tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_73/freeze.log

1869 lines
184 KiB
Plaintext
Raw Blame History

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_73.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 = 73 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 73 7300
main_MD> Size of nv and nvoiz: 73 7300
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 = 73
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 2.0267181064193427E-002 1.5300750691562164E-003 5.9673131538650108E-002 initial drift of cluster / NP1 for coalescence
init> 0.28036508027035018 0.32398965080012965 0.31455415949450649 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6361711962496946E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.27706 1.15467 1.33952
force_rgl> df(natom) 2.03810 -1.38068 -0.43662
preparo> THERMALIZATION PROCESS AT 1144.1597218008856
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -160.52586185104568 11.783905263245449 -172.30976711429113 6.6475113967938545E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1122.0000000000000
main_MD> interactions number 1 at Temperature= 1122.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.18048 -3.74435 -4.97691
force_rgl> df(natom) 1.28860 1.37992 1.84806
5.0000 -170.27561 -161.00758 9.26803 3.14689 -160.38367 1194.30195
10.0000 -174.63791 -163.07689 11.56102 3.07679 -161.60814 1143.67264
15.0000 -173.24490 -162.50127 10.74363 3.00168 -162.91998 1132.62581
20.0000 -172.66628 -161.53416 11.13212 3.04555 -162.15380 1114.52352
25.0000 -173.59073 -159.67443 13.91630 3.15215 -160.29171 1239.54482
30.0000 -173.91908 -163.73348 10.18559 3.06940 -161.73725 1154.24228
35.0000 -172.58759 -162.89402 9.69358 2.99007 -163.12273 1097.98946
40.0000 -175.06533 -164.22422 10.84111 2.95348 -163.76199 1089.30088
45.0000 -175.27713 -163.97688 11.30025 2.98940 -163.13451 1115.90053
50.0000 -173.97469 -164.38488 9.58981 2.96782 -163.51140 1069.24530
55.0000 -172.80448 -162.20425 10.60023 3.00826 -162.80511 1059.14350
60.0000 -171.50566 -162.01643 9.48922 3.04573 -162.15064 1103.25524
65.0000 -168.85366 -157.29994 11.55372 3.19108 -159.61184 1189.55723
70.0000 -170.95515 -159.73245 11.22270 3.29196 -157.84976 1297.75762
75.0000 -171.14170 -160.06648 11.07523 3.15334 -160.27096 1231.40624
80.0000 -171.29038 -159.01341 12.27697 3.20399 -159.38637 1243.44832
85.0000 -173.52029 -161.86784 11.65244 3.21755 -159.14953 1237.49538
90.0000 -173.11609 -161.25865 11.85744 3.08822 -161.40839 1160.77032
95.0000 -172.28269 -161.21503 11.06766 3.03340 -162.36598 1132.41445
100.0000 -172.13407 -160.50288 11.63120 3.17927 -159.81803 1248.53264
105.0000 -174.03699 -164.36566 9.67133 3.01460 -162.69438 1084.38042
110.0000 -172.88754 -162.04722 10.84032 2.97182 -163.44157 1064.11753
115.0000 -173.23657 -161.27222 11.96435 3.07651 -161.61293 1126.95813
120.0000 -172.77721 -163.46116 9.31605 3.05362 -162.01277 1144.28763
125.0000 -174.41252 -163.27588 11.13664 2.96336 -163.58933 1062.02016
130.0000 -173.52089 -162.36922 11.15167 2.97044 -163.46563 1051.72246
135.0000 -171.64902 -160.73817 10.91086 3.05287 -162.02593 1146.69686
140.0000 -174.59634 -164.30301 10.29333 3.01119 -162.75400 1118.33916
145.0000 -174.36455 -164.15531 10.20924 2.94684 -163.87795 1112.31193
150.0000 -172.68816 -163.12659 9.56156 2.97983 -163.30162 1096.53846
155.0000 -175.72011 -163.41530 12.30481 2.93587 -164.06944 1064.73304
160.0000 -172.14455 -161.66041 10.48414 3.02780 -162.46373 1120.24831
165.0000 -174.33672 -163.61910 10.71761 3.00358 -162.88689 1076.38197
170.0000 -172.56991 -160.66900 11.90092 3.06991 -161.72833 1147.87481
175.0000 -174.79839 -162.09015 12.70824 3.09616 -161.26973 1206.87347
180.0000 -174.21853 -164.28266 9.93587 2.98883 -163.14455 1089.13983
185.0000 -174.97408 -163.85085 11.12323 2.95832 -163.67742 1107.53464
190.0000 -171.35437 -161.11326 10.24111 2.98015 -163.29611 1102.34835
195.0000 -171.12786 -159.25108 11.87678 3.15791 -160.19109 1174.93760
200.0000 -173.69776 -163.35202 10.34574 3.07329 -161.66914 1156.58341
205.0000 -172.28530 -159.65831 12.62699 3.06296 -161.84961 1142.82184
210.0000 -173.83559 -163.59932 10.23627 3.12123 -160.83194 1171.69624
215.0000 -172.81932 -161.48022 11.33911 3.12837 -160.70720 1199.38238
220.0000 -170.62240 -160.34015 10.28225 3.11773 -160.89291 1186.02564
225.0000 -170.90646 -160.22174 10.68472 3.18494 -159.71898 1199.04856
230.0000 -172.39189 -161.72781 10.66408 3.09517 -161.28701 1144.64629
235.0000 -172.62613 -161.51275 11.11338 3.05982 -161.90452 1134.43135
240.0000 -172.57582 -161.25083 11.32499 3.10292 -161.15159 1147.93957
245.0000 -174.50548 -162.92314 11.58235 3.03948 -162.25977 1124.72443
250.0000 -172.08555 -161.03159 11.05396 3.08161 -161.52388 1149.13970
FREEZING PROCESS: loop number 2 T-loop= 1097.0000000000000
main_MD> interactions number 2 at Temperature= 1097.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94497 3.31443 0.32060
force_rgl> df(natom) -2.81421 -0.07222 -1.00807
255.0000 -175.08966 -164.75748 10.33218 2.96341 -163.58843 1072.66752
260.0000 -173.43474 -162.27220 11.16254 3.00923 -162.78808 1127.20853
265.0000 -172.93777 -162.31020 10.62757 2.97070 -163.46122 1033.73245
270.0000 -172.94881 -162.15502 10.79380 3.04391 -162.18244 1155.45613
275.0000 -174.96939 -163.23972 11.72967 2.95273 -163.77499 1073.38038
280.0000 -173.65565 -164.37915 9.27650 2.96219 -163.60981 1082.66312
285.0000 -173.05763 -161.80224 11.25538 2.96811 -163.50647 1072.21539
290.0000 -175.04362 -164.01451 11.02910 2.95552 -163.72622 1075.94042
295.0000 -173.02904 -164.61572 8.41332 2.88346 -164.98499 1021.77045
300.0000 -173.87245 -164.72901 9.14344 2.87987 -165.04765 992.90030
305.0000 -173.90316 -163.92712 9.97604 2.98599 -163.19403 1058.81960
310.0000 -173.25768 -163.56609 9.69159 2.94055 -163.98770 1065.07089
315.0000 -175.01105 -164.86990 10.14115 2.88896 -164.88891 1047.08924
320.0000 -172.85348 -161.42560 11.42788 3.01612 -162.66789 1111.85449
325.0000 -172.71416 -163.14599 9.56817 3.03301 -162.37279 1104.59195
330.0000 -171.71043 -162.64525 9.06518 2.98323 -163.24228 1095.07714
335.0000 -175.15648 -164.89715 10.25933 2.91699 -164.39927 1035.77049
340.0000 -174.46955 -163.03492 11.43463 2.92376 -164.28104 1056.69745
345.0000 -173.39151 -163.25556 10.13595 2.99702 -163.00145 1091.71227
350.0000 -173.64645 -163.07471 10.57174 2.98785 -163.16157 1097.16309
355.0000 -174.72601 -163.45301 11.27299 2.99380 -163.05767 1131.54010
360.0000 -173.57306 -162.76529 10.80777 2.96538 -163.55403 1075.32050
365.0000 -174.95966 -164.65488 10.30478 2.96586 -163.54572 1079.19710
370.0000 -173.67684 -160.76036 12.91648 2.94231 -163.95700 1097.68630
375.0000 -171.52714 -161.05369 10.47345 3.03646 -162.31252 1106.64764
380.0000 -173.73195 -162.44386 11.28809 3.04047 -162.24248 1122.07426
385.0000 -174.29867 -163.42994 10.86874 2.92585 -164.24448 1046.01119
390.0000 -171.02118 -160.29156 10.72962 3.05355 -162.01397 1131.20573
395.0000 -173.51596 -163.73104 9.78492 3.02314 -162.54525 1075.20539
400.0000 -172.06229 -160.37693 11.68536 3.06128 -161.87907 1135.41300
405.0000 -170.63657 -159.85500 10.78157 3.14481 -160.42005 1198.01366
410.0000 -171.56818 -160.61799 10.95020 3.12962 -160.68533 1203.45698
415.0000 -173.44956 -163.75515 9.69441 3.04658 -162.13584 1143.92866
420.0000 -174.08978 -163.60899 10.48079 3.01771 -162.63996 1085.65174
425.0000 -172.68533 -161.99089 10.69444 2.95311 -163.76844 1095.42113
430.0000 -173.80606 -162.60078 11.20528 3.01650 -162.66110 1104.52008
435.0000 -172.59290 -161.36867 11.22423 3.02625 -162.49091 1150.06519
440.0000 -171.91090 -161.49140 10.41950 3.09682 -161.25822 1160.64781
445.0000 -173.54232 -162.39071 11.15161 3.05641 -161.96403 1144.77560
450.0000 -172.08089 -161.97233 10.10856 3.04065 -162.23936 1121.21260
455.0000 -172.92945 -162.10654 10.82291 3.00758 -162.81694 1102.12449
460.0000 -174.48127 -164.02263 10.45864 2.96723 -163.52178 1081.21049
465.0000 -173.63154 -164.32682 9.30472 2.93077 -164.15852 1072.38116
470.0000 -174.63583 -162.99801 11.63782 2.95384 -163.75560 1110.25405
475.0000 -172.93735 -162.82105 10.11631 3.05329 -162.01864 1129.14376
480.0000 -173.92952 -163.53061 10.39891 3.00543 -162.85449 1090.97151
485.0000 -173.19763 -163.68717 9.51047 2.97450 -163.39485 1094.50575
490.0000 -173.60008 -162.88041 10.71966 2.96652 -163.53420 1081.29611
495.0000 -174.92076 -164.81098 10.10978 2.90905 -164.53793 1066.29034
500.0000 -175.46666 -165.33272 10.13394 2.87155 -165.19308 1051.68545
FREEZING PROCESS: loop number 3 T-loop= 1072.0000000000000
main_MD> interactions number 3 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45839 2.68650 -2.86851
force_rgl> df(natom) 2.69851 -3.86630 0.49574
505.0000 -174.64473 -165.21504 9.42969 2.90001 -164.69587 1015.91949
510.0000 -174.39486 -164.27560 10.11927 2.91916 -164.36132 1022.30956
515.0000 -175.23386 -165.31565 9.91820 2.83612 -165.81187 984.36550
520.0000 -173.40358 -164.09726 9.30632 2.89286 -164.82082 1016.96766
525.0000 -173.80689 -162.86718 10.93971 2.96119 -163.62721 1064.76432
530.0000 -173.66765 -163.72407 9.94358 2.98121 -163.27750 1095.45291
535.0000 -175.13136 -165.80241 9.32895 2.97801 -163.33344 1076.81155
540.0000 -174.44187 -164.66216 9.77971 2.87491 -165.13439 1031.76982
545.0000 -175.49991 -165.01866 10.48125 2.88339 -164.98621 996.64167
550.0000 -174.62910 -162.55595 12.07315 2.95371 -163.75783 1073.62542
555.0000 -173.79835 -163.40836 10.38999 2.94556 -163.90028 1062.17232
560.0000 -173.17677 -162.96444 10.21233 2.93514 -164.08236 1065.43173
565.0000 -171.65333 -159.99267 11.66066 3.07274 -161.67879 1164.63399
570.0000 -174.49939 -163.31043 11.18896 2.99472 -163.04163 1097.76343
575.0000 -173.00520 -162.48755 10.51765 2.96380 -163.58167 1099.71917
580.0000 -171.97251 -161.55104 10.42146 3.05764 -161.94255 1096.39292
585.0000 -174.74697 -163.66708 11.07989 3.10271 -161.15530 1161.75430
590.0000 -174.34240 -163.04981 11.29259 2.96584 -163.54596 1093.47832
595.0000 -173.65584 -164.31008 9.34576 2.97483 -163.38910 1106.23643
600.0000 -173.47735 -163.33900 10.13836 2.95390 -163.75468 1081.15141
605.0000 -173.06396 -162.16659 10.89737 3.01847 -162.62670 1082.87944
610.0000 -171.35460 -162.18486 9.16973 3.06016 -161.89858 1142.18281
615.0000 -174.23481 -163.33070 10.90411 2.96396 -163.57893 1066.62570
620.0000 -174.35412 -165.35721 8.99691 2.94566 -163.89853 1085.03700
625.0000 -173.84885 -164.87870 8.97015 2.85272 -165.52189 1010.79240
630.0000 -174.88427 -164.34550 10.53877 2.91507 -164.43288 1061.68905
635.0000 -174.94299 -166.34305 8.59994 2.91850 -164.37288 1050.38895
640.0000 -174.23081 -163.67433 10.55648 2.91854 -164.37218 1045.40072
645.0000 -174.58741 -165.40872 9.17869 2.95559 -163.72501 1096.19633
650.0000 -172.13100 -162.37162 9.75938 2.94883 -163.84317 1022.33809
655.0000 -171.34754 -160.78637 10.56118 3.03800 -162.28562 1137.82489
660.0000 -173.37308 -162.83513 10.53795 3.10590 -161.09959 1154.89170
665.0000 -174.61065 -166.32040 8.29025 2.91503 -164.43349 1038.46424
670.0000 -174.54254 -164.02055 10.52199 2.88250 -165.00164 1039.49121
675.0000 -171.52660 -161.79116 9.73543 3.05843 -161.92871 1110.90478
680.0000 -173.59034 -162.25362 11.33672 3.06443 -161.82395 1123.74552
685.0000 -173.39970 -163.16879 10.23091 3.10751 -161.07158 1201.12100
690.0000 -174.40356 -162.90799 11.49557 2.95123 -163.80131 1083.70916
695.0000 -172.53672 -163.37697 9.15975 3.00172 -162.91926 1116.49305
700.0000 -173.31964 -162.49830 10.82134 3.00354 -162.88747 1104.12434
705.0000 -173.11095 -163.02835 10.08260 3.03669 -162.30844 1141.62071
710.0000 -172.55271 -162.63236 9.92035 3.00577 -162.84856 1109.65244
715.0000 -172.44682 -162.44150 10.00532 2.98644 -163.18615 1058.35878
720.0000 -172.47501 -162.50807 9.96694 3.02278 -162.55139 1112.46574
725.0000 -173.35547 -161.31011 12.04536 3.04165 -162.22193 1129.01607
730.0000 -173.87580 -162.91352 10.96228 3.02850 -162.45157 1104.06279
735.0000 -171.60467 -160.96732 10.63734 3.04445 -162.17296 1108.72676
740.0000 -173.89449 -163.56704 10.32746 3.04545 -162.15557 1136.38111
745.0000 -173.01284 -163.36357 9.64927 2.96250 -163.60430 1070.81887
750.0000 -174.85897 -164.59411 10.26486 2.97204 -163.43778 1081.61093
FREEZING PROCESS: loop number 4 T-loop= 1047.0000000000000
main_MD> interactions number 4 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.00147 2.72505 -2.67491
force_rgl> df(natom) 1.49060 -6.51959 4.39678
755.0000 -173.27394 -162.27949 10.99445 2.97075 -163.46022 1087.56704
760.0000 -174.50395 -164.37794 10.12600 2.97854 -163.32421 1070.55956
765.0000 -172.25765 -162.19049 10.06716 2.95271 -163.77536 1090.97738
770.0000 -173.34473 -163.47878 9.86594 3.02641 -162.48801 1125.18253
775.0000 -175.47421 -164.73937 10.73484 2.91883 -164.36709 1021.04477
780.0000 -175.66026 -166.68171 8.97854 2.84662 -165.62838 981.75886
785.0000 -174.00789 -165.47915 8.52874 2.89993 -164.69734 1044.88235
790.0000 -175.31056 -164.70976 10.60080 2.87735 -165.09171 1026.83036
795.0000 -174.33874 -164.51353 9.82521 2.89323 -164.81426 1054.08135
800.0000 -174.08053 -164.34556 9.73496 2.93690 -164.05150 1055.43227
805.0000 -175.43962 -166.78464 8.65498 2.87419 -165.14690 1053.45078
810.0000 -172.84908 -163.14227 9.70681 2.86429 -165.31982 1011.03462
815.0000 -174.93540 -164.20280 10.73260 2.93412 -164.10018 1086.16686
820.0000 -175.04156 -165.04144 10.00012 2.87322 -165.16374 1035.22084
825.0000 -176.48502 -166.39814 10.08688 2.82869 -165.94154 1007.52688
830.0000 -176.34158 -167.74076 8.60082 2.78578 -166.69107 969.50297
835.0000 -173.78921 -164.64147 9.14774 2.81057 -166.25817 976.44308
840.0000 -172.96780 -163.87349 9.09430 2.94612 -163.89046 1059.81866
845.0000 -172.93216 -162.75973 10.17243 2.97558 -163.37583 1101.60382
850.0000 -173.33751 -162.32446 11.01305 2.99533 -163.03087 1125.18824
855.0000 -172.55369 -162.65719 9.89650 3.05173 -162.04583 1118.24836
860.0000 -172.52760 -161.28370 11.24391 3.07038 -161.72005 1138.27281
865.0000 -172.91071 -162.80847 10.10223 3.04926 -162.08902 1120.43661
870.0000 -177.02164 -167.72159 9.30005 2.87277 -165.17160 1000.54563
875.0000 -175.51524 -164.21297 11.30228 2.81495 -166.18168 993.68210
880.0000 -172.53651 -161.47073 11.06579 2.94678 -163.87897 1062.72275
885.0000 -172.52768 -163.13344 9.39424 3.05563 -161.97765 1134.84722
890.0000 -176.46534 -165.05327 11.41207 2.93976 -164.00158 1057.13638
895.0000 -174.35985 -164.22765 10.13221 2.84981 -165.57271 1003.87291
900.0000 -174.18622 -163.72188 10.46433 2.92283 -164.29724 1080.38815
905.0000 -174.82941 -165.96124 8.86817 2.89325 -164.81404 1011.86525
910.0000 -174.62934 -164.61982 10.00952 2.84929 -165.58175 1009.70296
915.0000 -175.61121 -165.92211 9.68910 2.84548 -165.64838 1002.71892
920.0000 -174.25568 -166.02830 8.22738 2.83221 -165.88009 980.60661
925.0000 -175.36070 -166.49168 8.86901 2.79705 -166.49431 974.74107
930.0000 -174.00445 -164.38219 9.62226 2.89615 -164.76325 1024.25651
935.0000 -175.93137 -164.09662 11.83475 2.96108 -163.62918 1101.75628
940.0000 -172.25635 -161.20523 11.05112 3.04513 -162.16103 1154.11055
945.0000 -173.97400 -164.01187 9.96212 3.02842 -162.45294 1137.68896
950.0000 -174.16074 -163.65784 10.50290 2.98887 -163.14382 1094.44758
955.0000 -172.08692 -161.26185 10.82507 2.99589 -163.02123 1118.45326
960.0000 -172.66442 -162.62779 10.03663 2.99622 -163.01547 1108.95305
