740 8.49715 2.49608 -212.79321 728.96249
4610.0000 -219.25398 -211.01303 8.24095 2.55531 -211.61253 754.63865
4615.0000 -218.37247 -209.04510 9.32737 2.64391 -209.84653 817.71638
4620.0000 -219.75233 -210.56767 9.18465 2.64425 -209.83972 817.25058
4625.0000 -220.36208 -211.14339 9.21869 2.59932 -210.73520 765.51918
4630.0000 -220.28657 -210.70737 9.57920 2.61046 -210.51317 777.12462
4635.0000 -220.76045 -212.15031 8.61014 2.59816 -210.75849 764.70582
4640.0000 -220.98322 -211.65163 9.33159 2.56258 -211.46761 739.20770
4645.0000 -222.17038 -213.62733 8.54305 2.52911 -212.13485 746.87930
4650.0000 -221.47781 -212.26993 9.20788 2.52574 -212.20204 728.25430
4655.0000 -221.89684 -214.04337 7.85347 2.48681 -212.97803 730.71981
4660.0000 -223.60248 -214.08935 9.51313 2.47454 -213.22266 706.37008
4665.0000 -220.33949 -211.73606 8.60343 2.46367 -213.43928 691.42020
4670.0000 -222.15686 -213.93615 8.22071 2.52062 -212.30418 751.38020
4675.0000 -218.87027 -211.19824 7.67203 2.52576 -212.20163 726.11374
4680.0000 -220.04793 -211.39702 8.65091 2.58134 -211.09362 742.56154
4685.0000 -220.30325 -210.97556 9.32769 2.55557 -211.60737 730.81772
4690.0000 -219.41526 -210.86089 8.55437 2.58810 -210.95898 766.71603
4695.0000 -220.41875 -212.87079 7.54796 2.55995 -211.52000 748.12578
4700.0000 -219.77747 -212.46632 7.31116 2.52465 -212.22374 715.95566
4705.0000 -220.24123 -211.86727 8.37396 2.50836 -212.54840 712.06147
4710.0000 -220.68547 -212.20862 8.47685 2.51611 -212.39396 734.22727
4715.0000 -220.52122 -211.24301 9.27821 2.58726 -210.97573 773.15162
4720.0000 -220.68717 -212.73562 7.95154 2.54582 -211.80178 748.70436
4725.0000 -220.36794 -213.02225 7.34569 2.53060 -212.10516 737.71420
4730.0000 -219.56182 -211.16644 8.39538 2.50196 -212.67614 721.07306
4735.0000 -218.46706 -209.67342 8.79364 2.64314 -209.86180 816.07329
4740.0000 -219.27209 -210.20495 9.06714 2.60064 -210.70900 760.82079
4745.0000 -221.62903 -214.34011 7.28892 2.53052 -212.10672 742.17446
4750.0000 -220.08280 -211.86151 8.22129 2.43939 -213.92334 674.73116
FREEZING PROCESS: loop number 20 T-loop= 729.00000000000000
main_MD> interactions number 20 at Temperature= 729.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.44084 0.41742 3.80406
force_rgl> df(natom) -1.73274 -0.22631 1.69286
4755.0000 -219.59264 -210.68656 8.90608 2.53736 -211.97032 741.52725
4760.0000 -219.55161 -210.83394 8.71766 2.59773 -210.76707 776.64952
4765.0000 -221.08577 -212.36037 8.72541 2.56114 -211.49634 747.18796
4770.0000 -221.31413 -213.15163 8.16251 2.49800 -212.75492 715.46851
4775.0000 -219.81544 -211.84826 7.96718 2.49484 -212.81806 716.14718
4780.0000 -219.11182 -210.84814 8.26368 2.55298 -211.65913 745.12553
4785.0000 -220.20897 -211.66475 8.54422 2.56824 -211.35476 749.80286
4790.0000 -221.91831 -213.32955 8.58876 2.52098 -212.29695 721.61031
4795.0000 -219.52617 -211.66924 7.85693 2.50789 -212.55788 714.51696
4800.0000 -221.04483 -212.55337 8.49146 2.51391 -212.43778 728.43117
4805.0000 -221.17346 -213.17872 7.99474 2.51521 -212.41188 738.36636
4810.0000 -222.49024 -212.92344 9.56680 2.49950 -212.72518 724.78507
4815.0000 -221.73930 -211.60311 10.13619 2.51227 -212.47060 715.33095
4820.0000 -221.55126 -213.43752 8.11374 2.54408 -211.83647 748.29041
4825.0000 -222.86898 -214.49022 8.37876 2.43629 -213.98505 668.49667
4830.0000 -220.99508 -212.29231 8.70277 2.46740 -213.36491 690.35788
4835.0000 -220.30730 -211.20763 9.09967 2.55575 -211.60387 750.11674
4840.0000 -221.22966 -213.02511 8.20456 2.54103 -211.89728 725.47732
4845.0000 -219.70220 -211.39831 8.30389 2.50553 -212.60484 736.68812
4850.0000 -221.28705 -213.65739 7.62966 2.50394 -212.63656 722.58307
4855.0000 -221.96900 -213.90410 8.06490 2.46076 -213.49742 701.65790
4860.0000 -219.92190 -211.56941 8.35250 2.51878 -212.34067 726.83897
4865.0000 -221.52438 -211.88206 9.64232 2.50720 -212.57156 727.88624
4870.0000 -220.34483 -212.10849 8.23633 2.57312 -211.25755 765.69806
4875.0000 -220.74306 -212.00030 8.74276 2.53878 -211.94203 738.52140
4880.0000 -221.44196 -212.87080 8.57116 2.51374 -212.44121 707.58130
4885.0000 -221.02271 -212.84789 8.17482 2.50224 -212.67042 688.68600
4890.0000 -220.84933 -211.61970 9.22963 2.53194 -212.07851 735.88233
4895.0000 -221.30733 -212.38519 8.92214 2.51813 -212.35380 736.16264
4900.0000 -222.14031 -215.09848 7.04184 2.42884 -214.13354 658.48479
4905.0000 -222.08533 -214.82947 7.25586 2.39656 -214.77713 635.52592
4910.0000 -222.93234 -215.55672 7.37561 2.39300 -214.84806 647.28409
4915.0000 -222.61842 -214.59909 8.01933 2.35695 -215.56670 637.61222
4920.0000 -220.61080 -211.94250 8.66830 2.44869 -213.73786 689.99754
4925.0000 -221.58467 -213.45703 8.12764 2.50736 -212.56846 709.48728
4930.0000 -220.66306 -212.36271 8.30035 2.45646 -213.58305 668.08011
4935.0000 -221.12300 -212.28591 8.83709 2.54609 -211.79644 772.22448
4940.0000 -219.76910 -210.66666 9.10244 2.56765 -211.36667 760.38400
4945.0000 -221.39711 -211.93180 9.46530 2.57885 -211.14336 770.56632
4950.0000 -221.11378 -212.74992 8.36386 2.54073 -211.90314 748.08212
4955.0000 -220.74048 -212.59780 8.14267 2.48634 -212.98741 691.09498
4960.0000 -221.43443 -212.97713 8.45730 2.53546 -212.00827 737.75629
4965.0000 -221.00231 -211.59309 9.40921 2.49396 -212.83546 751.41117
4970.0000 -220.07140 -212.25546 7.81594 2.53950 -211.92776 748.94202
4975.0000 -220.66641 -212.36345 8.30297 2.53483 -212.02090 722.35365
4980.0000 -219.89534 -210.88138 9.01396 2.55264 -211.66587 734.32542
4985.0000 -221.30963 -213.02115 8.28848 2.52494 -212.21792 700.95940
4990.0000 -220.00755 -211.94177 8.06578 2.49620 -212.79091 689.12661
4995.0000 -219.55320 -212.36460 7.18860 2.52517 -212.21331 722.37711
5000.0000 -221.71041 -214.44899 7.26142 2.44413 -213.82884 660.42503
FREEZING PROCESS: loop number 21 T-loop= 704.00000000000000
main_MD> interactions number 21 at Temperature= 704.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.28161 1.67243 -3.11017
force_rgl> df(natom) 0.26214 -1.70246 -0.57860
5005.0000 -221.55267 -214.32571 7.22696 2.41410 -214.42736 657.02587
5010.0000 -222.31463 -214.59516 7.71947 2.40278 -214.65302 668.23170
5015.0000 -221.15426 -214.78432 6.36994 2.39622 -214.78380 653.06708
5020.0000 -222.79193 -215.27361 7.51832 2.40271 -214.65448 655.73165
5025.0000 -222.32268 -214.30037 8.02231 2.42814 -214.14768 669.36926
5030.0000 -222.40028 -214.21036 8.18992 2.42949 -214.12064 677.68786
5035.0000 -222.64288 -214.37252 8.27037 2.40905 -214.52822 651.69231
5040.0000 -221.81492 -213.83338 7.98154 2.47709 -213.17182 704.27706
5045.0000 -219.75024 -212.19000 7.56024 2.48415 -213.03110 716.77724
5050.0000 -220.61842 -211.95890 8.65952 2.52917 -212.13357 725.36163
5055.0000 -221.24426 -213.61573 7.62853 2.47856 -213.14259 710.50158
5060.0000 -219.79569 -211.61392 8.18177 2.50120 -212.69122 697.57244
5065.0000 -221.27440 -213.05293 8.22147 2.53371 -212.04315 743.69063
5070.0000 -220.96289 -213.69422 7.26866 2.45526 -213.60701 680.45840
5075.0000 -220.05200 -212.71604 7.33596 2.48154 -213.08305 681.90064
5080.0000 -221.62404 -211.68577 9.93827 2.54529 -211.81239 770.96295
5085.0000 -220.42665 -211.52099 8.90567 2.50426 -212.63019 720.45998
5090.0000 -221.60924 -212.04386 9.56538 2.52462 -212.22434 740.05782
5095.0000 -219.49715 -211.78396 7.71320 2.54340 -211.85009 739.22533
5100.0000 -219.87048 -211.32450 8.54598 2.53921 -211.93362 738.63127
5105.0000 -221.31929 -212.21548 9.10381 2.51882 -212.33997 729.08801
5110.0000 -221.90630 -213.92427 7.98203 2.47121 -213.28911 692.44723
5115.0000 -221.33470 -214.34404 6.99066 2.44807 -213.75034 678.72514
5120.0000 -221.58817 -212.12718 9.46099 2.43709 -213.96927 682.70267
5125.0000 -220.88043 -213.38423 7.49620 2.53313 -212.05474 750.17553
5130.0000 -222.00118 -214.62567 7.37552 2.45382 -213.63567 706.02773
5135.0000 -223.27541 -215.81628 7.45913 2.36980 -215.31061 660.13551
5140.0000 -222.58921 -214.44467 8.14454 2.39058 -214.89620 659.21496
5145.0000 -222.48755 -215.14577 7.34178 2.39786 -214.75120 674.18994
5150.0000 -219.99082 -212.37223 7.61859 2.44782 -213.75530 694.13713
5155.0000 -219.26888 -210.87643 8.39244 2.52800 -212.15700 729.49238
5160.0000 -221.70965 -213.00835 8.70130 2.55408 -211.63709 727.23335
5165.0000 -221.15882 -212.45637 8.70245 2.51288 -212.45846 733.84840
5170.0000 -221.74385 -213.36684 8.37701 2.48904 -212.93358 720.04546
5175.0000 -221.42955 -214.11478 7.31477 2.43307 -214.04926 668.73084
5180.0000 -220.87402 -211.99830 8.87572 2.49812 -212.75262 723.53857
5185.0000 -220.15070 -212.63755 7.51314 2.54367 -211.84452 734.94365
5190.0000 -220.72951 -212.68399 8.04552 2.52315 -212.25369 732.68679