965.0000 -173.74260 -163.50988 10.23272 3.01889 -162.61946 1092.85279
970.0000 -173.77207 -164.67078 9.10129 2.99179 -163.09273 1068.50412
975.0000 -175.89732 -166.65485 9.24247 2.85674 -165.45171 978.24934
980.0000 -175.34123 -165.47405 9.86718 2.87844 -165.07269 1039.08685
985.0000 -174.59410 -165.12072 9.47339 2.92297 -164.29484 1066.32549
990.0000 -174.11672 -164.87293 9.24379 2.88774 -164.91013 1025.37578
995.0000 -173.01770 -163.50275 9.51495 2.93466 -164.09074 1054.47871
1000.0000 -174.19017 -162.07824 12.11193 2.99686 -163.00428 1098.91096
FREEZING PROCESS: loop number 5 T-loop= 1022.0000000000000
main_MD> interactions number 5 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.66482 -4.29241 5.48329
force_rgl> df(natom) 0.39964 0.31384 2.30743
1005.0000 -173.11292 -163.89950 9.21343 2.97581 -163.37198 1088.93706
1010.0000 -174.69476 -165.08621 9.60854 2.88964 -164.87701 1051.26856
1015.0000 -176.08676 -166.53648 9.55028 2.91514 -164.43167 1045.82207
1020.0000 -177.24638 -167.66253 9.58385 2.80143 -166.41778 950.95716
1025.0000 -175.00181 -164.71658 10.28523 2.82095 -166.07682 983.02669
1030.0000 -174.68106 -164.60031 10.08074 2.88546 -164.95005 1031.53868
1035.0000 -176.96938 -167.17784 9.79154 2.87208 -165.18381 1043.03963
1040.0000 -177.90260 -169.07520 8.82739 2.73732 -167.53756 941.78793
1045.0000 -177.18592 -167.60815 9.57778 2.72320 -167.78418 928.97950
1050.0000 -176.75508 -167.31145 9.44363 2.74566 -167.39194 928.00139
1055.0000 -176.19335 -166.13040 10.06295 2.78389 -166.72418 967.96304
1060.0000 -175.95806 -165.28106 10.67700 2.85092 -165.55340 1011.98444
1065.0000 -176.05760 -166.19518 9.86242 2.87558 -165.12252 1023.92035
1070.0000 -174.97402 -163.25268 11.72134 2.91452 -164.44236 1064.99751
1075.0000 -173.26311 -162.12724 11.13587 2.97762 -163.34024 1113.38764
1080.0000 -176.75156 -166.28192 10.46965 2.92550 -164.25067 1065.04641
1085.0000 -174.82009 -165.17204 9.64805 2.81440 -166.19122 996.70281
1090.0000 -176.55939 -167.68009 8.87930 2.77104 -166.94854 953.84217
1095.0000 -174.96080 -166.63234 8.32846 2.75242 -167.27389 949.49783
1100.0000 -175.29751 -167.59290 7.70461 2.75930 -167.15364 924.67355
1105.0000 -175.74077 -167.62241 8.11836 2.73754 -167.53381 926.08926
1110.0000 -176.43478 -168.76151 7.67327 2.71987 -167.84243 900.40322
1115.0000 -176.07581 -167.26040 8.81541 2.75517 -167.22581 946.24473
1120.0000 -174.34909 -163.15714 11.19196 2.94743 -163.86767 1054.42477
1125.0000 -176.10753 -165.63052 10.47701 2.90100 -164.67860 1018.19263
1130.0000 -176.05665 -165.51579 10.54086 2.80496 -166.35614 977.96432
1135.0000 -172.46769 -163.43977 9.02792 2.94784 -163.86050 1029.81803
1140.0000 -173.17461 -164.10531 9.06930 2.93967 -164.00320 1025.87718
1145.0000 -173.18019 -163.11899 10.06120 3.03912 -162.26614 1157.31189
1150.0000 -173.60998 -162.71607 10.89390 3.05232 -162.03547 1135.70488
1155.0000 -173.84346 -163.54279 10.30067 2.95368 -163.75836 1071.26163
1160.0000 -171.72455 -160.65993 11.06462 3.04073 -162.23788 1127.60813
1165.0000 -171.72539 -160.37121 11.35418 3.08241 -161.50989 1167.90938
1170.0000 -174.83813 -165.07721 9.76092 3.00733 -162.82133 1099.06575
1175.0000 -175.05431 -164.66107 10.39324 2.95765 -163.68916 1059.39356
1180.0000 -174.39625 -166.22378 8.17246 2.88047 -165.03712 990.76189
1185.0000 -174.87724 -164.99200 9.88524 2.83076 -165.90539 1004.54254
1190.0000 -176.34664 -165.66170 10.68494 2.90031 -164.69056 1021.81220
1195.0000 -174.80806 -166.06797 8.74009 2.85336 -165.51079 996.32854
1200.0000 -174.97306 -167.81336 7.15970 2.78080 -166.77806 950.37430
1205.0000 -175.27654 -166.26201 9.01453 2.76387 -167.07376 949.03288
1210.0000 -175.27970 -167.13317 8.14653 2.77998 -166.79235 947.80882
1215.0000 -175.70574 -164.72614 10.97960 2.81853 -166.11903 955.36982
1220.0000 -173.05885 -163.55763 9.50122 2.92476 -164.26365 1041.08215
1225.0000 -175.42564 -165.85907 9.56658 2.87990 -165.04708 1025.47897
1230.0000 -173.79953 -164.98670 8.81283 2.85154 -165.54243 1007.50391
1235.0000 -174.45617 -165.71008 8.74608 2.89496 -164.78413 1027.98223
1240.0000 -172.87448 -162.75717 10.11731 2.95054 -163.81336 1062.15526
1245.0000 -175.23477 -167.03820 8.19657 2.79851 -166.46872 913.38170
1250.0000 -173.48984 -165.00881 8.48103 2.82410 -166.02185 977.30550
FREEZING PROCESS: loop number 6 T-loop= 997.00000000000000
main_MD> interactions number 6 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.92905 0.62216 0.48132
force_rgl> df(natom) 1.45339 0.73847 -2.17185
1255.0000 -173.61311 -163.94063 9.67248 2.86275 -165.34668 987.20542
1260.0000 -175.30714 -164.59329 10.71385 2.88414 -164.97304 1031.93820
1265.0000 -177.07236 -166.13634 10.93601 2.85548 -165.47376 1005.28911
1270.0000 -176.10523 -167.55126 8.55398 2.77721 -166.84081 949.53861
1275.0000 -176.39281 -166.42565 9.96716 2.74506 -167.40233 914.40015
1280.0000 -176.08200 -166.86518 9.21682 2.73317 -167.61010 923.13332
1285.0000 -176.77693 -168.09744 8.67949 2.77904 -166.80877 949.68622
1290.0000 -176.02497 -166.96764 9.05733 2.70418 -168.11650 909.25930
1295.0000 -177.69154 -167.70030 9.99124 2.79659 -166.50223 957.71973
1300.0000 -176.25886 -168.71036 7.54850 2.74137 -167.46691 920.59425
1305.0000 -175.20506 -167.17050 8.03455 2.71984 -167.84288 910.85684
1310.0000 -177.18594 -167.39442 9.79152 2.83447 -165.84064 971.94103
1315.0000 -177.18787 -167.99086 9.19701 2.69893 -168.20819 890.75948
1320.0000 -173.74492 -163.57643 10.16849 2.83231 -165.87847 1001.37097
1325.0000 -174.53637 -164.73210 9.80427 2.93089 -164.15651 1039.74476
1330.0000 -174.57487 -165.59145 8.98342 2.87277 -165.17171 1007.84383
1335.0000 -173.72458 -165.12144 8.60314 2.93412 -164.10012 1031.48168
1340.0000 -175.55598 -164.90429 10.65169 2.87973 -165.05006 1024.59652
1345.0000 -174.97055 -166.15041 8.82014 2.89581 -164.76924 1047.36519
1350.0000 -177.55032 -168.78279 8.76753 2.69937 -168.20037 912.81358
1355.0000 -177.00578 -167.63640 9.36938 2.75657 -167.20134 948.39925
1360.0000 -175.08694 -164.93238 10.15455 2.80187 -166.41012 1013.72396
1365.0000 -176.62184 -168.20420 8.41764 2.81383 -166.20115 964.13172
1370.0000 -173.96523 -164.92624 9.03899 2.78269 -166.74514 964.97391
1375.0000 -173.22063 -162.47774 10.74289 2.97954 -163.30675 1048.85044
1380.0000 -175.81439 -164.24395 11.57044 2.96166 -163.61904 1061.01355
1385.0000 -176.22623 -165.90444 10.32178 2.88863 -164.89473 1059.40035
1390.0000 -174.73287 -165.43141 9.30146 2.80508 -166.35394 991.68165
1395.0000 -174.74176 -165.72925 9.01251 2.86617 -165.28704 981.70771
1400.0000 -173.38355 -163.90005 9.48350 2.85836 -165.42339 1011.42603
1405.0000 -174.24773 -165.30789 8.93984 2.87490 -165.13439 1015.06339
1410.0000 -175.69338 -166.68135 9.01202 2.83467 -165.83718 979.64542
1415.0000 -175.80745 -167.81230 7.99515 2.77007 -166.96546 921.00441
1420.0000 -173.81354 -165.20713 8.60641 2.82837 -165.94728 984.90490
1425.0000 -172.35511 -163.70902 8.64609 2.93787 -164.03451 1069.51241
1430.0000 -175.16265 -164.05580 11.10686 2.95087 -163.80748 1077.18894
1435.0000 -174.22580 -164.38611 9.83969 2.88689 -164.92500 1063.01763
1440.0000 -175.93195 -166.16952 9.76243 2.83528 -165.82654 1010.40018
1445.0000 -173.46707 -164.74287 8.72421 2.87809 -165.07881 1008.83876
1450.0000 -173.47561 -165.11855 8.35706 2.91156 -164.49409 1034.99092
1455.0000 -176.04121 -167.89021 8.15100 2.75455 -167.23666 946.17372
1460.0000 -175.21610 -167.48627 7.72983 2.71665 -167.89855 919.67297
1465.0000 -175.90169 -165.27737 10.62432 2.78853 -166.64314 957.07948
1470.0000 -175.18766 -166.13851 9.04915 2.83017 -165.91585 972.86759
1475.0000 -175.84609 -168.14762 7.69847 2.81345 -166.20783 999.95387
1480.0000 -174.21018 -164.90975 9.30042 2.74017 -167.48782 906.54484
1485.0000 -175.63673 -165.53981 10.09691 2.84940 -165.57994 1002.38005
1490.0000 -175.38125 -166.82528 8.55597 2.75308 -167.26221 931.78061
1495.0000 -175.47830 -165.71952 9.75878 2.84610 -165.63748 1015.41289
1500.0000 -173.23583 -163.49585 9.73998 2.89580 -164.76941 1032.22741
FREEZING PROCESS: loop number 7 T-loop= 972.00000000000000
main_MD> interactions number 7 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16536 -5.46899 1.59879
force_rgl> df(natom) -7.51709 5.21524 1.06100
1505.0000 -175.07294 -163.69811 11.37483 2.94761 -163.86453 1076.62505
1510.0000 -176.62754 -167.55528 9.07226 2.82336 -166.03473 981.65057
1515.0000 -175.51379 -166.88680 8.62699 2.71006 -168.01370 907.61739
1520.0000 -177.47219 -167.60106 9.87113 2.77696 -166.84526 937.65423
1525.0000 -177.47293 -168.87314 8.59979 2.72956 -167.67319 891.06918
1530.0000 -175.22421 -166.91928 8.30493 2.73756 -167.53337 924.55449
1535.0000 -175.78649 -165.46529 10.32120 2.83959 -165.75121 982.43739
1540.0000 -175.04917 -165.71475 9.33443 2.84221 -165.70546 999.75616
1545.0000 -175.52054 -166.00594 9.51460 2.84431 -165.66886 1001.01844
1550.0000 -174.09225 -164.98708 9.10517 2.82890 -165.93800 983.31886
1555.0000 -173.90660 -163.66578 10.24082 2.90454 -164.61677 1003.97816
1560.0000 -175.07949 -165.29752 9.78197 2.86951 -165.22867 1024.78111
1565.0000 -176.87250 -168.36029 8.51221 2.75955 -167.14935 962.50893
1570.0000 -175.92682 -165.76437 10.16245 2.73627 -167.55589 904.95659
1575.0000 -175.59799 -166.35546 9.24253 2.78612 -166.68510 986.54484
1580.0000 -175.82649 -166.74153 9.08496 2.77479 -166.88313 944.42993
1585.0000 -175.12484 -165.87343 9.25141 2.78701 -166.66964 946.13825
1590.0000 -175.20935 -166.75197 8.45739 2.86324 -165.33820 987.30901
1595.0000 -175.57997 -166.15720 9.42277 2.80140 -166.41834 975.56716
1600.0000 -177.82967 -167.48794 10.34173 2.76901 -166.98410 936.26137
1605.0000 -174.44470 -165.42865 9.01606 2.83121 -165.89769 1032.69555
1610.0000 -176.44944 -167.39488 9.05456 2.78250 -166.74845 942.89773
1615.0000 -177.27660 -167.77556 9.50104 2.68448 -168.46048 873.46804
1620.0000 -175.61479 -165.74437 9.87042 2.76823 -166.99766 951.81779
1625.0000 -172.53119 -164.88314 7.64805 2.86791 -165.25650 996.11116
1630.0000 -172.49233 -163.55210 8.94022 2.91287 -164.47121 1022.23711
1635.0000 -173.85912 -164.37736 9.48177 2.91588 -164.41867 1043.21354
1640.0000 -176.08441 -165.55263 10.53178 2.84694 -165.62290 994.90229
1645.0000 -174.55604 -166.02441 8.53163 2.78923 -166.63094 977.65652
1650.0000 -178.75914 -170.10002 8.65912 2.70640 -168.07772 940.26702
1655.0000 -176.49210 -168.56416 7.92794 2.68862 -168.38827 914.79693
1660.0000 -178.49403 -169.06761 9.42642 2.64712 -169.11315 862.10219
1665.0000 -176.12719 -166.79610 9.33109 2.74418 -167.41780 931.91054
1670.0000 -172.52400 -163.01123 9.51277 2.82773 -165.95846 993.00159
1675.0000 -175.05573 -166.45253 8.60320 2.91230 -164.48130 1038.34568
1680.0000 -177.16618 -168.95212 8.21406 2.74662 -167.37511 952.87998
1685.0000 -175.12856 -166.92422 8.20434 2.69354 -168.30224 916.70867
1690.0000 -174.71455 -165.89100 8.82355 2.78450 -166.71348 972.46264
1695.0000 -175.11906 -167.11067 8.00839 2.80237 -166.40143 976.16531
1700.0000 -174.95950 -165.63451 9.32498 2.79990 -166.44451 994.96875
1705.0000 -174.95632 -164.94428 10.01205 2.85304 -165.51639 1029.40252
1710.0000 -174.27024 -164.01585 10.25438 2.94197 -163.96297 1070.02525
1715.0000 -174.67410 -164.50159 10.17251 2.91042 -164.51404 1022.06782
1720.0000 -174.97998 -166.51479 8.46519 2.80430 -166.36764 969.16429
1725.0000 -175.39949 -167.02462 8.37487 2.82242 -166.05116 989.65408
1730.0000 -175.65646 -166.41630 9.24015 2.78384 -166.72508 932.58755
1735.0000 -177.04783 -168.57989 8.46793 2.77881 -166.81293 948.74510
1740.0000 -175.71257 -168.32197 7.39060 2.70543 -168.09457 885.16173
1745.0000 -175.25419 -166.54665 8.70754 2.74558 -167.39325 945.64402
1750.0000 -177.85269 -168.25539 9.59731 2.73162 -167.63707 918.99725
FREEZING PROCESS: loop number 8 T-loop= 947.00000000000000
main_MD> interactions number 8 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.21022 -2.43732 -1.99778
force_rgl> df(natom) 2.81683 -5.34699 1.98319
1755.0000 -175.80400 -165.95731 9.84669 2.71406 -167.94387 912.59009
1760.0000 -178.44207 -168.75038 9.69169 2.76543 -167.04655 945.48911
1765.0000 -176.63664 -167.59566 9.04098 2.67942 -168.54898 890.35544
1770.0000 -175.23753 -167.17614 8.06139 2.65987 -168.89040 879.56480
1775.0000 -176.75391 -168.89431 7.85959 2.70045 -168.18153 921.52096
1780.0000 -175.51317 -166.12997 9.38320 2.76359 -167.07868 931.89109
1785.0000 -175.42937 -166.87439 8.55497 2.78001 -166.79184 965.14752
1790.0000 -173.08844 -163.34046 9.74798 2.84304 -165.69093 1020.12335
1795.0000 -174.50803 -165.91029 8.59774 2.91562 -164.42330 1031.18154
1800.0000 -175.73683 -167.94691 7.78991 2.81739 -166.13894 989.29318
1805.0000 -176.63672 -169.33733 7.29939 2.73348 -167.60466 936.84296
1810.0000 -176.63355 -167.89223 8.74132 2.65700 -168.94043 886.34425
1815.0000 -174.33177 -163.89542 10.43635 2.79377 -166.55162 971.60485
1820.0000 -174.61909 -164.89861 9.72048 2.87392 -165.15152 1002.94932
1825.0000 -176.62825 -166.86410 9.76415 2.83354 -165.85694 994.07782
1830.0000 -175.16823 -165.33107 9.83716 2.79023 -166.61345 978.79363
1835.0000 -175.44173 -167.06575 8.37598 2.81251 -166.22422 999.66572
1840.0000 -174.91521 -167.48688 7.42833 2.72286 -167.79011 896.85487
1845.0000 -174.55090 -166.48113 8.06977 2.75253 -167.27191 927.92058
1850.0000 -177.45126 -167.98312 9.46814 2.74177 -167.45983 916.12501
1855.0000 -177.12937 -168.24384 8.88553 2.72435 -167.76403 905.45496
1860.0000 -176.22517 -167.01177 9.21340 2.73481 -167.58136 891.29543
1865.0000 -175.19546 -165.00859 10.18687 2.84775 -165.60869 977.67718
1870.0000 -177.73937 -168.93097 8.80840 2.82717 -165.96816 1007.84357
1875.0000 -177.88202 -168.77801 9.10402 2.67330 -168.65583 878.29323
1880.0000 -176.85770 -166.23040 10.62730 2.75100 -167.29854 945.74959
1885.0000 -176.52553 -168.66506 7.86047 2.72821 -167.69672 912.81136
1890.0000 -177.32970 -168.36145 8.96826 2.64435 -169.16151 891.35217
1895.0000 -175.83244 -167.06674 8.76570 2.71521 -167.92370 935.57760
1900.0000 -176.56321 -167.03843 9.52478 2.73497 -167.57858 936.38719
1905.0000 -175.96242 -167.08583 8.87659 2.76649 -167.02802 932.16567
1910.0000 -176.12465 -167.17583 8.94882 2.76330 -167.08384 944.50224
1915.0000 -175.90860 -167.53252 8.37608 2.74969 -167.32148 958.79747
1920.0000 -175.02303 -167.08713 7.93590 2.70362 -168.12618 912.92975
1925.0000 -176.43972 -167.10933 9.33039 2.70611 -168.08268 907.07875
1930.0000 -178.52771 -170.07034 8.45737 2.70008 -168.18807 927.45855
1935.0000 -178.02690 -169.26704 8.75985 2.65332 -169.00484 881.69747
1940.0000 -177.83870 -168.03057 9.80813 2.69371 -168.29931 888.18864
1945.0000 -176.00913 -166.98391 9.02522 2.77485 -166.88198 948.67234
1950.0000 -177.09667 -167.92999 9.16667 2.69634 -168.25332 916.67504
1955.0000 -176.58505 -169.23764 7.34741 2.64526 -169.14555 878.41079
1960.0000 -176.73455 -169.16786 7.56670 2.66931 -168.72550 897.31631
1965.0000 -176.22727 -167.39107 8.83620 2.67607 -168.60737 878.97549
1970.0000 -176.57230 -167.30452 9.26778 2.78843 -166.64491 991.27869
1975.0000 -176.45060 -166.33800 10.11260 2.77755 -166.83488 969.56192
1980.0000 -176.01462 -166.94297 9.07166 2.82233 -166.05269 974.05736
1985.0000 -175.57736 -166.95355 8.62381 2.71095 -167.99812 906.58585
1990.0000 -177.09002 -168.18218 8.90783 2.75465 -167.23490 961.76580
1995.0000 -176.06090 -168.69763 7.36327 2.67747 -168.58289 881.18800
2000.0000 -178.80991 -168.30256 10.50736 2.68384 -168.47176 883.92993