5195.0000 -221.38262 -213.74763 7.63498 2.47250 -213.26331 694.88750
5200.0000 -220.76246 -212.13812 8.62434 2.52100 -212.29661 739.76275
5205.0000 -219.83216 -212.11039 7.72177 2.51268 -212.46231 733.28000
5210.0000 -219.71075 -211.46790 8.24285 2.53405 -212.03629 731.98483
5215.0000 -220.63465 -212.77915 7.85550 2.53278 -212.06169 715.63967
5220.0000 -221.46710 -213.33775 8.12935 2.51462 -212.42374 720.94540
5225.0000 -221.35930 -213.78272 7.57658 2.45193 -213.67340 683.94578
5230.0000 -220.29484 -210.97308 9.32177 2.52586 -212.19967 735.21601
5235.0000 -218.74565 -211.86201 6.88364 2.56311 -211.45720 735.04033
5240.0000 -220.49049 -212.44438 8.04612 2.54557 -211.80669 746.09144
5245.0000 -222.65461 -213.75502 8.89959 2.47461 -213.22120 713.01444
5250.0000 -222.46635 -213.77218 8.69417 2.46628 -213.38739 717.36868
FREEZING PROCESS: loop number 22 T-loop= 679.00000000000000
main_MD> interactions number 22 at Temperature= 679.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50901 -0.25428 2.41866
force_rgl> df(natom) -1.21891 -0.57081 0.45231
5255.0000 -221.55806 -213.42470 8.13335 2.47730 -213.16773 710.33488
5260.0000 -221.93089 -213.95193 7.97897 2.46285 -213.45575 691.39267
5265.0000 -221.27331 -214.24532 7.02799 2.44567 -213.79809 716.64504
5270.0000 -220.88642 -213.41503 7.47139 2.42434 -214.22332 671.04784
5275.0000 -220.64155 -212.92837 7.71318 2.47301 -213.25311 695.53823
5280.0000 -222.94927 -214.71853 8.23075 2.49016 -212.91122 710.99252
5285.0000 -221.49754 -213.26101 8.23653 2.43167 -214.07730 691.78434
5290.0000 -220.36447 -212.38714 7.97733 2.44927 -213.72638 682.28771
5295.0000 -221.84070 -214.17532 7.66538 2.45838 -213.54479 671.82443
5300.0000 -223.89489 -215.71922 8.17567 2.38269 -215.05362 672.25298
5305.0000 -221.47933 -213.06053 8.41881 2.44932 -213.72533 705.36381
5310.0000 -220.76773 -212.78376 7.98397 2.51350 -212.44610 724.00443
5315.0000 -220.95146 -212.40065 8.55081 2.50401 -212.63528 717.65488
5320.0000 -222.60585 -214.16519 8.44067 2.48004 -213.11306 696.92823
5325.0000 -220.98319 -214.83112 6.15207 2.43062 -214.09817 670.29729
5330.0000 -222.49025 -214.71766 7.77259 2.44368 -213.83785 687.63926
5335.0000 -222.29776 -213.53720 8.76056 2.46408 -213.43120 704.68782
5340.0000 -221.03507 -212.76923 8.26584 2.46256 -213.46154 694.37582
5345.0000 -221.46820 -213.24189 8.22631 2.48187 -213.07663 690.37027
5350.0000 -222.59730 -214.82689 7.77041 2.42979 -214.11479 646.54090
5355.0000 -223.01890 -216.14792 6.87097 2.37862 -215.13474 637.89637
5360.0000 -222.95943 -215.38300 7.57643 2.36878 -215.33092 638.48564
5365.0000 -220.93673 -213.26402 7.67272 2.44457 -213.82004 702.51499
5370.0000 -221.80157 -213.73731 8.06426 2.45458 -213.62043 691.61320
5375.0000 -221.49010 -213.68778 7.80231 2.42944 -214.12162 696.27185
5380.0000 -222.68564 -214.02900 8.65664 2.43629 -213.98507 697.21856
5385.0000 -222.70219 -214.90677 7.79542 2.42499 -214.21046 658.30153
5390.0000 -221.97684 -214.51018 7.46666 2.40580 -214.59295 649.46039
5395.0000 -222.69700 -215.41340 7.28360 2.37593 -215.18841 639.99632
5400.0000 -223.09092 -214.88788 8.20304 2.37188 -215.26899 648.93546
5405.0000 -221.36998 -213.51769 7.85229 2.42288 -214.25238 665.58237
5410.0000 -222.43157 -215.17784 7.25372 2.43995 -213.91224 683.22098
5415.0000 -221.85355 -215.28241 6.57114 2.39753 -214.75773 637.61894
5420.0000 -223.43668 -215.77325 7.66344 2.39165 -214.87505 676.12414
5425.0000 -223.31400 -215.61667 7.69733 2.37627 -215.18150 668.64783
5430.0000 -223.10064 -215.27998 7.82066 2.37230 -215.26063 662.30991
5435.0000 -221.20585 -215.27838 5.92747 2.37912 -215.12465 641.38493
5440.0000 -223.33702 -216.76692 6.57010 2.34045 -215.89568 614.68112
5445.0000 -222.10887 -214.86754 7.24132 2.33655 -215.97342 591.30454
5450.0000 -221.28173 -212.86477 8.41696 2.45097 -213.69243 696.13520
5455.0000 -221.20011 -212.66855 8.53156 2.47528 -213.20790 723.16623
5460.0000 -222.06563 -214.25516 7.81047 2.44396 -213.83226 663.73627
5465.0000 -221.63536 -214.37768 7.25768 2.43203 -214.06999 680.33407
5470.0000 -221.85309 -214.44746 7.40563 2.41916 -214.32669 676.83299
5475.0000 -222.38874 -214.79666 7.59208 2.43274 -214.05582 672.74359
5480.0000 -223.04548 -215.13869 7.90679 2.39226 -214.86280 683.56299
5485.0000 -223.89807 -216.14150 7.75657 2.33819 -215.94065 667.73410
5490.0000 -222.69062 -214.94562 7.74500 2.33473 -216.00961 646.07532
5495.0000 -222.56234 -215.40080 7.16154 2.41205 -214.46839 671.64815
5500.0000 -222.54146 -214.69874 7.84272 2.36628 -215.38074 626.98734
FREEZING PROCESS: loop number 23 T-loop= 654.00000000000000
main_MD> interactions number 23 at Temperature= 654.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.63175 -0.23069 -0.24257
force_rgl> df(natom) 1.36034 -0.86933 1.88753
5505.0000 -222.23811 -214.66208 7.57603 2.40217 -214.66533 675.52965
5510.0000 -222.91477 -215.94910 6.96567 2.35384 -215.62865 624.27139
5515.0000 -221.99435 -214.20034 7.79402 2.36835 -215.33946 637.44067
5520.0000 -221.86288 -214.83505 7.02783 2.43257 -214.05928 670.80858
5525.0000 -221.86585 -213.50827 8.35758 2.44622 -213.78726 671.20243
5530.0000 -221.54165 -214.67600 6.86565 2.39848 -214.73891 652.92261
5535.0000 -220.52286 -213.31378 7.20907 2.43005 -214.10951 678.22120
5540.0000 -221.52972 -214.20213 7.32759 2.45147 -213.68259 692.32914
5545.0000 -222.85038 -215.80084 7.04954 2.39374 -214.83325 648.93300
5550.0000 -223.48194 -215.86966 7.61229 2.34713 -215.76235 627.96357
5555.0000 -222.46348 -214.31485 8.14863 2.34921 -215.72096 646.28155
5560.0000 -224.30600 -217.25871 7.04729 2.37645 -215.17788 645.08218
5565.0000 -222.75983 -215.61223 7.14760 2.31504 -216.40207 602.15103
5570.0000 -222.51815 -215.01488 7.50327 2.36714 -215.36355 648.99607
5575.0000 -222.57854 -215.17630 7.40224 2.41062 -214.49678 655.02686
5580.0000 -223.76048 -215.76450 7.99598 2.34429 -215.81909 629.13460
5585.0000 -222.67112 -214.97458 7.69653 2.37202 -215.26623 640.70338
5590.0000 -221.52650 -214.29699 7.22950 2.39240 -214.85995 639.17608
5595.0000 -221.62558 -213.80746 7.81811 2.43595 -213.99182 679.17107
5600.0000 -222.04115 -214.50685 7.53430 2.42597 -214.19087 661.84170
5605.0000 -221.72462 -214.55632 7.16830 2.38215 -215.06438 653.72031
5610.0000 -222.21598 -215.84191 6.37406 2.37490 -215.20889 647.74119
5615.0000 -221.87805 -214.60015 7.27789 2.39379 -214.83235 651.90181
5620.0000 -221.26271 -213.02587 8.23684 2.45502 -213.61177 693.28019
5625.0000 -222.22710 -214.59524 7.63186 2.43539 -214.00304 685.15904
5630.0000 -222.80932 -216.15454 6.65478 2.35178 -215.66973 622.97594
5635.0000 -222.12016 -214.56486 7.55529 2.43100 -214.09062 664.45084
5640.0000 -222.23615 -215.21652 7.01963 2.45015 -213.70887 690.78527
5645.0000 -221.02388 -213.73121 7.29267 2.40696 -214.56975 660.71870
5650.0000 -222.50286 -215.40323 7.09964 2.40130 -214.68264 648.33875
5655.0000 -222.86216 -215.44648 7.41567 2.38682 -214.97121 653.97734
5660.0000 -223.13274 -216.71286 6.41988 2.31929 -216.31734 611.04284
5665.0000 -222.57044 -215.38749 7.18295 2.32974 -216.10906 602.96127
5670.0000 -221.84848 -214.08528 7.76321 2.41338 -214.44172 677.12603
5675.0000 -222.88880 -214.84209 8.04671 2.41976 -214.31454 678.23592
5680.0000 -223.30680 -215.27677 8.03003 2.35086 -215.68811 676.62962
5685.0000 -224.52406 -216.31991 8.20416 2.36128 -215.48044 700.99012
5690.0000 -222.21943 -215.00118 7.21825 2.36600 -215.38620 691.63099
5695.0000 -223.50931 -215.68600 7.82331 2.36709 -215.36454 675.81017
5700.0000 -223.74437 -215.50860 8.23577 2.34917 -215.72179 648.14645
5705.0000 -221.90361 -214.93836 6.96525 2.33739 -215.95653 646.57215
5710.0000 -222.74550 -214.62346 8.12204 2.42066 -214.29667 647.78590
5715.0000 -221.36489 -213.16274 8.20215 2.42718 -214.16677 668.21115
5720.0000 -221.91973 -214.70009 7.21964 2.44019 -213.90748 678.17985
5725.0000 -223.84720 -216.64472 7.20247 2.34151 -215.87456 618.51275
5730.0000 -222.10477 -214.55438 7.55039 2.37008 -215.30491 666.86046
5735.0000 -221.96822 -214.22389 7.74433 2.41466 -214.41636 657.87138
5740.0000 -222.11499 -214.44577 7.66922 2.41954 -214.31906 691.50124
5745.0000 -222.98698 -214.71157 8.27541 2.40944 -214.52039 665.45773
5750.0000 -220.54209 -213.82357 6.71852 2.41841 -214.34161 646.72079
FREEZING PROCESS: loop number 24 T-loop= 629.00000000000000
main_MD> interactions number 24 at Temperature= 629.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58505 0.64578 -0.57211
force_rgl> df(natom) 1.31794 -2.30256 0.44788
5755.0000 -222.20970 -214.31664 7.89306 2.43427 -214.02544 679.65368
5760.0000 -222.32204 -214.83593 7.48611 2.40518 -214.60533 651.74088
5765.0000 -223.34238 -215.57797 7.76442 2.38870 -214.93376 643.77535
5770.0000 -222.38955 -214.27049 8.11906 2.37636 -215.17967 648.21430
5775.0000 -222.68548 -214.34919 8.33629 2.42512 -214.20786 668.40669
5780.0000 -223.07448 -215.10563 7.96885 2.38546 -214.99839 623.52180
5785.0000 -221.70995 -215.08397 6.62597 2.35898 -215.52614 636.62468
5790.0000 -222.26883 -214.31748 7.95135 2.38112 -215.08494 640.51405
5795.0000 -221.05291 -213.47842 7.57449 2.43874 -213.93626 665.47304
5800.0000 -220.71358 -213.82948 6.88410 2.45140 -213.68384 680.64240
5805.0000 -223.00242 -215.94640 7.05602 2.37295 -215.24783 639.59748
5810.0000 -222.68268 -214.80491 7.87777 2.33058 -216.09232 604.41432
5815.0000 -223.37841 -215.94139 7.43702 2.32803 -216.14316 631.77150
5820.0000 -223.21889 -217.04882 6.17007 2.34019 -215.90085 646.50426
5825.0000 -223.83155 -216.98103 6.85053 2.27167 -217.26662 603.08156
5830.0000 -222.95107 -216.97419 5.97688 2.30378 -216.62649 620.05386
5835.0000 -224.47304 -217.10913 7.36392 2.29403 -216.82084 613.10438
5840.0000 -224.18796 -216.39738 7.79059 2.32421 -216.21931 656.26342
5845.0000 -222.93943 -216.71919 6.22024 2.29556 -216.79035 588.64884
5850.0000 -223.29264 -216.22633 7.06631 2.27405 -217.21929 580.98899
5855.0000 -223.39928 -215.66009 7.73919 2.32095 -216.28431 599.73655
5860.0000 -222.80899 -215.92540 6.88358 2.32801 -216.14353 631.89001
5865.0000 -223.85872 -217.26511 6.59361 2.31874 -216.32835 612.50741
5870.0000 -224.78680 -217.45485 7.33195 2.24966 -217.70535 571.94738
5875.0000 -223.91024 -216.21521 7.69503 2.30640 -216.57429 602.66085
5880.0000 -223.70701 -217.52883 6.17818 2.28260 -217.04883 585.01045
5885.0000 -225.22012 -217.17489 8.04523 2.26667 -217.36638 614.93156
5890.0000 -224.61507 -217.36695 7.24812 2.28830 -216.93509 628.81808
5895.0000 -222.96553 -215.56671 7.39882 2.32170 -216.26939 649.03970
5900.0000 -224.39255 -217.63425 6.75830 2.27551 -217.19004 592.45247
5905.0000 -222.49917 -215.52069 6.97848 2.29327 -216.83612 597.69850
5910.0000 -222.95086 -215.65331 7.29755 2.34587 -215.78749 636.68751
5915.0000 -223.76505 -216.62723 7.13782 2.33269 -216.05019 620.72532
5920.0000 -223.54478 -215.21846 8.32632 2.33362 -216.03180 623.45789
5925.0000 -224.94379 -217.74336 7.20042 2.34014 -215.90173 650.20519
5930.0000 -223.46606 -216.64891 6.81716 2.26258 -217.44783 564.36919
5935.0000 -223.68235 -216.22728 7.45507 2.33760 -215.95237 633.13331
5940.0000 -224.42892 -217.28874 7.14019 2.30736 -216.55518 619.69345
5945.0000 -223.84190 -217.00149 6.84041 2.32644 -216.17483 633.58409
5950.0000 -223.85824 -217.18415 6.67409 2.30102 -216.68166 608.69308
5955.0000 -223.04433 -216.55956 6.48476 2.30089 -216.68409 601.19400
5960.0000 -223.90028 -216.11457 7.78571 2.33463 -216.01157 630.81724
5965.0000 -224.49415 -215.70951 8.78464 2.31951 -216.31306 628.02840
5970.0000 -222.24664 -215.50740 6.73925 2.38408 -215.02594 655.36346
5975.0000 -224.06601 -216.64954 7.41647 2.35329 -215.63956 612.19383
5980.0000 -223.10996 -215.70204 7.40791 2.34273 -215.85021 611.18877
5985.0000 -223.02657 -216.45234 6.57423 2.34141 -215.87646 586.44519
5990.0000 -223.18946 -215.99341 7.19605 2.31298 -216.44321 590.89409
5995.0000 -223.87659 -216.67905 7.19755 2.32644 -216.17480 623.66223
6000.0000 -223.02592 -216.00876 7.01716 2.30129 -216.67626 607.57931
FREEZING PROCESS: loop number 25 T-loop= 604.00000000000000
main_MD> interactions number 25 at Temperature= 604.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.59862 3.26223 2.28410
force_rgl> df(natom) 2.17016 1.05668 -1.40481
6005.0000 -222.22953 -216.25880 5.97073 2.30217 -216.65862 594.81789
6010.0000 -222.49644 -214.53212 7.96432 2.36754 -215.35559 649.06882
6015.0000 -223.04945 -215.51115 7.53831 2.38475 -215.01258 656.78498
6020.0000 -222.98850 -216.37534 6.61316 2.36538 -215.39856 637.41529
6025.0000 -223.45241 -216.04626 7.40615 2.33060 -216.09199 608.37496
6030.0000 -222.94276 -215.83002 7.11274 2.35666 -215.57247 631.49639
6035.0000 -223.86551 -217.14179 6.72372 2.30825 -216.53754 609.74850
6040.0000 -223.99856 -217.39894 6.59962 2.28101 -217.08052 596.63245
6045.0000 -224.10049 -217.51863 6.58186 2.23738 -217.95014 558.04540
6050.0000 -223.97844 -217.12397 6.85447 2.22814 -218.13431 562.10498
6055.0000 -224.19803 -217.58302 6.61501 2.28955 -216.91020 600.42653
6060.0000 -224.80788 -217.55757 7.25031 2.26115 -217.47639 570.93059
6065.0000 -225.48486 -218.85181 6.63305 2.20287 -218.63809 552.82893
6070.0000 -225.49177 -217.92182 7.56995 2.21941 -218.30830 577.31429
6075.0000 -223.86668 -217.00389 6.86278 2.27890 -217.12256 589.80980
6080.0000 -224.18478 -217.10790 7.07689 2.30618 -216.57868 625.99116
6085.0000 -224.60872 -216.00207 8.60665 2.31922 -216.31869 636.28622
6090.0000 -223.21870 -215.92457 7.29413 2.33568 -215.99075 656.18718
6095.0000 -222.40920 -215.88586 6.52334 2.34103 -215.88409 637.43897
6100.0000 -222.90589 -215.69976 7.20613 2.35320 -215.64146 644.86393
6105.0000 -223.77383 -215.99536 7.77846 2.34326 -215.83950 609.13960
6110.0000 -223.24901 -216.45557 6.79344 2.32475 -216.20862 604.11054
6115.0000 -222.37418 -215.85749 6.51669 2.33844 -215.93563 618.79308
6120.0000 -222.82158 -215.08327 7.73831 2.35895 -215.52687 649.02505
6125.0000 -223.28377 -215.32994 7.95383 2.38073 -215.09275 671.87818
6130.0000 -222.79850 -216.03915 6.75935 2.33012 -216.10150 624.20733
6135.0000 -223.98948 -215.51350 8.47598 2.35071 -215.69115 642.15045
6140.0000 -222.57023 -215.45179 7.11844 2.36785 -215.34933 643.43627
6145.0000 -223.77869 -214.87888 8.89981 2.36806 -215.34521 649.98244
6150.0000 -222.90011 -215.34227 7.55785 2.37488 -215.20923 654.71880
6155.0000 -223.03442 -216.70653 6.32789 2.32500 -216.20359 615.81032
6160.0000 -224.61664 -217.43095 7.18569 2.28176 -217.06550 579.42056
6165.0000 -223.21318 -216.03958 7.17360 2.26000 -217.49920 570.65903
6170.0000 -223.76849 -217.76614 6.00235 2.27728 -217.15481 592.17342
6175.0000 -225.00266 -218.08331 6.91935 2.25048 -217.68910 575.68762
6180.0000 -223.73676 -217.27500 6.46176 2.21668 -218.36278 558.38240
6185.0000 -224.05754 -217.84957 6.20797 2.25377 -217.62346 555.15076
6190.0000 -224.21467 -217.27594 6.93873 2.24858 -217.72683 562.33809
6195.0000 -222.30175 -215.09859 7.20316 2.30624 -216.57748 617.54286
6200.0000 -224.64408 -218.12908 6.51501 2.30350 -216.63215 598.37699
6205.0000 -223.72974 -217.43117 6.29857 2.25636 -217.57179 577.43321
6210.0000 -222.72265 -215.01875 7.70390 2.33360 -216.03209 607.21973
6215.0000 -223.29320 -217.10364 6.18956 2.29799 -216.74200 566.51844
6220.0000 -223.40242 -216.47842 6.92400 2.33857 -215.93316 604.98289
6225.0000 -223.83463 -216.99660 6.83804 2.32223 -216.25873 611.40256
6230.0000 -223.76022 -217.87955 5.88067 2.28580 -216.98495 597.73689
6235.0000 -223.37069 -217.03761 6.33308 2.24434 -217.81141 560.25894
6240.0000 -221.66145 -214.60464 7.05681 2.35885 -215.52879 631.90990
6245.0000 -224.06062 -216.81026 7.25036 2.36511 -215.40396 629.86589
6250.0000 -222.56301 -215.52209 7.04092 2.33472 -216.00972 596.87642
FREEZING PROCESS: loop number 26 T-loop= 579.00000000000000
main_MD> interactions number 26 at Temperature= 579.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.45079 1.15158 -2.11136
force_rgl> df(natom) -0.94187 2.94464 2.88108
6255.0000 -223.15652 -215.34031 7.81622 2.38011 -215.10496 636.63220
6260.0000 -223.59100 -216.75561 6.83538 2.34202 -215.86427 633.80960
6265.0000 -223.98975 -216.63820 7.35155 2.30570 -216.58824 603.35931
6270.0000 -223.68029 -216.77872 6.90157 2.28671 -216.96686 607.39096
6275.0000 -224.11899 -218.31711 5.80187 2.29110 -216.87924 622.31111
6280.0000 -224.56548 -218.21515 6.35033 2.25980 -217.50318 599.50005
6285.0000 -223.88588 -217.47086 6.41503 2.24796 -217.73923 574.07280
6290.0000 -225.13002 -218.60757 6.52245 2.23254 -218.04660 563.16225
6295.0000 -224.49919 -218.60624 5.89295 2.22203 -218.25618 555.99455
6300.0000 -224.37374 -218.90246 5.47128 2.20333 -218.62891 544.64774
6305.0000 -222.72765 -215.44122 7.28643 2.28723 -216.95655 604.20175
6310.0000 -222.00026 -214.42101 7.57924 2.37939 -215.11933 644.58890
6315.0000 -222.50985 -215.41577 7.09407 2.39009 -214.90611 658.22024
6320.0000 -224.05211 -217.14172 6.91039 2.31841 -216.33496 605.76435
6325.0000 -223.77868 -217.00512 6.77356 2.28489 -217.00304 568.70225
6330.0000 -224.53240 -218.69835 5.83405 2.25521 -217.59469 570.25068
6335.0000 -224.91952 -218.14409 6.77543 2.24441 -217.81009 574.86832
6340.0000 -224.89442 -218.95156 5.94286 2.21244 -218.44738 549.04931
6345.0000 -224.60008 -218.51125 6.08884 2.19362 -218.82258 560.00146