FREEZING PROCESS: loop number 9 T-loop= 922.00000000000000
main_MD> interactions number 9 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33755 -2.06386 -0.70728
force_rgl> df(natom) -1.73299 -1.40631 0.99539
2005.0000 -174.71961 -165.43820 9.28141 2.78229 -166.75201 965.29540
2010.0000 -175.39415 -165.44789 9.94625 2.81275 -166.22005 977.53678
2015.0000 -175.10972 -164.88413 10.22559 2.90023 -164.69196 1031.03981
2020.0000 -175.36266 -167.25802 8.10464 2.84474 -165.66134 1013.59699
2025.0000 -175.94430 -166.90353 9.04077 2.75571 -167.21640 940.51820
2030.0000 -175.56314 -166.60989 8.95326 2.77216 -166.92903 944.52120
2035.0000 -174.33126 -165.92513 8.40614 2.78972 -166.62234 952.03331
2040.0000 -174.83791 -165.37336 9.46456 2.89611 -164.76401 1042.70572
2045.0000 -176.52386 -168.12311 8.40075 2.70951 -168.02329 902.69926
2050.0000 -175.58340 -165.30821 10.27519 2.83740 -165.78950 1006.34573
2055.0000 -176.43704 -167.75089 8.68615 2.74119 -167.46995 959.79232
2060.0000 -176.88903 -169.09669 7.79234 2.66271 -168.84073 891.82948
2065.0000 -178.51134 -169.85074 8.66060 2.62891 -169.43123 845.11496
2070.0000 -176.79438 -167.98128 8.81311 2.66805 -168.74743 870.87532
2075.0000 -176.88480 -168.56006 8.32474 2.71811 -167.87308 925.75969
2080.0000 -175.60552 -167.27053 8.33499 2.74381 -167.42413 923.09567
2085.0000 -175.33777 -168.03076 7.30701 2.74335 -167.43218 929.58410
2090.0000 -176.69351 -167.82611 8.86739 2.78989 -166.61934 963.76618
2095.0000 -175.80816 -167.49646 8.31169 2.77061 -166.95614 963.33178
2100.0000 -175.44648 -164.62806 10.81842 2.83230 -165.87862 968.74149
2105.0000 -177.60080 -168.29064 9.31016 2.75384 -167.24897 934.70235
2110.0000 -175.24092 -166.55370 8.68722 2.72608 -167.73390 896.77345
2115.0000 -175.96458 -165.53866 10.42592 2.85480 -165.48549 1000.55801
2120.0000 -175.06550 -167.04625 8.01925 2.79239 -166.57575 964.00706
2125.0000 -176.62919 -168.82137 7.80782 2.72904 -167.68226 908.24711
2130.0000 -176.89027 -168.58195 8.30832 2.68360 -168.47590 892.09677
2135.0000 -177.03065 -168.78950 8.24115 2.67635 -168.60252 884.14497
2140.0000 -174.53794 -166.23619 8.30176 2.72064 -167.82891 911.54558
2145.0000 -177.42857 -168.90225 8.52632 2.70374 -168.12405 905.71368
2150.0000 -175.83382 -165.92368 9.91015 2.68855 -168.38940 895.33613
2155.0000 -174.62880 -166.07790 8.55090 2.89203 -164.83522 1019.35375
2160.0000 -177.22934 -169.10232 8.12702 2.72687 -167.72008 922.08041
2165.0000 -178.74701 -171.18375 7.56325 2.57072 -170.44749 828.73961
2170.0000 -176.31403 -167.76427 8.54976 2.63552 -169.31572 882.09978
2175.0000 -177.81452 -168.60455 9.20997 2.66664 -168.77207 903.45615
2180.0000 -176.37478 -165.55855 10.81623 2.77369 -166.90224 949.55204
2185.0000 -174.57468 -165.64514 8.92953 2.86849 -165.24643 1016.03092
2190.0000 -174.98098 -167.64627 7.33471 2.77277 -166.91832 927.10655
2195.0000 -175.80318 -166.68937 9.11382 2.80098 -166.42559 965.40007
2200.0000 -176.59372 -167.58975 9.00397 2.78800 -166.65236 976.87029
2205.0000 -177.62345 -170.28022 7.34323 2.68597 -168.43458 894.27126
2210.0000 -177.12929 -167.48097 9.64832 2.68725 -168.41207 910.62053
2215.0000 -177.21157 -167.71783 9.49375 2.67354 -168.65156 876.49603
2220.0000 -176.69466 -168.63274 8.06191 2.69460 -168.28374 884.78316
2225.0000 -177.82802 -168.83109 8.99693 2.67750 -168.58242 900.29845
2230.0000 -175.89197 -166.74082 9.15115 2.75163 -167.28770 936.10348
2235.0000 -175.16894 -165.70277 9.46617 2.82117 -166.07293 972.01794
2240.0000 -176.11283 -167.73227 8.38055 2.70808 -168.04828 924.23992
2245.0000 -175.58527 -168.28627 7.29900 2.71576 -167.91416 895.10849
2250.0000 -177.28826 -168.87190 8.41636 2.73420 -167.59207 943.13022
FREEZING PROCESS: loop number 10 T-loop= 897.00000000000000
main_MD> interactions number 10 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10399 -1.93943 0.62050
force_rgl> df(natom) 1.57240 2.86562 -0.26290
2255.0000 -176.69407 -168.34363 8.35045 2.66250 -168.84447 880.51084
2260.0000 -177.51568 -167.85089 9.66479 2.72367 -167.77605 931.02265
2265.0000 -176.84214 -168.76261 8.07953 2.68080 -168.52472 886.05755
2270.0000 -174.93059 -166.42804 8.50255 2.72730 -167.71258 917.47740
2275.0000 -176.26333 -166.59961 9.66373 2.80446 -166.36481 964.05317
2280.0000 -176.33796 -168.02970 8.30826 2.69932 -168.20137 895.44385
2285.0000 -176.96120 -168.20858 8.75262 2.69710 -168.24010 883.10517
2290.0000 -177.01942 -168.80677 8.21266 2.66965 -168.71951 848.00846
2295.0000 -176.54466 -167.67228 8.87238 2.69823 -168.22027 862.43279
2300.0000 -176.69326 -167.23983 9.45343 2.76191 -167.10802 937.74415
2305.0000 -176.90916 -168.64718 8.26198 2.70514 -168.09957 898.43759
2310.0000 -176.86219 -168.07514 8.78705 2.68550 -168.44276 898.28760
2315.0000 -175.66033 -168.16420 7.49613 2.69140 -168.33961 890.35976
2320.0000 -175.99827 -167.76658 8.23169 2.67639 -168.60182 853.93461
2325.0000 -177.05918 -167.85413 9.20505 2.67831 -168.56827 873.27558
2330.0000 -177.70015 -168.77883 8.92132 2.72742 -167.71042 932.13195
2335.0000 -178.72340 -169.87532 8.84807 2.65543 -168.96798 881.67419
2340.0000 -177.86813 -169.07127 8.79686 2.63460 -169.33175 897.35641
2345.0000 -176.94078 -168.98564 7.95513 2.64607 -169.13134 847.13802
2350.0000 -177.03162 -169.08085 7.95078 2.66687 -168.76807 865.85813
2355.0000 -176.95807 -168.75802 8.20005 2.67388 -168.64562 895.30911
2360.0000 -177.61847 -169.06034 8.55814 2.64593 -169.13388 867.11923
2365.0000 -176.18820 -168.90782 7.28038 2.64919 -169.07699 868.93324
2370.0000 -176.23550 -167.88679 8.34871 2.70222 -168.15064 898.89892
2375.0000 -175.69347 -165.99126 9.70221 2.79509 -166.52856 1000.08627
2380.0000 -175.61041 -168.19341 7.41700 2.75064 -167.30487 955.25755
2385.0000 -177.21018 -168.90129 8.30889 2.64095 -169.22088 886.46992
2390.0000 -176.71540 -169.95661 6.75879 2.63666 -169.29579 835.77292
2395.0000 -177.57476 -169.64330 7.93146 2.57759 -170.32756 806.73303
2400.0000 -178.50841 -169.49399 9.01442 2.66524 -168.79653 868.09401
2405.0000 -176.26462 -168.50551 7.75910 2.67880 -168.55974 901.56700
2410.0000 -175.47617 -167.90945 7.56672 2.69157 -168.33663 900.41436
2415.0000 -176.99633 -169.00107 7.99526 2.68176 -168.50808 864.56077
2420.0000 -176.81556 -168.29562 8.51994 2.68877 -168.38560 876.07794
2425.0000 -178.15338 -169.34518 8.80821 2.66217 -168.85024 884.60992
2430.0000 -176.42607 -167.27352 9.15255 2.70170 -168.15965 903.65189
2435.0000 -178.22906 -169.33488 8.89418 2.68727 -168.41180 873.30317
2440.0000 -177.89120 -168.80532 9.08588 2.67515 -168.62347 872.44016
2445.0000 -175.61319 -166.82704 8.78615 2.71874 -167.86217 930.30965
2450.0000 -176.14312 -168.99299 7.15013 2.68912 -168.37948 889.65429
2455.0000 -174.56916 -166.42837 8.14079 2.70097 -168.17243 893.85777
2460.0000 -174.54101 -165.30329 9.23772 2.85934 -165.40628 987.09443
2465.0000 -175.93931 -166.94137 8.99793 2.80794 -166.30408 970.19331
2470.0000 -177.28733 -169.14148 8.14585 2.69695 -168.24270 904.69341
2475.0000 -178.63709 -170.09838 8.53871 2.60927 -169.77412 853.72387
2480.0000 -176.44037 -167.97804 8.46232 2.68252 -168.49482 906.30016
2485.0000 -175.55034 -166.71336 8.83698 2.74121 -167.46962 918.67699
2490.0000 -176.74477 -168.46979 8.27498 2.73079 -167.65155 894.52866
2495.0000 -177.06129 -169.96501 7.09628 2.62062 -169.57588 822.51240
2500.0000 -176.03325 -167.29332 8.73992 2.64785 -169.10037 883.56885
FREEZING PROCESS: loop number 11 T-loop= 872.00000000000000
main_MD> interactions number 11 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.52549 3.32679 -0.99466
force_rgl> df(natom) 0.50646 5.06434 0.65838
2505.0000 -177.73260 -170.56669 7.16591 2.68375 -168.47320 905.34476
2510.0000 -177.86653 -169.35861 8.50792 2.57242 -170.41783 804.96958
2515.0000 -176.05452 -167.72746 8.32705 2.62775 -169.45140 833.36556
2520.0000 -176.93738 -168.57833 8.35905 2.72299 -167.78791 909.38313
2525.0000 -178.57728 -170.03540 8.54188 2.65581 -168.96129 879.89202
2530.0000 -178.10526 -169.81801 8.28725 2.64472 -169.15503 861.93057
2535.0000 -176.15430 -168.51929 7.63502 2.63247 -169.36892 837.66104
2540.0000 -176.36917 -168.04738 8.32179 2.67258 -168.66842 889.78710
2545.0000 -176.82803 -168.70400 8.12403 2.69498 -168.27714 901.46908
2550.0000 -177.61479 -170.23670 7.37809 2.62433 -169.51119 847.65913
2555.0000 -178.02467 -170.28725 7.73743 2.58429 -170.21052 847.15598
2560.0000 -179.65264 -170.79361 8.85902 2.56295 -170.58336 828.35134
2565.0000 -179.00488 -170.61654 8.38834 2.53086 -171.14370 808.60175
2570.0000 -179.16652 -171.91567 7.25085 2.56724 -170.50833 812.32983
2575.0000 -177.11176 -168.85415 8.25761 2.52533 -171.24030 787.97576
2580.0000 -176.40178 -168.75339 7.64839 2.63280 -169.36325 873.91462
2585.0000 -178.44553 -170.07333 8.37220 2.69027 -168.35941 896.62222
2590.0000 -176.95701 -169.97139 6.98561 2.62005 -169.58588 838.61983
2595.0000 -176.88156 -168.98201 7.89955 2.62205 -169.55093 835.20574
2600.0000 -178.14258 -170.61690 7.52568 2.62287 -169.53657 874.25567
2605.0000 -177.82854 -169.80819 8.02035 2.56263 -170.58885 826.68284
2610.0000 -177.38127 -168.23805 9.14322 2.58633 -170.17482 822.37718
2615.0000 -175.86850 -166.00226 9.86624 2.77321 -166.91063 942.07497
2620.0000 -176.31226 -166.77578 9.53648 2.84447 -165.66602 1002.57972
2625.0000 -177.91282 -169.32054 8.59228 2.67554 -168.61676 861.52517
2630.0000 -179.37260 -172.04473 7.32786 2.60473 -169.85354 857.05542
2635.0000 -178.37995 -170.87647 7.50348 2.55617 -170.70178 808.68420
2640.0000 -176.88130 -168.25091 8.63039 2.61541 -169.66696 812.61778
2645.0000 -175.91723 -166.55219 9.36505 2.77596 -166.86262 926.40052
2650.0000 -177.43976 -170.16580 7.27396 2.67418 -168.64049 856.16370
2655.0000 -175.16610 -166.68202 8.48408 2.62873 -169.43425 844.66205
2660.0000 -176.48230 -167.90197 8.58034 2.76807 -167.00051 909.08217
2665.0000 -176.96835 -168.07728 8.89108 2.64154 -169.21049 851.18980
2670.0000 -177.82967 -170.57128 7.25839 2.65784 -168.92586 845.22153
2675.0000 -177.04656 -169.57496 7.47160 2.60074 -169.92311 843.42585
2680.0000 -179.33849 -169.93321 9.40528 2.60909 -169.77736 872.84542
2685.0000 -176.87305 -168.73931 8.13374 2.60361 -169.87308 882.07522
2690.0000 -177.40108 -168.85864 8.54244 2.66015 -168.88541 892.93232
2695.0000 -177.05597 -169.05148 8.00449 2.64497 -169.15066 853.25043
2700.0000 -178.65854 -171.20067 7.45787 2.61607 -169.65549 847.60566
2705.0000 -176.66224 -168.80339 7.85885 2.58509 -170.19653 818.80096
2710.0000 -177.21675 -169.00054 8.21621 2.65641 -168.95085 858.87806
2715.0000 -176.51507 -167.98872 8.52634 2.67411 -168.64167 865.58241
2720.0000 -177.36950 -170.27067 7.09883 2.66840 -168.74134 844.95692
2725.0000 -179.27042 -171.32349 7.94692 2.50235 -171.64168 765.60366
2730.0000 -177.88100 -170.41635 7.46465 2.55962 -170.64144 812.10870
2735.0000 -176.95833 -168.56259 8.39574 2.63844 -169.26465 852.71505
2740.0000 -177.21480 -167.40655 9.80825 2.66655 -168.77365 872.40218
2745.0000 -177.80936 -168.06947 9.73989 2.73627 -167.55591 967.33047
2750.0000 -176.35186 -169.43231 6.91956 2.63174 -169.38177 848.78343
FREEZING PROCESS: loop number 12 T-loop= 847.00000000000000
main_MD> interactions number 12 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.97748 -4.13558 -0.35513
force_rgl> df(natom) 1.04808 2.12968 0.10081
2755.0000 -177.49071 -169.65337 7.83734 2.60760 -169.80343 837.75281
2760.0000 -176.40157 -169.43053 6.97104 2.62101 -169.56921 867.37539
2765.0000 -178.73755 -171.71581 7.02174 2.55431 -170.73415 817.48081
2770.0000 -178.31025 -170.92835 7.38190 2.54640 -170.87241 799.24876
2775.0000 -176.40260 -168.27104 8.13156 2.63475 -169.32909 871.10276
2780.0000 -180.44294 -171.91253 8.53041 2.57916 -170.30011 818.71398
2785.0000 -178.86013 -170.72923 8.13090 2.53094 -171.14237 809.37264
2790.0000 -177.91606 -171.14253 6.77353 2.56320 -170.57896 834.91707
2795.0000 -180.38852 -171.39449 8.99403 2.54098 -170.96702 805.19640
2800.0000 -177.45857 -169.90464 7.55392 2.57025 -170.45581 826.32302
2805.0000 -178.07799 -171.00907 7.06893 2.52455 -171.25405 774.46027
2810.0000 -178.38342 -170.03743 8.34599 2.58006 -170.28441 814.77065
2815.0000 -177.83540 -170.39216 7.44324 2.55600 -170.70470 803.67986
2820.0000 -177.62009 -169.04588 8.57421 2.60653 -169.82212 841.08124
2825.0000 -177.38978 -169.41195 7.97783 2.62008 -169.58544 856.20941
2830.0000 -177.18854 -169.41221 7.77633 2.60705 -169.81294 800.43389
2835.0000 -177.15635 -168.20170 8.95465 2.66364 -168.82455 854.18422
2840.0000 -178.23754 -171.67045 6.56709 2.59457 -170.03089 834.11380
2845.0000 -179.26475 -171.58649 7.67826 2.51527 -171.41604 784.46892
2850.0000 -178.81668 -170.31784 8.49885 2.52474 -171.25072 771.49111
2855.0000 -180.02132 -172.07158 7.94974 2.51711 -171.38398 797.36861
2860.0000 -179.19250 -172.23032 6.96218 2.44518 -172.64031 741.96944
2865.0000 -178.33174 -170.49219 7.83955 2.49015 -171.85481 797.70771
2870.0000 -178.37595 -170.50733 7.86862 2.55691 -170.68881 819.32043
2875.0000 -177.16441 -169.54943 7.61498 2.61584 -169.65950 847.74204
2880.0000 -178.24744 -170.56043 7.68701 2.60928 -169.77394 812.56737
2885.0000 -176.68389 -169.00305 7.68084 2.58958 -170.11820 831.20987
2890.0000 -177.99520 -171.04630 6.94891 2.62749 -169.45590 861.53194
2895.0000 -178.14394 -170.56132 7.58262 2.54480 -170.90025 795.67728
2900.0000 -177.57122 -170.66790 6.90332 2.53695 -171.03734 770.60561
2905.0000 -178.42059 -170.27236 8.14823 2.58325 -170.22870 816.84155
2910.0000 -177.85483 -169.08276 8.77207 2.65151 -169.03640 861.12783
2915.0000 -176.70182 -168.31940 8.38242 2.69696 -168.24258 903.22179
2920.0000 -178.03923 -170.70217 7.33706 2.61595 -169.65761 832.70228
2925.0000 -178.10248 -169.82752 8.27495 2.58310 -170.23126 826.45063
2930.0000 -177.99769 -169.59704 8.40065 2.65440 -168.98584 842.89261
2935.0000 -177.87485 -169.92582 7.94903 2.62783 -169.45009 828.64671
2940.0000 -177.98616 -168.81772 9.16844 2.60759 -169.80348 835.42003
2945.0000 -178.05699 -169.74524 8.31176 2.65397 -168.99352 862.02268
2950.0000 -176.69022 -168.41717 8.27304 2.66155 -168.86101 861.42149
2955.0000 -177.31310 -170.53178 6.78132 2.63989 -169.23934 851.16796
2960.0000 -176.57566 -168.38808 8.18757 2.61216 -169.72369 839.45183
2965.0000 -177.60034 -169.14525 8.45509 2.64342 -169.17772 867.68253
2970.0000 -177.91687 -169.46171 8.45516 2.69116 -168.34381 896.85780
2975.0000 -174.36583 -166.17840 8.18743 2.73083 -167.65085 901.22798
2980.0000 -176.90579 -168.12818 8.77761 2.71902 -167.85714 917.65645
2985.0000 -177.26425 -169.34172 7.92253 2.70389 -168.12150 895.23549
2990.0000 -178.70689 -170.85643 7.85046 2.60053 -169.92691 843.26413
2995.0000 -178.48899 -170.60154 7.88745 2.64751 -169.10630 877.93550
3000.0000 -175.93839 -168.41633 7.52206 2.59680 -169.99193 843.85855
FREEZING PROCESS: loop number 13 T-loop= 822.00000000000000
main_MD> interactions number 13 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01684 2.97819 2.06560
force_rgl> df(natom) 4.02622 3.09971 -0.50989
3005.0000 -177.81629 -169.94087 7.87542 2.61544 -169.66639 854.04005
3010.0000 -178.12448 -170.51882 7.60566 2.54653 -170.87005 782.62850
3015.0000 -176.82443 -169.16569 7.65874 2.64685 -169.11773 848.04124
3020.0000 -178.53792 -171.07066 7.46726 2.59229 -170.07080 819.04124
3025.0000 -177.86065 -168.81685 9.04379 2.61823 -169.61769 860.61800
3030.0000 -180.28112 -172.09736 8.18376 2.54534 -170.89084 798.94917
3035.0000 -178.74458 -171.99845 6.74613 2.48246 -171.98918 765.80105
3040.0000 -178.70894 -172.51752 6.19142 2.43144 -172.88032 724.53197
3045.0000 -177.67566 -170.46392 7.21173 2.47642 -172.09461 775.34759
3050.0000 -177.15940 -169.02961 8.12979 2.59804 -169.97030 815.31309
3055.0000 -175.48046 -167.70470 7.77576 2.68581 -168.43737 874.51311
3060.0000 -176.73835 -168.71556 8.02279 2.67730 -168.58588 878.88214
3065.0000 -178.49749 -170.72667 7.77082 2.63886 -169.25731 890.35777
3070.0000 -177.72841 -170.99094 6.73747 2.51387 -171.44056 794.76998
3075.0000 -179.04112 -170.88561 8.15551 2.58982 -170.11399 828.80265
3080.0000 -176.91265 -168.29619 8.61646 2.63001 -169.41200 875.36478
3085.0000 -177.18879 -168.99579 8.19300 2.65341 -169.00327 867.05498
3090.0000 -180.55918 -173.17547 7.38371 2.55415 -170.73700 798.24689
3095.0000 -179.23906 -170.66755 8.57151 2.55130 -170.78682 823.57652
3100.0000 -178.46495 -170.58315 7.88179 2.53265 -171.11250 815.46958
3105.0000 -177.94637 -171.06577 6.88060 2.55429 -170.73451 789.17623
3110.0000 -179.72822 -171.81891 7.90931 2.51631 -171.39798 764.44794
3115.0000 -177.57973 -169.10731 8.47242 2.58460 -170.20514 844.14438
3120.0000 -177.23347 -168.67646 8.55701 2.65638 -168.95132 878.75576
3125.0000 -178.60539 -170.17251 8.43288 2.62776 -169.45131 871.03516
3130.0000 -176.83923 -168.48192 8.35731 2.59722 -169.98466 815.63863
3135.0000 -178.27123 -170.52933 7.74190 2.64208 -169.20104 860.39917
3140.0000 -177.81239 -169.68795 8.12444 2.58381 -170.21895 816.15490
3145.0000 -176.53764 -168.34800 8.18963 2.62949 -169.42101 827.55170
3150.0000 -177.41413 -170.06806 7.34607 2.71347 -167.95407 899.01929
3155.0000 -177.89245 -168.77610 9.11636 2.62590 -169.48365 845.61246
3160.0000 -177.38300 -168.99634 8.38666 2.68645 -168.42603 872.65782
3165.0000 -178.65156 -171.87513 6.77642 2.59428 -170.03596 841.91485
3170.0000 -179.88211 -172.55445 7.32766 2.51801 -171.36823 794.18434
3175.0000 -180.89904 -172.80658 8.09245 2.48023 -172.02820 784.93269
3180.0000 -177.56663 -169.82728 7.73935 2.55321 -170.75340 812.51694
3185.0000 -176.16222 -168.85998 7.30224 2.59427 -170.03627 820.02772
3190.0000 -177.88041 -169.53738 8.34303 2.63638 -169.30062 866.32657
3195.0000 -179.11228 -170.14719 8.96509 2.62316 -169.53153 847.48315
3200.0000 -178.58377 -170.49582 8.08796 2.55529 -170.71712 813.02387
3205.0000 -177.93212 -170.50183 7.43030 2.58876 -170.13251 839.96398
3210.0000 -178.62715 -171.29533 7.33182 2.52713 -171.20891 800.89146
3215.0000 -178.58403 -170.09091 8.49312 2.58866 -170.13415 814.27342
3220.0000 -177.29987 -168.92512 8.37475 2.62065 -169.57538 833.10155
3225.0000 -176.71881 -169.09977 7.61904 2.64958 -169.07012 864.59964
3230.0000 -176.73101 -169.09577 7.63524 2.63648 -169.29886 864.14957
3235.0000 -177.40750 -170.25185 7.15566 2.57375 -170.39465 818.58915
3240.0000 -178.20709 -171.15986 7.04723 2.54860 -170.83398 837.73293
3245.0000 -178.88292 -171.11660 7.76632 2.55093 -170.79318 813.13580
3250.0000 -179.47907 -172.89632 6.58274 2.46500 -172.29422 751.03922
FREEZING PROCESS: loop number 14 T-loop= 797.00000000000000
main_MD> interactions number 14 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.21399 1.63349 -4.32045
force_rgl> df(natom) -0.47165 0.76685 2.19825
3255.0000 -179.60666 -172.09207 7.51459 2.43811 -172.76388 727.56695
3260.0000 -179.27560 -172.83717 6.43843 2.43312 -172.85095 731.21487
3265.0000 -180.27281 -172.05774 8.21506 2.41316 -173.19969 745.96560
3270.0000 -180.35284 -173.53189 6.82094 2.45577 -172.45535 734.86112
3275.0000 -179.23648 -173.29600 5.94048 2.40138 -173.40540 709.00705
3280.0000 -181.27173 -173.22047 8.05126 2.43024 -172.90126 715.83376
3285.0000 -179.79859 -172.76641 7.03218 2.43668 -172.78887 747.51840
3290.0000 -177.90278 -170.50237 7.40041 2.51457 -171.42830 760.72329
3295.0000 -179.11839 -172.64806 6.47033 2.50395 -171.61384 755.02082
3300.0000 -178.79587 -172.76199 6.03387 2.43559 -172.80791 724.35989
3305.0000 -177.14357 -169.36831 7.77526 2.52657 -171.21872 805.19598
3310.0000 -177.68927 -168.95393 8.73535 2.61075 -169.74837 854.51354
3315.0000 -177.76123 -169.41514 8.34609 2.55731 -170.68173 807.83558
3320.0000 -179.85351 -172.37378 7.47973 2.54772 -170.84934 808.49241
3325.0000 -179.64892 -172.78098 6.86794 2.43723 -172.77922 713.48328
3330.0000 -178.06976 -170.30079 7.76897 2.55674 -170.69176 810.24760
3335.0000 -178.28409 -170.58025 7.70385 2.60346 -169.87566 841.13394
3340.0000 -178.83150 -171.25981 7.57169 2.56405 -170.56414 817.35416
3345.0000 -179.42708 -172.01121 7.41587 2.43979 -172.73449 747.23473
3350.0000 -178.39634 -170.34370 8.05264 2.51857 -171.35841 771.11546
3355.0000 -178.41526 -169.98039 8.43487 2.56038 -170.62815 834.17741
3360.0000 -178.01781 -170.49524 7.52257 2.56523 -170.54347 829.75491
3365.0000 -179.38324 -171.53228 7.85096 2.52591 -171.23025 805.82065
3370.0000 -178.68616 -171.49315 7.19300 2.47918 -172.04651 777.59526
3375.0000 -178.95675 -171.36467 7.59209 2.54715 -170.85926 803.49983
3380.0000 -180.03064 -174.06767 5.96297 2.47866 -172.05560 765.36396
3385.0000 -179.39997 -173.44268 5.95729 2.37488 -173.86822 699.38091
3390.0000 -179.75884 -170.42253 9.33631 2.45142 -172.53140 721.72284
3395.0000 -177.64912 -170.32122 7.32790 2.58167 -170.25637 834.80552
3400.0000 -178.49648 -171.02552 7.47095 2.58137 -170.26159 826.14249
3405.0000 -177.62029 -169.72509 7.89520 2.53312 -171.10437 802.81752
3410.0000 -178.07089 -170.57390 7.49699 2.57803 -170.31985 835.73038
3415.0000 -179.45636 -173.20153 6.25484 2.53133 -171.13550 785.07167
3420.0000 -179.25438 -171.52876 7.72562 2.42201 -173.04499 735.94126
3425.0000 -178.82289 -170.99482 7.82807 2.50031 -171.67735 769.59560
3430.0000 -178.45576 -171.15150 7.30426 2.56243 -170.59235 805.00514
3435.0000 -178.25863 -169.81321 8.44542 2.56164 -170.60615 817.99795
3440.0000 -179.43197 -171.29169 8.14028 2.53878 -171.00539 831.51661
3445.0000 -178.80534 -171.03692 7.76842 2.53143 -171.13377 805.95933
3450.0000 -178.43066 -171.53577 6.89488 2.49557 -171.76017 773.99320
3455.0000 -179.00190 -171.38297 7.61892 2.57964 -170.29167 832.64155
3460.0000 -178.76752 -171.75678 7.01075 2.50459 -171.60255 795.11678
3465.0000 -178.54745 -171.66751 6.87995 2.45612 -172.44934 718.14502
3470.0000 -179.31435 -172.10834 7.20601 2.53452 -171.07983 807.18838
3475.0000 -178.98883 -170.97445 8.01438 2.45626 -172.44676 725.58087
3480.0000 -178.17727 -171.00547 7.17180 2.53958 -170.99140 809.18167
3485.0000 -178.38541 -172.12445 6.26096 2.54076 -170.97084 775.54135
3490.0000 -179.05256 -171.81343 7.23912 2.51624 -171.39918 779.41942
3495.0000 -177.34106 -169.02638 8.31468 2.57979 -170.28909 820.73545
3500.0000 -178.44862 -169.99078 8.45783 2.62249 -169.54323 838.38293
FREEZING PROCESS: loop number 15 T-loop= 772.00000000000000
main_MD> interactions number 15 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14535 -3.39584 1.79102
force_rgl> df(natom) 1.72413 0.33893 1.09211
3505.0000 -178.32751 -170.26099 8.06653 2.57235 -170.41904 794.49375
3510.0000 -179.60374 -172.38055 7.22319 2.54561 -170.88621 784.25625
3515.0000 -177.62569 -170.33209 7.29360 2.52655 -171.21905 799.05560
3520.0000 -178.37381 -170.46372 7.91009 2.59805 -169.97019 823.46790
3525.0000 -179.49961 -171.31999 8.17961 2.52266 -171.28703 789.74376
3530.0000 -178.74188 -172.70237 6.03951 2.47535 -172.11341 752.89453
3535.0000 -178.66357 -171.88018 6.78339 2.48961 -171.86424 777.55039
3540.0000 -180.64781 -173.76301 6.88480 2.40794 -173.29076 737.18387
3545.0000 -180.09228 -173.07739 7.01489 2.43945 -172.74041 761.48508
3550.0000 -180.91730 -172.58101 8.33629 2.42727 -172.95325 738.65698
3555.0000 -180.59040 -173.91011 6.68029 2.41413 -173.18264 731.85020
3560.0000 -178.61159 -171.21832 7.39328 2.41859 -173.10485 722.89147
3565.0000 -178.81496 -171.26907 7.54588 2.48435 -171.95612 805.85507
3570.0000 -178.43780 -170.64234 7.79546 2.48643 -171.91990 773.20421
3575.0000 -178.68095 -171.73659 6.94436 2.48266 -171.98568 775.71665
3580.0000 -179.39009 -171.78725 7.60284 2.52243 -171.29095 792.76360
3585.0000 -179.24251 -171.87755 7.36496 2.48427 -171.95762 762.86737
3590.0000 -179.82990 -171.24871 8.58120 2.51663 -171.39227 813.99976
3595.0000 -177.95958 -170.23261 7.72696 2.55546 -170.71416 789.16892
3600.0000 -179.33333 -171.85881 7.47452 2.51176 -171.47735 772.30037
3605.0000 -179.38770 -172.62584 6.76186 2.44342 -172.67101 749.05608
3610.0000 -179.68129 -172.98061 6.70069 2.41357 -173.19240 703.06985
3615.0000 -180.26900 -172.95454 7.31446 2.41804 -173.11443 714.60249
3620.0000 -180.71279 -171.80322 8.90957 2.46192 -172.34800 765.76960
3625.0000 -178.35266 -171.70346 6.64920 2.47894 -172.05067 761.20295
3630.0000 -179.37267 -172.53956 6.83311 2.45317 -172.50073 716.93312
3635.0000 -179.79205 -172.93550 6.85655 2.43993 -172.73207 700.29000
3640.0000 -179.65841 -173.76009 5.89832 2.39169 -173.57460 680.12289
3645.0000 -178.94118 -171.49555 7.44563 2.40320 -173.37354 710.32758
3650.0000 -180.15779 -173.78152 6.37627 2.47242 -172.16461 757.72686
3655.0000 -178.05878 -170.60427 7.45451 2.47248 -172.16356 768.19895
3660.0000 -178.92402 -171.75731 7.16670 2.50555 -171.58587 784.34198
3665.0000 -178.55743 -171.48699 7.07044 2.46689 -172.26118 758.34172
3670.0000 -178.72441 -170.56419 8.16022 2.55399 -170.73973 812.56997
3675.0000 -179.65911 -172.04726 7.61185 2.51908 -171.34946 793.35497
3680.0000 -179.67527 -172.49586 7.17941 2.50246 -171.63979 797.83380
3685.0000 -179.05090 -172.37681 6.67409 2.47726 -172.08003 743.16684
3690.0000 -179.73185 -172.84670 6.88515 2.43747 -172.77510 727.30941
3695.0000 -178.47125 -171.72162 6.74962 2.47280 -172.15793 760.40342
3700.0000 -178.03051 -170.68910 7.34141 2.53757 -171.02664 776.71947
3705.0000 -178.10301 -171.53433 6.56868 2.53364 -171.09515 783.17213
3710.0000 -178.65586 -170.55257 8.10329 2.51762 -171.37508 769.23848
3715.0000 -178.17665 -170.58026 7.59639 2.53738 -171.02983 793.86281
3720.0000 -180.31037 -172.62987 7.68051 2.48768 -171.89804 762.22039
3725.0000 -179.67779 -172.65733 7.02045 2.47183 -172.17490 750.47827
3730.0000 -177.91722 -170.86991 7.04732 2.52225 -171.29410 797.25063
3735.0000 -180.31302 -172.99168 7.32134 2.50749 -171.55204 787.06161
3740.0000 -179.18114 -172.19022 6.99092 2.42430 -173.00499 750.04382
3745.0000 -179.16497 -172.67267 6.49230 2.47125 -172.18497 740.07162
3750.0000 -179.82293 -172.27282 7.55011 2.44336 -172.67215 729.18925
FREEZING PROCESS: loop number 16 T-loop= 747.00000000000000
main_MD> interactions number 16 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65140 1.47135 -0.50753
force_rgl> df(natom) -0.28361 -1.57432 -2.57940
3755.0000 -177.79590 -170.39039 7.40550 2.49669 -171.74063 776.22830
3760.0000 -178.09865 -169.97520 8.12345 2.57576 -170.35951 823.60451
3765.0000 -179.81468 -172.50261 7.31207 2.51093 -171.49188 780.69751
3770.0000 -179.13625 -172.27894 6.85731 2.45454 -172.47682 726.72940
3775.0000 -178.43906 -170.97105 7.46801 2.50718 -171.55745 782.53376
3780.0000 -178.28182 -171.36219 6.91962 2.54189 -170.95117 784.54003
3785.0000 -179.56140 -172.54802 7.01338 2.48028 -172.02722 739.72265
3790.0000 -177.60193 -170.78094 6.82099 2.51009 -171.50662 788.74172
3795.0000 -180.74340 -173.63393 7.10947 2.44819 -172.58775 749.78347
3800.0000 -181.36609 -174.66353 6.70256 2.36541 -174.03370 680.68614
3805.0000 -181.54954 -175.33996 6.20959 2.34247 -174.43442 667.66768
3810.0000 -181.11147 -173.68407 7.42741 2.32540 -174.73254 666.47709
3815.0000 -176.39696 -169.48577 6.91119 2.55372 -170.74456 788.74028
3820.0000 -178.84041 -170.30119 8.53922 2.58359 -170.22271 824.30992
3825.0000 -178.81529 -172.20714 6.60815 2.53668 -171.04208 796.52144
3830.0000 -178.36359 -170.76886 7.59473 2.50215 -171.64517 760.64941
3835.0000 -178.24288 -169.99794 8.24494 2.58114 -170.26563 808.66035
3840.0000 -178.54681 -170.78775 7.75906 2.61972 -169.59161 853.80185
3845.0000 -179.45327 -171.46324 7.99003 2.50742 -171.55326 786.94705
3850.0000 -178.90484 -171.37721 7.52763 2.48216 -171.99446 782.16545
3855.0000 -179.24587 -172.52068 6.72518 2.45144 -172.53107 740.87553
3860.0000 -180.81527 -172.21582 8.59945 2.46025 -172.37717 727.91887
3865.0000 -179.43030 -172.45934 6.97097 2.43690 -172.78496 747.84364
3870.0000 -178.80715 -172.56477 6.24238 2.44689 -172.61042 734.40014
3875.0000 -178.74281 -171.75844 6.98436 2.47728 -172.07958 741.41383
3880.0000 -176.89793 -170.38979 6.50814 2.53566 -171.05999 806.80721
3885.0000 -178.20464 -171.35778 6.84686 2.52804 -171.19301 794.56593
3890.0000 -179.05211 -172.04699 7.00512 2.51344 -171.44806 793.34231
3895.0000 -179.06918 -171.25828 7.81090 2.50166 -171.65386 797.16804
3900.0000 -179.06268 -172.09123 6.97145 2.50408 -171.61160 796.74995
3905.0000 -178.35283 -171.62051 6.73233 2.50045 -171.67502 774.39840
3910.0000 -179.90391 -173.49912 6.40479 2.43941 -172.74121 729.56229
3915.0000 -180.34274 -173.35843 6.98431 2.37894 -173.79736 661.35120
3920.0000 -179.03378 -171.90641 7.12737 2.45961 -172.38824 731.18677
3925.0000 -179.66347 -172.85673 6.80674 2.46499 -172.29433 773.62445
3930.0000 -179.99890 -172.50149 7.49740 2.41903 -173.09712 727.11310
3935.0000 -178.98758 -171.93297 7.05460 2.46158 -172.35393 749.57246
3940.0000 -180.16946 -173.36839 6.80107 2.42722 -172.95397 719.10798
3945.0000 -181.09854 -173.88024 7.21830 2.39154 -173.57726 737.06777
3950.0000 -179.84369 -171.38410 8.45959 2.44322 -172.67458 753.56850
3955.0000 -180.30999 -174.45900 5.85098 2.42051 -173.07133 729.68696
3960.0000 -179.91638 -173.84585 6.07053 2.34085 -174.46266 675.47209
3965.0000 -179.10863 -171.72096 7.38767 2.43717 -172.78023 721.91050
3970.0000 -180.27685 -172.40728 7.86957 2.44594 -172.62703 750.32378
3975.0000 -179.29647 -171.45000 7.84647 2.48223 -171.99324 773.55734
3980.0000 -180.46057 -173.29290 7.16766 2.48825 -171.88812 757.89740
3985.0000 -178.43790 -171.24727 7.19063 2.43532 -172.81255 738.27486
3990.0000 -178.12788 -171.09123 7.03664 2.52377 -171.26764 790.07247
3995.0000 -179.33246 -172.21182 7.12064 2.52003 -171.33294 772.31847
4000.0000 -180.22212 -171.62445 8.59767 2.50521 -171.59189 784.82718
FREEZING PROCESS: loop number 17 T-loop= 722.00000000000000
main_MD> interactions number 17 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.24282 2.02626 2.40051
force_rgl> df(natom) 0.74356 -2.64669 1.65179
4005.0000 -179.23439 -171.69877 7.53562 2.45755 -172.42433 742.74212
4010.0000 -178.97595 -172.95498 6.02097 2.47303 -172.15387 727.66732
4015.0000 -179.54692 -172.59541 6.95151 2.43171 -172.87567 742.16509
4020.0000 -179.90142 -173.17779 6.72363 2.42867 -172.92868 730.10640
4025.0000 -179.99404 -172.65161 7.34243 2.48145 -172.00687 755.80552
4030.0000 -179.38068 -173.02569 6.35499 2.41671 -173.13754 696.66387
4035.0000 -180.30505 -173.39745 6.90760 2.38951 -173.61281 688.03016
4040.0000 -178.36551 -172.01984 6.34567 2.42066 -173.06864 707.08761
4045.0000 -180.41325 -172.75791 7.65535 2.42217 -173.04226 703.95769
4050.0000 -180.17486 -171.91007 8.26479 2.48345 -171.97196 759.54057
4055.0000 -179.27028 -172.49201 6.77826 2.44143 -172.70582 716.03691
4060.0000 -178.64758 -172.33702 6.31056 2.44905 -172.57272 719.79232
4065.0000 -180.10078 -172.66416 7.43662 2.47324 -172.15027 749.08640
4070.0000 -179.43520 -172.22150 7.21370 2.44848 -172.58279 738.91880
4075.0000 -180.14644 -172.97473 7.17171 2.42798 -172.94073 741.27755