6350.0000 -224.87903 -217.56025 7.31878 2.22263 -218.24422 577.51903
6355.0000 -223.84931 -216.88399 6.96531 2.28328 -217.03519 618.39653
6360.0000 -225.80390 -217.46600 8.33790 2.25995 -217.50035 613.14728
6365.0000 -223.88503 -217.69559 6.18944 2.25044 -217.68983 609.34011
6370.0000 -224.00374 -216.78246 7.22128 2.25909 -217.51745 606.81274
6375.0000 -224.49156 -217.53512 6.95644 2.24211 -217.85594 585.78314
6380.0000 -224.64165 -217.46002 7.18162 2.25327 -217.63348 589.60104
6385.0000 -225.28330 -218.29390 6.98940 2.21917 -218.31328 579.84079
6390.0000 -226.02606 -219.98476 6.04130 2.21266 -218.44298 568.62465
6395.0000 -224.85506 -218.48092 6.37414 2.16005 -219.49170 518.80149
6400.0000 -225.09640 -218.95934 6.13706 2.17743 -219.14528 540.09276
6405.0000 -225.72378 -219.51444 6.20934 2.18798 -218.93485 559.90500
6410.0000 -224.23713 -217.71931 6.51782 2.19196 -218.85564 556.31707
6415.0000 -224.65772 -218.42550 6.23222 2.20864 -218.52309 552.50131
6420.0000 -224.37677 -217.37516 7.00161 2.24059 -217.88612 579.40531
6425.0000 -222.91680 -215.86641 7.05038 2.34213 -215.86210 636.06169
6430.0000 -223.70282 -215.29128 8.41154 2.32884 -216.12702 620.40965
6435.0000 -224.11615 -217.61749 6.49866 2.33227 -216.05874 625.57990
6440.0000 -224.11883 -217.49798 6.62085 2.23614 -217.97491 558.82237
6445.0000 -223.85843 -217.43608 6.42235 2.23779 -217.94210 547.13046
6450.0000 -224.00583 -217.17015 6.83568 2.29485 -216.80457 600.36863
6455.0000 -223.77040 -217.36433 6.40607 2.26446 -217.41040 573.16813
6460.0000 -223.96136 -217.07273 6.88863 2.25196 -217.65952 566.19513
6465.0000 -223.26000 -216.89988 6.36012 2.27334 -217.23331 556.83723
6470.0000 -223.41454 -217.34625 6.06829 2.27612 -217.17792 554.18141
6475.0000 -225.20042 -219.06773 6.13269 2.26974 -217.30511 560.46023
6480.0000 -223.98612 -217.26161 6.72451 2.24216 -217.85499 577.16663
6485.0000 -224.44976 -217.40987 7.03989 2.26516 -217.39639 607.35750
6490.0000 -224.86345 -218.23936 6.62409 2.20946 -218.50684 569.38227
6495.0000 -223.83985 -217.32280 6.51705 2.25821 -217.53491 605.27135
6500.0000 -224.27907 -217.98251 6.29656 2.25585 -217.58198 589.20815
FREEZING PROCESS: loop number 27 T-loop= 554.00000000000000
main_MD> interactions number 27 at Temperature= 554.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84402 0.73954 1.32527
force_rgl> df(natom) 0.67227 -1.73376 1.74204
6505.0000 -224.00064 -217.76547 6.23517 2.22700 -218.15718 543.68896
6510.0000 -224.15575 -217.59364 6.56211 2.28973 -216.90662 597.26950
6515.0000 -225.26805 -218.59372 6.67434 2.26652 -217.36924 582.06863
6520.0000 -224.99315 -218.99701 5.99614 2.17250 -219.24351 515.06584
6525.0000 -224.65291 -218.60896 6.04396 2.18136 -219.06680 533.37870
6530.0000 -223.91221 -217.59484 6.31737 2.23949 -217.90819 556.24712
6535.0000 -222.57010 -217.14538 5.42471 2.24558 -217.78675 555.78332
6540.0000 -222.64475 -216.82252 5.82224 2.27975 -217.10553 563.45709
6545.0000 -224.99459 -218.87241 6.12218 2.24324 -217.83334 546.12842
6550.0000 -225.40999 -218.64147 6.76852 2.17989 -219.09618 536.52897
6555.0000 -225.06023 -218.08323 6.97700 2.23865 -217.92488 562.46486
6560.0000 -224.08930 -217.75998 6.32931 2.26090 -217.48136 571.85696
6565.0000 -223.47306 -217.17396 6.29910 2.26097 -217.47993 556.54345
6570.0000 -223.97284 -217.81009 6.16275 2.23050 -218.08729 528.91902
6575.0000 -223.46836 -216.85251 6.61585 2.26786 -217.34261 586.31552
6580.0000 -224.47126 -218.33907 6.13220 2.26467 -217.40618 592.17708
6585.0000 -224.80551 -218.31141 6.49411 2.22384 -218.22001 557.52338
6590.0000 -225.36431 -218.64877 6.71554 2.23762 -217.94538 587.67611
6595.0000 -226.21361 -219.94466 6.26896 2.16954 -219.30256 559.56877
6600.0000 -225.83766 -219.66779 6.16987 2.13576 -219.97584 537.64972
6605.0000 -226.11062 -220.10772 6.00290 2.14967 -219.69867 558.35805
6610.0000 -226.34118 -220.12622 6.21496 2.14852 -219.72145 557.14590
6615.0000 -226.29390 -220.07239 6.22150 2.12829 -220.12482 534.43339
6620.0000 -225.02660 -218.32079 6.70581 2.18888 -218.91706 572.72491
6625.0000 -225.73687 -219.61219 6.12468 2.19352 -218.82456 563.52589
6630.0000 -225.15121 -219.58949 5.56172 2.15426 -219.60703 544.92826
6635.0000 -225.38456 -218.39130 6.99326 2.18056 -219.08293 557.46438
6640.0000 -224.33596 -217.35293 6.98303 2.24788 -217.74079 606.87118
6645.0000 -224.83284 -218.76424 6.06860 2.23717 -217.95441 597.56000
6650.0000 -223.84860 -217.47638 6.37222 2.21754 -218.34577 575.86783
6655.0000 -224.57255 -217.49975 7.07280 2.23542 -217.98932 580.81650
6660.0000 -225.30007 -218.76228 6.53779 2.24215 -217.85502 566.12421
6665.0000 -223.32370 -216.78483 6.53887 2.21391 -218.41808 538.33882
6670.0000 -224.10579 -218.07882 6.02697 2.26004 -217.49848 572.59638
6675.0000 -225.04948 -219.21841 5.83107 2.22829 -218.13135 542.89359
6680.0000 -225.47247 -219.46742 6.00506 2.16690 -219.35505 504.55720
6685.0000 -225.06045 -219.28761 5.77284 2.17660 -219.16186 536.75353
6690.0000 -225.21833 -218.20242 7.01591 2.20343 -218.62703 550.56094
6695.0000 -224.20446 -218.20449 5.99997 2.25078 -217.68298 590.06320
6700.0000 -225.77016 -218.66841 7.10175 2.19009 -218.89288 565.68876
6705.0000 -226.05360 -219.84498 6.20862 2.16309 -219.43108 553.50619
6710.0000 -224.22030 -218.63227 5.58803 2.15399 -219.61242 538.48173
6715.0000 -224.85551 -219.35027 5.50524 2.16124 -219.46790 537.54190
6720.0000 -225.29292 -219.27837 6.01455 2.18531 -218.98822 550.61513
6725.0000 -225.21354 -218.83907 6.37447 2.18184 -219.05735 545.02084
6730.0000 -225.41597 -218.60721 6.80875 2.18255 -219.04312 525.16380
6735.0000 -224.76123 -218.33578 6.42545 2.20506 -218.59444 541.29514
6740.0000 -224.85815 -218.35152 6.50663 2.21798 -218.33687 529.61590
6745.0000 -224.87508 -217.92430 6.95078 2.20521 -218.59137 528.23755
6750.0000 -225.23318 -218.60612 6.62707 2.24347 -217.82882 586.37473
FREEZING PROCESS: loop number 28 T-loop= 529.00000000000000
main_MD> interactions number 28 at Temperature= 529.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86324 -1.22923 -1.32263
force_rgl> df(natom) -3.14803 2.82785 1.16881
6755.0000 -225.05050 -219.53292 5.51758 2.19723 -218.75055 546.34185
6760.0000 -224.13560 -217.81665 6.31895 2.20459 -218.60382 545.44720
6765.0000 -224.76436 -219.00883 5.75553 2.20727 -218.55046 548.32052
6770.0000 -224.87900 -218.93161 5.94739 2.19714 -218.75236 556.46172
6775.0000 -225.90137 -218.91710 6.98427 2.19763 -218.74258 551.93302
6780.0000 -224.11962 -218.64285 5.47677 2.17831 -219.12758 521.64734
6785.0000 -224.58992 -217.86992 6.72000 2.22582 -218.18055 547.20462
6790.0000 -225.06610 -219.26788 5.79821 2.17951 -219.10383 502.37724
6795.0000 -224.62054 -218.99961 5.62093 2.16842 -219.32477 515.64006
6800.0000 -223.97886 -218.26336 5.71550 2.19824 -218.73048 524.28800
6805.0000 -225.08527 -219.20021 5.88507 2.20048 -218.68565 546.53306
6810.0000 -225.77551 -218.95450 6.82101 2.16388 -219.41542 548.49995
6815.0000 -224.78916 -218.99801 5.79115 2.16079 -219.47691 537.73668
6820.0000 -224.90310 -219.08674 5.81637 2.21441 -218.40803 567.36935
6825.0000 -225.38056 -218.83547 6.54508 2.18559 -218.98258 539.31601
6830.0000 -224.54264 -218.72146 5.82118 2.19099 -218.87489 551.92890
6835.0000 -226.81159 -220.36911 6.44248 2.18741 -218.94629 547.39848
6840.0000 -226.29218 -221.06074 5.23143 2.11455 -220.39866 512.36784
6845.0000 -225.80432 -221.32742 4.47690 2.09177 -220.85285 478.11059
6850.0000 -226.29336 -219.60099 6.69237 2.10227 -220.64343 493.45897
6855.0000 -226.33280 -219.59025 6.74254 2.17981 -219.09782 542.26491
6860.0000 -223.85260 -218.37286 5.47974 2.17683 -219.15710 529.26018
6865.0000 -224.85620 -218.50173 6.35448 2.21523 -218.39169 563.40874
6870.0000 -224.73639 -218.15761 6.57878 2.21325 -218.43111 557.16334
6875.0000 -224.68052 -218.32101 6.35951 2.20131 -218.66930 551.64869
6880.0000 -225.98828 -219.92263 6.06565 2.18562 -218.98199 539.64041
6885.0000 -224.82688 -218.24728 6.57960 2.18508 -218.99274 536.47218
6890.0000 -225.21262 -219.13802 6.07460 2.21537 -218.38892 555.35555
6895.0000 -225.35176 -220.04760 5.30417 2.13975 -219.89636 503.59108
6900.0000 -223.51368 -218.03595 5.47773 2.20546 -218.58642 549.06618
6905.0000 -223.51519 -217.44620 6.06898 2.26129 -217.47359 577.31626
6910.0000 -224.81728 -219.03877 5.77851 2.23993 -217.89939 581.14056
6915.0000 -224.90888 -217.75269 7.15618 2.19908 -218.71358 565.31745
6920.0000 -225.30675 -219.02616 6.28059 2.20834 -218.52905 556.23182
6925.0000 -225.40410 -219.27494 6.12916 2.17012 -219.29085 536.29530
6930.0000 -225.98348 -219.32055 6.66293 2.19333 -218.82833 547.81430