4080.0000 -181.02205 -174.08654 6.93551 2.37141 -173.92889 693.95536
4085.0000 -180.35632 -173.29710 7.05922 2.41117 -173.23432 734.47563
4090.0000 -180.43229 -173.95931 6.47299 2.38789 -173.64106 712.97973
4095.0000 -180.77214 -173.66637 7.10576 2.34758 -174.34519 688.41897
4100.0000 -179.17148 -173.44178 5.72970 2.40965 -173.26098 702.55223
4105.0000 -179.67955 -174.07502 5.60453 2.36943 -173.96354 665.47131
4110.0000 -180.73849 -174.08555 6.65294 2.37206 -173.91753 715.01297
4115.0000 -181.51590 -174.90946 6.60644 2.33037 -174.64565 654.92592
4120.0000 -180.20554 -173.86076 6.34478 2.31599 -174.89687 659.27982
4125.0000 -180.57064 -173.51846 7.05218 2.38210 -173.74209 691.90569
4130.0000 -180.75436 -173.97741 6.77695 2.38113 -173.75917 699.68105
4135.0000 -181.04676 -173.60895 7.43781 2.37048 -173.94513 693.11972
4140.0000 -179.54573 -173.24417 6.30156 2.40613 -173.32246 732.02535
4145.0000 -180.25534 -173.03585 7.21948 2.46210 -172.34476 753.74346
4150.0000 -179.75427 -173.35599 6.39828 2.41489 -173.16942 703.76012
4155.0000 -179.13015 -172.74627 6.38388 2.42527 -172.98815 723.84063
4160.0000 -180.75232 -174.08446 6.66786 2.39527 -173.51206 689.93849
4165.0000 -179.87046 -172.47928 7.39118 2.40599 -173.32493 719.28514
4170.0000 -179.80105 -173.53090 6.27016 2.44985 -172.55882 749.97519
4175.0000 -180.24950 -173.95192 6.29758 2.41756 -173.12280 716.27260
4180.0000 -180.84802 -174.45858 6.38943 2.35049 -174.29421 648.14567
4185.0000 -179.98325 -173.99001 5.99324 2.35052 -174.29369 661.94549
4190.0000 -179.93444 -173.33904 6.59539 2.40090 -173.41381 676.12171
4195.0000 -178.70342 -172.34446 6.35897 2.44680 -172.61213 752.54966
4200.0000 -180.02367 -174.08864 5.93503 2.43861 -172.75513 733.63015
4205.0000 -179.55081 -172.91749 6.63332 2.42139 -173.05590 711.57399
4210.0000 -179.98268 -173.59048 6.39221 2.44601 -172.62585 715.66002
4215.0000 -178.82227 -172.98068 5.84158 2.41827 -173.11034 688.14825
4220.0000 -179.63841 -173.39944 6.23898 2.41111 -173.23545 694.39221
4225.0000 -179.22979 -172.11734 7.11245 2.40720 -173.30380 712.49625
4230.0000 -180.62770 -174.69286 5.93484 2.37033 -173.94773 695.25091
4235.0000 -179.99298 -173.87245 6.12053 2.36267 -174.08159 685.26645
4240.0000 -180.69898 -174.38090 6.31808 2.33523 -174.56080 643.45390
4245.0000 -179.37125 -171.95369 7.41756 2.39705 -173.48109 708.28217
4250.0000 -180.03072 -173.90275 6.12797 2.40878 -173.27607 697.06756
FREEZING PROCESS: loop number 18 T-loop= 697.00000000000000
main_MD> interactions number 18 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.45199 0.87880 -0.54017
force_rgl> df(natom) 0.58454 0.81984 -2.44711
4255.0000 -181.84601 -175.07376 6.77225 2.35474 -174.22008 683.40493
4260.0000 -179.49498 -173.78314 5.71184 2.33578 -174.55120 653.52279
4265.0000 -181.14799 -173.60688 7.54111 2.38440 -173.70198 715.70176
4270.0000 -182.12353 -174.60740 7.51613 2.34264 -174.43143 695.12369
4275.0000 -181.67629 -175.39328 6.28300 2.27872 -175.54785 659.81048
4280.0000 -181.72874 -175.54059 6.18815 2.27445 -175.62245 641.57268
4285.0000 -180.45563 -174.35612 6.09950 2.30400 -175.10629 650.80121
4290.0000 -179.41558 -171.53759 7.87799 2.44742 -172.60124 704.11122
4295.0000 -180.72565 -173.53659 7.18906 2.41065 -173.24353 718.12305
4300.0000 -180.78360 -173.37814 7.40546 2.39766 -173.47034 714.03459
4305.0000 -181.03960 -174.25520 6.78441 2.39909 -173.44542 727.64797
4310.0000 -181.45408 -174.93535 6.51873 2.36891 -173.97258 699.72412
4315.0000 -181.25738 -175.10807 6.14931 2.32100 -174.80941 671.86100
4320.0000 -180.86816 -174.94542 5.92274 2.33453 -174.57297 664.09800
4325.0000 -181.01264 -174.87500 6.13764 2.29517 -175.26060 632.64855
4330.0000 -181.13927 -174.33415 6.80512 2.34270 -174.43032 655.54592
4335.0000 -178.86721 -172.96919 5.89801 2.36417 -174.05536 668.61751
4340.0000 -180.39934 -173.71354 6.68580 2.38612 -173.67197 711.21232
4345.0000 -179.98205 -173.39660 6.58545 2.38652 -173.66491 714.10749
4350.0000 -180.20841 -174.18174 6.02667 2.34947 -174.31217 675.49816
4355.0000 -179.28690 -173.52443 5.76247 2.36524 -174.03659 673.57656
4360.0000 -180.13182 -173.64974 6.48208 2.36828 -173.98356 676.54145
4365.0000 -180.16408 -173.76589 6.39819 2.39090 -173.58836 698.57609
4370.0000 -179.67660 -172.55985 7.11675 2.44745 -172.60076 742.84467
4375.0000 -179.47899 -173.75133 5.72766 2.38721 -173.65290 666.00231
4380.0000 -180.80398 -174.63695 6.16704 2.36355 -174.06614 665.50600
4385.0000 -181.07048 -174.58132 6.48916 2.33112 -174.63258 671.21857
4390.0000 -181.46532 -175.55967 5.90566 2.32266 -174.78041 655.37030
4395.0000 -181.19938 -174.64716 6.55222 2.29678 -175.23236 627.31435
4400.0000 -181.63328 -174.83226 6.80102 2.29748 -175.22028 642.33399
4405.0000 -179.91830 -174.21399 5.70432 2.31274 -174.95365 673.39847
4410.0000 -180.34523 -172.62655 7.71868 2.39377 -173.53838 713.27008
4415.0000 -179.38655 -172.56347 6.82308 2.40769 -173.29518 724.60509
4420.0000 -180.52511 -173.49234 7.03277 2.40852 -173.28069 742.15805
4425.0000 -180.60061 -173.76526 6.83535 2.39598 -173.49963 707.71120
4430.0000 -181.08573 -175.04376 6.04197 2.34660 -174.36220 671.71330
4435.0000 -181.14438 -174.20816 6.93622 2.30780 -175.03987 668.19148
4440.0000 -180.14509 -174.30495 5.84014 2.33264 -174.60614 662.43282
4445.0000 -180.30954 -173.23976 7.06977 2.39833 -173.45874 708.19058
4450.0000 -180.87425 -174.02540 6.84884 2.40105 -173.41122 718.70697
4455.0000 -179.06295 -172.50749 6.55546 2.38976 -173.60832 722.68493
4460.0000 -178.49737 -172.12991 6.36746 2.43558 -172.80811 714.31396
4465.0000 -180.47548 -172.89196 7.58352 2.45870 -172.40411 738.19160
4470.0000 -180.97817 -174.68231 6.29586 2.41402 -173.18466 706.62971
4475.0000 -180.64682 -173.86808 6.77874 2.38356 -173.71663 705.30733
4480.0000 -178.87733 -172.23913 6.63819 2.47965 -172.03819 766.72305
4485.0000 -180.16901 -173.57271 6.59630 2.43022 -172.90173 706.73402
4490.0000 -180.52525 -173.43892 7.08633 2.41399 -173.18512 722.64367
4495.0000 -179.69152 -173.08764 6.60388 2.42359 -173.01753 724.62042
4500.0000 -179.83559 -173.99176 5.84383 2.38948 -173.61319 669.92133
FREEZING PROCESS: loop number 19 T-loop= 672.00000000000000
main_MD> interactions number 19 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.88535 2.27531 -0.82157
force_rgl> df(natom) -1.25435 -0.85404 -1.79095
4505.0000 -179.35583 -173.91850 5.43733 2.36054 -174.11876 661.48100
4510.0000 -181.37609 -175.23354 6.14255 2.35304 -174.24975 685.82859
4515.0000 -181.66478 -175.36046 6.30432 2.29301 -175.29821 664.36853
4520.0000 -180.73717 -174.67774 6.05943 2.31560 -174.90367 644.39621
4525.0000 -180.82959 -174.26689 6.56270 2.36626 -174.01888 668.45221
4530.0000 -181.77023 -176.52946 5.24077 2.28485 -175.44081 661.45983
4535.0000 -182.67018 -177.23210 5.43808 2.19970 -176.92809 606.74348
4540.0000 -180.51551 -174.33624 6.17927 2.27572 -175.60020 667.22770
4545.0000 -180.67652 -174.01985 6.65667 2.36804 -173.98767 683.02358
4550.0000 -180.56435 -173.51851 7.04583 2.37670 -173.83647 700.52684
4555.0000 -180.13126 -173.88140 6.24986 2.39978 -173.43337 693.52590
4560.0000 -182.08484 -174.99202 7.09281 2.35042 -174.29545 675.33428
4565.0000 -181.41982 -175.12629 6.29352 2.30173 -175.14595 645.50866
4570.0000 -183.50309 -177.15413 6.34897 2.25514 -175.95981 643.00797
4575.0000 -181.80910 -175.29429 6.51480 2.24200 -176.18920 630.19065
4580.0000 -180.55506 -174.21019 6.34487 2.31051 -174.99257 668.46060
4585.0000 -180.39662 -173.99564 6.40098 2.36007 -174.12691 696.25024
4590.0000 -182.19422 -175.26873 6.92549 2.31640 -174.88972 666.70932
4595.0000 -181.23233 -175.20542 6.02691 2.33470 -174.57015 677.51405
4600.0000 -181.05186 -174.30208 6.74978 2.37171 -173.92361 705.11882
4605.0000 -181.42657 -175.66168 5.76488 2.29998 -175.17657 622.76285
4610.0000 -182.12956 -175.55916 6.57039 2.28027 -175.52073 629.91106
4615.0000 -182.10185 -176.21698 5.88487 2.24821 -176.08077 614.36161
4620.0000 -180.67874 -174.90143 5.77730 2.30631 -175.06590 654.72232
4625.0000 -181.20844 -174.70863 6.49981 2.30268 -175.12945 630.95480
4630.0000 -179.71241 -174.88607 4.82633 2.30149 -175.15007 623.44061
4635.0000 -180.51629 -174.12928 6.38701 2.32783 -174.69007 658.73428
4640.0000 -181.62320 -174.44873 7.17447 2.33360 -174.58930 650.14007
4645.0000 -179.89240 -172.92003 6.97237 2.43435 -172.82950 734.00794
4650.0000 -181.26613 -173.43262 7.83351 2.37897 -173.79687 692.94462
4655.0000 -180.64036 -173.84612 6.79424 2.38849 -173.63053 694.34986
4660.0000 -180.43771 -174.33371 6.10400 2.37000 -173.95353 685.32779
4665.0000 -179.72274 -173.39109 6.33165 2.37323 -173.89710 674.05098
4670.0000 -179.12853 -171.56543 7.56310 2.43394 -172.83664 729.56907
4675.0000 -181.17563 -173.47243 7.70320 2.48021 -172.02851 776.31513
4680.0000 -179.79230 -173.20534 6.58696 2.40236 -173.38831 704.60903
4685.0000 -179.55938 -172.63558 6.92380 2.48015 -172.02959 780.93596
4690.0000 -179.88668 -172.89441 6.99227 2.40110 -173.41024 729.26362
4695.0000 -180.47495 -173.58669 6.88826 2.42095 -173.06354 735.55242
4700.0000 -180.39207 -172.98951 7.40256 2.41665 -173.13864 692.90315
4705.0000 -179.78942 -172.72101 7.06841 2.41887 -173.09987 734.61329
4710.0000 -180.97253 -174.01708 6.95545 2.38173 -173.74860 700.38625
4715.0000 -179.11998 -172.74325 6.37673 2.39451 -173.52537 696.46212
4720.0000 -180.58890 -172.98300 7.60590 2.43783 -172.76877 734.96011
4725.0000 -178.68462 -171.68269 7.00193 2.44978 -172.55993 739.53749
4730.0000 -179.91170 -172.00490 7.90680 2.45469 -172.47430 730.98355
4735.0000 -180.69642 -174.75375 5.94267 2.42027 -173.07537 728.94184
4740.0000 -179.82723 -172.52584 7.30140 2.37451 -173.87465 694.67882
4745.0000 -181.21910 -176.07360 5.14550 2.29995 -175.17711 651.22043
4750.0000 -181.89313 -176.18920 5.70393 2.26826 -175.73066 620.15850
FREEZING PROCESS: loop number 20 T-loop= 647.00000000000000
main_MD> interactions number 20 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22301 -1.51844 2.33983
force_rgl> df(natom) 2.17819 -2.24983 0.65744
4755.0000 -182.19683 -175.44529 6.75155 2.22873 -176.42113 573.16562
4760.0000 -181.74254 -174.64859 7.09396 2.28765 -175.39195 655.02078
4765.0000 -181.24849 -174.79408 6.45442 2.34821 -174.33418 699.64094
4770.0000 -182.03083 -175.45471 6.57612 2.30421 -175.10273 661.05989
4775.0000 -181.00780 -174.36428 6.64352 2.30374 -175.11085 648.93701
4780.0000 -181.78768 -175.37328 6.41439 2.35022 -174.29906 664.22297
4785.0000 -182.70375 -177.66589 5.03786 2.21779 -176.61215 608.46346
4790.0000 -182.14329 -176.20358 5.93971 2.23525 -176.30717 572.61074
4795.0000 -182.70984 -176.96873 5.74112 2.22839 -176.42692 598.67914
4800.0000 -182.16773 -175.48682 6.68091 2.21034 -176.74224 591.82277
4805.0000 -183.12140 -177.22574 5.89566 2.22756 -176.44155 617.34295
4810.0000 -181.80041 -176.42112 5.37928 2.19012 -177.09552 582.43080
4815.0000 -182.15613 -175.15763 6.99849 2.28966 -175.35678 654.98059
4820.0000 -179.81761 -173.62455 6.19306 2.34587 -174.37490 660.86618
4825.0000 -180.24682 -174.22378 6.02304 2.37127 -173.93136 665.65996
4830.0000 -181.34390 -174.80128 6.54262 2.33387 -174.58462 633.54199
4835.0000 -181.52057 -176.55886 4.96171 2.28505 -175.43739 651.36770
4840.0000 -181.49672 -174.72836 6.76836 2.23034 -176.39300 595.52457
4845.0000 -182.58535 -177.56991 5.01544 2.26006 -175.87378 629.60975
4850.0000 -182.33340 -176.36909 5.96431 2.19456 -177.01785 585.36644
4855.0000 -182.67596 -176.85584 5.82012 2.19668 -176.98078 580.78086
4860.0000 -183.65509 -177.32027 6.33482 2.15319 -177.74051 559.83865
4865.0000 -181.41912 -176.04474 5.37437 2.21945 -176.58322 612.81797
4870.0000 -181.04192 -174.90866 6.13326 2.26441 -175.79791 617.62766
4875.0000 -180.57453 -174.46312 6.11141 2.32073 -174.81418 662.03724
4880.0000 -180.61527 -174.88483 5.73044 2.33716 -174.52707 637.97380
4885.0000 -181.21133 -175.62241 5.58892 2.28889 -175.37027 627.80609
4890.0000 -180.71443 -174.01338 6.70105 2.31855 -174.85223 637.14300
4895.0000 -180.84434 -175.16024 5.68410 2.32356 -174.76461 667.20957
4900.0000 -181.49568 -175.53917 5.95651 2.29241 -175.30879 621.10794
4905.0000 -181.95959 -175.01765 6.94194 2.30765 -175.04255 651.43763
4910.0000 -180.93005 -174.49786 6.43218 2.27129 -175.67765 628.34069
4915.0000 -182.03005 -176.46782 5.56222 2.26459 -175.79469 637.24040
4920.0000 -182.37279 -177.24594 5.12685 2.21756 -176.61620 590.51081
4925.0000 -182.11163 -175.43525 6.67638 2.22988 -176.40089 615.32957
4930.0000 -181.67798 -175.91156 5.76642 2.30113 -175.15650 652.59796
4935.0000 -180.26135 -174.83694 5.42441 2.29716 -175.22578 620.51208
4940.0000 -181.17676 -174.47305 6.70371 2.34281 -174.42840 648.20190
4945.0000 -180.07899 -173.83709 6.24189 2.35523 -174.21150 664.84508
4950.0000 -179.45152 -174.09676 5.35476 2.33504 -174.56412 669.15730
4955.0000 -180.16722 -172.77835 7.38887 2.37266 -173.90708 680.58109
4960.0000 -180.55881 -174.42732 6.13149 2.40814 -173.28736 709.78638
4965.0000 -180.73200 -174.26318 6.46882 2.36363 -174.06474 687.46422
4970.0000 -180.65172 -175.10618 5.54554 2.33367 -174.58813 665.16919
4975.0000 -181.44445 -175.84352 5.60093 2.32827 -174.68234 675.27047
4980.0000 -181.17895 -175.36095 5.81800 2.31405 -174.93071 646.38478
4985.0000 -181.31856 -175.09586 6.22270 2.31734 -174.87336 659.85955
4990.0000 -182.06328 -176.67427 5.38901 2.25208 -176.01321 626.94257
4995.0000 -181.65251 -175.38584 6.26666 2.25172 -176.01951 622.46486
5000.0000 -180.20874 -173.68194 6.52680 2.35985 -174.13078 686.02943
FREEZING PROCESS: loop number 21 T-loop= 622.00000000000000
main_MD> interactions number 21 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83125 1.46228 0.86470
force_rgl> df(natom) -0.62972 -0.21647 -2.36957
5005.0000 -181.55217 -174.93555 6.61662 2.33894 -174.49599 669.11997
5010.0000 -181.77481 -174.99195 6.78286 2.30276 -175.12800 647.41031
5015.0000 -182.39448 -176.72573 5.66874 2.25293 -175.99843 618.70965
5020.0000 -180.82755 -175.22522 5.60233 2.22784 -176.43661 591.72621
5025.0000 -181.44445 -175.28551 6.15894 2.25533 -175.95649 604.25120
5030.0000 -180.56874 -174.08746 6.48128 2.32901 -174.66950 661.88589
5035.0000 -181.19531 -176.46702 4.72829 2.33296 -174.60041 656.20015
5040.0000 -183.79058 -178.03564 5.75494 2.18785 -177.13512 556.50901
5045.0000 -182.78162 -176.64394 6.13768 2.19372 -177.03259 574.92107
5050.0000 -181.22811 -175.05465 6.17346 2.22568 -176.47437 604.07174
5055.0000 -181.41624 -175.85505 5.56120 2.28453 -175.44648 630.52262
5060.0000 -181.10827 -175.60462 5.50365 2.28125 -175.50371 602.37641
5065.0000 -180.32569 -174.79239 5.53330 2.29824 -175.20696 635.71339
5070.0000 -182.01587 -175.11608 6.89979 2.26565 -175.77616 642.43247
5075.0000 -180.57010 -174.66434 5.90577 2.34309 -174.42354 682.25583
5080.0000 -181.15997 -176.02657 5.13341 2.27557 -175.60296 624.31151
5085.0000 -182.34120 -176.42171 5.91949 2.25745 -175.91949 597.02740
5090.0000 -181.98836 -176.74565 5.24270 2.26243 -175.83245 629.28117
5095.0000 -181.84530 -176.14271 5.70259 2.24539 -176.13005 621.78818
5100.0000 -181.43576 -175.01509 6.42067 2.27283 -175.65084 615.52663
5105.0000 -181.87664 -175.76432 6.11233 2.26948 -175.70932 631.77569
5110.0000 -180.53368 -175.66615 4.86753 2.28203 -175.49008 613.17934
5115.0000 -183.07153 -177.47803 5.59350 2.21400 -176.67834 591.07780
5120.0000 -180.58305 -175.99140 4.59165 2.21636 -176.63718 581.90816
5125.0000 -181.37003 -175.09433 6.27569 2.26573 -175.77484 599.32946
5130.0000 -180.58959 -173.82505 6.76454 2.36931 -173.96557 686.72500
5135.0000 -181.89999 -175.55107 6.34892 2.32674 -174.70909 672.25790
5140.0000 -180.66248 -175.22799 5.43450 2.31555 -174.90459 674.35941
5145.0000 -181.98616 -175.82096 6.16521 2.24986 -176.05190 640.81408
5150.0000 -182.53516 -176.59954 5.93562 2.22494 -176.48732 608.32408
5155.0000 -183.44898 -178.81590 4.63308 2.14668 -177.85420 549.51162
5160.0000 -182.52713 -176.43429 6.09284 2.14226 -177.93145 570.29004
5165.0000 -182.04148 -176.84735 5.19413 2.22494 -176.48721 602.93682
5170.0000 -182.06931 -175.42768 6.64163 2.23888 -176.24379 600.99433
5175.0000 -181.98470 -176.24967 5.73502 2.25554 -175.95268 630.54660
5180.0000 -181.97608 -176.85042 5.12566 2.25612 -175.94259 615.83027
5185.0000 -181.69202 -175.32269 6.36933 2.22381 -176.50704 593.07549
5190.0000 -181.03253 -175.88277 5.14975 2.29731 -175.22321 637.31809
5195.0000 -182.29946 -176.18109 6.11837 2.27233 -175.65946 622.31415
5200.0000 -181.98469 -176.52494 5.45976 2.24320 -176.16834 600.51069
5205.0000 -182.18097 -177.01105 5.16991 2.25615 -175.94212 620.45355
5210.0000 -181.21515 -175.13215 6.08300 2.26251 -175.83106 612.25054
5215.0000 -182.08641 -176.52329 5.56312 2.25626 -175.94021 611.94905
5220.0000 -181.62392 -175.67548 5.94845 2.27616 -175.59267 618.06281
5225.0000 -181.58491 -175.67204 5.91288 2.27211 -175.66341 614.02981
5230.0000 -181.72446 -175.32941 6.39505 2.29283 -175.30147 632.85124
5235.0000 -181.24105 -176.17216 5.06888 2.26392 -175.80639 613.78254
5240.0000 -181.49140 -176.04354 5.44786 2.25501 -175.96203 602.60128
5245.0000 -182.11360 -176.66288 5.45072 2.25569 -175.95016 626.16191
5250.0000 -181.72728 -175.14489 6.58239 2.28029 -175.52050 636.71098
FREEZING PROCESS: loop number 22 T-loop= 597.00000000000000
main_MD> interactions number 22 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22948 -0.36832 -3.35013
force_rgl> df(natom) -0.69863 -0.35238 -2.22041
5255.0000 -181.87575 -177.05653 4.81922 2.26512 -175.78545 616.63275
5260.0000 -181.55842 -176.41633 5.14209 2.20947 -176.75741 589.90947
5265.0000 -181.25533 -175.25257 6.00276 2.27650 -175.58659 634.52159
5270.0000 -182.31213 -175.90445 6.40769 2.25553 -175.95287 629.01196
5275.0000 -182.05911 -175.74740 6.31170 2.25075 -176.03651 621.24243
5280.0000 -183.30085 -177.89318 5.40767 2.20241 -176.88080 601.61501
5285.0000 -183.16021 -177.78279 5.37742 2.14665 -177.85472 535.18913
5290.0000 -183.67896 -178.43849 5.24047 2.11623 -178.38613 533.85059
5295.0000 -182.91792 -177.46544 5.45248 2.14624 -177.86181 558.16239
5300.0000 -182.74858 -176.47885 6.26972 2.19286 -177.04752 602.60579
5305.0000 -181.32969 -175.90432 5.42537 2.23829 -176.25414 626.21907
5310.0000 -181.73363 -175.68880 6.04483 2.26411 -175.80299 617.72970
5315.0000 -181.70985 -177.07039 4.63946 2.27569 -175.60080 645.14339
5320.0000 -181.76671 -175.84469 5.92202 2.24171 -176.19433 600.55866
5325.0000 -181.99362 -176.19893 5.79469 2.27521 -175.60919 597.78697
5330.0000 -183.35078 -177.04832 6.30246 2.23267 -176.35216 581.08525
5335.0000 -182.88428 -177.37395 5.51033 2.18380 -177.20576 588.26202
5340.0000 -183.63865 -177.79225 5.84640 2.17509 -177.35789 591.07450
5345.0000 -183.95209 -178.02316 5.92893 2.14791 -177.83266 568.85947
5350.0000 -182.62666 -177.81190 4.81476 2.14880 -177.81721 561.44025
5355.0000 -183.22190 -177.82917 5.39274 2.15429 -177.72131 566.46149
5360.0000 -183.21644 -177.48699 5.72945 2.17307 -177.39318 565.41764
5365.0000 -183.11978 -177.38611 5.73367 2.17118 -177.42633 574.31514
5370.0000 -181.91633 -176.64053 5.27580 2.20639 -176.81129 572.30824
5375.0000 -181.53572 -176.31090 5.22481 2.19109 -177.07849 560.98121
5380.0000 -181.71329 -176.26932 5.44397 2.23359 -176.33616 572.88943
5385.0000 -182.57748 -176.87856 5.69891 2.20992 -176.74954 575.44477
5390.0000 -181.93779 -175.88397 6.05382 2.22324 -176.51699 599.25911
5395.0000 -182.43227 -177.14113 5.29114 2.22709 -176.44965 596.74337
5400.0000 -181.34225 -176.43982 4.90242 2.20880 -176.76915 557.42771
5405.0000 -180.29067 -175.16886 5.12180 2.25932 -175.88675 577.76469
5410.0000 -180.48456 -174.15857 6.32599 2.32395 -174.75788 637.25871
5415.0000 -181.63191 -176.94983 4.68208 2.25818 -175.90657 609.50006
5420.0000 -180.50518 -175.85202 4.65316 2.19690 -176.97699 570.91171
5425.0000 -182.63440 -177.41504 5.21936 2.24293 -176.17301 605.79919
5430.0000 -181.87291 -175.74646 6.12645 2.19245 -177.05479 562.34268
5435.0000 -182.29307 -176.10072 6.19235 2.27184 -175.66804 624.82204
5440.0000 -181.70803 -175.47399 6.23404 2.29158 -175.32325 658.59053
5445.0000 -182.80906 -177.05329 5.75576 2.25055 -176.03988 627.70750
5450.0000 -182.25191 -175.91377 6.33813 2.21027 -176.74342 598.03420
5455.0000 -181.63001 -174.56932 7.06069 2.32208 -174.79053 663.07851
5460.0000 -181.96761 -176.13575 5.83187 2.26741 -175.74542 617.30824
5465.0000 -182.86125 -176.38246 6.47879 2.22781 -176.43717 603.64891
5470.0000 -182.08030 -175.92930 6.15101 2.24641 -176.11232 609.67643
5475.0000 -181.50332 -176.01723 5.48609 2.26841 -175.72799 620.15071
5480.0000 -181.97785 -176.09557 5.88228 2.22034 -176.56753 577.16616
5485.0000 -183.16173 -178.14549 5.01624 2.17894 -177.29069 573.21400
5490.0000 -181.76320 -176.10963 5.65357 2.15813 -177.65426 568.98296
5495.0000 -182.66156 -176.58471 6.07685 2.23584 -176.29690 619.11993
5500.0000 -181.76111 -176.21638 5.54473 2.21876 -176.59513 615.50100
FREEZING PROCESS: loop number 23 T-loop= 572.00000000000000
main_MD> interactions number 23 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02004 -0.56334 -0.25561
force_rgl> df(natom) 0.31187 1.10876 0.00417
5505.0000 -182.39617 -178.16587 4.23030 2.19653 -176.98341 592.03377
5510.0000 -183.64219 -178.17121 5.47098 2.11569 -178.39555 539.35575
5515.0000 -183.47350 -177.13782 6.33568 2.17400 -177.37700 589.60548
5520.0000 -182.04589 -176.05169 5.99420 2.22397 -176.50423 589.53495
5525.0000 -182.56972 -177.01592 5.55380 2.21622 -176.63964 589.29523
5530.0000 -181.49794 -176.99673 4.50121 2.20811 -176.78129 568.16337
5535.0000 -182.78714 -177.65733 5.12981 2.21504 -176.66022 575.01252
5540.0000 -182.21791 -176.92522 5.29269 2.17726 -177.31999 552.33854
5545.0000 -182.22142 -176.86481 5.35661 2.22352 -176.51206 592.47315
5550.0000 -183.29672 -178.18728 5.10944 2.14886 -177.81612 553.13502
5555.0000 -182.78997 -177.81163 4.97833 2.13903 -177.98781 539.68422
5560.0000 -182.02637 -176.74433 5.28204 2.15854 -177.64704 555.41009
5565.0000 -182.36907 -177.23516 5.13391 2.19769 -176.96330 590.79132
5570.0000 -181.89679 -176.92142 4.97537 2.18431 -177.19687 579.37250
5575.0000 -182.46410 -177.04295 5.42115 2.21569 -176.64878 603.23525
5580.0000 -183.01493 -177.89626 5.11866 2.18221 -177.23352 562.94441
5585.0000 -182.65810 -176.97405 5.68405 2.19351 -177.03631 580.04617
5590.0000 -182.66026 -177.37423 5.28603 2.16599 -177.51696 570.12092
5595.0000 -182.44564 -177.00080 5.44484 2.18004 -177.27160 583.07004
5600.0000 -181.79007 -176.32519 5.46488 2.20866 -176.77162 603.76193
5605.0000 -182.91953 -177.42589 5.49364 2.19347 -177.03697 589.42304
5610.0000 -183.52073 -179.10775 4.41298 2.12079 -178.30647 519.49870
5615.0000 -183.04497 -177.77100 5.27397 2.10257 -178.62460 539.76542
5620.0000 -183.70700 -178.32886 5.37815 2.16558 -177.52403 588.11534
5625.0000 -183.11935 -177.46843 5.65092 2.12805 -178.17955 547.69648
5630.0000 -183.47686 -177.48434 5.99253 2.16213 -177.58429 572.76432
5635.0000 -182.73676 -176.32797 6.40879 2.19706 -176.97425 594.73756
5640.0000 -183.16646 -177.52745 5.63901 2.19756 -176.96543 605.16162
5645.0000 -183.13190 -178.02343 5.10848 2.17725 -177.32029 569.90084
5650.0000 -183.17390 -177.24591 5.92799 2.17553 -177.35036 565.31536
5655.0000 -183.07092 -177.71407 5.35685 2.14897 -177.81427 549.45494
5660.0000 -182.97487 -177.28470 5.69017 2.17262 -177.40113 573.03909
5665.0000 -182.57240 -177.52239 5.05001 2.17048 -177.43854 577.67450
5670.0000 -182.14677 -177.00087 5.14590 2.21243 -176.70580 610.43275
5675.0000 -181.62598 -176.45880 5.16719 2.21889 -176.59295 579.65585
5680.0000 -181.62184 -175.86552 5.75631 2.22772 -176.43866 597.75529
5685.0000 -182.62608 -177.69066 4.93542 2.21022 -176.74433 583.25171
5690.0000 -182.07523 -176.61950 5.45574 2.16942 -177.45708 557.48103
5695.0000 -183.12944 -177.31095 5.81849 2.22332 -176.51559 575.86338
5700.0000 -183.34581 -177.14934 6.19647 2.20850 -176.77440 573.03124
5705.0000 -183.48534 -177.83093 5.65441 2.17418 -177.37389 583.89131
5710.0000 -184.14063 -178.92531 5.21531 2.12226 -178.28079 544.96373
5715.0000 -181.83216 -176.98384 4.84832 2.13517 -178.05527 546.00863
5720.0000 -183.21644 -177.23486 5.98158 2.18532 -177.17922 564.44713
5725.0000 -182.08700 -176.32834 5.75865 2.21437 -176.67187 569.48248
5730.0000 -182.59809 -177.35663 5.24146 2.20336 -176.86422 555.78595
5735.0000 -182.71239 -178.50338 4.20901 2.16014 -177.61917 548.94323
5740.0000 -183.32035 -178.02355 5.29680 2.13135 -178.12205 544.67902
5745.0000 -182.13272 -177.15109 4.98163 2.15131 -177.77339 557.73550
5750.0000 -182.54848 -177.63911 4.90937 2.16350 -177.56044 552.76474
FREEZING PROCESS: loop number 24 T-loop= 547.00000000000000
main_MD> interactions number 24 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.41839 2.02296 -2.12141
force_rgl> df(natom) 2.70260 -2.11326 0.62683
5755.0000 -183.34324 -177.57048 5.77276 2.16887 -177.46669 565.18953
5760.0000 -182.97733 -177.39907 5.57826 2.18885 -177.11762 555.51206
5765.0000 -181.35642 -176.31528 5.04114 2.17131 -177.42396 560.12627
5770.0000 -181.45793 -176.14030 5.31763 2.25162 -176.02117 594.01972
5775.0000 -182.60468 -177.34295 5.26173 2.20267 -176.87630 556.05122
5780.0000 -182.86371 -177.38921 5.47450 2.16206 -177.58561 561.25554
5785.0000 -183.95355 -178.25326 5.70029 2.14956 -177.80384 568.98428
5790.0000 -182.95063 -176.78473 6.16590 2.18085 -177.25730 592.50964
5795.0000 -182.37851 -177.56803 4.81047 2.18509 -177.18332 573.55957
5800.0000 -182.29491 -177.14305 5.15186 2.18833 -177.12666 573.11484
5805.0000 -182.54033 -177.66575 4.87459 2.16162 -177.59331 536.69485
5810.0000 -182.83627 -177.71908 5.11719 2.15489 -177.71085 551.44640
5815.0000 -183.23181 -178.06723 5.16458 2.16834 -177.47592 549.87663
5820.0000 -182.34254 -176.50125 5.84128 2.16658 -177.50667 536.68277
5825.0000 -181.74981 -175.71767 6.03215 2.27872 -175.54781 615.14928
5830.0000 -181.67412 -176.07630 5.59782 2.24194 -176.19023 585.98269
5835.0000 -182.85432 -177.27081 5.58351 2.21606 -176.64242 579.09906
5840.0000 -182.97730 -177.85971 5.11759 2.17132 -177.42390 566.47440
5845.0000 -182.61762 -178.19368 4.42394 2.13043 -178.13808 537.10811
5850.0000 -183.17634 -177.45023 5.72611 2.16975 -177.45124 569.29910
5855.0000 -182.80476 -176.87569 5.92907 2.15867 -177.64473 583.90079
5860.0000 -182.30553 -177.01947 5.28606 2.23052 -176.38972 618.10582
5865.0000 -182.53282 -177.16443 5.36840 2.19373 -177.03235 579.52882
5870.0000 -183.35959 -177.42775 5.93184 2.16685 -177.50191 561.01627
5875.0000 -182.00363 -177.33579 4.66784 2.18593 -177.16859 576.33973
5880.0000 -182.88850 -178.12837 4.76013 2.13661 -178.03005 524.81091
5885.0000 -183.32190 -177.62389 5.69801 2.11637 -178.38360 523.05739
5890.0000 -182.36061 -177.46728 4.89332 2.15339 -177.73696 556.81652
5895.0000 -183.46027 -177.54699 5.91328 2.19256 -177.05277 585.16932
5900.0000 -183.75546 -178.42773 5.32773 2.12447 -178.24215 538.83714
5905.0000 -183.33661 -178.85687 4.47974 2.09600 -178.73949 528.02505
5910.0000 -183.00247 -177.66859 5.33388 2.14604 -177.86535 563.49524
5915.0000 -183.33186 -178.25803 5.07383 2.11711 -178.37071 551.59917
5920.0000 -184.56487 -179.97484 4.59003 2.08173 -178.98862 531.97459
5925.0000 -184.59103 -180.05547 4.53556 2.02396 -179.99773 540.37681
5930.0000 -184.56397 -179.30590 5.25808 2.04391 -179.64926 549.69394
5935.0000 -184.95225 -179.62165 5.33060 2.06507 -179.27974 573.46868
5940.0000 -185.98143 -180.29368 5.68775 2.01638 -180.13023 514.47388
5945.0000 -183.81322 -178.27120 5.54201 2.05495 -179.45643 556.84375
5950.0000 -184.54486 -178.23018 6.31468 2.11318 -178.43935 592.15388
5955.0000 -184.52212 -179.07890 5.44322 2.11473 -178.41225 596.57702
5960.0000 -185.10872 -179.25255 5.85617 2.06069 -179.35625 536.65142
5965.0000 -184.81817 -179.80546 5.01270 2.05386 -179.47542 527.93801
5970.0000 -184.69049 -179.06086 5.62962 2.05277 -179.49445 535.72322
5975.0000 -183.83648 -178.34340 5.49307 2.07977 -179.02298 576.63321
5980.0000 -185.17576 -179.73988 5.43588 2.10553 -178.57299 596.79183
5985.0000 -184.71982 -179.51998 5.19984 2.05726 -179.41601 552.07609
5990.0000 -185.40629 -179.56908 5.83722 2.05339 -179.48361 521.44430
5995.0000 -184.10389 -179.04314 5.06075 2.05861 -179.39244 532.10609
6000.0000 -183.78901 -178.96819 4.82082 2.08430 -178.94380 548.06156
FREEZING PROCESS: loop number 25 T-loop= 522.00000000000000
main_MD> interactions number 25 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88036 0.97184 -0.99597
force_rgl> df(natom) -2.08407 3.56765 -3.73343
6005.0000 -184.26085 -179.41674 4.84411 2.05994 -179.36927 502.24340
6010.0000 -183.41512 -178.75869 4.65644 2.06828 -179.22360 511.33870
6015.0000 -183.22368 -178.98594 4.23774 2.08440 -178.94202 508.73309
6020.0000 -183.17009 -177.40269 5.76740 2.14041 -177.96380 516.38952
6025.0000 -182.04854 -177.06504 4.98350 2.15993 -177.62281 541.60199
6030.0000 -182.09464 -176.50375 5.59090 2.20473 -176.84028 577.66710
6035.0000 -182.43562 -176.89917 5.53645 2.24850 -176.07580 592.32397
6040.0000 -181.91246 -177.92620 3.98627 2.16550 -177.52545 548.25317
6045.0000 -183.07283 -178.25290 4.81993 2.15759 -177.66359 537.08703
6050.0000 -184.96178 -179.25675 5.70503 2.13091 -178.12964 535.05505
6055.0000 -183.28375 -178.80254 4.48121 2.10323 -178.61313 528.89571
6060.0000 -184.44959 -179.85813 4.59146 2.05937 -179.37921 496.86022
6065.0000 -183.41187 -178.14661 5.26526 2.10289 -178.61912 517.71066
6070.0000 -184.64270 -179.83884 4.80385 2.07598 -179.08909 515.20199
6075.0000 -183.08478 -179.09182 3.99295 2.06807 -179.22727 499.76069
6080.0000 -183.29660 -178.43307 4.86353 2.11642 -178.38278 527.03880
6085.0000 -183.80584 -178.77307 5.03277 2.06953 -179.20173 492.71562
6090.0000 -182.81397 -177.09598 5.71799 2.15133 -177.77299 558.56148
6095.0000 -183.36206 -178.52003 4.84203 2.14790 -177.83293 530.03133
6100.0000 -183.13486 -177.98796 5.14690 2.10888 -178.51453 509.02772
6105.0000 -184.30647 -179.08601 5.22045 2.12097 -178.30331 519.63666
6110.0000 -184.23173 -179.54734 4.68440 2.04853 -179.56853 471.02633
6115.0000 -184.01528 -178.41589 5.59938 2.09068 -178.83240 508.59403
6120.0000 -183.01935 -178.07776 4.94159 2.11888 -178.33973 519.81576
6125.0000 -183.14867 -178.18686 4.96180 2.14434 -177.89511 546.32071
6130.0000 -183.09692 -177.53626 5.56065 2.13350 -178.08436 545.10442
6135.0000 -183.68426 -178.48775 5.19651 2.15337 -177.73732 539.22306
6140.0000 -182.10297 -177.64213 4.46084 2.15257 -177.75134 554.30138
6145.0000 -183.52298 -178.83177 4.69121 2.13056 -178.13584 530.85885
6150.0000 -183.76520 -178.13303 5.63217 2.10349 -178.60857 514.63496
6155.0000 -182.73830 -177.62064 5.11766 2.12663 -178.20450 525.12290
6160.0000 -183.18025 -176.74243 6.43783 2.17420 -177.37352 563.18819
6165.0000 -182.85314 -177.59208 5.26106 2.17384 -177.37983 565.56202
6170.0000 -183.54527 -178.81219 4.73308 2.15930 -177.63370 561.60612