6935.0000 -225.50177 -219.16557 6.33620 2.15510 -219.59038 515.75112
6940.0000 -225.45946 -219.37191 6.08755 2.18645 -218.96539 533.56267
6945.0000 -225.01104 -219.13753 5.87351 2.17560 -219.18173 513.24376
6950.0000 -225.08489 -219.64999 5.43490 2.19057 -218.88328 522.13695
6955.0000 -225.42130 -218.93968 6.48161 2.15119 -219.66829 472.25194
6960.0000 -225.36591 -219.13579 6.23011 2.17449 -219.20392 513.86460
6965.0000 -225.03380 -218.35130 6.68249 2.20785 -218.53887 557.58221
6970.0000 -226.01029 -219.35166 6.65864 2.19376 -218.81962 578.73788
6975.0000 -225.67041 -219.65970 6.01071 2.15549 -219.58256 538.14066
6980.0000 -225.54631 -219.80898 5.73732 2.16648 -219.36356 537.15567
6985.0000 -226.04639 -220.81581 5.23058 2.10981 -220.49312 498.10481
6990.0000 -225.34060 -218.95866 6.38194 2.11479 -220.39381 500.99519
6995.0000 -225.96922 -219.27032 6.69890 2.14962 -219.69960 511.12203
7000.0000 -224.71358 -218.52589 6.18769 2.18085 -219.07710 529.85143
FREEZING PROCESS: loop number 29 T-loop= 504.00000000000000
main_MD> interactions number 29 at Temperature= 504.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11268 0.32751 -1.10661
force_rgl> df(natom) -1.94092 0.00891 1.21099
7005.0000 -225.71488 -218.97699 6.73788 2.21804 -218.33577 567.99041
7010.0000 -225.26572 -218.71344 6.55228 2.19308 -218.83331 546.18393
7015.0000 -223.68909 -218.73280 4.95629 2.18591 -218.97608 544.90436
7020.0000 -226.26593 -220.54963 5.71630 2.15365 -219.61926 508.69048
7025.0000 -226.54327 -219.49754 7.04573 2.11430 -220.40357 509.46535
7030.0000 -225.62383 -219.76775 5.85607 2.13332 -220.02449 535.96480
7035.0000 -227.27655 -221.16983 6.10673 2.10413 -220.60635 534.72431
7040.0000 -227.78293 -221.95927 5.82366 2.09368 -220.81478 510.63992
7045.0000 -227.67597 -222.19358 5.48239 2.02690 -222.14585 470.34490
7050.0000 -228.37659 -222.34167 6.03491 2.01167 -222.44957 467.47490
7055.0000 -227.06910 -221.33545 5.73365 2.04378 -221.80933 487.50348
7060.0000 -227.20151 -221.55424 5.64727 2.07099 -221.26704 512.06042
7065.0000 -227.71688 -222.65940 5.05747 2.03437 -221.99688 480.19858
7070.0000 -227.82934 -222.33266 5.49668 2.01316 -222.41976 468.99270
7075.0000 -227.65700 -221.88066 5.77634 2.03326 -222.01901 484.09340
7080.0000 -227.37171 -221.71081 5.66090 2.05184 -221.64880 496.10258
7085.0000 -227.82596 -221.88989 5.93607 2.02911 -222.10174 464.81688
7090.0000 -226.38516 -219.81478 6.57038 2.08802 -220.92747 510.94147
7095.0000 -226.43743 -219.82017 6.61727 2.10991 -220.49118 520.11855
7100.0000 -226.86030 -221.75892 5.10138 2.10411 -220.60687 497.26235
7105.0000 -226.44135 -220.52732 5.91403 2.08804 -220.92706 482.03894
7110.0000 -225.78118 -219.50286 6.27832 2.15102 -219.67169 527.20426
7115.0000 -226.45038 -220.64737 5.80300 2.12385 -220.21325 514.28011
7120.0000 -226.95226 -221.09271 5.85955 2.07655 -221.15620 502.40456
7125.0000 -227.08833 -220.48021 6.60811 2.10067 -220.67530 519.83933
7130.0000 -226.71109 -220.97957 5.73152 2.13290 -220.03291 537.49192
7135.0000 -226.31866 -221.21100 5.10767 2.05857 -221.51455 475.08686
7140.0000 -225.37920 -219.92174 5.45747 2.10696 -220.54999 498.17977
7145.0000 -225.67132 -219.83370 5.83762 2.17517 -219.19037 564.95458
7150.0000 -225.36796 -218.97979 6.38818 2.13442 -220.00268 529.74940
7155.0000 -225.92984 -219.16547 6.76437 2.17058 -219.28183 557.57609
7160.0000 -226.63801 -221.23058 5.40743 2.12035 -220.28312 506.46513
7165.0000 -226.50306 -220.63017 5.87290 2.11673 -220.35521 506.90019
7170.0000 -227.21652 -220.92189 6.29463 2.07430 -221.20100 466.93274
7175.0000 -225.55675 -219.41085 6.14590 2.10858 -220.51774 491.37789
7180.0000 -226.12677 -220.36977 5.75700 2.11684 -220.35311 493.96207
7185.0000 -225.19675 -219.62950 5.56726 2.15596 -219.57320 514.60292
7190.0000 -225.91675 -220.17766 5.73908 2.13236 -220.04365 485.44278
7195.0000 -226.77603 -220.60408 6.17194 2.11342 -220.42123 493.24829
7200.0000 -226.53978 -220.13761 6.40217 2.11509 -220.38792 500.65232
7205.0000 -226.22412 -220.84398 5.38014 2.11814 -220.32714 491.98044
7210.0000 -226.38499 -220.54458 5.84041 2.08934 -220.90117 481.93756
7215.0000 -224.82982 -219.15303 5.67679 2.15142 -219.66368 531.04065
7220.0000 -224.63008 -218.31741 6.31267 2.19348 -218.82519 555.02908
7225.0000 -225.59022 -219.18733 6.40290 2.19456 -218.80379 539.66289
7230.0000 -225.44276 -219.55050 5.89226 2.16294 -219.43414 523.48354
7235.0000 -224.28142 -218.29301 5.98841 2.17432 -219.20712 518.85573
7240.0000 -225.34959 -219.03323 6.31636 2.20940 -218.50791 539.16923
7245.0000 -225.70064 -219.87811 5.82253 2.16674 -219.35825 498.27177
7250.0000 -225.90963 -219.97906 5.93057 2.12603 -220.16990 480.51040
FREEZING PROCESS: loop number 30 T-loop= 479.00000000000000
main_MD> interactions number 30 at Temperature= 479.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11747 -1.04208 -2.63640
force_rgl> df(natom) -0.59999 -0.84956 2.63231
7255.0000 -226.14201 -221.03040 5.11161 2.09333 -220.82176 489.61484
7260.0000 -226.18866 -220.85861 5.33005 2.06592 -221.36796 456.80229
7265.0000 -225.32069 -220.23576 5.08493 2.10039 -220.68084 478.67188
7270.0000 -225.71244 -219.75060 5.96184 2.11947 -220.30051 468.59356
7275.0000 -226.49809 -220.80708 5.69101 2.15598 -219.57274 484.76620
7280.0000 -226.67379 -220.54507 6.12872 2.10166 -220.65567 469.55819
7285.0000 -226.46914 -220.59891 5.87023 2.12484 -220.19358 500.49398
7290.0000 -225.87103 -219.12120 6.74983 2.12428 -220.20470 499.80398
7295.0000 -225.57368 -219.98093 5.59276 2.13975 -219.89636 501.81767
7300.0000 -226.28744 -220.30526 5.98217 2.11836 -220.32272 491.50886
7305.0000 -226.54415 -220.85527 5.68888 2.11189 -220.45174 504.82568
7310.0000 -226.61655 -221.41962 5.19694 2.07839 -221.11953 496.12015
7315.0000 -226.35862 -220.65554 5.70308 2.08644 -220.95907 502.24939
7320.0000 -226.60579 -221.51999 5.08579 2.08115 -221.06440 499.36134
7325.0000 -227.07492 -221.69209 5.38283 2.03761 -221.93234 470.62728
7330.0000 -227.68116 -222.56896 5.11220 2.01496 -222.38395 455.02191
7335.0000 -228.18554 -223.40704 4.77850 2.00172 -222.64775 442.14539
7340.0000 -227.39859 -222.29605 5.10254 1.99691 -222.74376 442.15147
7345.0000 -227.27290 -221.00906 6.26383 2.05070 -221.67137 482.86783
7350.0000 -227.02634 -222.02729 4.99905 2.05827 -221.52059 477.96959
7355.0000 -227.74883 -221.60514 6.14369 2.06204 -221.44536 481.56293
7360.0000 -226.51563 -220.49825 6.01737 2.05811 -221.52380 486.62852
7365.0000 -227.58416 -222.61449 4.96967 2.02102 -222.26308 457.07678
7370.0000 -227.94275 -222.29241 5.65033 1.97906 -223.09955 419.68288
7375.0000 -227.29307 -221.77669 5.51639 2.02600 -222.16381 467.90250
7380.0000 -227.41627 -221.92851 5.48777 2.02010 -222.28152 453.98203
7385.0000 -226.39793 -221.07239 5.32554 2.05427 -221.60036 472.48376
7390.0000 -226.43009 -220.29216 6.13793 2.08483 -220.99107 486.31666
7395.0000 -225.25775 -219.98880 5.26896 2.11979 -220.29419 492.24711
7400.0000 -225.96987 -219.87730 6.09257 2.11075 -220.47447 499.09976
7405.0000 -226.28359 -220.68083 5.60277 2.11140 -220.46146 489.53570
7410.0000 -226.27860 -221.92405 4.35455 2.08345 -221.01859 467.13674
7415.0000 -226.58848 -220.18153 6.40694 2.07677 -221.15183 469.37093
7420.0000 -225.91553 -220.17733 5.73819 2.12769 -220.13668 499.27287
7425.0000 -227.41260 -221.13227 6.28033 2.09667 -220.75505 477.16883
7430.0000 -227.20186 -221.49464 5.70721 2.07071 -221.27262 494.05760
7435.0000 -227.74789 -221.46823 6.27966 2.03807 -221.92331 465.53816
7440.0000 -226.65482 -220.86125 5.79357 2.05850 -221.51598 489.58684
7445.0000 -228.14280 -222.38753 5.75527 2.07339 -221.21907 506.53778
7450.0000 -227.51979 -221.45550 6.06429 2.03503 -221.98379 477.07260
7455.0000 -227.07856 -222.53357 4.54500 2.01656 -222.35202 452.98284
7460.0000 -226.89836 -222.25967 4.63868 2.03689 -221.94665 472.59654
7465.0000 -226.86992 -221.72395 5.14597 2.04570 -221.77114 488.52634
7470.0000 -227.49917 -223.01983 4.47935 2.03002 -222.08367 470.69195
7475.0000 -227.04357 -222.10789 4.93568 2.03962 -221.89237 485.15267
7480.0000 -227.68334 -222.06505 5.61829 2.02544 -222.17502 463.88535
7485.0000 -226.78007 -222.05193 4.72815 2.03492 -221.98600 488.38200
7490.0000 -228.25702 -223.62591 4.63111 1.99912 -222.69966 456.22484
7495.0000 -227.85291 -223.04383 4.80908 1.98817 -222.91793 447.45102
7500.0000 -228.18569 -222.27557 5.91012 2.02826 -222.11874 477.75987
FREEZING PROCESS: loop number 31 T-loop= 454.00000000000000
main_MD> interactions number 31 at Temperature= 454.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06860 -4.52006 4.07373
force_rgl> df(natom) 0.08044 1.54791 -1.20129