6175.0000 -183.52156 -178.02889 5.49267 2.12509 -178.23135 538.95695
6180.0000 -184.09088 -178.69493 5.39594 2.12509 -178.23132 557.25498
6185.0000 -184.09914 -178.41256 5.68659 2.09073 -178.83145 513.19027
6190.0000 -182.82667 -177.55914 5.26753 2.10128 -178.64715 508.94940
6195.0000 -182.00587 -176.57440 5.43148 2.19958 -176.93014 571.90958
6200.0000 -182.31297 -177.25931 5.05366 2.21556 -176.65104 575.86750
6205.0000 -183.26679 -178.62322 4.64357 2.17916 -177.28694 551.29699
6210.0000 -182.29621 -177.81291 4.48330 2.12716 -178.19518 535.46305
6215.0000 -183.29377 -178.31507 4.97869 2.15667 -177.67977 553.24105
6220.0000 -183.43378 -179.07189 4.36188 2.10249 -178.62602 521.11810
6225.0000 -183.92050 -178.76686 5.15364 2.08740 -178.88962 514.10594
6230.0000 -182.45100 -177.43776 5.01324 2.13471 -178.06332 523.72473
6235.0000 -182.72556 -178.70910 4.01646 2.14051 -177.96199 521.30618
6240.0000 -185.05828 -180.01511 5.04317 2.08631 -178.90872 500.24565
6245.0000 -183.83312 -179.34630 4.48682 2.02631 -179.95676 456.18455
6250.0000 -183.82574 -178.99660 4.82913 2.06332 -179.31018 503.11504
FREEZING PROCESS: loop number 26 T-loop= 497.00000000000000
main_MD> interactions number 26 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25443 1.34548 0.76618
force_rgl> df(natom) -2.62154 -0.53344 0.44095
6255.0000 -184.91123 -179.95627 4.95496 2.02659 -179.95180 476.80921
6260.0000 -184.48645 -179.98988 4.49657 2.04072 -179.70496 478.45363
6265.0000 -183.99665 -178.88231 5.11434 2.05989 -179.37018 492.40761
6270.0000 -183.75365 -178.82242 4.93123 2.10224 -178.63036 518.76448
6275.0000 -184.58229 -180.14700 4.43529 2.06388 -179.30042 493.51603
6280.0000 -184.81394 -180.24601 4.56793 2.01940 -180.07744 476.49062
6285.0000 -184.75817 -180.36984 4.38833 2.01569 -180.14211 475.93231
6290.0000 -183.70518 -178.65249 5.05269 2.04776 -179.58197 503.41597
6295.0000 -185.03269 -179.60531 5.42738 2.07050 -179.18481 538.13566
6300.0000 -183.40928 -179.00064 4.40864 2.03964 -179.72386 493.63920
6305.0000 -184.21930 -178.94999 5.26931 2.08596 -178.91474 511.03229
6310.0000 -184.48500 -178.94100 5.54401 2.04129 -179.69504 479.27460
6315.0000 -184.78333 -180.30880 4.47452 2.05098 -179.52586 503.92469
6320.0000 -184.85285 -180.09797 4.75488 2.03314 -179.83741 478.94208
6325.0000 -183.89957 -178.92439 4.97518 2.04775 -179.58221 487.04223
6330.0000 -183.00035 -178.60687 4.39349 2.08186 -178.98644 518.92728
6335.0000 -184.31188 -179.53837 4.77351 2.06050 -179.35945 496.12158
6340.0000 -184.60887 -179.88664 4.72222 2.02968 -179.89783 470.03868
6345.0000 -184.58114 -180.29559 4.28555 2.00777 -180.28054 470.61614
6350.0000 -184.82521 -180.65809 4.16712 1.98796 -180.62647 447.17408
6355.0000 -184.96557 -180.53329 4.43228 2.00492 -180.33024 454.27816
6360.0000 -183.82348 -179.30925 4.51423 2.03267 -179.84569 490.15312
6365.0000 -184.32801 -179.89326 4.43475 2.04050 -179.70889 502.09518
6370.0000 -184.50349 -180.55052 3.95296 2.03537 -179.79850 491.58053
6375.0000 -184.17008 -179.91541 4.25467 2.01523 -180.15023 467.18672
6380.0000 -184.09644 -179.30432 4.79212 2.06854 -179.21915 489.89299
6385.0000 -183.90198 -179.30691 4.59506 2.05816 -179.40032 481.01544
6390.0000 -184.04024 -179.27390 4.76633 2.07403 -179.12312 502.46921
6395.0000 -183.47165 -178.48899 4.98267 2.09856 -178.69476 525.88913
6400.0000 -184.19535 -179.88091 4.31443 2.06988 -179.19562 503.06693
6405.0000 -184.04772 -179.72832 4.31940 2.04338 -179.65851 473.00368
6410.0000 -184.42640 -180.86885 3.55755 1.99126 -180.56890 425.51733
6415.0000 -184.44814 -180.72695 3.72119 1.99441 -180.51397 432.99161
6420.0000 -184.05123 -179.85102 4.20020 2.00205 -180.38042 443.27508
6425.0000 -183.92652 -179.48017 4.44635 2.03640 -179.78042 451.32219
6430.0000 -184.46650 -179.71807 4.74843 2.04293 -179.66637 472.73020
6435.0000 -184.09566 -179.54972 4.54593 2.06501 -179.28078 497.78126
6440.0000 -183.79780 -178.25403 5.54377 2.08441 -178.94189 510.26757
6445.0000 -183.45172 -178.90735 4.54437 2.08483 -178.93452 519.21796
6450.0000 -184.21708 -179.52285 4.69423 2.05930 -179.38050 490.51307
6455.0000 -182.40612 -177.68893 4.71718 2.09357 -178.78195 521.72384
6460.0000 -184.84033 -180.01284 4.82749 2.09324 -178.78760 524.80237
6465.0000 -185.11375 -180.90683 4.20693 1.99998 -180.41654 473.35812
6470.0000 -184.95798 -180.46087 4.49711 1.99844 -180.44349 466.68599
6475.0000 -184.42835 -179.67502 4.75333 2.03884 -179.73780 498.52814
6480.0000 -184.91431 -180.33808 4.57623 2.01959 -180.07401 472.40689
6485.0000 -183.81663 -179.29778 4.51885 2.01613 -180.13450 460.27845
6490.0000 -184.45667 -179.97594 4.48072 2.03295 -179.84073 485.24398
6495.0000 -184.65578 -180.39019 4.26559 1.98408 -180.69436 455.63130
6500.0000 -184.67633 -180.57847 4.09785 1.99599 -180.48634 464.70669
FREEZING PROCESS: loop number 27 T-loop= 472.00000000000000
main_MD> interactions number 27 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.05035 0.07318 2.31019
force_rgl> df(natom) 1.08816 -0.49655 -2.34949
6505.0000 -185.15885 -180.85371 4.30514 1.97839 -180.79363 454.57929
6510.0000 -184.84673 -181.16144 3.68528 1.96938 -180.95102 438.58599
6515.0000 -184.89492 -180.97098 3.92394 1.97854 -180.79111 460.07300
6520.0000 -185.68822 -181.99648 3.69173 1.91318 -181.93279 383.72013
6525.0000 -185.09405 -181.60408 3.48997 1.91257 -181.94337 392.23463
6530.0000 -183.94554 -180.00277 3.94277 1.95658 -181.17458 423.35004
6535.0000 -185.66499 -180.89577 4.76922 1.98714 -180.64082 455.13081
6540.0000 -184.69125 -180.30193 4.38932 1.99990 -180.41798 465.86240
6545.0000 -183.84066 -179.56237 4.27829 2.02768 -179.93274 498.84131
6550.0000 -184.09651 -180.03990 4.05661 2.04159 -179.68987 500.33416
6555.0000 -184.22920 -180.18939 4.03981 2.00486 -180.33129 464.41743
6560.0000 -184.53250 -180.18953 4.34297 2.00587 -180.31364 472.74874
6565.0000 -184.55960 -180.15701 4.40259 1.99542 -180.49617 461.04452
6570.0000 -184.90878 -180.67236 4.23642 1.99401 -180.52091 450.80600
6575.0000 -185.07949 -180.28204 4.79745 1.99065 -180.57948 459.60651
6580.0000 -184.33581 -180.16087 4.17494 2.00428 -180.34150 454.33321
6585.0000 -184.77811 -180.44877 4.32934 2.00117 -180.39575 446.34827
6590.0000 -184.56110 -179.46147 5.09963 2.04147 -179.69190 487.10462
6595.0000 -184.07668 -179.25897 4.81771 2.07890 -179.03815 514.39550
6600.0000 -184.64277 -180.26954 4.37323 2.04062 -179.70678 477.86704
6605.0000 -183.90472 -180.43234 3.47238 2.00273 -180.36861 471.15358
6610.0000 -184.31179 -180.15636 4.15543 2.00211 -180.37934 475.83020
6615.0000 -183.83944 -179.87558 3.96387 2.01630 -180.13157 479.80915
6620.0000 -184.22933 -179.25969 4.96964 2.05976 -179.37235 511.93948
6625.0000 -185.65688 -180.35582 5.30106 2.03207 -179.85609 535.68503
6630.0000 -185.37054 -181.03369 4.33685 1.97703 -180.81742 499.71061
6635.0000 -185.44963 -180.54195 4.90768 1.97801 -180.80030 494.32650
6640.0000 -185.67453 -180.75382 4.92071 1.98809 -180.62425 507.30235
6645.0000 -185.94046 -181.68341 4.25704 1.96129 -181.09232 482.61145
6650.0000 -186.43800 -181.57385 4.86415 1.92337 -181.75476 456.13688
6655.0000 -186.12196 -181.86593 4.25602 1.92744 -181.68372 461.66411
6660.0000 -186.35058 -181.81307 4.53750 1.90101 -182.14523 437.19432
6665.0000 -185.93166 -182.41753 3.51413 1.92638 -181.70214 467.86504
6670.0000 -186.03815 -181.82078 4.21737 1.90235 -182.12193 439.27920
6675.0000 -186.30291 -181.66273 4.64018 1.92272 -181.76614 453.29618
6680.0000 -185.87058 -180.85286 5.01773 1.91990 -181.81540 447.99873
6685.0000 -185.90601 -181.37546 4.53056 1.96401 -181.04491 487.08536
6690.0000 -185.35105 -181.10670 4.24435 1.98097 -180.74860 501.06145
6695.0000 -185.91557 -180.85372 5.06185 1.98754 -180.63381 511.66434
6700.0000 -185.96134 -181.61581 4.34553 1.95968 -181.12043 496.51946
6705.0000 -185.88613 -181.48121 4.40492 1.92718 -181.68822 463.23692
6710.0000 -185.72823 -181.73273 3.99550 1.92295 -181.76203 466.25422
6715.0000 -185.61602 -181.32630 4.28972 1.92100 -181.79612 466.80435
6720.0000 -185.95251 -181.61323 4.33928 1.93816 -181.49633 484.98974
6725.0000 -186.50478 -181.82380 4.68098 1.93072 -181.62643 452.46765
6730.0000 -185.66536 -181.13818 4.52718 1.93868 -181.48732 477.65986
6735.0000 -186.45908 -182.04625 4.41283 1.95549 -181.19374 492.04770
6740.0000 -186.59437 -181.98251 4.61186 1.89374 -182.27228 437.34793
6745.0000 -186.66407 -182.07780 4.58627 1.91805 -181.84762 456.96841
6750.0000 -186.40531 -182.71703 3.68828 1.90686 -182.04307 456.90954
FREEZING PROCESS: loop number 28 T-loop= 447.00000000000000
main_MD> interactions number 28 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74922 2.42335 1.70488
force_rgl> df(natom) 0.91346 -1.03808 -0.90907
6755.0000 -186.19752 -182.18732 4.01020 1.90510 -182.07379 454.94393
6760.0000 -186.68324 -181.84743 4.83580 1.86610 -182.75510 423.45469
6765.0000 -186.75875 -181.75598 5.00277 1.91809 -181.84690 460.58739
6770.0000 -185.87313 -181.65607 4.21706 1.90468 -182.08115 447.64144
6775.0000 -186.23458 -182.50865 3.72593 1.92621 -181.70515 469.96439
6780.0000 -186.16435 -182.59418 3.57017 1.90896 -182.00649 453.18836
6785.0000 -186.66808 -182.74440 3.92368 1.88788 -182.37463 433.70413
6790.0000 -185.94497 -182.37043 3.57454 1.88486 -182.42737 439.74527
6795.0000 -185.95711 -181.26145 4.69565 1.91565 -181.88956 457.35273
6800.0000 -185.40739 -180.73125 4.67614 1.99307 -180.53724 528.31907
6805.0000 -185.82964 -181.57077 4.25888 1.93774 -181.50379 474.63170
6810.0000 -185.83306 -181.18070 4.65235 1.91429 -181.91328 457.05164
6815.0000 -185.94547 -181.63323 4.31224 1.93075 -181.62589 477.75739
6820.0000 -186.59063 -182.15094 4.43970 1.90452 -182.08406 453.68479
6825.0000 -186.84548 -182.44823 4.39725 1.89152 -182.31108 442.44144
6830.0000 -186.61051 -182.33988 4.27063 1.87914 -182.52735 435.69684
6835.0000 -186.07222 -182.16710 3.90512 1.90034 -182.15695 447.73238
6840.0000 -186.01484 -182.59353 3.42131 1.87735 -182.55849 427.18750
6845.0000 -186.97416 -182.86010 4.11406 1.88093 -182.49608 429.95865
6850.0000 -186.67112 -182.74890 3.92223 1.86091 -182.84574 418.24098
6855.0000 -186.44883 -182.21690 4.23193 1.89645 -182.22498 447.34488
6860.0000 -186.55091 -182.68615 3.86476 1.88850 -182.36375 444.77214
6865.0000 -187.01063 -182.39497 4.61566 1.91172 -181.95823 464.57791
6870.0000 -185.78624 -181.99862 3.78762 1.90595 -182.05902 451.76139
6875.0000 -186.81977 -182.54265 4.27712 1.87377 -182.62106 427.22865
6880.0000 -186.48036 -182.45971 4.02065 1.88337 -182.45336 437.98614
6885.0000 -187.09764 -182.63392 4.46372 1.89518 -182.24705 445.38428
6890.0000 -187.34704 -182.42924 4.91780 1.90223 -182.12403 453.17026
6895.0000 -186.92725 -182.75762 4.16962 1.85681 -182.91738 415.04444
6900.0000 -186.35675 -182.55179 3.80495 1.86238 -182.82008 416.70340
6905.0000 -186.56109 -181.62611 4.93497 1.91723 -181.86199 459.77850
6910.0000 -185.87462 -181.76693 4.10770 1.90521 -182.07186 455.25966
6915.0000 -186.40195 -181.67329 4.72866 1.91867 -181.83686 462.21553
6920.0000 -186.24867 -181.66100 4.58767 1.91115 -181.96813 459.03960
6925.0000 -186.92003 -182.79706 4.12298 1.92605 -181.70797 471.38942
6930.0000 -186.19583 -181.83714 4.35868 1.90032 -182.15741 447.72808
6935.0000 -186.59807 -180.99104 5.60704 1.93625 -181.52973 485.42200
6940.0000 -186.40718 -182.54429 3.86290 1.93206 -181.60293 471.02568
6945.0000 -187.15292 -183.03557 4.11735 1.85304 -182.98320 410.71260
6950.0000 -187.09598 -182.70576 4.39022 1.89574 -182.23740 454.47681
6955.0000 -186.43834 -182.57689 3.86145 1.86963 -182.69346 430.36510
6960.0000 -186.59829 -182.45256 4.14573 1.88183 -182.48039 432.95165
6965.0000 -186.72090 -182.26479 4.45611 1.88770 -182.37774 443.59999
6970.0000 -186.80681 -181.80723 4.99958 1.91254 -181.94383 452.43168
6975.0000 -186.29351 -181.24807 5.04544 1.89826 -182.19325 447.01083
6980.0000 -186.50086 -181.81493 4.68594 1.95832 -181.14420 495.61260
6985.0000 -186.27204 -181.83087 4.44118 1.90715 -182.03806 464.47920
6990.0000 -185.95796 -181.57253 4.38543 1.92460 -181.73329 471.13624
6995.0000 -185.92297 -181.62796 4.29501 1.91560 -181.89054 466.25956
7000.0000 -185.67497 -181.90965 3.76532 1.92866 -181.66233 472.64978
FREEZING PROCESS: loop number 29 T-loop= 422.00000000000000
main_MD> interactions number 29 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.26201 -2.02045 1.57376
force_rgl> df(natom) 0.42502 0.26332 -0.00295
7005.0000 -186.61424 -182.09964 4.51459 1.88601 -182.40738 436.32864
7010.0000 -186.99974 -183.04452 3.95522 1.84340 -183.15162 399.73642
7015.0000 -186.61124 -182.91864 3.69260 1.86886 -182.70677 428.27866
7020.0000 -186.93040 -183.09278 3.83762 1.84938 -183.04711 402.93426
7025.0000 -186.88043 -182.93506 3.94537 1.85552 -182.93991 411.14411
7030.0000 -187.27266 -182.96263 4.31003 1.86122 -182.84038 415.66923
7035.0000 -186.97821 -182.69851 4.27970 1.83743 -183.25578 392.90291
7040.0000 -186.58290 -182.59779 3.98511 1.88964 -182.34391 446.56340
7045.0000 -186.89916 -182.53198 4.36717 1.87237 -182.64548 424.33004
7050.0000 -186.77285 -182.98062 3.79223 1.89637 -182.22635 449.47799
7055.0000 -186.93188 -183.34660 3.58528 1.85914 -182.87668 412.77366
7060.0000 -187.07718 -182.77476 4.30242 1.84239 -183.16919 400.40521
7065.0000 -186.74026 -183.19325 3.54700 1.84858 -183.06102 402.85867
7070.0000 -186.97267 -182.98396 3.98870 1.85665 -182.92014 413.18599
7075.0000 -186.87641 -183.32830 3.54811 1.84631 -183.10071 405.63868
7080.0000 -186.91599 -183.00442 3.91158 1.83703 -183.26285 396.09673
7085.0000 -187.15667 -182.33453 4.82214 1.85712 -182.91190 416.59569
7090.0000 -186.37735 -182.64181 3.73554 1.87959 -182.51942 435.05081
7095.0000 -186.57126 -182.65196 3.91930 1.87653 -182.57293 432.70911
7100.0000 -186.66039 -182.66211 3.99828 1.87627 -182.57745 425.03273
7105.0000 -187.32598 -182.75567 4.57031 1.87924 -182.52557 427.31719
7110.0000 -186.42763 -182.67536 3.75227 1.86165 -182.83282 417.58606
7115.0000 -186.33407 -182.51273 3.82134 1.89091 -182.32175 441.12875
7120.0000 -186.27272 -182.23747 4.03525 1.90034 -182.15701 442.80667
7125.0000 -186.90264 -182.64567 4.25696 1.89933 -182.17462 452.05193
7130.0000 -186.86792 -183.05732 3.81060 1.85241 -182.99425 412.04255
7135.0000 -187.15350 -183.13882 4.01469 1.86100 -182.84420 418.75548
7140.0000 -186.42532 -183.01412 3.41119 1.84039 -183.20408 400.18599
7145.0000 -187.18220 -183.34895 3.83325 1.84119 -183.19010 397.68003
7150.0000 -186.97322 -182.33371 4.63951 1.86464 -182.78051 424.94242
7155.0000 -186.52381 -182.34704 4.17677 1.86848 -182.71348 421.11070
7160.0000 -186.87788 -182.98727 3.89061 1.87365 -182.62321 426.62723
7165.0000 -186.33878 -182.15523 4.18355 1.86658 -182.74666 415.95857
7170.0000 -186.70130 -182.21753 4.48378 1.91298 -181.93618 456.67177
7175.0000 -186.97259 -182.47079 4.50180 1.90160 -182.13503 452.22936
7180.0000 -186.81782 -183.17609 3.64173 1.85587 -182.93379 408.37977
7185.0000 -187.61305 -183.55714 4.05590 1.83752 -183.25434 397.02168
7190.0000 -187.47772 -183.50367 3.97406 1.82423 -183.48643 390.58018
7195.0000 -186.16731 -182.73942 3.42789 1.84481 -183.12696 404.65632
7200.0000 -186.28212 -182.01029 4.27183 1.85536 -182.94271 415.86547
7205.0000 -186.50823 -183.19265 3.31558 1.84998 -183.03658 408.70626
7210.0000 -186.71649 -182.50398 4.21251 1.84927 -183.04903 401.77691
7215.0000 -186.48676 -182.53027 3.95650 1.87963 -182.51877 433.57729