7505.0000 -228.62116 -222.44435 6.17680 2.00017 -222.67865 464.04120
7510.0000 -228.08978 -222.61830 5.47149 2.01517 -222.37961 471.75629
7515.0000 -227.96586 -222.81343 5.15244 2.00202 -222.64182 456.49996
7520.0000 -228.02818 -222.21939 5.80879 2.00476 -222.58717 456.93959
7525.0000 -227.89551 -223.70820 4.18731 1.99060 -222.86954 447.12194
7530.0000 -228.12670 -223.14435 4.98235 1.96132 -223.45305 423.60915
7535.0000 -227.70487 -221.29873 6.40613 2.02737 -222.13650 476.31993
7540.0000 -228.05567 -221.56568 6.48999 2.06137 -221.45882 505.43458
7545.0000 -228.40790 -222.68031 5.72759 2.02294 -222.22485 480.10682
7550.0000 -228.72848 -223.12137 5.60711 1.99377 -222.80620 451.29180
7555.0000 -228.85145 -223.50021 5.35124 1.95951 -223.48925 422.95955
7560.0000 -227.93496 -223.04263 4.89233 2.00227 -222.63689 450.96304
7565.0000 -228.33387 -222.65269 5.68118 2.01562 -222.37069 461.11328
7570.0000 -227.75781 -223.06328 4.69454 2.00006 -222.68093 452.64396
7575.0000 -228.34323 -223.53372 4.80951 1.96994 -223.28134 423.04570
7580.0000 -228.64260 -222.65352 5.98909 1.98786 -222.92405 447.13016
7585.0000 -228.20797 -223.08461 5.12337 2.00286 -222.62506 459.04971
7590.0000 -227.76189 -223.23899 4.52290 1.98529 -222.97528 440.34738
7595.0000 -227.83669 -222.21866 5.61803 1.99189 -222.84380 453.26122
7600.0000 -228.22611 -222.58186 5.64425 2.04149 -221.85496 491.26013
7605.0000 -228.29609 -222.89271 5.40338 1.99423 -222.79711 455.87668
7610.0000 -228.37184 -222.84191 5.52993 1.99608 -222.76028 450.81380
7615.0000 -227.71320 -222.63139 5.08181 2.00402 -222.60205 456.60808
7620.0000 -228.08376 -222.77098 5.31278 1.98619 -222.95745 441.06257
7625.0000 -227.18089 -221.08885 6.09204 2.01299 -222.42315 466.41912
7630.0000 -227.16287 -221.45861 5.70426 2.04989 -221.68764 486.68759
7635.0000 -228.41705 -223.05604 5.36101 2.02695 -222.14496 471.13596
7640.0000 -228.26954 -223.36865 4.90089 1.96817 -223.31658 431.20524
7645.0000 -228.44839 -223.97186 4.47653 1.95711 -223.53715 422.18719
7650.0000 -228.04975 -223.07096 4.97879 1.95120 -223.65488 415.19291
7655.0000 -228.38060 -222.77175 5.60885 1.98226 -223.03566 435.75293
7660.0000 -227.51246 -222.12045 5.39201 2.02836 -222.11678 471.07915
7665.0000 -228.44072 -222.86961 5.57111 2.00211 -222.64012 457.30880
7670.0000 -227.56772 -222.60026 4.96746 1.97513 -223.17790 433.24073
7675.0000 -227.70468 -222.19361 5.51108 2.01321 -222.41879 462.85886
7680.0000 -226.83524 -221.71141 5.12383 2.04312 -221.82250 481.19291
7685.0000 -227.13395 -221.86909 5.26485 2.03425 -221.99936 485.45930
7690.0000 -228.16210 -223.33369 4.82841 1.99744 -222.73312 448.55348
7695.0000 -227.48885 -222.60742 4.88142 1.97209 -223.23848 434.07248
7700.0000 -228.14176 -222.04249 6.09927 2.02290 -222.22558 460.09172
7705.0000 -226.89979 -221.96857 4.93122 2.04550 -221.77504 482.32586
7710.0000 -226.89628 -221.12343 5.77285 2.06809 -221.32473 500.38074
7715.0000 -228.21076 -223.03365 5.17711 2.01081 -222.46659 445.07774
7720.0000 -228.29829 -223.47910 4.81919 1.99414 -222.79885 434.91464
7725.0000 -227.37582 -222.40118 4.97465 1.98338 -223.01344 428.97758
7730.0000 -228.16628 -223.22929 4.93698 1.98952 -222.89095 434.62653
7735.0000 -227.59366 -222.27287 5.32079 1.99723 -222.73723 434.96363
7740.0000 -227.78582 -223.40984 4.37598 2.01066 -222.46963 446.41759
7745.0000 -227.65296 -223.06514 4.58782 1.97297 -223.22100 420.86767
7750.0000 -226.66549 -221.50023 5.16526 2.00658 -222.55086 446.78125
FREEZING PROCESS: loop number 32 T-loop= 429.00000000000000
main_MD> interactions number 32 at Temperature= 429.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11002 -1.71566 1.54795
force_rgl> df(natom) 2.47281 -0.86834 3.37569
7755.0000 -227.81307 -222.86503 4.94804 2.05156 -221.65429 482.69372
7760.0000 -228.81030 -222.96495 5.84535 2.00533 -222.57589 458.88493
7765.0000 -227.66053 -222.76022 4.90031 1.98524 -222.97638 445.15017
7770.0000 -228.58248 -224.04856 4.53393 1.96966 -223.28692 429.67545
7775.0000 -228.59709 -223.60955 4.98754 1.93253 -224.02695 405.06499
7780.0000 -228.21156 -223.05128 5.16028 1.96484 -223.38294 425.08041
7785.0000 -228.31957 -223.78732 4.53224 1.96646 -223.35069 432.61443
7790.0000 -228.32561 -223.73862 4.58700 1.94096 -223.85894 406.91224
7795.0000 -228.96968 -224.45324 4.51644 1.92176 -224.24173 393.12021
7800.0000 -229.06267 -224.22932 4.83336 1.94241 -223.83018 393.24661
7805.0000 -227.38264 -222.13403 5.24861 1.96571 -223.36561 416.65926
7810.0000 -228.68676 -222.98546 5.70130 1.99159 -222.84983 446.54607
7815.0000 -227.76272 -222.80485 4.95787 1.96792 -223.32167 439.78181
7820.0000 -227.17530 -222.00401 5.17129 2.02268 -222.22992 471.97064
7825.0000 -228.02053 -222.94689 5.07364 2.01114 -222.46007 472.87352
7830.0000 -228.53467 -223.72208 4.81259 1.96566 -223.36656 437.60373
7835.0000 -229.08466 -224.34296 4.74170 1.90851 -224.50591 396.66364
7840.0000 -229.49898 -224.25660 5.24238 1.92406 -224.19580 411.58081
7845.0000 -228.67929 -224.05434 4.62495 1.91813 -224.31409 401.58794
7850.0000 -228.59880 -223.24316 5.35563 1.95889 -223.50152 435.69806
7855.0000 -228.12499 -222.64128 5.48371 1.98739 -222.93339 454.89655
7860.0000 -227.88225 -223.46403 4.41822 1.97498 -223.18085 439.26321
7865.0000 -228.71408 -223.55215 5.16193 1.96277 -223.42429 436.43021
7870.0000 -227.91703 -222.35332 5.56371 1.98367 -223.00759 440.99114
7875.0000 -229.06291 -224.22299 4.83992 1.97072 -223.26574 440.66283
7880.0000 -227.98259 -222.62181 5.36078 1.95073 -223.66430 420.75889
7885.0000 -228.14097 -223.04058 5.10039 1.99273 -222.82698 449.41467
7890.0000 -227.70751 -222.60357 5.10394 2.00312 -222.61995 451.93635
7895.0000 -228.56776 -223.91278 4.65498 1.98874 -222.90665 449.91543
7900.0000 -228.38309 -223.51795 4.86514 1.95213 -223.63626 429.60864
7905.0000 -228.93046 -223.08716 5.84329 1.97937 -223.09332 456.72338
7910.0000 -228.95397 -223.63218 5.32180 1.96714 -223.33705 441.94710
7915.0000 -227.93145 -222.01356 5.91789 1.99343 -222.81303 466.85808
7920.0000 -228.52300 -223.65634 4.86666 1.97042 -223.27174 444.22363
7925.0000 -228.37411 -222.67836 5.69575 1.96794 -223.32125 451.25281
7930.0000 -228.14556 -222.65687 5.48869 2.00061 -222.66999 475.26236
7935.0000 -228.81832 -223.53530 5.28301 1.97278 -223.22476 452.70901
7940.0000 -227.47197 -222.68000 4.79197 1.98800 -222.92130 459.49684
7945.0000 -227.86874 -222.55941 5.30933 1.99167 -222.84825 451.53105
7950.0000 -227.84414 -221.76704 6.07710 2.01110 -222.46079 469.05155
7955.0000 -228.54874 -222.78958 5.75916 2.00719 -222.53870 470.18066
7960.0000 -227.56991 -222.59145 4.97846 1.96295 -223.42066 444.21978
7965.0000 -228.32114 -223.61493 4.70621 1.95109 -223.65714 439.49618
7970.0000 -229.16843 -224.09364 5.07479 1.94394 -223.79961 436.76605
7975.0000 -229.31593 -224.58819 4.72774 1.93487 -223.98036 430.24675
7980.0000 -229.56830 -224.67004 4.89827 1.90412 -224.59330 407.88099
7985.0000 -228.89379 -223.92396 4.96983 1.89664 -224.74257 401.28850
7990.0000 -228.58375 -222.99409 5.58966 1.94616 -223.75530 423.75224
7995.0000 -228.86125 -223.41175 5.44950 1.97048 -223.27058 459.18169
8000.0000 -229.07441 -224.37305 4.70136 1.92629 -224.15140 422.44406
FREEZING PROCESS: loop number 33 T-loop= 404.00000000000000
main_MD> interactions number 33 at Temperature= 404.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.13876 -1.77180 0.81154
force_rgl> df(natom) -0.30726 0.31374 -0.17017
8005.0000 -230.23203 -225.59989 4.63215 1.88747 -224.92527 390.54408
8010.0000 -229.54800 -224.81871 4.72929 1.87716 -225.13075 384.28210
8015.0000 -229.10066 -224.11055 4.99011 1.90454 -224.58508 407.50321
8020.0000 -228.94448 -224.17577 4.76871 1.90752 -224.52550 407.10515
8025.0000 -229.18117 -225.01020 4.17097 1.91828 -224.31109 412.20163
8030.0000 -229.92659 -225.74705 4.17954 1.85981 -225.47665 368.13410
8035.0000 -229.56319 -224.93536 4.62783 1.87049 -225.26381 379.63375
8040.0000 -229.98856 -225.51300 4.47557 1.85751 -225.52256 365.42129
8045.0000 -229.06639 -224.42835 4.63804 1.88471 -224.98021 392.37563
8050.0000 -229.32116 -224.78897 4.53219 1.88325 -225.00940 387.02691
8055.0000 -229.16160 -225.00752 4.15408 1.89537 -224.76779 396.04516
8060.0000 -229.36586 -224.99310 4.37276 1.89478 -224.77963 400.02972
8065.0000 -229.18973 -224.95878 4.23095 1.90418 -224.59209 403.14662
8070.0000 -229.50809 -224.57771 4.93038 1.89793 -224.71677 400.24426
8075.0000 -229.16197 -224.23900 4.92297 1.92426 -224.19184 420.23352
8080.0000 -229.41256 -224.75520 4.65737 1.91626 -224.35128 416.10498
8085.0000 -228.86783 -223.87774 4.99009 1.94015 -223.87521 436.21834
8090.0000 -229.41492 -224.48204 4.93288 1.91671 -224.34240 415.18843
8095.0000 -228.85482 -224.72258 4.13224 1.90442 -224.58745 403.15414
8100.0000 -229.34331 -224.44225 4.90106 1.89466 -224.78188 398.05272
8105.0000 -228.70562 -224.20438 4.50125 1.92963 -224.08483 422.63911
8110.0000 -229.46783 -225.32203 4.14580 1.89329 -224.80928 396.58323
8115.0000 -229.43117 -225.59082 3.84035 1.86187 -225.43557 371.13715
8120.0000 -229.53001 -224.58766 4.94235 1.89064 -224.86216 394.44958
8125.0000 -228.25968 -223.84513 4.41455 1.94689 -223.74080 433.33749
8130.0000 -228.08233 -223.28917 4.79316 1.96238 -223.43204 449.31911
8135.0000 -228.88034 -223.56664 5.31370 1.96330 -223.41371 449.79076
8140.0000 -229.68646 -225.19329 4.49317 1.91805 -224.31572 413.73170
8145.0000 -228.85053 -224.87028 3.98024 1.88154 -225.04341 382.72208
8150.0000 -228.90935 -224.58346 4.32589 1.89488 -224.77755 394.04270
8155.0000 -229.90907 -225.01376 4.89531 1.90396 -224.59661 403.16204
8160.0000 -229.29489 -224.97647 4.31842 1.89813 -224.71275 400.12992
8165.0000 -229.23869 -224.68304 4.55565 1.89478 -224.77953 397.69098
8170.0000 -229.91020 -224.96438 4.94581 1.89814 -224.71262 402.70855
8175.0000 -229.73428 -224.26816 5.46612 1.91710 -224.33458 418.13439
8180.0000 -227.79522 -223.03828 4.75694 1.97024 -223.27538 447.71402
8185.0000 -229.08116 -224.20036 4.88080 1.94101 -223.85803 434.29720
8190.0000 -229.57755 -225.11839 4.45916 1.89564 -224.76237 396.37917
8195.0000 -229.64110 -224.93659 4.70450 1.86913 -225.29090 376.01760
8200.0000 -228.77563 -224.79585 3.97978 1.91380 -224.40031 411.15689
8205.0000 -229.69264 -225.58092 4.11172 1.89873 -224.70085 400.66256
8210.0000 -229.24518 -224.84196 4.40322 1.86685 -225.33627 371.36298
8215.0000 -229.27166 -225.42817 3.84348 1.86419 -225.38929 372.74902
8220.0000 -229.28834 -225.21927 4.06908 1.86946 -225.28436 374.02702
8225.0000 -229.98212 -225.49201 4.49011 1.87256 -225.22253 375.26446
8230.0000 -229.66895 -225.39359 4.27536 1.85049 -225.66243 361.35337
8235.0000 -228.15610 -224.06634 4.08976 1.92051 -224.26662 414.91796
8240.0000 -228.13973 -223.21598 4.92375 1.95003 -223.67826 436.05339
8245.0000 -228.98466 -223.69227 5.29239 1.94873 -223.70418 436.49385
8250.0000 -229.11942 -224.58031 4.53911 1.92619 -224.15349 419.78594
FREEZING PROCESS: loop number 34 T-loop= 379.00000000000000
main_MD> interactions number 34 at Temperature= 379.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.39788 -2.76272 1.65166
force_rgl> df(natom) -0.34987 0.73577 0.62918
8255.0000 -229.43004 -224.91940 4.51064 1.89234 -224.82814 395.04485
8260.0000 -229.28459 -225.07836 4.20624 1.89944 -224.68661 409.02818
8265.0000 -229.66540 -225.57452 4.09088 1.87627 -225.14846 379.86200
8270.0000 -229.23936 -225.19171 4.04765 1.86815 -225.31046 373.39446
8275.0000 -229.09782 -224.52275 4.57506 1.88256 -225.02322 387.51011
8280.0000 -229.21341 -225.08711 4.12631 1.89929 -224.68971 401.73730
8285.0000 -229.40425 -225.23448 4.16977 1.86734 -225.32653 371.47969
8290.0000 -229.92560 -225.61739 4.30821 1.87360 -225.20165 379.40990
8295.0000 -230.11823 -225.69543 4.42280 1.84970 -225.67823 361.71656
8300.0000 -229.50328 -225.48519 4.01810 1.85413 -225.58981 365.80172
8305.0000 -229.70762 -225.40277 4.30485 1.84590 -225.75383 354.75861
8310.0000 -229.71572 -225.41362 4.30210 1.87745 -225.12501 372.18857
8315.0000 -230.18908 -226.34777 3.84131 1.82779 -226.11487 345.11097
8320.0000 -229.72196 -225.74258 3.97939 1.84746 -225.72274 363.20836
8325.0000 -230.49977 -225.92181 4.57796 1.84590 -225.75393 361.08138
8330.0000 -229.80786 -225.80398 4.00389 1.84094 -225.85275 351.78776
8335.0000 -229.90443 -225.56463 4.33980 1.82929 -226.08497 345.25536
8340.0000 -228.86814 -225.15850 3.70965 1.85874 -225.49791 370.17331
8345.0000 -229.17843 -225.19933 3.97910 1.85530 -225.56645 365.05148
8350.0000 -230.25186 -225.81019 4.44167 1.85660 -225.54072 366.58690
8355.0000 -229.36667 -225.42308 3.94359 1.86186 -225.43588 372.15682
8360.0000 -228.96171 -224.81638 4.14532 1.87961 -225.08199 387.13131
8365.0000 -228.98724 -224.72402 4.26322 1.88609 -224.95273 394.44625
8370.0000 -229.45424 -224.72170 4.73254 1.90765 -224.52298 409.09506
8375.0000 -229.01199 -223.59344 5.41855 1.91746 -224.32754 409.38968
8380.0000 -228.35025 -223.68304 4.66721 1.94640 -223.75066 435.61345
8385.0000 -229.39972 -224.95423 4.44548 1.87082 -225.25712 379.44925
8390.0000 -229.41872 -224.09386 5.32486 1.89008 -224.87332 392.81596
8395.0000 -229.51997 -225.09332 4.42664 1.89768 -224.72173 398.92547
8400.0000 -229.57504 -224.98664 4.58840 1.87542 -225.16557 382.67814
8405.0000 -229.64331 -225.00140 4.64191 1.87808 -225.11241 386.36621
8410.0000 -229.60951 -225.50835 4.10115 1.88903 -224.89427 392.21547
8415.0000 -230.43170 -226.59510 3.83660 1.83437 -225.98386 350.06175
8420.0000 -230.22516 -226.52744 3.69772 1.80861 -226.49732 329.21994
8425.0000 -229.51122 -225.17982 4.33140 1.83173 -226.03647 347.11763
8430.0000 -229.96282 -225.61397 4.34885 1.84630 -225.74592 362.16901
8435.0000 -230.25947 -226.37859 3.88089 1.83872 -225.89703 353.75051
8440.0000 -229.79667 -225.48857 4.30810 1.83978 -225.87587 353.40976
8445.0000 -229.87053 -225.90616 3.96437 1.86398 -225.39351 372.40029
8450.0000 -229.79082 -226.05729 3.73353 1.85328 -225.60676 362.73231
8455.0000 -230.10823 -226.28063 3.82761 1.81845 -226.30102 336.81241
8460.0000 -229.64328 -224.58484 5.05844 1.86420 -225.38906 373.64093
8465.0000 -229.77373 -224.97299 4.80073 1.88429 -224.98866 389.50115
8470.0000 -229.23459 -224.65443 4.58016 1.90038 -224.66797 400.09825
8475.0000 -229.43331 -224.99946 4.43385 1.89103 -224.85439 393.21913
8480.0000 -229.62221 -225.13942 4.48279 1.87605 -225.15286 380.34765
8485.0000 -229.51816 -225.49632 4.02184 1.88524 -224.96968 389.25176
8490.0000 -229.59400 -225.52871 4.06528 1.85772 -225.51838 367.71618
8495.0000 -229.34239 -224.74174 4.60065 1.89104 -224.85417 395.42582
8500.0000 -229.54330 -224.76396 4.77933 1.88320 -225.01043 385.53517
FREEZING PROCESS: loop number 35 T-loop= 354.00000000000000
main_MD> interactions number 35 at Temperature= 354.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86628 0.48832 -1.34408
force_rgl> df(natom) -0.95968 0.56848 -1.64023
8505.0000 -229.64183 -225.67907 3.96276 1.88084 -225.05740 384.18657
8510.0000 -229.68999 -225.75518 3.93481 1.86287 -225.41567 371.05977
8515.0000 -230.69703 -226.68394 4.01310 1.82158 -226.23866 340.66127
8520.0000 -230.65306 -226.58318 4.06988 1.78924 -226.88340 314.29453
8525.0000 -230.03559 -226.08086 3.95473 1.82947 -226.08144 345.38163
8530.0000 -230.17030 -226.15387 4.01643 1.83355 -226.00011 348.01618
8535.0000 -229.57145 -225.91402 3.65744 1.82285 -226.21343 340.68358
8540.0000 -229.73555 -225.72189 4.01366 1.84573 -225.75723 357.50013
8545.0000 -230.05771 -226.93992 3.11779 1.81015 -226.46659 327.62996
8550.0000 -230.24966 -226.55195 3.69771 1.80606 -226.54817 327.06494
8555.0000 -230.15697 -226.36815 3.78882 1.80432 -226.58277 325.99104
8560.0000 -230.29645 -226.17893 4.11753 1.81384 -226.39303 333.65338
8565.0000 -229.83532 -226.02431 3.81100 1.81883 -226.29357 339.51509
8570.0000 -229.57419 -225.79810 3.77609 1.82565 -226.15757 341.74662
8575.0000 -230.29658 -225.79247 4.50411 1.82928 -226.08518 343.33702
8580.0000 -230.24940 -226.33410 3.91531 1.85684 -225.53589 366.59920
8585.0000 -230.10492 -226.65228 3.45264 1.80652 -226.53899 325.80657
8590.0000 -230.45575 -226.62714 3.82861 1.79865 -226.69588 322.51700
8595.0000 -230.78758 -226.17847 4.60912 1.81143 -226.44110 332.84917
8600.0000 -229.55346 -225.45082 4.10264 1.85164 -225.63942 365.09621
8605.0000 -229.91157 -225.16496 4.74661 1.87097 -225.25424 376.32798
8610.0000 -230.24852 -226.94014 3.30838 1.83166 -226.03780 348.51722
8615.0000 -229.38517 -225.53098 3.85418 1.83372 -225.99676 349.57771
8620.0000 -230.41675 -226.45329 3.96346 1.83210 -226.02907 345.24595
8625.0000 -230.50950 -226.13378 4.37572 1.81968 -226.27660 332.71795
8630.0000 -230.35169 -225.93544 4.41625 1.83521 -225.96697 350.40874
8635.0000 -230.74659 -226.26455 4.48205 1.85160 -225.64022 361.11605
8640.0000 -229.83474 -225.23131 4.60343 1.83958 -225.87993 356.65424
8645.0000 -229.23385 -225.05424 4.17962 1.86584 -225.35647 372.56916
8650.0000 -230.48328 -225.99284 4.49044 1.85862 -225.50032 368.70279
8655.0000 -230.36308 -226.20370 4.15938 1.81803 -226.30942 336.27427
8660.0000 -229.50712 -225.69148 3.81563 1.83387 -225.99367 348.67943
8665.0000 -229.69595 -225.80303 3.89292 1.86505 -225.37216 374.35999
8670.0000 -229.42485 -226.14251 3.28233 1.84004 -225.87071 355.52838
8675.0000 -229.77844 -225.70347 4.07497 1.83854 -225.90074 351.49990
8680.0000 -230.03055 -226.06651 3.96404 1.83586 -225.95397 350.97038
8685.0000 -230.24624 -226.59125 3.65499 1.81112 -226.44730 331.13822
8690.0000 -230.25490 -226.51377 3.74113 1.82145 -226.24133 337.34901
8695.0000 -229.23844 -225.37688 3.86156 1.84901 -225.69196 360.62971
8700.0000 -230.01861 -226.42313 3.59547 1.82327 -226.20509 341.46998
8705.0000 -229.42108 -225.71271 3.70837 1.84965 -225.67927 362.58403
8710.0000 -229.99613 -225.53199 4.46414 1.84723 -225.72740 358.99803
8715.0000 -230.78702 -225.89269 4.89432 1.86548 -225.36363 370.47763
8720.0000 -229.77094 -226.08808 3.68286 1.84148 -225.84211 355.14034
8725.0000 -229.91794 -225.68449 4.23345 1.84313 -225.80916 355.55088
8730.0000 -230.25320 -225.84791 4.40529 1.83607 -225.94991 348.71834
8735.0000 -229.64794 -225.92273 3.72521 1.85461 -225.58036 363.54734
8740.0000 -229.11236 -225.32766 3.78471 1.83208 -226.02946 347.13979
8745.0000 -229.94534 -226.49804 3.44730 1.84844 -225.70323 358.91645
8750.0000 -229.65032 -225.67234 3.97798 1.84285 -225.81475 356.47535
FREEZING PROCESS: loop number 36 T-loop= 329.00000000000000
main_MD> interactions number 36 at Temperature= 329.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.27297 -1.42594 3.14696
force_rgl> df(natom) -0.58312 3.47005 1.74185
8755.0000 -230.12417 -226.11539 4.00878 1.85052 -225.66174 362.77195
8760.0000 -229.92285 -226.93329 2.98956 1.80056 -226.65777 321.07583
8765.0000 -230.70321 -227.00440 3.69881 1.79257 -226.81709 315.59535
8770.0000 -230.39619 -226.15892 4.23727 1.81813 -226.30756 337.76769
8775.0000 -230.07734 -226.52278 3.55456 1.81079 -226.45390 331.13337
8780.0000 -231.25791 -227.57831 3.67960 1.78466 -226.97472 311.45179
8785.0000 -229.90285 -226.25043 3.65242 1.77701 -227.12720 306.17612
8790.0000 -230.01268 -226.24785 3.76484 1.81110 -226.44762 332.87418
8795.0000 -230.18442 -226.87554 3.30888 1.79784 -226.71204 321.34298
8800.0000 -230.65804 -226.77111 3.88693 1.80692 -226.53095 327.53263
8805.0000 -230.69213 -227.00823 3.68390 1.80323 -226.60448 322.23193
8810.0000 -230.65312 -227.15110 3.50202 1.78424 -226.98308 308.61123
8815.0000 -230.37521 -226.72897 3.64624 1.81554 -226.35906 334.22323
8820.0000 -230.77650 -227.40239 3.37411 1.77343 -227.19853 300.45936
8825.0000 -230.63377 -226.97976 3.65401 1.76382 -227.39004 292.14328
8830.0000 -230.34616 -226.21424 4.13192 1.81056 -226.45843 333.00749
8835.0000 -230.28257 -226.69590 3.58666 1.81648 -226.34040 340.11680
8840.0000 -230.91759 -227.29676 3.62083 1.78963 -226.87561 314.01182
8845.0000 -230.97836 -227.33651 3.64185 1.77811 -227.10521 305.79520
8850.0000 -230.53731 -226.79597 3.74134 1.80473 -226.57468 325.51561
8855.0000 -229.97425 -225.83610 4.13815 1.81395 -226.39087 334.65798
8860.0000 -230.07883 -225.97635 4.10248 1.84032 -225.86516 353.25004
8865.0000 -230.27636 -226.42000 3.85636 1.82326 -226.20524 340.88402
8870.0000 -229.50371 -225.40562 4.09808 1.85457 -225.58119 367.72688
8875.0000 -229.55788 -226.15701 3.40086 1.83740 -225.92329 350.97412
8880.0000 -229.80091 -226.79664 3.00427 1.80141 -226.64082 324.26677
8885.0000 -230.47404 -226.43762 4.03642 1.78362 -226.99548 309.53927
8890.0000 -230.02707 -225.73576 4.29131 1.81735 -226.32300 336.40154
8895.0000 -229.56600 -225.21634 4.34966 1.85409 -225.59063 363.63185
8900.0000 -230.19410 -226.23108 3.96302 1.84389 -225.79404 353.47756
8905.0000 -230.48321 -227.10843 3.37478 1.80688 -226.53175 327.45261
8910.0000 -230.35854 -227.07180 3.28673 1.79780 -226.71279 321.00330
8915.0000 -230.18353 -226.69828 3.48526 1.80103 -226.64841 324.18093
8920.0000 -230.39760 -226.67484 3.72276 1.80969 -226.47572 327.82006
8925.0000 -230.59697 -226.60884 3.98813 1.79605 -226.74772 317.91329
8930.0000 -229.76697 -226.11025 3.65672 1.82724 -226.12594 343.46172
8935.0000 -230.06190 -225.53586 4.52605 1.82875 -226.09578 342.85284
8940.0000 -230.56959 -226.66272 3.90686 1.83346 -226.00189 348.68785
8945.0000 -231.00862 -226.74962 4.25901 1.79476 -226.77336 316.26804
8950.0000 -230.71974 -226.79788 3.92186 1.79030 -226.86227 317.20670
8955.0000 -230.25632 -226.21080 4.04552 1.81431 -226.38371 334.11129
8960.0000 -230.23144 -226.76687 3.46457 1.82299 -226.21059 338.59653
8965.0000 -230.25932 -226.06514 4.19418 1.81182 -226.43328 331.60701
8970.0000 -229.57482 -225.64327 3.93155 1.85712 -225.53021 367.74863
8975.0000 -230.33622 -226.52930 3.80692 1.82316 -226.20722 339.45798
8980.0000 -230.27560 -226.38941 3.88619 1.80229 -226.62317 326.47098
8985.0000 -230.50115 -226.40656 4.09459 1.81487 -226.37239 332.61771
8990.0000 -229.93940 -225.64285 4.29655 1.82913 -226.08824 343.09401
8995.0000 -229.74114 -225.98215 3.75899 1.83870 -225.89749 353.88012
9000.0000 -230.10344 -226.76937 3.33407 1.81526 -226.36466 333.62487
FREEZING PROCESS: loop number 37 T-loop= 304.00000000000000
main_MD> interactions number 37 at Temperature= 304.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.91604 -0.86910 -1.04456
force_rgl> df(natom) -0.53054 0.17423 0.46720
9005.0000 -230.47167 -226.73036 3.74131 1.79102 -226.84783 314.63927
9010.0000 -230.48794 -226.88504 3.60290 1.78362 -226.99549 308.54638
9015.0000 -231.23469 -227.43242 3.80227 1.77463 -227.17464 300.41199
9020.0000 -230.36106 -227.02798 3.33308 1.77908 -227.08585 306.54039
9025.0000 -230.16150 -226.53166 3.62983 1.79322 -226.80409 315.75743
9030.0000 -230.81227 -227.31784 3.49443 1.78214 -227.02495 307.94047
9035.0000 -229.90205 -226.52079 3.38126 1.77758 -227.11590 304.80759
9040.0000 -230.98646 -227.16119 3.82527 1.78690 -226.92993 314.08735
9045.0000 -230.49808 -226.92962 3.56846 1.79078 -226.85268 313.14783
9050.0000 -231.16443 -227.63771 3.52672 1.77200 -227.22710 300.70533
9055.0000 -231.11319 -227.47182 3.64137 1.76314 -227.40359 291.75797
9060.0000 -230.32234 -226.60861 3.71373 1.77947 -227.07804 306.69524
9065.0000 -231.15851 -227.35753 3.80097 1.78595 -226.94889 313.51030
9070.0000 -230.25041 -226.22357 4.02683 1.79657 -226.73722 319.35792
9075.0000 -230.21890 -226.22272 3.99618 1.82162 -226.23784 342.88395
9080.0000 -230.59668 -226.79319 3.80349 1.81566 -226.35682 337.40764
9085.0000 -230.51741 -226.74330 3.77411 1.79372 -226.79416 317.36377
9090.0000 -231.14226 -227.66036 3.48191 1.75788 -227.50859 287.75166
9095.0000 -230.72383 -227.55694 3.16689 1.75564 -227.55307 290.69628
9100.0000 -230.13905 -226.37467 3.76438 1.78321 -227.00366 307.31834
9105.0000 -230.23228 -226.65735 3.57493 1.81017 -226.46617 329.89637
9110.0000 -230.26968 -227.25050 3.01917 1.79148 -226.83867 315.97501
9115.0000 -230.18070 -226.50155 3.67915 1.80775 -226.51444 331.00117
9120.0000 -230.55079 -226.67838 3.87241 1.81633 -226.34328 333.11861
9125.0000 -230.37991 -226.63560 3.74431 1.81161 -226.43738 331.43100
9130.0000 -230.40622 -226.54770 3.85852 1.80707 -226.52806 325.12206
9135.0000 -230.24036 -226.93200 3.30835 1.79921 -226.68460 319.69540
9140.0000 -231.00370 -227.89221 3.11149 1.76770 -227.31276 295.18557
9145.0000 -230.67889 -227.33756 3.34133 1.77183 -227.23047 297.70234
9150.0000 -230.71715 -227.09369 3.62346 1.76975 -227.27187 296.21200
9155.0000 -230.83996 -227.45511 3.38485 1.75640 -227.53805 285.19959
9160.0000 -231.10337 -227.99399 3.10938 1.74989 -227.66781 281.06615
9165.0000 -230.27645 -227.07980 3.19665 1.77111 -227.24469 298.81195
9170.0000 -230.69882 -227.68888 3.00994 1.77438 -227.17962 299.84884
9175.0000 -230.68740 -227.37975 3.30765 1.75695 -227.52698 287.02560
9180.0000 -230.74501 -226.93718 3.80783 1.78133 -227.04116 310.00374
9185.0000 -230.63572 -227.21158 3.42414 1.79336 -226.80133 315.84779
9190.0000 -230.79085 -228.12573 2.66512 1.75176 -227.63052 281.22382
9195.0000 -230.53481 -227.73053 2.80428 1.73206 -228.02324 269.56311
9200.0000 -230.86305 -227.71530 3.14775 1.74870 -227.69145 280.73386
9205.0000 -230.41250 -227.00953 3.40297 1.77308 -227.20551 299.32848
9210.0000 -230.23994 -226.27788 3.96206 1.78209 -227.02590 306.16321
9215.0000 -230.95156 -227.25955 3.69201 1.80149 -226.63910 324.84981
9220.0000 -230.46695 -227.25370 3.21325 1.76741 -227.31849 293.53451
9225.0000 -230.70427 -226.97746 3.72681 1.77176 -227.23185 298.54171
9230.0000 -230.64182 -227.04126 3.60056 1.78306 -227.00657 309.85129
9235.0000 -230.36521 -227.00291 3.36230 1.77743 -227.11876 303.52093
9240.0000 -230.38913 -226.78461 3.60452 1.78762 -226.91567 310.64553
9245.0000 -230.90286 -227.52795 3.37491 1.78748 -226.91845 312.11733
9250.0000 -230.24459 -226.60168 3.64291 1.75472 -227.57160 284.72712
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 38.4192779 [s].
main_MD> Deallocating global variables
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