7220.0000 -186.36913 -183.01628 3.35285 1.87398 -182.61750 430.32924
7225.0000 -187.04812 -183.82106 3.22706 1.85119 -183.01556 405.68290
7230.0000 -187.63641 -183.30204 4.33437 1.82106 -183.54173 381.51579
7235.0000 -186.81958 -181.76489 5.05470 1.87276 -182.63868 430.12550
7240.0000 -186.94643 -183.22473 3.72170 1.86904 -182.70367 428.18063
7245.0000 -186.70407 -182.51575 4.18832 1.85573 -182.93618 414.01375
7250.0000 -186.53550 -182.53336 4.00214 1.90204 -182.12728 447.60703
FREEZING PROCESS: loop number 30 T-loop= 397.00000000000000
main_MD> interactions number 30 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.27321 -0.77956 1.98559
force_rgl> df(natom) 0.56404 -0.21648 -0.40549
7255.0000 -187.40634 -183.31371 4.09263 1.85904 -182.87838 416.63382
7260.0000 -187.13433 -183.26251 3.87182 1.84894 -183.05481 407.44890
7265.0000 -187.14195 -183.19972 3.94224 1.84488 -183.12571 401.91372
7270.0000 -187.26831 -183.59573 3.67258 1.80245 -183.86679 368.61578
7275.0000 -187.66376 -184.08435 3.57941 1.82061 -183.54970 386.56125
7280.0000 -187.06690 -183.64225 3.42465 1.80092 -183.89351 369.40397
7285.0000 -187.55090 -183.49816 4.05274 1.81303 -183.68196 377.24363
7290.0000 -187.42965 -183.39226 4.03739 1.83735 -183.25718 398.38910
7295.0000 -187.19662 -183.37898 3.81764 1.84429 -183.13598 402.08345
7300.0000 -187.45725 -183.61550 3.84176 1.82064 -183.54907 379.71934
7305.0000 -187.46681 -184.28532 3.18149 1.78916 -184.09899 356.80340
7310.0000 -188.08636 -184.19269 3.89366 1.80023 -183.90565 365.73401
7315.0000 -186.96259 -183.08297 3.87962 1.79991 -183.91125 364.04682
7320.0000 -187.39912 -183.43745 3.96167 1.83788 -183.24801 395.86793
7325.0000 -186.36304 -181.93616 4.42689 1.87007 -182.68566 423.45712
7330.0000 -187.23622 -182.83586 4.40036 1.88964 -182.34396 442.01272
7335.0000 -186.09824 -182.40675 3.69149 1.85734 -182.90813 416.69622
7340.0000 -187.20488 -183.82055 3.38433 1.84724 -183.08444 408.55551
7345.0000 -186.91918 -182.98129 3.93789 1.83184 -183.35353 392.57539
7350.0000 -186.92117 -184.07393 2.84724 1.81899 -183.57800 379.30895
7355.0000 -187.27377 -183.75655 3.51721 1.78136 -184.23527 350.55467
7360.0000 -187.68943 -184.18131 3.50811 1.78813 -184.11691 357.56155
7365.0000 -186.68631 -183.19266 3.49366 1.84449 -183.13255 403.45732
7370.0000 -187.14394 -183.16288 3.98106 1.85171 -183.00635 409.37675
7375.0000 -187.66548 -184.24043 3.42505 1.81188 -183.70213 372.45119
7380.0000 -186.85579 -183.57091 3.28488 1.80996 -183.73559 375.03900
7385.0000 -187.12332 -183.39555 3.72777 1.82478 -183.47677 387.64315
7390.0000 -186.62192 -182.47927 4.14265 1.84961 -183.04303 406.21049
7395.0000 -187.10897 -182.81086 4.29811 1.89489 -182.25226 444.35799
7400.0000 -186.13864 -182.16675 3.97189 1.88585 -182.41002 438.39320
7405.0000 -186.99127 -182.68999 4.30127 1.85485 -182.95161 413.87030
7410.0000 -186.89958 -183.03140 3.86818 1.88286 -182.46239 431.25372
7415.0000 -186.63265 -183.03013 3.60251 1.88128 -182.48987 433.09207
7420.0000 -186.97244 -183.33330 3.63914 1.85116 -183.01593 408.67026
7425.0000 -187.84935 -183.85880 3.99055 1.81510 -183.64591 377.32902
7430.0000 -186.56179 -182.87814 3.68366 1.82210 -183.52352 386.76209
7435.0000 -187.02631 -183.48935 3.53696 1.86306 -182.80813 415.07446
7440.0000 -187.27818 -183.65221 3.62597 1.82715 -183.43538 388.98753
7445.0000 -187.16294 -183.89784 3.26510 1.79445 -184.00657 362.99049
7450.0000 -187.49337 -183.87162 3.62175 1.79305 -184.03094 357.25189
7455.0000 -186.89580 -183.55818 3.33762 1.80642 -183.79757 372.39036
7460.0000 -187.19259 -183.04126 4.15133 1.83543 -183.29083 397.05584
7465.0000 -186.91440 -182.96462 3.94979 1.86066 -182.85006 416.45218
7470.0000 -187.25144 -183.79740 3.45403 1.82380 -183.49393 385.99810
7475.0000 -186.83023 -183.25156 3.57867 1.79522 -183.99310 361.14898
7480.0000 -187.55910 -183.36537 4.19373 1.83012 -183.38348 387.69001
7485.0000 -186.74026 -183.26194 3.47832 1.82027 -183.55564 382.11069
7490.0000 -187.05464 -183.83649 3.21815 1.82831 -183.41506 392.39037
7495.0000 -186.58172 -182.94219 3.63953 1.80915 -183.74981 374.76090
7500.0000 -186.77605 -183.16069 3.61536 1.84861 -183.06064 401.65157
FREEZING PROCESS: loop number 31 T-loop= 372.00000000000000
main_MD> interactions number 31 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64868 3.40657 -1.18926
force_rgl> df(natom) 1.92519 -1.99733 -0.46766
7505.0000 -187.72497 -184.37596 3.34901 1.79841 -183.93737 365.11014
7510.0000 -186.79532 -183.19167 3.60365 1.80567 -183.81056 364.79868
7515.0000 -187.32289 -184.10803 3.21486 1.81114 -183.71511 375.72600
7520.0000 -187.07956 -183.40116 3.67840 1.81252 -183.69089 377.81599
7525.0000 -186.79511 -182.84943 3.94568 1.84474 -183.12812 405.15126
7530.0000 -187.78143 -184.19495 3.58649 1.82593 -183.45679 383.65360
7535.0000 -187.72304 -184.39607 3.32697 1.78034 -184.25298 346.84416
7540.0000 -187.49096 -184.45702 3.03395 1.78430 -184.18388 353.45272
7545.0000 -187.72092 -184.07689 3.64403 1.77965 -184.26510 351.87866
7550.0000 -186.85169 -183.71011 3.14158 1.79407 -184.01321 362.34875
7555.0000 -187.31017 -183.64244 3.66773 1.82161 -183.53224 388.50615
7560.0000 -186.77001 -183.27392 3.49609 1.82932 -183.39746 388.13990
7565.0000 -187.46658 -182.64794 4.81864 1.86292 -182.81067 418.05845
7570.0000 -187.29298 -183.56625 3.72674 1.86153 -182.83486 413.35175
7575.0000 -187.33143 -183.76566 3.56577 1.80743 -183.77980 371.67711
7580.0000 -187.00940 -183.43260 3.57680 1.81251 -183.69107 373.02152
7585.0000 -187.57002 -184.27221 3.29781 1.80156 -183.88243 362.32772
7590.0000 -187.21802 -183.61083 3.60719 1.81694 -183.61367 379.49185
7595.0000 -187.65844 -184.59407 3.06437 1.78856 -184.10940 355.09702
7600.0000 -187.84273 -184.33972 3.50301 1.79814 -183.94207 364.33648
7605.0000 -187.51123 -183.78088 3.73035 1.78882 -184.10494 360.03609
7610.0000 -187.37367 -184.21978 3.15389 1.78396 -184.18976 349.63492
7615.0000 -187.29230 -183.15281 4.13950 1.80716 -183.78451 372.15098
7620.0000 -186.25110 -182.71207 3.53903 1.84338 -183.15184 401.32079
7625.0000 -187.13910 -183.66604 3.47305 1.85809 -182.89505 414.94065
7630.0000 -187.02778 -183.25987 3.76791 1.82585 -183.45806 385.40706
7635.0000 -186.22516 -182.68482 3.54033 1.83897 -183.22895 394.41904
7640.0000 -186.56781 -183.14801 3.41980 1.86370 -182.79700 419.72109
7645.0000 -187.38982 -183.98818 3.40165 1.79980 -183.91316 359.43048
7650.0000 -187.40426 -183.77618 3.62808 1.78184 -184.22685 341.88258
7655.0000 -186.40027 -183.16206 3.23821 1.79920 -183.92353 362.02261
7660.0000 -186.95886 -183.53138 3.42749 1.82909 -183.40153 389.83746
7665.0000 -187.41050 -183.41561 3.99489 1.81006 -183.73387 375.03911
7670.0000 -187.42402 -183.60886 3.81515 1.83821 -183.24216 396.84049
7675.0000 -187.31117 -183.69214 3.61903 1.81842 -183.58782 380.76707
7680.0000 -187.06985 -183.70258 3.36727 1.81326 -183.67797 377.04058
7685.0000 -188.16746 -185.24158 2.92588 1.79220 -184.04580 354.80603
7690.0000 -187.22562 -183.92130 3.30432 1.76832 -184.46302 340.12785
7695.0000 -187.45371 -183.75062 3.70309 1.83884 -183.23115 397.32745
7700.0000 -187.10055 -183.88432 3.21624 1.80213 -183.87248 366.26586
7705.0000 -187.71719 -183.98143 3.73576 1.78701 -184.13648 354.52708
7710.0000 -186.91455 -183.78892 3.12563 1.78657 -184.14427 351.74580
7715.0000 -187.74603 -184.48538 3.26065 1.77123 -184.41220 341.75098
7720.0000 -187.09824 -183.99280 3.10544 1.75843 -184.63576 330.95979
7725.0000 -187.28258 -184.10741 3.17517 1.79126 -184.06226 358.11664
7730.0000 -187.39419 -183.79397 3.60022 1.81785 -183.59785 380.44694
7735.0000 -187.01570 -183.30717 3.70854 1.81115 -183.71488 377.52842
7740.0000 -187.53391 -184.56206 2.97184 1.80382 -183.84290 368.02568
7745.0000 -187.53882 -184.03560 3.50322 1.77687 -184.31362 347.62372
7750.0000 -187.52354 -184.59174 2.93180 1.77003 -184.43319 342.34186
FREEZING PROCESS: loop number 32 T-loop= 347.00000000000000
main_MD> interactions number 32 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.07068 0.86306 -1.36911
force_rgl> df(natom) -1.40803 0.99853 0.06447
7755.0000 -187.22141 -183.80234 3.41907 1.77738 -184.30478 351.26058
7760.0000 -187.21049 -183.39335 3.81714 1.81162 -183.70663 377.36639
7765.0000 -187.56991 -184.15594 3.41397 1.81024 -183.73084 375.03767
7770.0000 -187.07751 -184.21581 2.86170 1.79775 -183.94898 361.88538
7775.0000 -187.69055 -183.90326 3.78728 1.80138 -183.88555 368.11590
7780.0000 -187.62913 -184.30856 3.32057 1.79310 -184.03010 354.11023
7785.0000 -187.67831 -185.03333 2.64498 1.76677 -184.48998 337.06424
7790.0000 -187.43481 -184.24132 3.19350 1.76567 -184.50918 340.02955
7795.0000 -187.63084 -184.66270 2.96815 1.78487 -184.17382 351.90735
7800.0000 -187.13136 -183.78944 3.34193 1.78029 -184.25391 351.26856
7805.0000 -187.42184 -184.10446 3.31738 1.79938 -183.92039 364.45709
7810.0000 -187.66448 -184.17287 3.49162 1.78365 -184.19524 356.57479
7815.0000 -187.51986 -184.16859 3.35128 1.79881 -183.93047 372.18406
7820.0000 -187.24007 -184.09313 3.14694 1.79886 -183.92949 363.83921
7825.0000 -187.54661 -184.03563 3.51098 1.80899 -183.75262 373.25775
7830.0000 -187.88567 -184.30918 3.57649 1.77865 -184.28249 344.00726
7835.0000 -187.80048 -184.76939 3.03109 1.74652 -184.84369 320.97459
7840.0000 -187.94768 -185.07729 2.87039 1.73727 -185.00536 315.25375
7845.0000 -187.87230 -184.38187 3.49043 1.73469 -185.05036 311.55911
7850.0000 -187.66275 -184.86355 2.79920 1.73842 -184.98523 314.01927
7855.0000 -187.59008 -184.68263 2.90745 1.76128 -184.58598 333.94780
7860.0000 -187.41029 -184.38247 3.02782 1.78202 -184.22369 348.55586
7865.0000 -187.87119 -184.65663 3.21456 1.78762 -184.12583 354.15018
7870.0000 -187.57912 -184.21853 3.36059 1.76231 -184.56802 332.41400
7875.0000 -187.44047 -184.26501 3.17546 1.78115 -184.23890 352.79576
7880.0000 -187.82269 -184.57787 3.24482 1.78645 -184.14635 352.84016
7885.0000 -187.24786 -184.29997 2.94790 1.78163 -184.23045 350.02798
7890.0000 -187.14017 -183.72497 3.41520 1.78704 -184.13602 351.97987
7895.0000 -187.34596 -183.71460 3.63136 1.80103 -183.89156 363.20828
7900.0000 -187.57343 -184.65726 2.91617 1.78448 -184.18070 352.22324
7905.0000 -186.95184 -183.55822 3.39362 1.77882 -184.27950 349.39575
7910.0000 -187.28411 -184.21554 3.06857 1.79787 -183.94680 363.56146
7915.0000 -187.58734 -184.03449 3.55285 1.79831 -183.93922 363.07924
7920.0000 -187.80486 -184.26927 3.53559 1.78080 -184.24493 348.87516
7925.0000 -187.83031 -184.76265 3.06766 1.76027 -184.60357 330.71745
7930.0000 -187.31285 -184.37335 2.93950 1.78599 -184.15430 352.55456
7935.0000 -187.60190 -184.48820 3.11370 1.77106 -184.41504 339.97974
7940.0000 -187.33182 -183.66597 3.66585 1.77106 -184.41513 338.34814
7945.0000 -187.76820 -184.69675 3.07145 1.76815 -184.46589 338.39875
7950.0000 -188.07657 -185.00133 3.07524 1.74062 -184.94673 313.52020
7955.0000 -187.86276 -184.80604 3.05673 1.75217 -184.74515 325.79512
7960.0000 -187.37655 -184.59776 2.77879 1.75521 -184.69201 325.56510
7965.0000 -187.73078 -184.00541 3.72538 1.76060 -184.59788 336.11455
7970.0000 -187.50158 -184.32009 3.18149 1.80133 -183.88635 363.88593
7975.0000 -187.58376 -184.33792 3.24585 1.77713 -184.30903 344.12949
7980.0000 -187.62626 -184.30689 3.31936 1.78765 -184.12531 350.26784
7985.0000 -188.09505 -184.54803 3.54702 1.78634 -184.14814 354.85545
7990.0000 -187.84145 -184.47713 3.36432 1.78095 -184.24236 348.25400
7995.0000 -187.97615 -184.72727 3.24887 1.78397 -184.18956 350.76365
8000.0000 -187.36520 -184.12644 3.23876 1.77117 -184.41323 338.48701
FREEZING PROCESS: loop number 33 T-loop= 322.00000000000000
main_MD> interactions number 33 at Temperature= 322.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84362 0.02183 3.84624
force_rgl> df(natom) -0.84194 -0.35739 0.87956
8005.0000 -188.02247 -184.77120 3.25127 1.76184 -184.57608 330.90116
8010.0000 -187.44871 -184.31056 3.13815 1.75319 -184.72721 325.73980
8015.0000 -187.96666 -185.08196 2.88469 1.75868 -184.63133 332.36747
8020.0000 -187.80306 -185.38259 2.42047 1.72900 -185.14969 305.85614
8025.0000 -188.31703 -185.15109 3.16593 1.71931 -185.31911 294.93719
8030.0000 -188.02874 -185.28080 2.74794 1.72832 -185.16166 307.41791
8035.0000 -187.83094 -184.21795 3.61300 1.73584 -185.03035 310.88502
8040.0000 -188.02915 -185.19133 2.83782 1.75944 -184.61805 329.79415
8045.0000 -187.69604 -184.89539 2.80065 1.74008 -184.95619 313.34970
8050.0000 -187.86333 -184.57938 3.28395 1.77104 -184.41544 341.00811
8055.0000 -188.44849 -185.29976 3.14873 1.72730 -185.17942 303.57189
8060.0000 -188.07107 -185.06954 3.00153 1.71379 -185.41551 292.85225
8065.0000 -187.88316 -184.41214 3.47102 1.76980 -184.43709 345.76704
8070.0000 -188.54777 -185.54094 3.00683 1.71491 -185.39588 291.99822
8075.0000 -187.80696 -185.46491 2.34204 1.71105 -185.46338 289.58754
8080.0000 -187.92352 -184.78115 3.14237 1.72451 -185.22827 301.40414
8085.0000 -188.25808 -185.15815 3.09993 1.73314 -185.07739 306.91026
8090.0000 -187.95601 -184.92349 3.03252 1.73150 -185.10617 306.32969
8095.0000 -187.84652 -185.13900 2.70753 1.74998 -184.78330 321.39988
8100.0000 -187.54115 -184.32527 3.21587 1.77171 -184.40376 339.94741
8105.0000 -187.39782 -184.35259 3.04523 1.77484 -184.34916 342.49307
8110.0000 -188.06294 -185.25841 2.80453 1.74786 -184.82043 316.93641
8115.0000 -187.48033 -184.75405 2.72627 1.74805 -184.81696 321.20201
8120.0000 -187.88533 -184.78923 3.09610 1.75858 -184.63309 326.14243
8125.0000 -187.76263 -184.78325 2.97938 1.74729 -184.83033 326.86114
8130.0000 -188.15164 -185.39143 2.76021 1.72921 -185.14612 306.54295
8135.0000 -188.22183 -184.67833 3.54350 1.75908 -184.62437 332.22666
8140.0000 -188.45425 -185.34107 3.11318 1.73748 -185.00162 313.82690
8145.0000 -188.14626 -185.57821 2.56805 1.71478 -185.39812 292.51375
8150.0000 -187.99142 -184.98197 3.00945 1.72525 -185.21520 301.50712
8155.0000 -188.08772 -184.97908 3.10864 1.75297 -184.73104 324.04825
8160.0000 -188.05942 -185.25804 2.80138 1.73005 -185.13142 304.82009
8165.0000 -187.72447 -184.45056 3.27390 1.75635 -184.67197 331.12483
8170.0000 -187.32578 -184.87440 2.45138 1.74836 -184.81159 318.83123
8175.0000 -187.61747 -184.34488 3.27259 1.75482 -184.69874 328.39639
8180.0000 -187.57537 -184.52372 3.05165 1.77334 -184.37528 342.71070
8185.0000 -188.40453 -185.46314 2.94139 1.72998 -185.13274 302.94305
8190.0000 -187.46011 -184.89665 2.56345 1.72192 -185.27336 298.68317
8195.0000 -188.04887 -185.16067 2.88820 1.75941 -184.61865 329.85363
8200.0000 -187.99027 -184.65819 3.33208 1.73585 -185.03009 311.79977
8205.0000 -187.76624 -185.12216 2.64408 1.75024 -184.77881 325.07107
8210.0000 -187.69990 -184.98528 2.71462 1.71323 -185.42531 289.16329
8215.0000 -187.74105 -184.83684 2.90421 1.73642 -185.02021 311.75692
8220.0000 -187.19131 -183.92636 3.26495 1.75247 -184.73976 325.53867
8225.0000 -187.52858 -184.29501 3.23357 1.78465 -184.17779 351.53128
8230.0000 -187.39255 -184.59073 2.80182 1.77426 -184.35927 341.63442
8235.0000 -188.02924 -184.70953 3.31971 1.75596 -184.67887 328.19566
8240.0000 -187.60288 -184.39928 3.20360 1.75269 -184.73592 326.97703
8245.0000 -187.96468 -184.46051 3.50417 1.76394 -184.53947 336.79298
8250.0000 -187.82172 -184.77766 3.04406 1.75815 -184.64066 329.26781
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 12 [min], 40.3302821 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink