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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_78/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_78.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 = 78 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: 78 7800
main_MD> Size of nv and nvoiz: 78 7800
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 = 78
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> 8.8840750933601109E-002 -4.8715695147059167E-002 -0.13167601115126032 initial drift of cluster / NP1 for coalescence
init> 0.34711447469439344 0.35946826342273502 0.30839033194826526 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6155064494436903E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64548 2.77797 4.06092
force_rgl> df(natom) -3.12040 -2.10740 1.68498
preparo> THERMALIZATION PROCESS AT 1135.8660288720689
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -173.00408203169181 12.788723287040520 -185.79280531873232 6.5997336773723834E-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= 1109.0000000000000
main_MD> interactions number 1 at Temperature= 1109.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24694 -0.10680 0.06619
force_rgl> df(natom) 1.43489 1.01059 2.23078
5.0000 -184.30807 -172.62808 11.67999 3.17069 -172.21710 1172.97798
10.0000 -185.85605 -175.82849 10.02756 3.07115 -174.03433 1101.64973
15.0000 -187.63148 -178.40331 9.22818 2.90769 -177.01834 986.92073
20.0000 -186.81977 -175.34303 11.47674 2.92946 -176.62089 1015.96804
25.0000 -186.87809 -175.84799 11.03010 2.96009 -176.06168 1048.64325
30.0000 -186.56891 -175.06837 11.50054 3.02109 -174.94816 1112.26172
35.0000 -185.59189 -173.72570 11.86619 3.08220 -173.83262 1110.69427
40.0000 -184.33667 -171.53165 12.80502 3.11677 -173.20137 1149.40010
45.0000 -184.78457 -173.50152 11.28305 3.19956 -171.69014 1220.39401
50.0000 -185.49674 -173.71913 11.77761 3.02247 -174.92296 1076.61083
55.0000 -184.93703 -171.74171 13.19532 3.10467 -173.42235 1152.02245
60.0000 -185.06310 -173.79727 11.26583 3.11291 -173.27199 1145.89927
65.0000 -183.00089 -172.98499 10.01590 3.16277 -172.36163 1202.30550
70.0000 -185.86905 -173.57076 12.29829 3.14003 -172.77676 1201.07408
75.0000 -187.41681 -176.01770 11.39911 2.99841 -175.36227 1078.53346
80.0000 -186.34853 -174.10899 12.23954 2.95328 -176.18600 1040.73825
85.0000 -187.41775 -175.93435 11.48341 3.00877 -175.17301 1090.52627
90.0000 -185.27669 -173.19492 12.08176 3.05204 -174.38306 1133.92800
95.0000 -184.02159 -173.41808 10.60351 3.16824 -172.26190 1186.64298
100.0000 -187.44547 -176.64751 10.79796 3.05060 -174.40945 1086.92694
105.0000 -185.64106 -174.80362 10.83744 2.99513 -175.42202 1098.00686
110.0000 -185.89029 -174.15698 11.73331 3.07349 -173.99149 1126.39722
115.0000 -184.40828 -172.37608 12.03220 3.14792 -172.63275 1143.86309
120.0000 -184.94891 -173.46292 11.48599 3.06893 -174.07484 1132.94866
125.0000 -186.19735 -174.51819 11.67916 3.01831 -174.99891 1102.74096
130.0000 -185.25135 -173.89682 11.35453 2.98660 -175.57788 1076.01010
135.0000 -186.03316 -174.85511 11.17805 3.01530 -175.05386 1110.54937
140.0000 -184.53981 -173.29816 11.24165 3.00893 -175.17011 1077.00392
145.0000 -185.00043 -174.14580 10.85463 3.10502 -173.41595 1156.94657
150.0000 -185.22762 -172.86309 12.36453 3.13716 -172.82927 1151.03890
155.0000 -185.99912 -174.24463 11.75449 3.12146 -173.11580 1174.66593
160.0000 -185.52720 -175.08658 10.44063 3.00485 -175.24471 1034.15365
165.0000 -186.51190 -175.39213 11.11977 3.00911 -175.16693 1049.48450
170.0000 -184.80417 -173.58668 11.21749 3.03576 -174.68036 1131.19925
175.0000 -186.99891 -174.40440 12.59451 3.06659 -174.11747 1156.06843
180.0000 -185.43784 -173.64711 11.79074 3.10762 -173.36858 1133.84386
185.0000 -186.98377 -175.24026 11.74351 3.07933 -173.88488 1120.98530
190.0000 -186.07016 -173.52522 12.54493 3.01669 -175.02856 1081.57681
195.0000 -185.44168 -174.01510 11.42658 3.08695 -173.74579 1121.47065
200.0000 -184.83920 -173.08101 11.75819 3.15759 -172.45632 1157.21309
205.0000 -186.21349 -176.48276 9.73072 2.97555 -175.77945 1071.00949
210.0000 -185.76016 -175.59062 10.16954 2.91941 -176.80433 1025.49953
215.0000 -185.83582 -174.34516 11.49066 3.00484 -175.24486 1061.45935
220.0000 -185.25484 -173.20956 12.04528 3.09950 -173.51677 1128.82235
225.0000 -181.93824 -170.74972 11.18853 3.14195 -172.74187 1144.86795
230.0000 -184.86601 -171.59353 13.27248 3.20956 -171.50757 1206.59889
235.0000 -185.40736 -172.84271 12.56465 3.14020 -172.77367 1197.61305
240.0000 -185.09855 -174.05392 11.04462 3.12130 -173.11876 1171.16322
245.0000 -185.94464 -172.75200 13.19264 3.07300 -174.00058 1161.22844
250.0000 -183.37956 -171.45545 11.92412 3.15182 -172.56165 1154.26890
FREEZING PROCESS: loop number 2 T-loop= 1084.0000000000000
main_MD> interactions number 2 at Temperature= 1084.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65675 -2.14876 0.45120
force_rgl> df(natom) -3.74338 0.48224 -2.00548
255.0000 -184.30492 -172.65387 11.65106 3.25548 -170.66917 1217.80563
260.0000 -185.83378 -174.55196 11.28182 3.13432 -172.88112 1159.98439
265.0000 -183.82721 -172.64555 11.18166 3.11244 -173.28057 1108.17954
270.0000 -185.37631 -173.43238 11.94393 3.11033 -173.31907 1130.70812
275.0000 -184.47278 -173.65021 10.82257 3.13998 -172.77778 1151.74411
280.0000 -184.09867 -171.64038 12.45829 3.14834 -172.62516 1166.04048
285.0000 -185.47794 -174.65933 10.81860 3.12501 -173.05103 1155.47055
290.0000 -185.56761 -173.14037 12.42725 3.03238 -174.74203 1108.84086
295.0000 -185.51050 -174.11839 11.39210 3.00846 -175.17870 1075.23522
300.0000 -186.54841 -173.56133 12.98708 3.06097 -174.22006 1107.16624
305.0000 -185.86794 -174.20607 11.66187 3.06239 -174.19418 1114.94545
310.0000 -185.59853 -174.43617 11.16235 3.02391 -174.89661 1117.48600
315.0000 -187.65726 -176.91365 10.74361 2.95791 -176.10151 1073.94946
320.0000 -186.24315 -175.11447 11.12868 2.99433 -175.43670 1073.04869
325.0000 -185.74583 -174.83985 10.90598 2.97495 -175.79043 1042.20783
330.0000 -184.86208 -174.00604 10.85603 3.08726 -173.74011 1149.87062
335.0000 -188.50933 -178.18828 10.32105 2.98328 -175.63843 1083.96530
340.0000 -187.96230 -177.33151 10.63080 2.82718 -178.48802 967.80569
345.0000 -187.50939 -177.12512 10.38426 2.98517 -175.60382 1069.08619
350.0000 -186.15072 -174.92583 11.22490 2.97109 -175.86094 1056.34103
355.0000 -187.28415 -176.95000 10.33415 2.90224 -177.11787 998.02149
360.0000 -186.67426 -175.88303 10.79122 3.01291 -175.09743 1096.44282
365.0000 -184.51662 -174.17330 10.34332 2.97679 -175.75688 1071.96903
370.0000 -185.18673 -172.62982 12.55691 3.16399 -172.33949 1190.35669
375.0000 -185.59210 -174.91694 10.67516 3.10711 -173.37785 1122.44934
380.0000 -187.85464 -177.12991 10.72473 2.95286 -176.19366 1033.84454
385.0000 -185.77015 -173.04003 12.73012 2.96748 -175.92683 1049.35860
390.0000 -183.79030 -172.80497 10.98533 3.13819 -172.81042 1160.29476
395.0000 -186.52593 -174.24339 12.28254 3.07365 -173.98863 1108.98935
400.0000 -186.08723 -174.09672 11.99051 3.01648 -175.03230 1061.17823
405.0000 -187.59810 -176.07092 11.52718 2.92547 -176.69379 1039.62744
410.0000 -184.42848 -174.32274 10.10574 2.97723 -175.74893 1080.61800
415.0000 -185.87817 -174.74366 11.13451 3.07496 -173.96466 1151.06132
420.0000 -184.66107 -174.21253 10.44854 3.04463 -174.51836 1090.01648
425.0000 -185.15589 -175.16041 9.99548 3.00308 -175.27692 1050.89847
430.0000 -187.07987 -177.30312 9.77675 2.90958 -176.98377 1019.03484
435.0000 -186.15250 -176.18470 9.96780 2.91437 -176.89637 1011.62473
440.0000 -187.30757 -176.35845 10.94912 2.92874 -176.63408 1023.57604
445.0000 -188.28732 -177.25094 11.03637 2.93720 -176.47955 1045.00808
450.0000 -184.93376 -174.63218 10.30158 2.93206 -176.57351 1039.89437
455.0000 -185.18508 -173.29488 11.89020 3.02723 -174.83609 1099.64451
460.0000 -185.67606 -175.94282 9.73324 3.04793 -174.45809 1080.65879
465.0000 -187.98668 -177.29742 10.68926 2.92291 -176.74043 1015.37821
470.0000 -188.29109 -177.80147 10.48962 2.89118 -177.31982 1009.17615
475.0000 -186.57671 -175.80402 10.77270 2.94259 -176.38122 1030.56202
480.0000 -185.85386 -176.53955 9.31432 2.92882 -176.63252 1030.99890
485.0000 -185.55528 -171.83119 13.72409 3.05750 -174.28341 1123.15422
490.0000 -187.13383 -174.85474 12.27909 3.03619 -174.67252 1080.92251
495.0000 -185.58532 -174.20097 11.38435 3.03224 -174.74466 1066.92662
500.0000 -183.73659 -172.66940 11.06719 3.14780 -172.63504 1168.46339
FREEZING PROCESS: loop number 3 T-loop= 1059.0000000000000
main_MD> interactions number 3 at Temperature= 1059.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70766 -1.12644 3.09253
force_rgl> df(natom) 0.45263 -3.80906 -0.27600
505.0000 -186.24925 -172.95964 13.28962 3.08116 -173.85160 1123.70744
510.0000 -186.33982 -176.11617 10.22366 3.05060 -174.40937 1119.49672
515.0000 -188.64062 -178.97202 9.66860 2.86304 -177.83342 1011.61446
520.0000 -186.68968 -175.85738 10.83230 2.88308 -177.46759 968.44298
525.0000 -186.84677 -175.32910 11.51767 2.93747 -176.47471 1019.14963
530.0000 -185.69058 -173.24923 12.44136 3.08661 -173.75205 1125.92726
535.0000 -185.33091 -174.70663 10.62428 3.06977 -174.05940 1115.36995
540.0000 -184.39410 -174.11677 10.27734 3.07831 -173.90359 1128.21911
545.0000 -186.15348 -175.25988 10.89360 3.05388 -174.34951 1079.66250
550.0000 -185.38289 -173.56233 11.82056 3.00339 -175.27134 1071.90793
555.0000 -187.49996 -175.18445 12.31551 3.04672 -174.48029 1120.58552
560.0000 -187.09371 -177.39505 9.69866 2.96418 -175.98709 1071.68031
565.0000 -187.13759 -177.41714 9.72045 2.89465 -177.25636 1004.89252
570.0000 -189.17706 -178.09181 11.08524 2.82407 -178.54490 979.63511
575.0000 -188.48156 -175.80910 12.67246 2.89402 -177.26781 1009.21128
580.0000 -185.46667 -177.17065 8.29602 2.92794 -176.64858 1043.20349
585.0000 -185.53730 -176.59320 8.94410 2.93905 -176.44578 1029.26234
590.0000 -187.07675 -175.71888 11.35787 3.01291 -175.09752 1070.09650
595.0000 -185.94925 -172.81588 13.13337 3.06900 -174.07350 1114.62601
600.0000 -183.81078 -171.73590 12.07488 3.22491 -171.22725 1235.26711
605.0000 -184.61568 -172.95678 11.65890 3.18108 -172.02752 1166.61330
610.0000 -186.96863 -175.05182 11.91681 3.01468 -175.06517 1088.63437
615.0000 -186.57957 -175.58057 10.99900 3.00081 -175.31840 1072.66088
620.0000 -189.53612 -177.59520 11.94092 2.97516 -175.78671 1066.37019
625.0000 -188.33791 -175.91625 12.42166 2.89824 -177.19087 1013.36711
630.0000 -184.83697 -175.13506 9.70191 2.91452 -176.89363 1015.31398
635.0000 -184.50648 -175.22644 9.28004 2.98767 -175.55833 1051.15066
640.0000 -187.10360 -174.03566 13.06794 3.02773 -174.82700 1090.21917
645.0000 -186.54185 -175.47554 11.06631 3.02556 -174.86651 1101.40919
650.0000 -186.25149 -177.28707 8.96442 2.99076 -175.50180 1072.72689
655.0000 -188.05867 -176.29035 11.76832 2.93474 -176.52451 1051.64390
660.0000 -186.90796 -175.83185 11.07612 2.91802 -176.82980 1021.05490
665.0000 -185.87590 -176.81391 9.06199 2.91976 -176.79791 1036.78619
670.0000 -187.56128 -177.57225 9.98903 2.90949 -176.98555 1018.17536
675.0000 -186.31895 -176.81159 9.50735 2.87128 -177.68298 987.00522
680.0000 -188.33245 -177.72467 10.60778 2.85632 -177.95611 975.88748
685.0000 -186.32209 -176.76842 9.55368 2.91093 -176.95912 1007.10387
690.0000 -185.88197 -175.33483 10.54715 2.96410 -175.98855 1048.37055
695.0000 -187.44572 -177.01470 10.43102 2.95609 -176.13480 1062.29668
700.0000 -186.99348 -176.78761 10.20587 2.90968 -176.98206 985.44270
705.0000 -189.43821 -177.84339 11.59481 2.91375 -176.90767 1027.01147
710.0000 -186.12139 -176.96276 9.15863 2.93861 -176.45382 1047.14693
715.0000 -187.26140 -177.27094 9.99046 2.90582 -177.05254 997.98398
720.0000 -185.40926 -173.19951 12.20975 3.00916 -175.16601 1053.57677
725.0000 -185.69810 -172.87577 12.82234 3.11093 -173.30811 1186.96886
730.0000 -184.25245 -172.53245 11.72000 3.12082 -173.12749 1144.94102
735.0000 -186.35578 -175.16891 11.18687 3.15032 -172.58901 1160.31052
740.0000 -188.14946 -177.03691 11.11255 2.92118 -176.77216 1027.44799
745.0000 -187.64241 -175.65857 11.98384 2.91063 -176.96467 1005.71690
750.0000 -187.06744 -176.25789 10.80955 3.00245 -175.28844 1079.47616
FREEZING PROCESS: loop number 4 T-loop= 1034.0000000000000
main_MD> interactions number 4 at Temperature= 1034.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.21203 -1.13557 -2.14625
force_rgl> df(natom) 0.69478 -1.74171 1.35545
755.0000 -188.27481 -177.19151 11.08330 2.92037 -176.78686 1028.49997
760.0000 -187.53228 -179.01775 8.51453 2.82800 -178.47312 967.27372
765.0000 -187.33826 -177.77743 9.56083 2.87923 -177.53782 1012.90215
770.0000 -187.38866 -176.40040 10.98826 2.89946 -177.16854 1002.40084
775.0000 -187.71379 -177.47043 10.24336 2.90317 -177.10093 1014.23204
780.0000 -185.81102 -177.20773 8.60330 2.86275 -177.83870 995.78327
785.0000 -187.06989 -177.09440 9.97549 2.87050 -177.69734 985.97640
790.0000 -187.37635 -176.99968 10.37667 2.92494 -176.70352 1003.32574
795.0000 -185.89297 -175.96645 9.92652 2.93864 -176.45332 1042.03264
800.0000 -185.62785 -174.89521 10.73265 2.94056 -176.41836 1022.99864
805.0000 -188.58122 -177.86546 10.71576 2.92135 -176.76898 1012.45584
810.0000 -188.44540 -178.22880 10.21660 2.80429 -178.90590 944.26100
815.0000 -186.81393 -176.79695 10.01698 2.85159 -178.04251 993.65546
820.0000 -186.31011 -175.87110 10.43901 2.93993 -176.42974 1040.74336
825.0000 -186.32084 -176.16079 10.16005 2.93486 -176.52231 1054.49183
830.0000 -185.02737 -175.39676 9.63062 2.91853 -176.82038 1058.96808
835.0000 -186.55507 -176.71136 9.84371 2.98553 -175.59735 1046.22868
840.0000 -187.40903 -176.05910 11.34993 2.93953 -176.43716 1026.57230
845.0000 -187.00237 -178.50349 8.49888 2.89460 -177.25732 1001.19413
850.0000 -187.87365 -178.99780 8.87585 2.81194 -178.76631 946.73939
855.0000 -187.50643 -177.75346 9.75297 2.87542 -177.60737 1015.25306
860.0000 -186.10622 -174.39513 11.71109 2.95463 -176.16138 1042.62102
865.0000 -186.31568 -174.57342 11.74226 3.03425 -174.70784 1115.13245
870.0000 -186.77295 -174.09001 12.68293 3.07751 -173.91823 1115.56936
875.0000 -186.26991 -175.83434 10.43557 3.00914 -175.16623 1064.41242
880.0000 -187.07706 -175.88834 11.18871 2.91712 -176.84622 1036.92008
885.0000 -187.32395 -177.10723 10.21672 2.91876 -176.81620 1032.64440
890.0000 -186.84741 -177.53796 9.30945 2.86752 -177.75167 1021.85641
895.0000 -188.11796 -176.41814 11.69982 2.93692 -176.48481 1047.08067
900.0000 -187.81164 -176.85129 10.96035 2.97573 -175.77619 1049.88662
905.0000 -189.64999 -178.97914 10.67085 2.88562 -177.42130 981.86304
910.0000 -189.47793 -179.41579 10.06214 2.83071 -178.42367 953.71288
915.0000 -188.92230 -179.80253 9.11976 2.77379 -179.46271 909.86398
920.0000 -188.31363 -179.17750 9.13612 2.79034 -179.16055 942.27031
925.0000 -187.33959 -177.19447 10.14511 2.82053 -178.60957 941.60982
930.0000 -186.29614 -176.28607 10.01007 2.94140 -176.40301 1023.31594
935.0000 -189.97912 -179.33078 10.64834 2.81457 -178.71836 962.84796
940.0000 -188.73067 -178.60492 10.12575 2.77185 -179.49821 940.72609
945.0000 -188.92607 -179.03164 9.89443 2.79398 -179.09415 932.60588
950.0000 -188.10025 -178.62021 9.48004 2.84004 -178.25331 981.63919
955.0000 -186.78934 -176.70543 10.08392 2.94445 -176.34734 1076.90756
960.0000 -188.42232 -174.36964 14.05268 2.95266 -176.19740 1060.18278
965.0000 -186.77278 -176.55871 10.21406 3.03541 -174.68669 1113.26016
970.0000 -185.75461 -175.89237 9.86224 2.96107 -176.04385 1036.34829
975.0000 -185.47610 -174.64869 10.82740 3.03838 -174.63259 1085.32844
980.0000 -187.31780 -174.87165 12.44615 3.07356 -173.99035 1115.44018
985.0000 -185.42859 -175.00204 10.42656 3.05028 -174.41525 1075.40662
990.0000 -185.68340 -176.25355 9.42985 2.96056 -176.05318 1054.84719
995.0000 -188.06432 -176.21380 11.85052 2.97561 -175.77836 1042.74639
1000.0000 -187.32028 -175.84649 11.47379 2.94015 -176.42581 1043.60287
FREEZING PROCESS: loop number 5 T-loop= 1009.0000000000000
main_MD> interactions number 5 at Temperature= 1009.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70578 -1.66320 -0.74552
force_rgl> df(natom) -3.66174 0.07953 -3.26354
1005.0000 -188.10850 -178.29333 9.81517 2.95949 -176.07279 1041.89380
1010.0000 -188.18252 -179.80329 8.37923 2.83301 -178.38168 990.14302
1015.0000 -188.20741 -178.28819 9.91923 2.74428 -180.00153 919.65633
1020.0000 -184.59400 -172.81448 11.77952 2.99356 -175.45081 1094.85224
1025.0000 -185.57806 -175.09672 10.48134 3.06530 -174.14114 1113.26406
1030.0000 -188.60793 -177.33221 11.27572 2.98225 -175.65715 1033.11733
1035.0000 -186.00426 -175.76355 10.24071 2.92895 -176.63019 1039.33823
1040.0000 -187.15249 -177.25213 9.90036 2.91501 -176.88465 1030.45718
1045.0000 -190.20307 -179.69110 10.51197 2.83734 -178.30262 1008.31567
1050.0000 -190.65538 -180.59547 10.05991 2.68640 -181.05819 905.92027
1055.0000 -188.25967 -178.03716 10.22251 2.76802 -179.56812 963.60312
1060.0000 -187.26070 -178.21814 9.04256 2.84375 -178.18556 987.11900
1065.0000 -186.55487 -176.13922 10.41565 2.93450 -176.52885 1030.15009
1070.0000 -185.87030 -174.85960 11.01070 2.94196 -176.39278 1023.24440
1075.0000 -187.43781 -175.93308 11.50473 3.03360 -174.71982 1107.25685
1080.0000 -187.39679 -176.49425 10.90254 2.92493 -176.70365 1041.77658
1085.0000 -187.54258 -177.21946 10.32312 2.89916 -177.17406 1019.98833
1090.0000 -186.93140 -177.77896 9.15244 2.91925 -176.80734 993.42474
1095.0000 -186.69448 -176.78693 9.90755 2.89103 -177.32243 1004.30699
1100.0000 -187.91731 -177.42815 10.48916 2.92460 -176.70969 1031.28635
1105.0000 -184.27588 -173.36257 10.91330 2.98881 -175.53748 1075.49993
1110.0000 -187.53427 -178.32330 9.21096 2.99714 -175.38546 1059.60330
1115.0000 -189.03917 -178.53958 10.49959 2.84263 -178.20610 984.15035
1120.0000 -186.82711 -176.34223 10.48488 2.87150 -177.67901 997.55095
1125.0000 -185.75408 -174.48681 11.26727 2.94415 -176.35277 1033.82835
1130.0000 -186.94558 -177.01207 9.93351 2.96799 -175.91756 1053.53822
1135.0000 -187.45669 -177.89781 9.55888 2.93869 -176.45241 1061.85137
1140.0000 -187.31924 -177.55848 9.76075 2.92289 -176.74079 1045.96221
1145.0000 -187.97682 -177.41298 10.56384 2.91064 -176.96456 1046.23841
1150.0000 -186.84751 -176.44689 10.40062 2.87867 -177.54806 999.61073
1155.0000 -187.32262 -177.01293 10.30969 2.94288 -176.37587 1033.09525
1160.0000 -189.66823 -179.62392 10.04431 2.81342 -178.73931 972.89580
1165.0000 -187.55570 -177.23922 10.31648 2.81127 -178.77859 956.76363
1170.0000 -186.93254 -175.53911 11.39343 2.91295 -176.92240 997.93483
1175.0000 -188.19131 -177.79509 10.39622 2.94334 -176.36761 1009.79807
1180.0000 -186.53107 -176.03432 10.49674 2.86915 -177.72194 1027.35043
1185.0000 -186.10750 -176.30801 9.79948 2.94316 -176.37088 1029.13047
1190.0000 -187.30466 -178.31596 8.98870 2.89305 -177.28568 975.31238
1195.0000 -188.12084 -179.20122 8.91962 2.83467 -178.35135 967.92955
1200.0000 -189.53336 -178.95225 10.58110 2.80073 -178.97091 955.81385
1205.0000 -187.54729 -176.99307 10.55422 2.85012 -178.06926 1000.87946
1210.0000 -186.54035 -177.55994 8.98041 2.92365 -176.72701 1041.43637
1215.0000 -187.54702 -176.93359 10.61342 2.85084 -178.05616 989.37867
1220.0000 -186.28034 -174.74030 11.54004 2.97753 -175.74340 1072.66005
1225.0000 -186.72366 -176.10984 10.61383 3.00144 -175.30689 1074.14390
1230.0000 -189.19491 -179.04890 10.14601 2.92880 -176.63299 1027.74527
1235.0000 -185.45496 -175.10919 10.34577 2.87492 -177.61658 996.85896
1240.0000 -187.86574 -177.60847 10.25727 2.89351 -177.27716 1026.89046
1245.0000 -188.72772 -179.79847 8.92925 2.83494 -178.34638 947.34429
1250.0000 -189.58555 -180.25673 9.32882 2.74839 -179.92641 928.40279
FREEZING PROCESS: loop number 6 T-loop= 984.00000000000000
main_MD> interactions number 6 at Temperature= 984.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57136 -1.11366 -1.05910
force_rgl> df(natom) 2.60438 -0.43086 3.07523
1255.0000 -188.53452 -178.25503 10.27949 2.83124 -178.41402 962.07760
1260.0000 -186.99512 -176.89633 10.09879 2.84937 -178.08293 972.03907
1265.0000 -187.85292 -178.40013 9.45279 2.92797 -176.64814 1027.50725
1270.0000 -187.04841 -176.42178 10.62663 2.89643 -177.22390 968.37739
1275.0000 -187.26146 -177.49295 9.76851 2.86608 -177.77800 1016.12070
1280.0000 -188.29179 -178.93083 9.36096 2.88736 -177.38943 987.05707
1285.0000 -188.39869 -178.55643 9.84226 2.79312 -179.10986 926.74275
1290.0000 -189.39489 -178.72049 10.67439 2.83655 -178.31700 986.29809
1295.0000 -189.84227 -179.24395 10.59832 2.79388 -179.09602 965.65534
1300.0000 -188.28471 -178.87667 9.40804 2.83930 -178.26681 975.99476
1305.0000 -187.84606 -176.48587 11.36019 2.86512 -177.79541 999.36690
1310.0000 -189.61125 -178.78261 10.82863 2.88426 -177.44610 1008.16215
1315.0000 -188.01411 -178.97268 9.04143 2.82001 -178.61896 970.26488
1320.0000 -188.04358 -179.55813 8.48544 2.76543 -179.61540 913.48937
1325.0000 -186.84122 -175.53413 11.30709 2.82383 -178.54932 952.68706
1330.0000 -186.21272 -175.82483 10.38789 2.94388 -176.35772 1028.77073
1335.0000 -189.00925 -178.33541 10.67384 2.94164 -176.39853 1050.92097
1340.0000 -187.99961 -178.54299 9.45662 2.84144 -178.22780 961.17592
1345.0000 -187.63003 -177.27116 10.35887 2.86572 -177.78446 986.59531
1350.0000 -187.47703 -176.96169 10.51534 2.94723 -176.29652 1069.37914
1355.0000 -187.89590 -177.72258 10.17332 2.87485 -177.61794 979.82800
1360.0000 -186.85480 -178.36556 8.48924 2.84497 -178.16330 960.38773
1365.0000 -188.07695 -178.69938 9.37758 2.79199 -179.13060 921.54823
1370.0000 -187.52500 -176.83513 10.68987 2.91521 -176.88107 1037.10455
1375.0000 -187.94187 -177.35947 10.58240 2.92153 -176.76564 1022.74381
1380.0000 -187.85995 -178.32363 9.53633 2.92101 -176.77525 1025.69996
1385.0000 -188.05428 -178.10602 9.94825 2.88253 -177.47757 990.41003
1390.0000 -187.61267 -177.98486 9.62781 2.87950 -177.53305 1007.33578
1395.0000 -187.76039 -178.01833 9.74206 2.81500 -178.71039 920.37610
1400.0000 -187.00405 -174.77336 12.23070 2.90888 -176.99657 1005.11067
1405.0000 -188.10543 -178.66017 9.44526 2.92323 -176.73457 1025.23860
1410.0000 -187.62906 -178.49401 9.13505 2.82390 -178.54799 948.02986
1415.0000 -188.62842 -178.54462 10.08380 2.77436 -179.45243 946.58476
1420.0000 -188.66676 -177.56686 11.09990 2.87013 -177.70402 995.36938
1425.0000 -186.49657 -175.64764 10.84893 2.91443 -176.89522 1034.34158
1430.0000 -186.20350 -176.69328 9.51022 2.93922 -176.44267 1023.91927
1435.0000 -187.04219 -175.91979 11.12241 2.94545 -176.32899 1050.11954
1440.0000 -187.39635 -176.91914 10.47721 2.92533 -176.69637 1006.24902
1445.0000 -188.39077 -178.53877 9.85200 2.86118 -177.86733 1000.93707
1450.0000 -189.23795 -179.39141 9.84653 2.80507 -178.89178 983.52215
1455.0000 -187.33966 -178.03476 9.30490 2.80369 -178.91694 966.51510
1460.0000 -187.78593 -179.09223 8.69371 2.82487 -178.53033 966.12289
1465.0000 -189.39230 -178.19969 11.19261 2.85296 -178.01755 978.38984
1470.0000 -188.74210 -178.92508 9.81702 2.82253 -178.57291 974.23202
1475.0000 -187.09585 -177.89486 9.20099 2.79894 -179.00358 970.29542
1480.0000 -189.95347 -178.04210 11.91136 2.85740 -177.93632 981.32399
1485.0000 -188.63701 -178.22943 10.40758 2.84996 -178.07217 1022.71198
1490.0000 -187.18527 -177.87856 9.30671 2.81765 -178.66202 991.90384
1495.0000 -186.66732 -177.57079 9.09652 2.86626 -177.77465 969.89547
1500.0000 -187.43195 -176.54514 10.88681 2.92100 -176.77540 1036.42204
FREEZING PROCESS: loop number 7 T-loop= 959.00000000000000
main_MD> interactions number 7 at Temperature= 959.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.68164 0.06420 0.36221
force_rgl> df(natom) -0.22361 1.90723 -1.24621
1505.0000 -188.00209 -177.60121 10.40088 2.82889 -178.45692 963.51577
1510.0000 -188.21193 -179.51016 8.70177 2.80835 -178.83194 962.89740
1515.0000 -187.87492 -177.36116 10.51376 2.81846 -178.64721 995.23831
1520.0000 -187.41002 -176.84306 10.56696 2.91057 -176.96583 1026.60477
1525.0000 -187.24888 -178.90289 8.34599 2.83648 -178.31831 969.07452
1530.0000 -189.74275 -180.33993 9.40282 2.78489 -179.26014 931.26163
1535.0000 -185.90382 -175.82291 10.08091 2.88690 -177.39785 993.94246
1540.0000 -187.80645 -177.41135 10.39510 2.90941 -176.98691 1028.23865
1545.0000 -188.52563 -178.62592 9.89971 2.88934 -177.35326 988.52993
1550.0000 -187.89730 -178.06513 9.83217 2.83512 -178.34313 974.99660
1555.0000 -187.75129 -179.54002 8.21127 2.80645 -178.86660 977.21511
1560.0000 -187.56414 -179.05059 8.51355 2.76124 -179.69187 913.93014
1565.0000 -188.09095 -178.79596 9.29498 2.83138 -178.41147 965.84401
1570.0000 -190.13519 -180.69292 9.44227 2.72704 -180.31628 926.63662
1575.0000 -189.33543 -181.49083 7.84460 2.69147 -180.96562 874.76212
1580.0000 -189.77901 -180.61643 9.16257 2.70149 -180.78263 887.08578
1585.0000 -189.31421 -180.15175 9.16246 2.71512 -180.53382 914.24510
1590.0000 -185.94921 -176.88150 9.06771 2.84137 -178.22907 984.86159
1595.0000 -189.43057 -180.42725 9.00332 2.77120 -179.51012 934.39212
1600.0000 -188.78356 -178.29298 10.49058 2.74924 -179.91087 891.12483
1605.0000 -187.63739 -177.12591 10.51149 2.86130 -177.86518 958.51051
1610.0000 -189.83271 -180.73076 9.10196 2.82411 -178.54417 926.83584
1615.0000 -188.97517 -179.23971 9.73546 2.74682 -179.95520 912.40693
1620.0000 -186.72945 -175.78335 10.94610 2.88185 -177.49005 964.68024
1625.0000 -188.53063 -178.85343 9.67720 2.84829 -178.10264 954.41926
1630.0000 -187.73117 -178.19845 9.53272 2.86903 -177.72413 966.63252
1635.0000 -189.32547 -178.54363 10.78184 2.83313 -178.37941 954.82850
1640.0000 -190.64911 -182.09251 8.55659 2.75070 -179.88435 938.20823
1645.0000 -187.69434 -179.91384 7.78049 2.72996 -180.26292 903.97647
1650.0000 -189.64809 -180.24025 9.40784 2.75931 -179.72707 917.14383
1655.0000 -187.22410 -178.24805 8.97604 2.75359 -179.83158 882.12645
1660.0000 -187.39980 -177.76015 9.63966 2.89859 -177.18450 999.92041
1665.0000 -187.02806 -177.36189 9.66617 2.88229 -177.48205 1022.51172
1670.0000 -188.13977 -177.56560 10.57417 2.93415 -176.53525 1031.32483
1675.0000 -187.05433 -176.85865 10.19568 2.88094 -177.50661 978.91798
1680.0000 -185.60049 -174.97098 10.62951 2.93645 -176.49326 1007.53881
1685.0000 -186.91858 -176.64788 10.27070 2.96866 -175.90531 1052.98260
1690.0000 -185.62558 -174.60786 11.01772 3.00068 -175.32079 1047.80500
1695.0000 -187.65999 -177.95845 9.70154 2.94958 -176.25363 1067.17228
1700.0000 -189.88067 -178.46287 11.41781 2.86143 -177.86290 987.26680
1705.0000 -189.21408 -178.51411 10.69997 2.83152 -178.40888 990.10997
1710.0000 -189.60065 -179.23797 10.36269 2.80991 -178.80332 944.04333
1715.0000 -188.84072 -178.82371 10.01701 2.78848 -179.19455 946.41893
1720.0000 -188.78387 -179.67992 9.10394 2.76847 -179.55982 949.44513
1725.0000 -188.68358 -179.20083 9.48274 2.85181 -178.03851 978.89398
1730.0000 -187.28292 -177.57968 9.70324 2.84696 -178.12709 986.94200
1735.0000 -186.67804 -176.62441 10.05364 2.94837 -176.27575 1038.62888
1740.0000 -187.37484 -177.59641 9.77843 2.88263 -177.47573 990.10499
1745.0000 -185.50809 -174.81232 10.69577 2.94785 -176.28513 1031.49081
1750.0000 -186.55132 -175.51931 11.03201 3.05366 -174.35360 1111.21358
FREEZING PROCESS: loop number 8 T-loop= 934.00000000000000
main_MD> interactions number 8 at Temperature= 934.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.06049 1.23198 -3.92327
force_rgl> df(natom) -3.71379 0.70784 -0.20665
1755.0000 -187.32936 -176.90738 10.42197 2.91116 -176.95499 988.81517
1760.0000 -188.25773 -178.77763 9.48010 2.84748 -178.11758 997.11579
1765.0000 -187.53200 -178.73314 8.79886 2.84794 -178.10918 948.61524
1770.0000 -188.27468 -178.52603 9.74866 2.89649 -177.22272 984.52979
1775.0000 -187.19110 -179.86819 7.32290 2.81470 -178.71587 961.97169
1780.0000 -189.44815 -180.16059 9.28756 2.73140 -180.23653 911.88097
1785.0000 -189.64661 -180.36496 9.28165 2.73275 -180.21206 894.44321
1790.0000 -188.16950 -178.11981 10.04969 2.73615 -180.14996 907.04138
1795.0000 -188.52319 -180.20969 8.31349 2.77510 -179.43878 928.40101
1800.0000 -189.18103 -179.36417 9.81686 2.76106 -179.69520 933.05523
1805.0000 -187.13332 -177.96063 9.17269 2.81019 -178.79832 934.08288
1810.0000 -187.95969 -179.34642 8.61327 2.79616 -179.05430 954.73212
1815.0000 -188.73555 -179.34909 9.38647 2.77069 -179.51937 906.63414
1820.0000 -188.83823 -180.56317 8.27506 2.73258 -180.21510 932.03012
1825.0000 -190.51787 -182.10484 8.41303 2.69107 -180.97283 864.43694
1830.0000 -190.56575 -180.53493 10.03082 2.68227 -181.13350 880.13803
1835.0000 -188.59931 -179.19672 9.40258 2.75980 -179.71808 943.71394
1840.0000 -188.01376 -178.20283 9.81093 2.81572 -178.69731 947.50678
1845.0000 -188.32302 -178.20380 10.11923 2.87956 -177.53186 994.18007
1850.0000 -188.54732 -179.11313 9.43418 2.80893 -178.82123 971.91619
1855.0000 -187.21960 -178.87997 8.33964 2.73337 -180.20065 903.70490
1860.0000 -188.37394 -178.92415 9.44978 2.80870 -178.82555 937.38188
1865.0000 -187.77766 -178.71063 9.06703 2.83190 -178.40196 976.88269
1870.0000 -188.86250 -178.74196 10.12054 2.88976 -177.34557 1013.92301
1875.0000 -189.12662 -181.05960 8.06702 2.75464 -179.81236 896.02271
1880.0000 -186.69381 -176.95415 9.73965 2.78878 -179.18911 912.31649
1885.0000 -189.59517 -179.79791 9.79726 2.79674 -179.04374 943.86080
1890.0000 -188.18097 -177.38837 10.79259 2.83404 -178.36295 968.46322
1895.0000 -188.58880 -179.47967 9.10913 2.85697 -177.94434 979.37530
1900.0000 -188.42739 -180.02680 8.40058 2.74038 -180.07269 891.93651
1905.0000 -188.94062 -178.90574 10.03488 2.79573 -179.06218 940.19985
1910.0000 -189.66979 -179.60200 10.06779 2.81482 -178.71373 947.35847
1915.0000 -189.87779 -180.39139 9.48640 2.74835 -179.92720 915.94623
1920.0000 -185.20355 -176.25731 8.94624 2.86417 -177.81279 956.92696
1925.0000 -187.98488 -178.27119 9.71369 2.92015 -176.79084 982.84790
1930.0000 -188.09538 -177.55141 10.54398 2.84936 -178.08324 942.45816
1935.0000 -188.84202 -178.46122 10.38080 2.82296 -178.56514 934.16291
1940.0000 -188.06703 -177.88657 10.18046 2.78016 -179.34644 929.68993
1945.0000 -188.41643 -178.53305 9.88338 2.86087 -177.87303 990.79770
1950.0000 -189.77495 -179.36656 10.40838 2.78900 -179.18518 946.35136
1955.0000 -188.63960 -179.45613 9.18347 2.79696 -179.03978 940.55069
1960.0000 -186.35493 -177.75559 8.59935 2.83667 -178.31478 979.56915
1965.0000 -186.53791 -176.81028 9.72763 2.91611 -176.86465 996.31779
1970.0000 -188.90003 -179.03383 9.86620 2.87323 -177.64748 1001.23663
1975.0000 -187.70605 -178.05513 9.65093 2.81040 -178.79449 945.09344
1980.0000 -187.84364 -179.18791 8.65573 2.80525 -178.88844 940.35202
1985.0000 -189.16878 -180.85030 8.31847 2.71339 -180.56532 879.00718
1990.0000 -188.33899 -179.36637 8.97262 2.76943 -179.54236 930.75181
1995.0000 -187.71627 -180.50537 7.21090 2.72983 -180.26531 905.00415
2000.0000 -189.30717 -180.10389 9.20328 2.69078 -180.97825 855.10293
FREEZING PROCESS: loop number 9 T-loop= 909.00000000000000
main_MD> interactions number 9 at Temperature= 909.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.82668 2.95108 -0.27187
force_rgl> df(natom) 0.49437 0.48797 5.28944
2005.0000 -189.93215 -179.89930 10.03286 2.74602 -179.96973 911.44107
2010.0000 -190.07733 -180.79517 9.28216 2.72898 -180.28079 930.10944
2015.0000 -190.32044 -182.09471 8.22572 2.66457 -181.45658 875.95183
2020.0000 -189.90516 -180.28493 9.62023 2.66079 -181.52571 872.89914
2025.0000 -188.19178 -179.42464 8.76714 2.75079 -179.88266 932.94001
2030.0000 -188.04517 -180.04199 8.00318 2.75170 -179.86601 900.91251
2035.0000 -188.73874 -180.60941 8.12933 2.69381 -180.92276 881.97331
2040.0000 -190.69414 -182.23298 8.46116 2.70025 -180.80532 878.67901
2045.0000 -190.21284 -182.61741 7.59543 2.61618 -182.34007 821.25928
2050.0000 -189.47012 -179.41818 10.05194 2.74657 -179.95969 916.59192
2055.0000 -190.37221 -181.64663 8.72558 2.72487 -180.35592 917.68973
2060.0000 -188.29567 -179.91637 8.37929 2.68196 -181.13918 892.11128
2065.0000 -190.72423 -182.95818 7.76605 2.66138 -181.51486 862.92050
2070.0000 -189.46246 -181.20109 8.26137 2.60220 -182.59529 798.00995
2075.0000 -190.65850 -182.32211 8.33639 2.59761 -182.67911 825.39448
2080.0000 -189.33740 -181.43498 7.90242 2.59543 -182.71875 824.98179
2085.0000 -190.29757 -180.31263 9.98494 2.70693 -180.68334 915.66579
2090.0000 -189.12533 -179.92376 9.20156 2.77424 -179.45454 902.24390
2095.0000 -186.62228 -178.05568 8.56660 2.79519 -179.07202 938.98645
2100.0000 -188.11078 -179.15218 8.95860 2.81168 -178.77098 959.26196
2105.0000 -188.65752 -178.18364 10.47388 2.80541 -178.88549 943.92701
2110.0000 -188.07856 -178.14042 9.93814 2.85872 -177.91237 992.65481
2115.0000 -190.14207 -181.08330 9.05877 2.75497 -179.80632 909.49548
2120.0000 -189.33370 -182.12001 7.21369 2.59558 -182.71618 810.35495
2125.0000 -189.61999 -181.13171 8.48828 2.60559 -182.53341 832.64751
2130.0000 -188.20535 -179.78878 8.41657 2.71089 -180.61112 868.02720
2135.0000 -188.86578 -178.86302 10.00276 2.79756 -179.02875 936.65792
2140.0000 -189.31068 -179.26481 10.04587 2.77371 -179.46419 909.35280
2145.0000 -189.42918 -180.44803 8.98115 2.77052 -179.52247 924.57022
2150.0000 -188.64809 -179.03821 9.60988 2.76847 -179.55980 904.82333
2155.0000 -189.27117 -179.44715 9.82402 2.87591 -177.59845 967.26960
2160.0000 -188.64018 -179.81385 8.82633 2.77989 -179.35138 950.72677
2165.0000 -188.43029 -178.52880 9.90150 2.79129 -179.14337 919.75427
2170.0000 -190.06061 -179.26422 10.79639 2.81343 -178.73906 931.07703
2175.0000 -187.27501 -178.38955 8.88546 2.81605 -178.69129 946.16301
2180.0000 -187.81825 -179.28135 8.53690 2.77063 -179.52042 904.11265
2185.0000 -188.84941 -179.57423 9.27518 2.78363 -179.28321 950.34398
2190.0000 -188.47018 -179.02737 9.44281 2.76643 -179.59716 936.42553
2195.0000 -189.74508 -179.29006 10.45502 2.78577 -179.24400 947.87693
2200.0000 -189.01438 -179.10087 9.91351 2.77677 -179.40839 921.72484
2205.0000 -190.39874 -180.71833 9.68041 2.75014 -179.89445 874.20167
2210.0000 -187.77911 -179.54058 8.23853 2.75075 -179.88330 918.45655
2215.0000 -187.41671 -178.59356 8.82315 2.79723 -179.03491 915.68796
2220.0000 -187.84328 -178.81621 9.02706 2.84041 -178.24662 986.84395
2225.0000 -188.78814 -179.63706 9.15108 2.74213 -180.04069 896.82707
2230.0000 -190.48683 -180.41459 10.07224 2.72202 -180.40784 925.09995
2235.0000 -189.99752 -179.96601 10.03151 2.74508 -179.98680 943.50640
2240.0000 -190.63142 -181.58052 9.05090 2.73008 -180.26073 876.38888
2245.0000 -190.35859 -181.79536 8.56323 2.64025 -181.90067 836.89232
2250.0000 -191.27966 -180.98688 10.29278 2.66349 -181.47638 865.82622
FREEZING PROCESS: loop number 10 T-loop= 884.00000000000000
main_MD> interactions number 10 at Temperature= 884.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.51874 -1.50016 0.83324
force_rgl> df(natom) 0.45336 -0.21985 2.22208
2255.0000 -190.04895 -181.23064 8.81831 2.70422 -180.73284 907.40530
2260.0000 -190.23072 -180.58441 9.64631 2.72095 -180.42746 923.37666
2265.0000 -189.98794 -182.34045 7.64749 2.68742 -181.03946 899.56837
2270.0000 -190.29702 -182.17081 8.12620 2.62380 -182.20085 836.77918
2275.0000 -191.03254 -182.49710 8.53544 2.64249 -181.85976 869.93690
2280.0000 -189.95609 -181.35977 8.59632 2.62816 -182.12135 847.83863
2285.0000 -191.39962 -181.76923 9.63039 2.64466 -181.82009 850.60206
2290.0000 -189.17708 -179.32849 9.84859 2.62949 -182.09705 826.22950
2295.0000 -189.63948 -181.08074 8.55874 2.80625 -178.87021 954.58791
2300.0000 -189.09982 -179.35164 9.74817 2.67570 -181.25341 830.64804
2305.0000 -188.57877 -180.07022 8.50854 2.76150 -179.68705 903.70366
2310.0000 -191.16264 -180.96817 10.19446 2.71114 -180.60644 910.46773
2315.0000 -188.07261 -180.54936 7.52325 2.68105 -181.15576 851.98164
2320.0000 -190.23275 -180.94796 9.28479 2.71074 -180.61376 892.52852
2325.0000 -188.58888 -180.81721 7.77167 2.69252 -180.94631 843.72155
2330.0000 -190.18961 -182.27479 7.91482 2.66758 -181.40175 861.76085
2335.0000 -190.68027 -182.03279 8.64749 2.61024 -182.44844 843.08197
2340.0000 -190.16293 -181.96196 8.20097 2.66407 -181.46577 839.48053
2345.0000 -191.58819 -183.31324 8.27496 2.58661 -182.87992 815.62060
2350.0000 -190.54231 -180.67954 9.86277 2.65091 -181.70599 863.71656
2355.0000 -188.45658 -178.91576 9.54082 2.74479 -179.99226 897.26997
2360.0000 -190.43873 -180.44985 9.98889 2.75035 -179.89065 944.37919
2365.0000 -189.72839 -180.18669 9.54170 2.75388 -179.82617 926.36678
2370.0000 -189.28663 -180.60448 8.68215 2.69878 -180.83203 876.56373
2375.0000 -188.71706 -179.48464 9.23242 2.70154 -180.78178 885.71438
2380.0000 -190.94330 -180.81970 10.12360 2.75739 -179.76207 931.27193
2385.0000 -189.96400 -181.41989 8.54411 2.67020 -181.35386 876.12087
2390.0000 -188.49980 -181.11361 7.38618 2.69296 -180.93845 919.60731
2395.0000 -189.63386 -181.34552 8.28834 2.67631 -181.24225 844.65483
2400.0000 -188.73144 -181.02446 7.70698 2.70035 -180.80349 908.36472
2405.0000 -191.53126 -183.14438 8.38688 2.62460 -182.18640 849.27452
2410.0000 -191.78063 -183.39025 8.39038 2.56056 -183.35544 782.69812
2415.0000 -190.65427 -182.04289 8.61138 2.61393 -182.38104 820.01260
2420.0000 -189.56503 -181.01199 8.55304 2.67527 -181.26131 839.37557
2425.0000 -188.80728 -181.30300 7.50428 2.68473 -181.08859 872.59440
2430.0000 -188.52619 -179.89912 8.62708 2.70616 -180.69743 886.07030
2435.0000 -189.49255 -180.97003 8.52252 2.73472 -180.17608 880.55632
2440.0000 -188.75576 -179.80005 8.95571 2.73639 -180.14552 911.55272
2445.0000 -189.09947 -180.16549 8.93399 2.70288 -180.75732 882.18025
2450.0000 -188.10882 -179.00309 9.10573 2.77999 -179.34953 911.01746
2455.0000 -187.92867 -178.74987 9.17880 2.79972 -178.98934 940.96570
2460.0000 -187.41075 -177.36381 10.04694 2.89267 -177.29249 1022.95150
2465.0000 -189.74274 -181.42172 8.32103 2.80038 -178.97738 958.00729
2470.0000 -189.63274 -180.28739 9.34535 2.68836 -181.02229 894.15496
2475.0000 -188.92091 -179.83559 9.08531 2.72905 -180.27944 920.32129
2480.0000 -188.34850 -178.66216 9.68635 2.81969 -178.62477 961.88624
2485.0000 -187.66296 -178.58435 9.07860 2.85465 -177.98664 974.54733
2490.0000 -189.26427 -180.79330 8.47098 2.78566 -179.24604 926.15415
2495.0000 -187.89631 -179.00798 8.88832 2.74985 -179.89980 931.36086
2500.0000 -189.49022 -180.73252 8.75771 2.74739 -179.94470 901.69217
FREEZING PROCESS: loop number 11 T-loop= 859.00000000000000
main_MD> interactions number 11 at Temperature= 859.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23757 1.70586 -2.08874
force_rgl> df(natom) 0.63177 0.72796 -2.81039
2505.0000 -190.95344 -181.65605 9.29739 2.66034 -181.53395 874.17121
2510.0000 -188.75481 -178.90383 9.85099 2.72500 -180.35338 890.81845
2515.0000 -186.27827 -176.13522 10.14304 2.85745 -177.93546 959.28944
2520.0000 -186.89182 -178.92139 7.97044 2.86748 -177.75232 982.18386
2525.0000 -190.45642 -180.92639 9.53004 2.75457 -179.81355 912.02195
2530.0000 -190.90084 -180.66587 10.23497 2.71743 -180.49161 922.43075
2535.0000 -190.12741 -182.15926 7.96815 2.68699 -181.04731 871.20330
2540.0000 -190.44903 -181.56427 8.88477 2.65711 -181.59285 829.23810
2545.0000 -191.46889 -182.55806 8.91083 2.62370 -182.20284 814.82125
2550.0000 -189.44607 -182.10701 7.33905 2.67679 -181.23365 868.90711
2555.0000 -189.57059 -180.26717 9.30342 2.67419 -181.28104 858.65649
2560.0000 -189.59963 -180.08152 9.51811 2.70067 -180.79755 879.46503
2565.0000 -191.93543 -182.58455 9.35088 2.65524 -181.62698 865.88596
2570.0000 -190.42602 -182.64245 7.78357 2.62881 -182.10950 851.64314
2575.0000 -191.17224 -181.81652 9.35571 2.62995 -182.08866 847.32742
2580.0000 -188.77489 -180.54705 8.22785 2.66422 -181.46309 870.65109
2585.0000 -190.33857 -182.14744 8.19112 2.66704 -181.41157 849.24411
2590.0000 -191.05446 -183.21803 7.83643 2.62544 -182.17107 837.68792
2595.0000 -191.15432 -183.13698 8.01734 2.56410 -183.29074 790.52788
2600.0000 -190.39415 -183.46854 6.92561 2.55914 -183.38128 798.32998
2605.0000 -191.90020 -183.80539 8.09481 2.57388 -183.11229 803.90051
2610.0000 -191.08453 -183.05108 8.03344 2.56559 -183.26361 785.25972
2615.0000 -191.10641 -182.78840 8.31801 2.62146 -182.24358 832.67526
2620.0000 -190.87471 -181.63840 9.23631 2.60401 -182.56212 813.62303
2625.0000 -187.77866 -179.12217 8.65649 2.76205 -179.67712 914.15090
2630.0000 -188.78979 -179.59331 9.19648 2.80076 -178.97040 933.16810
2635.0000 -190.33613 -181.97534 8.36079 2.72087 -180.42880 857.29529
2640.0000 -191.10294 -183.76668 7.33626 2.55378 -183.47918 806.39191
2645.0000 -190.28068 -183.33917 6.94152 2.59657 -182.69801 808.18748
2650.0000 -190.35310 -181.96606 8.38704 2.59820 -182.66834 832.17004
2655.0000 -189.37178 -181.28114 8.09064 2.67364 -181.29110 861.45471
2660.0000 -189.84730 -181.47807 8.36923 2.70087 -180.79394 883.96954
2665.0000 -188.78139 -179.65178 9.12960 2.68593 -181.06663 875.96204
2670.0000 -189.99834 -181.09024 8.90810 2.75230 -179.85509 911.09573
2675.0000 -191.47443 -181.85631 9.61812 2.67664 -181.23637 868.57811
2680.0000 -189.94868 -182.04521 7.90347 2.63129 -182.06420 841.97420
2685.0000 -190.57970 -182.48319 8.09651 2.59528 -182.72157 805.98584
2690.0000 -189.68777 -180.94590 8.74187 2.59770 -182.67736 797.63508
2695.0000 -191.49312 -182.23099 9.26214 2.67404 -181.28371 848.07046
2700.0000 -191.31023 -182.80359 8.50664 2.62407 -182.19595 831.96158
2705.0000 -190.93719 -180.89606 10.04113 2.62443 -182.18943 827.42359
2710.0000 -190.87862 -181.51108 9.36754 2.65633 -181.60714 874.07554
2715.0000 -190.21931 -180.91336 9.30596 2.70891 -180.64726 905.81258
2720.0000 -189.10313 -179.88974 9.21339 2.70617 -180.69725 900.41350
2725.0000 -191.03795 -182.22145 8.81651 2.63763 -181.94837 882.96834
2730.0000 -190.68399 -181.23746 9.44653 2.67302 -181.30247 853.91946
2735.0000 -190.74266 -181.68625 9.05641 2.65833 -181.57056 865.39558
2740.0000 -189.10521 -179.92365 9.18156 2.67556 -181.25610 893.77816
2745.0000 -191.18626 -182.44875 8.73751 2.67363 -181.29132 874.38989
2750.0000 -190.81424 -182.06068 8.75356 2.60012 -182.63314 821.44569
FREEZING PROCESS: loop number 12 T-loop= 834.00000000000000
main_MD> interactions number 12 at Temperature= 834.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.19618 -0.85733 -3.24424
force_rgl> df(natom) -0.94140 2.56048 2.69796
2755.0000 -190.27880 -180.41844 9.86035 2.68003 -181.17447 873.54366
2760.0000 -190.32378 -181.32733 8.99645 2.66161 -181.51073 877.10229
2765.0000 -189.96016 -182.28590 7.67426 2.66968 -181.36343 873.07551
2770.0000 -188.68561 -181.32558 7.36003 2.61413 -182.37750 815.60511
2775.0000 -191.82551 -183.06819 8.75732 2.61893 -182.28979 836.53489
2780.0000 -190.46200 -182.87634 7.58566 2.61995 -182.27124 861.27287
2785.0000 -191.26336 -184.10565 7.15771 2.58305 -182.94479 817.89573
2790.0000 -192.88984 -185.51849 7.37135 2.48942 -184.65418 714.34190
2795.0000 -190.91496 -183.41420 7.50076 2.48939 -184.65471 748.19612
2800.0000 -191.83976 -182.40708 9.43268 2.59134 -182.79356 779.64671
2805.0000 -192.12049 -183.89803 8.22247 2.54635 -183.61482 781.10945
2810.0000 -190.06197 -182.17087 7.89110 2.60610 -182.52410 826.81530
2815.0000 -189.79295 -181.33163 8.46132 2.60452 -182.55284 812.39526
2820.0000 -191.44338 -183.54127 7.90211 2.60262 -182.58750 816.12137
2825.0000 -191.13736 -182.31397 8.82339 2.59664 -182.69683 806.35582
2830.0000 -191.38827 -184.00026 7.38800 2.56559 -183.26353 815.14124
2835.0000 -190.13302 -180.69686 9.43616 2.60717 -182.50446 818.49825
2840.0000 -187.96076 -180.09503 7.86573 2.68117 -181.15359 868.79213
2845.0000 -190.82429 -181.78365 9.04063 2.74545 -179.98005 933.05658
2850.0000 -190.41654 -183.41230 7.00424 2.62338 -182.20863 850.77347
2855.0000 -192.09519 -183.90259 8.19260 2.54777 -183.58898 774.59149
2860.0000 -189.60240 -182.53563 7.06677 2.53822 -183.76328 767.76795
2865.0000 -190.56405 -182.04956 8.51448 2.63824 -181.93737 832.35810
2870.0000 -191.74753 -183.73097 8.01656 2.60993 -182.45407 826.20573
2875.0000 -190.34737 -182.13345 8.21392 2.57384 -183.11293 795.21238
2880.0000 -189.16295 -180.94914 8.21381 2.65823 -181.57234 865.27511
2885.0000 -190.25045 -181.97685 8.27360 2.68271 -181.12557 881.38655
2890.0000 -190.05777 -181.67223 8.38554 2.68415 -181.09921 853.94209
2895.0000 -188.76181 -180.27546 8.48634 2.68518 -181.08033 871.42713
2900.0000 -190.97419 -182.79063 8.18356 2.67608 -181.24646 877.96679
2905.0000 -189.82724 -181.49532 8.33193 2.64758 -181.76673 842.98948
2910.0000 -190.14440 -181.35608 8.78833 2.65578 -181.61703 844.33630
2915.0000 -190.66494 -181.35676 9.30818 2.65734 -181.58860 865.15587
2920.0000 -192.12303 -183.40773 8.71530 2.61933 -182.28254 816.85339
2925.0000 -188.86566 -182.12427 6.74138 2.59167 -182.78745 791.41670
2930.0000 -191.18338 -181.24967 9.93371 2.69140 -180.96692 856.93726
2935.0000 -190.62597 -181.40365 9.22233 2.69077 -180.97834 897.00591
2940.0000 -190.72564 -181.95644 8.76919 2.62493 -182.18030 802.61337
2945.0000 -190.21394 -181.91071 8.30323 2.61179 -182.42012 843.87375
2950.0000 -189.07029 -180.83602 8.23426 2.65338 -181.66090 859.39625
2955.0000 -190.64259 -181.18357 9.45902 2.72133 -180.42050 871.64307
2960.0000 -189.32527 -181.73354 7.59173 2.65270 -181.67328 857.30555
2965.0000 -190.18895 -182.58260 7.60635 2.59177 -182.78559 792.83401
2970.0000 -190.86509 -182.08633 8.77876 2.61992 -182.27176 858.51722
2975.0000 -190.44098 -182.94490 7.49608 2.62128 -182.24689 807.68058
2980.0000 -189.85390 -181.80936 8.04454 2.60352 -182.57111 802.82144
2985.0000 -189.09470 -180.69977 8.39493 2.71254 -180.58097 875.77202
2990.0000 -189.30588 -178.59191 10.71397 2.75598 -179.78782 931.41478
2995.0000 -189.80259 -180.39303 9.40956 2.78375 -179.28102 933.79283
3000.0000 -191.66888 -183.32870 8.34018 2.61283 -182.40117 840.25185
FREEZING PROCESS: loop number 13 T-loop= 809.00000000000000
main_MD> interactions number 13 at Temperature= 809.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94138 -1.54158 0.29404
force_rgl> df(natom) -1.76796 3.41894 -1.37335
3005.0000 -191.34663 -183.35636 7.99027 2.55383 -183.47827 796.51639
3010.0000 -190.48419 -182.73579 7.74840 2.60531 -182.53842 809.03427
3015.0000 -191.78086 -183.65142 8.12944 2.57895 -183.01972 804.89555
3020.0000 -191.01392 -182.90025 8.11366 2.56131 -183.34174 785.19618
3025.0000 -189.28794 -180.99938 8.28856 2.61215 -182.41366 807.83838
3030.0000 -191.58572 -183.25285 8.33287 2.60943 -182.46326 817.21819
3035.0000 -191.83715 -183.33515 8.50200 2.56806 -183.21852 803.65719
3040.0000 -192.02036 -183.71702 8.30334 2.46404 -185.11749 754.30811
3045.0000 -192.12346 -184.47368 7.64977 2.51385 -184.20819 756.68482
3050.0000 -192.00517 -184.70434 7.30083 2.47945 -184.83619 723.85718
3055.0000 -191.17565 -184.32001 6.85564 2.47824 -184.85817 713.82304
3060.0000 -189.15341 -181.29274 7.86067 2.58826 -182.84980 801.77378
3065.0000 -189.90324 -181.88441 8.01883 2.65488 -181.63350 814.87451
3070.0000 -191.77858 -183.03931 8.73927 2.59896 -182.65441 829.88418
3075.0000 -191.94075 -184.84879 7.09196 2.49998 -184.46140 726.28199
3080.0000 -190.21310 -182.43371 7.77939 2.58649 -182.88204 809.41925
3085.0000 -189.16207 -180.13689 9.02518 2.67326 -181.29797 845.39000
3090.0000 -190.08730 -182.29404 7.79326 2.65687 -181.59714 828.93764
3095.0000 -189.04562 -181.44600 7.59963 2.67397 -181.28500 820.55484
3100.0000 -188.96599 -180.40173 8.56425 2.65890 -181.56015 834.53902
3105.0000 -191.49137 -182.37059 9.12078 2.69843 -180.83850 870.31213
3110.0000 -191.61015 -184.10564 7.50450 2.54329 -183.67064 747.63650
3115.0000 -191.67313 -183.88298 7.79015 2.55479 -183.46077 791.32882
3120.0000 -189.79280 -182.74012 7.05268 2.56728 -183.23280 782.44417
3125.0000 -191.10229 -183.93687 7.16543 2.56797 -183.22007 778.25412
3130.0000 -191.41119 -183.76513 7.64607 2.53986 -183.73322 779.77864
3135.0000 -190.78917 -182.67997 8.10921 2.53930 -183.74361 813.06195
3140.0000 -190.17775 -182.41671 7.76105 2.58078 -182.98627 805.43769
3145.0000 -191.59444 -183.93082 7.66361 2.60724 -182.50323 823.72629
3150.0000 -190.35743 -182.13187 8.22556 2.58088 -182.98446 809.47075
3155.0000 -187.86134 -180.20864 7.65269 2.64926 -181.73605 862.89219
3160.0000 -188.83680 -180.73436 8.10244 2.67260 -181.31001 866.61021
3165.0000 -190.83927 -183.73225 7.10702 2.58808 -182.85301 802.37968
3170.0000 -191.10575 -183.38768 7.71806 2.57386 -183.11258 807.35896
3175.0000 -190.62507 -182.86107 7.76400 2.56329 -183.30558 792.78360
3180.0000 -192.11139 -184.12123 7.99016 2.54608 -183.61974 762.34297
3185.0000 -192.31537 -184.35949 7.95588 2.47856 -184.85246 735.91098
3190.0000 -190.14870 -182.55635 7.59235 2.54001 -183.73050 795.14219
3195.0000 -190.55487 -181.53441 9.02046 2.59411 -182.74288 823.00075
3200.0000 -190.59362 -182.67140 7.92222 2.60870 -182.47658 833.08806
3205.0000 -191.67149 -183.65273 8.01876 2.54533 -183.63347 800.91876
3210.0000 -192.76405 -185.57651 7.18754 2.47565 -184.90546 752.90163
3215.0000 -192.31106 -184.00286 8.30821 2.45231 -185.33167 704.84617
3220.0000 -193.27718 -185.95951 7.31767 2.46864 -185.03349 738.61355
3225.0000 -192.04627 -182.57277 9.47350 2.56128 -183.34223 799.00154
3230.0000 -191.18731 -183.94070 7.24661 2.58830 -182.84908 783.04087
3235.0000 -190.27266 -181.95179 8.32088 2.58094 -182.98330 795.68238
3240.0000 -191.53035 -183.41184 8.11851 2.61293 -182.39942 826.88773
3245.0000 -190.92914 -183.82966 7.09948 2.51678 -184.15459 782.91486
3250.0000 -191.18975 -183.47133 7.71842 2.57762 -183.04401 813.75372
FREEZING PROCESS: loop number 14 T-loop= 784.00000000000000
main_MD> interactions number 14 at Temperature= 784.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03616 0.49349 1.09839
force_rgl> df(natom) 1.16436 -1.24439 0.69162
3255.0000 -191.96984 -182.58280 9.38704 2.56257 -183.31877 789.05175
3260.0000 -192.05064 -183.26803 8.78260 2.58771 -182.85983 795.88502
3265.0000 -189.74854 -181.50827 8.24027 2.58557 -182.89887 816.96427
3270.0000 -191.43070 -183.41412 8.01657 2.61097 -182.43515 834.64898
3275.0000 -191.54509 -183.51180 8.03329 2.51749 -184.14159 754.09764
3280.0000 -192.62912 -184.89114 7.73799 2.51405 -184.20447 765.07271
3285.0000 -190.85444 -183.69984 7.15460 2.46895 -185.02782 738.61701
3290.0000 -192.53120 -183.59988 8.93131 2.55397 -183.47569 816.19037
3295.0000 -191.24106 -182.57169 8.66937 2.55568 -183.44454 799.00219
3300.0000 -191.09919 -182.98422 8.11497 2.58853 -182.84489 787.95369
3305.0000 -191.20634 -183.59659 7.60975 2.54886 -183.56903 792.55244
3310.0000 -192.21275 -183.65994 8.55281 2.54842 -183.57711 783.06714
3315.0000 -190.44860 -182.21441 8.23418 2.59769 -182.67752 815.26301
3320.0000 -189.94188 -182.73177 7.21011 2.60435 -182.55607 829.58762
3325.0000 -190.83292 -183.83153 7.00139 2.56574 -183.26090 816.27240
3330.0000 -192.88442 -184.88412 8.00029 2.47467 -184.92338 761.67673
3335.0000 -190.69266 -183.23395 7.45871 2.51428 -184.20036 741.61310
3340.0000 -191.87301 -182.58367 9.28934 2.55232 -183.50588 784.46621
3345.0000 -192.33036 -182.83196 9.49840 2.58544 -182.90126 802.88024
3350.0000 -191.36293 -184.22629 7.13664 2.55428 -183.47006 777.08881
3355.0000 -191.59416 -183.42094 8.17323 2.55626 -183.43395 801.85476
3360.0000 -192.15878 -184.54776 7.61102 2.52657 -183.97592 778.34476
3365.0000 -191.97554 -184.50004 7.47551 2.49850 -184.48843 749.10819
3370.0000 -192.16092 -183.43084 8.73008 2.49572 -184.53906 746.20920
3375.0000 -193.03567 -185.53089 7.50478 2.51067 -184.26625 759.96914
3380.0000 -191.95822 -185.15839 6.79983 2.47756 -184.87057 747.97103
3385.0000 -190.92860 -183.38780 7.54080 2.56138 -183.34043 789.01101
3390.0000 -191.48348 -184.23570 7.24778 2.56209 -183.32756 775.34163
3395.0000 -192.17360 -183.40240 8.77119 2.53867 -183.75499 790.76712
3400.0000 -191.87588 -184.62795 7.24793 2.50783 -184.31800 757.54872
3405.0000 -191.15632 -183.53415 7.62216 2.53899 -183.74911 764.76058
3410.0000 -192.08609 -182.75710 9.32899 2.56645 -183.24795 771.26514
3415.0000 -191.63325 -182.92952 8.70374 2.57776 -183.04141 802.26523
3420.0000 -191.65074 -183.65010 8.00064 2.53609 -183.80214 768.11695
3425.0000 -191.45169 -184.31215 7.13954 2.50602 -184.35105 744.19898
3430.0000 -192.54106 -184.05991 8.48115 2.51477 -184.19141 783.88064
3435.0000 -192.48374 -184.65398 7.82975 2.54606 -183.62016 800.52064
3440.0000 -191.59355 -183.22298 8.37057 2.52593 -183.98764 771.19649
3445.0000 -190.22903 -182.64523 7.58381 2.58883 -182.83939 814.53736
3450.0000 -192.59648 -183.32781 9.26867 2.58813 -182.85212 797.59817
3455.0000 -191.28103 -182.72026 8.56077 2.56797 -183.22010 761.90060
3460.0000 -189.58623 -181.53231 8.05393 2.65750 -181.58572 862.34546
3465.0000 -191.77787 -182.52976 9.24811 2.59239 -182.77431 826.59500
3470.0000 -190.80394 -182.80370 8.00024 2.63390 -182.01648 853.52751
3475.0000 -191.18695 -184.26131 6.92564 2.52786 -183.95230 754.05622
3480.0000 -190.98972 -184.12525 6.86447 2.48567 -184.72258 721.12208
3485.0000 -192.04997 -184.86413 7.18585 2.49225 -184.60236 762.48267
3490.0000 -191.65874 -184.63354 7.02520 2.43221 -185.69846 715.22263
3495.0000 -192.82689 -184.64664 8.18025 2.48754 -184.68842 748.86309
3500.0000 -192.54738 -184.70277 7.84461 2.47725 -184.87631 730.88415
FREEZING PROCESS: loop number 15 T-loop= 759.00000000000000
main_MD> interactions number 15 at Temperature= 759.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.12160 2.40101 -1.36653
force_rgl> df(natom) -3.23285 1.41135 1.70058
3505.0000 -191.16466 -183.94589 7.21877 2.53432 -183.83436 762.00670
3510.0000 -190.46377 -182.49516 7.96861 2.59388 -182.74715 797.99231
3515.0000 -191.48375 -184.34592 7.13782 2.54328 -183.67078 783.86868
3520.0000 -191.58254 -184.51436 7.06818 2.52134 -184.07133 792.79373
3525.0000 -192.54952 -184.04364 8.50589 2.56603 -183.25562 803.62122
3530.0000 -192.74321 -184.97332 7.76989 2.51757 -184.14021 756.01885
3535.0000 -191.80903 -184.22425 7.58478 2.50792 -184.31645 773.59986
3540.0000 -194.40023 -185.97226 8.42798 2.45969 -185.19687 729.83148
3545.0000 -193.63628 -185.85966 7.77662 2.45040 -185.36638 709.52899
3550.0000 -193.67948 -186.44234 7.23714 2.44019 -185.55277 700.26265
3555.0000 -193.15764 -186.95271 6.20493 2.42014 -185.91879 701.25162
3560.0000 -192.27443 -185.37696 6.89748 2.37367 -186.76715 666.17586
3565.0000 -193.23717 -185.87704 7.36013 2.41673 -185.98115 729.49983
3570.0000 -192.78294 -184.86203 7.92091 2.45576 -185.26866 750.42471
3575.0000 -193.04712 -185.53645 7.51066 2.45111 -185.35340 749.60913
3580.0000 -191.66021 -184.39824 7.26197 2.48459 -184.74233 727.61030
3585.0000 -192.81049 -184.89399 7.91651 2.53663 -183.79224 791.01911
3590.0000 -190.75339 -183.12116 7.63223 2.52348 -184.03238 740.53712
3595.0000 -191.15499 -182.10896 9.04603 2.54752 -183.59342 774.25859
3600.0000 -190.54174 -182.16729 8.37445 2.59182 -182.78466 809.98096
3605.0000 -190.26044 -182.01909 8.24135 2.61019 -182.44932 822.29819
3610.0000 -193.22653 -185.02649 8.20004 2.56383 -183.29578 761.93315
3615.0000 -191.46489 -183.95627 7.50862 2.47213 -184.96977 759.69887
3620.0000 -190.57543 -183.33300 7.24243 2.47262 -184.96080 725.34141
3625.0000 -192.95496 -184.47606 8.47890 2.54516 -183.63659 792.16698
3630.0000 -190.90690 -184.01764 6.88926 2.52911 -183.92946 765.11385
3635.0000 -192.99877 -185.98532 7.01344 2.50003 -184.46040 754.00291
3640.0000 -192.52742 -185.21556 7.31187 2.41823 -185.95367 695.71301
3645.0000 -192.42744 -184.37138 8.05605 2.44352 -185.49209 696.28611
3650.0000 -192.37659 -185.10476 7.27183 2.51810 -184.13063 756.17312
3655.0000 -193.25872 -186.20087 7.05785 2.43194 -185.70337 695.32571
3660.0000 -190.94791 -183.34503 7.60288 2.47499 -184.91755 732.70027
3665.0000 -192.07699 -184.21277 7.86422 2.52922 -183.92762 785.14444
3670.0000 -192.12578 -183.56110 8.56468 2.56595 -183.25700 820.56324
3675.0000 -192.60356 -184.45827 8.14529 2.50835 -184.30858 788.39327
3680.0000 -191.46189 -184.63935 6.82254 2.51331 -184.21794 797.78565
3685.0000 -191.75412 -183.63919 8.11493 2.48468 -184.74070 743.78163
3690.0000 -190.86513 -184.37443 6.49070 2.52772 -183.95484 750.53166
3695.0000 -191.37112 -183.99937 7.37175 2.55040 -183.54092 789.07352
3700.0000 -192.67013 -184.36972 8.30041 2.50697 -184.33372 769.99007
3705.0000 -191.87750 -184.30408 7.57343 2.51845 -184.12413 748.27895
3710.0000 -191.27654 -182.51794 8.75860 2.55252 -183.50213 783.89101
3715.0000 -190.29386 -182.76374 7.53012 2.57217 -183.14344 794.22103
3720.0000 -190.74736 -183.95404 6.79331 2.57634 -183.06742 790.55841
3725.0000 -191.28036 -183.07107 8.20929 2.55398 -183.47561 788.67618
3730.0000 -190.55670 -181.84491 8.71179 2.64216 -181.86578 821.81290
3735.0000 -193.13925 -184.47810 8.66115 2.55973 -183.37061 786.79960
3740.0000 -192.40508 -184.48492 7.92016 2.47501 -184.91726 735.37513
3745.0000 -190.69184 -183.21576 7.47608 2.52376 -184.02717 750.13516
3750.0000 -191.91826 -183.73318 8.18509 2.59559 -182.71598 810.32749
FREEZING PROCESS: loop number 16 T-loop= 734.00000000000000
main_MD> interactions number 16 at Temperature= 734.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.14037 -5.15571 -4.75390
force_rgl> df(natom) 3.63204 1.55001 0.86475
3755.0000 -191.71469 -184.30028 7.41441 2.48201 -184.78938 732.14006
3760.0000 -194.06081 -186.48462 7.57619 2.46142 -185.16531 716.65678
3765.0000 -193.49112 -187.22732 6.26380 2.38375 -186.58321 707.12920
3770.0000 -193.33085 -186.08241 7.24844 2.35600 -187.08976 684.20879
3775.0000 -191.18937 -184.55470 6.63466 2.49390 -184.57228 773.57540
3780.0000 -191.61101 -184.59044 7.02057 2.48842 -184.67236 729.78160
3785.0000 -192.77047 -185.38248 7.38799 2.47786 -184.86524 729.87175
3790.0000 -190.94528 -183.72804 7.21723 2.50631 -184.34577 747.39277
3795.0000 -192.57023 -184.43425 8.13599 2.52927 -183.92667 765.37933
3800.0000 -192.47625 -185.61779 6.85846 2.46078 -185.17690 712.08769
3805.0000 -192.84151 -185.63232 7.20919 2.47655 -184.88915 742.83117
3810.0000 -192.87223 -185.47193 7.40029 2.43069 -185.72629 693.30901
3815.0000 -193.07887 -184.79159 8.28728 2.45463 -185.28931 734.04867
3820.0000 -192.66352 -184.25639 8.40713 2.49190 -184.60891 764.02511
3825.0000 -191.58397 -184.23664 7.34733 2.53655 -183.79366 778.00933
3830.0000 -191.10342 -184.04243 7.06099 2.47218 -184.96875 729.20643
3835.0000 -191.76532 -183.71768 8.04764 2.50317 -184.40303 764.25940
3840.0000 -192.25315 -185.67957 6.57358 2.45882 -185.21278 726.00831
3845.0000 -193.73171 -186.16845 7.56326 2.44651 -185.43748 711.31466
3850.0000 -191.36709 -184.64039 6.72670 2.44694 -185.42958 722.42834
3855.0000 -191.87903 -183.91330 7.96574 2.52826 -183.94512 761.11417
3860.0000 -191.86987 -183.65186 8.21800 2.55090 -183.53173 815.93428
3865.0000 -191.99188 -184.96262 7.02926 2.52411 -184.02081 784.87730
3870.0000 -192.03305 -185.16373 6.86932 2.46274 -185.14122 729.01013
3875.0000 -191.89182 -185.09428 6.79754 2.46690 -185.06525 729.39873
3880.0000 -192.61996 -184.80427 7.81570 2.48984 -184.64643 768.35360
3885.0000 -190.99827 -184.71267 6.28560 2.47565 -184.90553 740.17693
3890.0000 -190.76826 -183.04830 7.71996 2.53164 -183.88339 776.77515
3895.0000 -192.22151 -184.94139 7.28012 2.47263 -184.96067 751.52431
3900.0000 -191.43899 -183.55006 7.88893 2.50085 -184.44551 764.33078
3905.0000 -192.68322 -184.46258 8.22064 2.49958 -184.46862 755.23903
3910.0000 -193.02295 -185.41644 7.60652 2.46341 -185.12903 713.47208
3915.0000 -191.89311 -185.01607 6.87704 2.44763 -185.41709 721.71723
3920.0000 -192.35221 -185.18903 7.16318 2.53139 -183.88796 761.92241
3925.0000 -192.88147 -185.41375 7.46773 2.42757 -185.78323 731.78325
3930.0000 -191.07875 -183.45815 7.62060 2.44444 -185.47521 724.10200
3935.0000 -191.50030 -184.29238 7.20792 2.54281 -183.67943 744.67902
3940.0000 -193.14460 -186.39543 6.74917 2.44071 -185.54336 713.47118
3945.0000 -191.86019 -184.91694 6.94325 2.42996 -185.73955 684.47037
3950.0000 -193.12513 -185.45079 7.67433 2.44935 -185.38568 733.32391
3955.0000 -194.28844 -186.58690 7.70154 2.38219 -186.61172 670.50819
3960.0000 -192.42263 -185.98384 6.43879 2.40757 -186.14837 703.65652
3965.0000 -192.15341 -184.47853 7.67488 2.45820 -185.22406 732.18156
3970.0000 -191.29959 -184.16791 7.13169 2.49130 -184.61985 735.60500
3975.0000 -189.61277 -181.54524 8.06753 2.51124 -184.25579 746.98636
3980.0000 -190.89698 -183.79166 7.10532 2.59453 -182.73529 801.54607
3985.0000 -191.17843 -183.31981 7.85862 2.58261 -182.95287 806.14269
3990.0000 -192.08752 -184.97078 7.11675 2.51346 -184.21517 730.89576
3995.0000 -193.17660 -186.69696 6.47964 2.42771 -185.78060 710.59981
4000.0000 -194.41424 -187.49721 6.91704 2.38261 -186.60408 685.35393
FREEZING PROCESS: loop number 17 T-loop= 709.00000000000000
main_MD> interactions number 17 at Temperature= 709.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.75320 -1.49201 -1.12588
force_rgl> df(natom) -0.94866 4.34099 2.71241
4005.0000 -193.22266 -186.63023 6.59242 2.36853 -186.86112 668.26752
4010.0000 -193.74013 -187.03190 6.70823 2.35027 -187.19439 667.82659
4015.0000 -192.80183 -187.43311 5.36873 2.36915 -186.84980 687.87786
4020.0000 -193.25324 -186.35439 6.89885 2.37588 -186.72685 667.14852
4025.0000 -192.39350 -185.37887 7.01463 2.43187 -185.70465 698.46762
4030.0000 -192.32548 -184.96212 7.36336 2.46991 -185.01032 726.06994
4035.0000 -193.41151 -185.92726 7.48425 2.43721 -185.60717 714.08831
4040.0000 -191.69196 -184.39111 7.30085 2.53092 -183.89655 774.47983
4045.0000 -193.62588 -186.35710 7.26878 2.44899 -185.39215 717.87344
4050.0000 -194.16657 -187.26936 6.89721 2.36534 -186.91934 670.83147
4055.0000 -191.43308 -184.29210 7.14097 2.41142 -186.07809 698.50169
4060.0000 -192.56003 -185.88148 6.67855 2.47401 -184.93550 751.79821
4065.0000 -192.58044 -184.86463 7.71581 2.45258 -185.32670 715.23209
4070.0000 -192.51467 -185.31575 7.19892 2.46744 -185.05545 724.45556
4075.0000 -191.86265 -185.03181 6.83084 2.43678 -185.61507 718.16235
4080.0000 -191.91730 -184.64325 7.27405 2.49589 -184.53605 745.04386
4085.0000 -194.43878 -187.12484 7.31394 2.45014 -185.37113 707.77440
4090.0000 -193.70301 -186.88452 6.81849 2.40684 -186.16165 700.12268
4095.0000 -194.06632 -186.33438 7.73194 2.39570 -186.36497 686.89590
4100.0000 -192.05594 -185.25703 6.79891 2.39488 -186.37993 674.43012
4105.0000 -193.35427 -186.73177 6.62249 2.41839 -185.95085 725.53023
4110.0000 -194.07315 -187.24527 6.82788 2.33370 -187.49696 641.81876
4115.0000 -193.41704 -186.50492 6.91212 2.38664 -186.53045 685.07437
4120.0000 -192.90328 -185.88684 7.01645 2.44205 -185.51880 729.32903
4125.0000 -194.57826 -186.93403 7.64423 2.36715 -186.88627 668.63380
4130.0000 -193.92929 -186.92784 7.00144 2.33735 -187.43033 646.58443
4135.0000 -193.05621 -186.55312 6.50308 2.37076 -186.82041 656.15453
4140.0000 -192.89418 -186.39872 6.49546 2.37826 -186.68334 676.73302
4145.0000 -192.48143 -184.99484 7.48659 2.43997 -185.55679 726.88241
4150.0000 -193.57714 -185.26315 8.31399 2.45722 -185.24187 735.56271
4155.0000 -192.11315 -185.74433 6.36883 2.46071 -185.17831 732.26949
4160.0000 -192.51880 -185.57358 6.94522 2.45077 -185.35976 713.85091
4165.0000 -191.73275 -185.15524 6.57750 2.44600 -185.44677 688.36490
4170.0000 -193.05932 -186.69025 6.36906 2.46429 -185.11296 724.56871
4175.0000 -193.21650 -186.06436 7.15213 2.39123 -186.44657 679.04776
4180.0000 -193.11640 -185.17217 7.94423 2.44802 -185.40998 731.99572
4185.0000 -192.47167 -184.90552 7.56616 2.44990 -185.37554 706.89839
4190.0000 -193.81849 -187.61968 6.19881 2.40704 -186.15802 686.93102
4195.0000 -192.14319 -186.61831 5.52488 2.31847 -187.77482 633.53202
4200.0000 -194.21015 -187.56077 6.64938 2.35762 -187.06028 661.31026
4205.0000 -192.64733 -186.56589 6.08144 2.35643 -187.08196 652.39677
4210.0000 -194.18233 -186.83568 7.34665 2.39168 -186.43847 663.28574
4215.0000 -194.03540 -186.39453 7.64087 2.36580 -186.91086 680.27579
4220.0000 -192.35150 -184.60148 7.75002 2.42059 -185.91056 711.25438
4225.0000 -192.67385 -185.44439 7.22946 2.45352 -185.30946 723.38133
4230.0000 -192.12654 -185.37144 6.75509 2.44026 -185.55151 721.11140
4235.0000 -193.29653 -185.34003 7.95650 2.45950 -185.20031 737.68078
4240.0000 -192.81801 -185.09762 7.72039 2.46258 -185.14404 728.57141
4245.0000 -193.53210 -186.66111 6.87099 2.36892 -186.85399 662.01576
4250.0000 -193.63923 -186.66192 6.97732 2.45655 -185.25423 748.60448
FREEZING PROCESS: loop number 18 T-loop= 684.00000000000000
main_MD> interactions number 18 at Temperature= 684.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.76764 1.60311 -2.14362
force_rgl> df(natom) -0.13053 1.12190 6.38634
4255.0000 -193.90059 -187.36190 6.53869 2.38044 -186.64368 694.45667
4260.0000 -193.48080 -186.90241 6.57838 2.36471 -186.93071 688.10116
4265.0000 -192.74575 -184.47333 8.27241 2.44055 -185.54629 711.11790
4270.0000 -192.28046 -184.53419 7.74627 2.49089 -184.62721 765.71876
4275.0000 -192.84849 -186.44545 6.40303 2.42724 -185.78929 715.53672
4280.0000 -193.41901 -186.50944 6.90957 2.40347 -186.22321 696.65473
4285.0000 -194.62192 -187.36452 7.25740 2.36623 -186.90297 676.17197
4290.0000 -194.24721 -188.38529 5.86192 2.30332 -188.05145 628.60567
4295.0000 -195.51131 -188.38044 7.13087 2.28462 -188.39289 641.93721
4300.0000 -193.13613 -186.69172 6.44441 2.32556 -187.64547 669.68842
4305.0000 -193.44710 -187.25184 6.19526 2.38149 -186.62444 659.97787
4310.0000 -193.16821 -187.80612 5.36209 2.37063 -186.82261 656.71498
4315.0000 -193.12032 -185.31593 7.80439 2.38368 -186.58441 678.48362
4320.0000 -193.39548 -185.17405 8.22143 2.44152 -185.52860 709.13059
4325.0000 -193.71452 -185.83609 7.87843 2.42390 -185.85028 699.65641
4330.0000 -191.85428 -184.59411 7.26017 2.43826 -185.58803 707.77148
4335.0000 -192.99742 -186.21060 6.78683 2.46234 -185.14852 715.48836
4340.0000 -192.00601 -185.35190 6.65411 2.44827 -185.40524 721.65217
4345.0000 -193.12169 -187.06442 6.05727 2.40506 -186.19410 675.32490
4350.0000 -191.59111 -184.71166 6.87945 2.40520 -186.19161 694.10468
4355.0000 -194.71029 -187.40274 7.30755 2.38746 -186.51538 699.57350
4360.0000 -194.22381 -187.58230 6.64150 2.35277 -187.14868 650.71695
4365.0000 -193.29023 -186.77169 6.51854 2.35211 -187.16076 651.23659
4370.0000 -193.58684 -186.99784 6.58899 2.37503 -186.74233 674.00812
4375.0000 -193.54815 -186.63314 6.91501 2.38495 -186.56136 698.26292
4380.0000 -192.92498 -186.73223 6.19276 2.35281 -187.14803 654.42941
4385.0000 -194.53734 -187.61037 6.92697 2.32424 -187.66961 619.29314
4390.0000 -193.08232 -187.30736 5.77496 2.33644 -187.44688 642.25912
4395.0000 -193.36164 -186.95366 6.40797 2.34218 -187.34213 646.79555
4400.0000 -193.97727 -187.73843 6.23884 2.36188 -186.98247 673.24672
4405.0000 -191.86752 -185.90183 5.96568 2.36657 -186.89690 659.45370
4410.0000 -193.43293 -187.33413 6.09880 2.39524 -186.37340 660.54759
4415.0000 -193.22787 -186.37626 6.85161 2.37020 -186.83058 672.88032
4420.0000 -192.18094 -185.17992 7.00103 2.42470 -185.83567 712.36755
4425.0000 -194.37994 -188.59057 5.78937 2.39347 -186.40577 693.96991
4430.0000 -192.91376 -185.03105 7.88270 2.35849 -187.04437 660.79516
4435.0000 -193.63857 -185.36263 8.27593 2.45460 -185.28970 708.55079
4440.0000 -193.09256 -186.62965 6.46291 2.43282 -185.68735 705.87700
4445.0000 -193.59664 -187.08964 6.50700 2.38365 -186.58505 666.93045
4450.0000 -192.42398 -185.74942 6.67456 2.42029 -185.91621 697.80037
4455.0000 -194.15020 -186.54469 7.60551 2.41882 -185.94305 697.48274
4460.0000 -193.76567 -185.38428 8.38139 2.39620 -186.35593 686.11922
4465.0000 -193.99107 -186.62106 7.37001 2.38871 -186.49267 681.22000
4470.0000 -193.61406 -187.00794 6.60613 2.36580 -186.91091 703.71952
4475.0000 -193.21338 -187.25048 5.96291 2.34836 -187.22919 660.60005
4480.0000 -193.69963 -186.42315 7.27648 2.33988 -187.38398 641.53578
4485.0000 -194.12042 -186.72019 7.40023 2.36791 -186.87237 664.25276
4490.0000 -193.44828 -185.49324 7.95504 2.40472 -186.20037 670.17621
4495.0000 -193.47958 -187.27013 6.20945 2.37942 -186.66216 669.81439
4500.0000 -192.86018 -186.70322 6.15696 2.36114 -186.99593 646.88470
FREEZING PROCESS: loop number 19 T-loop= 659.00000000000000
main_MD> interactions number 19 at Temperature= 659.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.19272 0.31811 -1.37641
force_rgl> df(natom) -1.57622 -1.22150 1.77794
4505.0000 -193.46589 -186.18659 7.27930 2.41837 -185.95119 678.19631
4510.0000 -193.33168 -186.34027 6.99141 2.42773 -185.78029 691.26543
4515.0000 -192.32486 -184.97920 7.34566 2.41328 -186.04413 689.10052
4520.0000 -193.54636 -186.80710 6.73926 2.39266 -186.42046 683.41638
4525.0000 -195.08574 -189.50166 5.58409 2.26419 -188.76579 611.85645
4530.0000 -194.04714 -186.97180 7.07533 2.29929 -188.12509 625.98731
4535.0000 -192.65398 -186.11329 6.54069 2.39042 -186.46142 673.00508
4540.0000 -193.10927 -186.75489 6.35438 2.37945 -186.66164 670.53520
4545.0000 -192.74154 -186.70815 6.03339 2.37488 -186.74505 646.31415
4550.0000 -193.18578 -186.66980 6.51598 2.39625 -186.35507 675.39395
4555.0000 -194.25802 -186.94124 7.31678 2.35461 -187.11512 670.44735
4560.0000 -194.03683 -187.91733 6.11950 2.34764 -187.24246 650.09752
4565.0000 -193.44478 -186.24478 7.20000 2.36831 -186.86510 675.78542
4570.0000 -193.65323 -187.34354 6.30968 2.36596 -186.90791 679.08529
4575.0000 -193.93857 -187.36904 6.56953 2.33574 -187.45957 640.13299
4580.0000 -195.25052 -188.81208 6.43844 2.32010 -187.74517 640.95851
4585.0000 -194.04639 -188.41234 5.63405 2.27253 -188.61365 590.90977
4590.0000 -194.29752 -187.57093 6.72659 2.28897 -188.31350 598.37998
4595.0000 -193.87048 -186.55577 7.31471 2.40087 -186.27058 700.55140
4600.0000 -193.41110 -188.16009 5.25101 2.31775 -187.78805 632.66667
4605.0000 -193.41311 -185.97967 7.43345 2.40497 -186.19582 700.46805
4610.0000 -192.65313 -186.44930 6.20383 2.43400 -185.66592 716.41182
4615.0000 -194.35026 -188.73009 5.62017 2.33334 -187.50351 635.12271
4620.0000 -193.45972 -186.87278 6.58695 2.31257 -187.88259 615.94153
4625.0000 -193.25368 -186.72385 6.52984 2.33525 -187.46864 638.52240
4630.0000 -193.61213 -186.04657 7.56556 2.37946 -186.66156 657.09607
4635.0000 -193.39054 -186.71458 6.67596 2.43676 -185.61550 705.43989
4640.0000 -193.82529 -186.51705 7.30823 2.35530 -187.10258 652.32870
4645.0000 -192.68327 -185.75922 6.92405 2.40119 -186.26482 692.61702
4650.0000 -193.56251 -187.35896 6.20356 2.38930 -186.48178 700.02486
4655.0000 -194.87189 -188.00626 6.86563 2.30353 -188.04759 623.74254
4660.0000 -194.20654 -187.66611 6.54043 2.33807 -187.41707 647.29978
4665.0000 -195.22284 -189.25693 5.96591 2.27072 -188.64668 618.88393
4670.0000 -193.70540 -187.71163 5.99377 2.30795 -187.96701 647.05306
4675.0000 -192.28661 -185.84143 6.44518 2.35933 -187.02897 647.72118
4680.0000 -192.98941 -186.11445 6.87496 2.43390 -185.66766 691.95935
4685.0000 -193.83151 -186.37041 7.46110 2.40552 -186.18583 684.63747
4690.0000 -193.49663 -186.01650 7.48013 2.40665 -186.16504 707.36618
4695.0000 -194.31516 -186.95369 7.36148 2.40308 -186.23039 695.82341
4700.0000 -193.31774 -186.85600 6.46173 2.35408 -187.12488 676.70384
4705.0000 -193.02785 -185.79443 7.23342 2.36264 -186.96861 683.31281
4710.0000 -194.26828 -187.02636 7.24192 2.37228 -186.79257 666.60474
4715.0000 -193.41942 -187.32667 6.09275 2.37700 -186.70641 667.29602
4720.0000 -192.39770 -186.00062 6.39708 2.39463 -186.38452 675.76967
4725.0000 -193.53327 -187.13549 6.39779 2.36940 -186.84512 657.88347
4730.0000 -194.45837 -187.85819 6.60018 2.32415 -187.67124 641.06162
4735.0000 -194.05888 -187.77070 6.28818 2.31560 -187.82734 634.79847
4740.0000 -193.31539 -188.05457 5.26083 2.31722 -187.79774 631.31069
4745.0000 -193.79715 -186.12919 7.66796 2.34065 -187.37001 641.61187
4750.0000 -193.26012 -185.79144 7.46868 2.41190 -186.06928 688.71483
FREEZING PROCESS: loop number 20 T-loop= 634.00000000000000
main_MD> interactions number 20 at Temperature= 634.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83305 -0.75494 -1.35563
force_rgl> df(natom) 2.85766 0.93280 -0.52700
4755.0000 -190.77121 -184.06716 6.70404 2.48563 -184.72326 717.40309
4760.0000 -193.20639 -187.14326 6.06312 2.45851 -185.21848 724.99303
4765.0000 -194.99981 -187.44258 7.55723 2.31946 -187.75687 635.61360
4770.0000 -194.18050 -187.77728 6.40323 2.32124 -187.72436 645.01645
4775.0000 -193.52764 -186.46220 7.06544 2.36563 -186.91405 663.40809
4780.0000 -193.55791 -187.25352 6.30439 2.38503 -186.55983 696.82985
4785.0000 -194.30027 -187.21017 7.09009 2.31716 -187.79890 664.98487
4790.0000 -192.45700 -186.44114 6.01586 2.35131 -187.17541 685.66420
4795.0000 -193.44252 -186.98677 6.45575 2.38555 -186.55034 666.48798
4800.0000 -194.16803 -186.68935 7.47868 2.34942 -187.20985 641.35407
4805.0000 -194.22103 -187.87802 6.34300 2.37857 -186.67780 657.19785
4810.0000 -193.34903 -187.20922 6.13981 2.32675 -187.62377 634.14561
4815.0000 -194.25758 -187.84031 6.41726 2.28518 -188.38257 637.37878
4820.0000 -193.17050 -187.59457 5.57592 2.28927 -188.30793 632.62688
4825.0000 -193.70009 -186.81107 6.88901 2.37102 -186.81549 655.05673
4830.0000 -193.73078 -186.54904 7.18174 2.36933 -186.84640 644.34438
4835.0000 -193.99446 -187.34055 6.65391 2.41809 -185.95636 702.23704
4840.0000 -194.36867 -187.38927 6.97940 2.33356 -187.49951 664.34166
4845.0000 -192.69762 -186.38182 6.31581 2.37273 -186.78433 671.66953
4850.0000 -194.21066 -187.09581 7.11485 2.41370 -186.03637 692.00282
4855.0000 -194.10454 -188.38661 5.71793 2.30091 -188.09549 629.27646
4860.0000 -193.94527 -188.06889 5.87638 2.30806 -187.96496 656.99553
4865.0000 -195.78005 -188.81569 6.96437 2.27445 -188.57845 652.84909
4870.0000 -196.07319 -189.97802 6.09517 2.24969 -189.03045 677.17532
4875.0000 -196.21487 -189.76859 6.44628 2.17967 -190.30875 630.68637
4880.0000 -195.34475 -189.60009 5.74467 2.16670 -190.54551 583.28017
4885.0000 -194.66377 -188.17073 6.49305 2.24588 -189.10003 629.43977
4890.0000 -195.62015 -189.96294 5.65721 2.25291 -188.97179 626.11034
4895.0000 -194.55069 -187.83755 6.71315 2.24229 -189.16555 622.44133
4900.0000 -195.26750 -189.39658 5.87092 2.30117 -188.09082 640.53652
4905.0000 -194.96047 -188.76316 6.19731 2.21538 -189.65692 586.91525
4910.0000 -194.25440 -187.24951 7.00488 2.34064 -187.37027 690.26833
4915.0000 -194.62080 -188.82190 5.79889 2.30998 -187.92983 634.69383
4920.0000 -193.79288 -187.31989 6.47299 2.29013 -188.29229 601.70990
4925.0000 -194.67856 -187.88249 6.79607 2.31341 -187.86726 626.92675
4930.0000 -195.65884 -188.72422 6.93462 2.28444 -188.39614 634.61230
4935.0000 -194.22720 -187.93210 6.29509 2.30496 -188.02162 637.27146
4940.0000 -193.28749 -186.47131 6.81618 2.32239 -187.70343 651.06682
4945.0000 -195.18180 -189.04830 6.13351 2.28243 -188.43276 620.46093
4950.0000 -195.12697 -187.87934 7.24763 2.30895 -187.94872 651.64686
4955.0000 -193.46464 -188.20907 5.25557 2.31737 -187.79506 625.87112
4960.0000 -194.73132 -188.01204 6.71928 2.30384 -188.04207 619.07227
4965.0000 -194.20768 -188.19380 6.01388 2.32410 -187.67212 651.51690
4970.0000 -195.64480 -190.09969 5.54512 2.22179 -189.53994 578.88504
4975.0000 -195.47130 -189.70700 5.76430 2.17597 -190.37631 543.24342
4980.0000 -194.57601 -188.00340 6.57260 2.26218 -188.80246 616.39423
4985.0000 -194.60946 -188.40738 6.20208 2.27577 -188.55450 617.23768
4990.0000 -192.85048 -185.60352 7.24697 2.38115 -186.63072 687.61037
4995.0000 -193.86266 -186.26852 7.59414 2.38736 -186.51731 678.85140
5000.0000 -195.47866 -189.66524 5.81342 2.30458 -188.02850 623.50495
FREEZING PROCESS: loop number 21 T-loop= 609.00000000000000
main_MD> interactions number 21 at Temperature= 609.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.03851 -1.02174 -0.00524
force_rgl> df(natom) -0.03369 -0.14432 -1.86361
5005.0000 -194.07738 -188.98290 5.09447 2.22447 -189.49086 540.08237
5010.0000 -193.55050 -187.32753 6.22297 2.30437 -188.03234 612.36136
5015.0000 -194.73088 -188.20429 6.52660 2.31218 -187.88983 624.19017
5020.0000 -194.12978 -188.16200 5.96778 2.29327 -188.23502 607.57444
5025.0000 -193.79667 -187.09135 6.70533 2.32411 -187.67192 630.19927
5030.0000 -194.16253 -186.77084 7.39169 2.36586 -186.90978 640.71343
5035.0000 -192.69366 -186.58506 6.10860 2.39783 -186.32620 681.09688
5040.0000 -194.00949 -188.34091 5.66858 2.30484 -188.02372 612.81700
5045.0000 -195.10898 -189.87210 5.23688 2.26050 -188.83318 604.04352
5050.0000 -195.69208 -189.25052 6.44156 2.20840 -189.78423 573.58090
5055.0000 -197.39684 -190.64868 6.74816 2.21010 -189.75323 582.36986
5060.0000 -195.88906 -190.61776 5.27131 2.13781 -191.07300 548.42993
5065.0000 -196.25021 -190.48692 5.76329 2.16882 -190.50691 580.26944
5070.0000 -196.08017 -190.22609 5.85408 2.17722 -190.35352 574.77382
5075.0000 -195.80689 -190.51640 5.29049 2.17013 -190.48304 556.12995
5080.0000 -195.74421 -189.54047 6.20374 2.18141 -190.27710 535.69432
5085.0000 -195.04326 -188.08635 6.95691 2.25732 -188.89116 570.82963
5090.0000 -195.67480 -190.21185 5.46294 2.24849 -189.05242 597.67768
5095.0000 -194.55556 -189.35186 5.20370 2.23213 -189.35115 561.09917
5100.0000 -195.86356 -189.99457 5.86899 2.20376 -189.86910 566.53644
5105.0000 -196.04115 -190.40661 5.63454 2.19811 -189.97220 552.46551
5110.0000 -196.00527 -190.65868 5.34659 2.16415 -190.59211 538.74544
5115.0000 -195.99075 -190.43245 5.55830 2.18735 -190.16853 566.23743
5120.0000 -195.56601 -189.84174 5.72427 2.17585 -190.37852 558.22047
5125.0000 -194.87690 -189.39037 5.48654 2.22014 -189.57003 577.97793
5130.0000 -194.72583 -188.69949 6.02635 2.24512 -189.11393 599.23530
5135.0000 -194.96467 -189.13482 5.82985 2.26130 -188.81866 603.15424
5140.0000 -195.31700 -190.20766 5.10935 2.21632 -189.63981 565.80242
5145.0000 -195.52740 -190.03038 5.49702 2.19910 -189.95406 563.89979
5150.0000 -195.72460 -190.20573 5.51888 2.19170 -190.08912 564.18460
5155.0000 -195.79814 -190.73994 5.05820 2.20307 -189.88166 570.94307
5160.0000 -194.27433 -188.98442 5.28991 2.20000 -189.93773 578.96924
5165.0000 -193.89882 -188.47196 5.42686 2.28843 -188.32332 622.89021
5170.0000 -195.14226 -189.59112 5.55115 2.23845 -189.23581 596.67114
5175.0000 -195.28807 -188.88859 6.39948 2.27582 -188.55345 601.35682
5180.0000 -195.18355 -189.35974 5.82380 2.24191 -189.17254 604.46695
5185.0000 -194.97137 -188.96326 6.00811 2.22552 -189.47172 588.18984
5190.0000 -196.05095 -190.02419 6.02676 2.19467 -190.03497 565.97506
5195.0000 -194.55951 -188.65733 5.90218 2.23022 -189.38591 572.67592
5200.0000 -194.37024 -188.67435 5.69589 2.26095 -188.82503 579.42687
5205.0000 -194.61833 -187.72036 6.89797 2.27737 -188.52530 636.03227
5210.0000 -194.09892 -188.13651 5.96240 2.30193 -188.07692 624.00112
5215.0000 -193.31369 -185.97077 7.34292 2.32682 -187.62242 667.66334
5220.0000 -194.43472 -188.25962 6.17511 2.31775 -187.78799 630.05630
5225.0000 -193.45612 -186.83007 6.62605 2.32662 -187.62609 644.00979
5230.0000 -193.34348 -186.83751 6.50598 2.33665 -187.44303 634.27352
5235.0000 -193.59561 -187.27209 6.32351 2.32880 -187.58630 625.75514
5240.0000 -194.34001 -187.66133 6.67867 2.34454 -187.29896 640.31509
5245.0000 -193.57838 -187.47507 6.10331 2.33435 -187.48508 632.87787
5250.0000 -194.56703 -188.75983 5.80720 2.30829 -187.96083 619.70277
FREEZING PROCESS: loop number 22 T-loop= 584.00000000000000
main_MD> interactions number 22 at Temperature= 584.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.82380 -0.36498 0.84574
force_rgl> df(natom) 0.22593 -0.84215 -0.93621
5255.0000 -194.79682 -188.38025 6.41657 2.26091 -188.82579 601.02711
5260.0000 -195.35403 -188.53913 6.81490 2.26240 -188.79845 614.00072
5265.0000 -195.85333 -189.90548 5.94786 2.24084 -189.19207 592.64036
5270.0000 -196.74966 -191.00745 5.74220 2.16331 -190.60754 532.67300
5275.0000 -195.45602 -189.85577 5.60026 2.17025 -190.48085 547.71235
5280.0000 -195.24928 -189.89080 5.35848 2.16943 -190.49576 558.74734
5285.0000 -195.48005 -190.09561 5.38444 2.19884 -189.95891 567.49113
5290.0000 -195.51698 -190.41973 5.09724 2.21582 -189.64883 583.63218
5295.0000 -194.97416 -189.44800 5.52616 2.19621 -190.00688 567.87733
5300.0000 -195.45986 -189.47847 5.98139 2.21141 -189.72929 576.49399
5305.0000 -195.04425 -189.07945 5.96481 2.26730 -188.70908 602.22233
5310.0000 -194.14043 -187.77202 6.36842 2.27217 -188.62013 611.65203
5315.0000 -194.26133 -188.21821 6.04312 2.31146 -187.90296 627.08054
5320.0000 -196.16114 -190.10569 6.05545 2.25389 -188.95383 599.47373
5325.0000 -195.30595 -189.12078 6.18517 2.21940 -189.58358 583.62720
5330.0000 -196.64971 -190.60253 6.04718 2.22651 -189.45369 597.23691
5335.0000 -196.64291 -189.55571 7.08721 2.18353 -190.23841 568.25969
5340.0000 -195.60381 -189.54433 6.05947 2.22638 -189.45603 605.37048
5345.0000 -196.41304 -189.95600 6.45704 2.22939 -189.40114 596.34164
5350.0000 -194.51073 -189.00481 5.50591 2.22309 -189.51620 606.75184
5355.0000 -194.43625 -188.95815 5.47810 2.27462 -188.57538 600.28457
5360.0000 -195.74823 -189.11479 6.63344 2.25978 -188.84636 590.00902
5365.0000 -195.49200 -189.58356 5.90844 2.23140 -189.36444 608.57377
5370.0000 -194.60765 -188.97343 5.63422 2.25703 -188.89645 597.30590
5375.0000 -195.34001 -190.42113 4.91887 2.22906 -189.40718 582.14041
5380.0000 -195.81845 -189.94944 5.86901 2.20266 -189.88913 555.06729
5385.0000 -196.24806 -190.88062 5.36744 2.14365 -190.96630 533.21062
5390.0000 -194.46789 -189.40252 5.06537 2.18213 -190.26393 558.27404
5395.0000 -195.85057 -189.98568 5.86489 2.22104 -189.55360 572.38824
5400.0000 -196.66360 -190.03639 6.62722 2.18049 -190.29388 547.60868
5405.0000 -195.95563 -190.54976 5.40587 2.18039 -190.29557 537.06451
5410.0000 -195.93587 -189.57782 6.35805 2.17200 -190.44888 556.67745
5415.0000 -195.58052 -190.33394 5.24658 2.21407 -189.68076 575.38201
5420.0000 -194.84567 -189.49725 5.34842 2.23108 -189.37027 547.67103
5425.0000 -194.32372 -188.70330 5.62042 2.21266 -189.70649 531.95876
5430.0000 -195.59592 -189.64376 5.95216 2.24253 -189.16128 581.75710
5435.0000 -194.41350 -189.71124 4.70225 2.22198 -189.53635 578.36345
5440.0000 -196.01077 -189.41527 6.59550 2.21325 -189.69571 568.28271
5445.0000 -196.02298 -189.77269 6.25029 2.23498 -189.29909 585.82618
5450.0000 -196.56102 -190.44563 6.11539 2.23687 -189.26450 586.17602
5455.0000 -195.64721 -190.11819 5.52902 2.18354 -190.23823 554.95327
5460.0000 -196.83333 -190.91723 5.91610 2.14790 -190.88873 544.07473
5465.0000 -196.37899 -191.33598 5.04302 2.14729 -190.89984 534.44517
5470.0000 -195.44618 -189.44457 6.00161 2.19371 -190.05250 567.10501
5475.0000 -195.30800 -190.16623 5.14177 2.20641 -189.82063 546.32058
5480.0000 -194.95996 -189.28299 5.67698 2.21346 -189.69190 586.91686
5485.0000 -195.96658 -188.88857 7.07801 2.22969 -189.39563 604.42455
5490.0000 -194.76929 -189.14051 5.62878 2.24598 -189.09826 626.66166
5495.0000 -195.67636 -189.08309 6.59327 2.22849 -189.41752 620.18148
5500.0000 -195.97726 -190.22656 5.75069 2.21854 -189.59926 604.85255
FREEZING PROCESS: loop number 23 T-loop= 559.00000000000000
main_MD> interactions number 23 at Temperature= 559.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.07687 -0.08716 0.36861
force_rgl> df(natom) 2.59861 -2.10077 -0.18516
5505.0000 -196.83406 -191.30787 5.52619 2.13729 -191.08246 520.88727
5510.0000 -196.97001 -190.91854 6.05147 2.13803 -191.06895 533.59375
5515.0000 -195.77803 -190.98264 4.79539 2.12100 -191.37993 502.33702
5520.0000 -194.43057 -189.36733 5.06325 2.18321 -190.24424 533.31996
5525.0000 -195.93071 -189.93372 5.99699 2.22319 -189.51422 567.61990
5530.0000 -195.34632 -189.40878 5.93753 2.21474 -189.66854 554.52901
5535.0000 -194.69965 -188.88750 5.81215 2.24804 -189.06072 589.54671
5540.0000 -195.38283 -189.30856 6.07427 2.23774 -189.24860 584.33102
5545.0000 -195.66585 -189.59176 6.07409 2.20921 -189.76950 558.69739
5550.0000 -196.48446 -190.80584 5.67861 2.19427 -190.04234 562.38105
5555.0000 -194.20701 -188.93476 5.27225 2.20873 -189.77831 536.49103
5560.0000 -194.77067 -189.36533 5.40535 2.20999 -189.75533 554.63772
5565.0000 -195.58970 -189.21489 6.37481 2.24048 -189.19873 587.18409
5570.0000 -194.99274 -189.87760 5.11514 2.20874 -189.77802 550.29185
5575.0000 -194.41543 -189.31155 5.10388 2.23969 -189.21305 589.41381
5580.0000 -195.87042 -188.92232 6.94810 2.26503 -188.75057 602.83106
5585.0000 -195.51750 -190.06397 5.45353 2.22686 -189.44731 587.22974
5590.0000 -194.94721 -188.42965 6.51756 2.23689 -189.26418 593.27097
5595.0000 -195.47956 -189.67092 5.80864 2.22020 -189.56882 574.70303
5600.0000 -195.66998 -189.55089 6.11910 2.18645 -190.18497 568.69177
5605.0000 -195.62287 -190.85752 4.76535 2.16925 -190.49904 562.95335
5610.0000 -196.54284 -191.55685 4.98599 2.13461 -191.13144 520.19425
5615.0000 -196.81113 -191.40067 5.41046 2.11824 -191.43017 519.72451
5620.0000 -196.81119 -190.44236 6.36883 2.14720 -190.90149 558.21560
5625.0000 -197.60913 -192.06370 5.54543 2.12571 -191.29391 567.11945
5630.0000 -197.19547 -192.14643 5.04904 2.08434 -192.04918 527.04915
5635.0000 -197.36459 -191.80706 5.55753 2.06718 -192.36234 521.07400
5640.0000 -196.44204 -191.13129 5.31075 2.12165 -191.36791 538.51165
5645.0000 -196.72647 -190.83000 5.89647 2.11953 -191.40664 523.65549
5650.0000 -195.90589 -189.48309 6.42281 2.18009 -190.30121 576.15066
5655.0000 -195.03477 -189.20219 5.83258 2.26256 -188.79560 620.14027
5660.0000 -195.64701 -189.47115 6.17587 2.23980 -189.21103 603.36010
5665.0000 -195.67650 -190.03213 5.64437 2.21052 -189.74567 557.99643
5670.0000 -196.02809 -190.22919 5.79891 2.22015 -189.56977 565.96156
5675.0000 -195.76401 -190.20232 5.56169 2.20469 -189.85205 555.89105
5680.0000 -195.71752 -189.85792 5.85960 2.17574 -190.38057 525.24111
5685.0000 -196.35880 -191.27154 5.08726 2.19048 -190.11140 545.69699
5690.0000 -196.49531 -190.96459 5.53072 2.15233 -190.80795 538.85812
5695.0000 -195.37661 -189.93018 5.44643 2.16914 -190.50095 532.81865
5700.0000 -195.22123 -189.20200 6.01922 2.21106 -189.73584 575.88947
5705.0000 -196.13673 -190.31504 5.82169 2.21786 -189.61156 573.11545
5710.0000 -195.89374 -190.09125 5.80249 2.20834 -189.78534 574.12982
5715.0000 -195.59895 -189.83828 5.76067 2.20040 -189.93032 579.21062
5720.0000 -196.14554 -190.43093 5.71460 2.18327 -190.24300 569.25251
5725.0000 -195.40337 -189.36304 6.04033 2.20684 -189.81275 573.42458
5730.0000 -195.54396 -190.65935 4.88460 2.15748 -190.71387 516.75521
5735.0000 -195.89297 -189.83685 6.05612 2.16367 -190.60088 548.54726
5740.0000 -196.61463 -190.27620 6.33843 2.16243 -190.62348 535.92743
5745.0000 -196.39999 -190.75005 5.64994 2.13812 -191.06726 551.35358
5750.0000 -196.03249 -190.02996 6.00253 2.22476 -189.48560 587.29291
FREEZING PROCESS: loop number 24 T-loop= 534.00000000000000
main_MD> interactions number 24 at Temperature= 534.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.11047 -1.84623 -3.54829
force_rgl> df(natom) -1.91523 -2.62966 -0.75293
5755.0000 -197.13784 -191.75323 5.38461 2.15468 -190.76495 569.85286
5760.0000 -197.46733 -191.66648 5.80085 2.10377 -191.69445 537.20184
5765.0000 -197.49113 -191.79396 5.69718 2.10941 -191.59137 538.03119
5770.0000 -198.23198 -192.93403 5.29795 2.04534 -192.76099 487.85842
5775.0000 -196.76803 -191.71433 5.05370 2.08811 -191.98035 507.77497
5780.0000 -196.82100 -191.27032 5.55068 2.12558 -191.29625 537.24633
5785.0000 -195.39015 -190.01013 5.38003 2.14015 -191.03021 540.66857
5790.0000 -195.53378 -189.63695 5.89683 2.22728 -189.43961 605.55444
5795.0000 -195.56048 -189.22124 6.33924 2.23320 -189.33158 617.06094
5800.0000 -195.48004 -190.31328 5.16676 2.17906 -190.31994 574.57630
5805.0000 -197.26274 -192.40337 4.85937 2.11451 -191.49834 511.37733
5810.0000 -197.72957 -192.57776 5.15182 2.06069 -192.48091 480.50789
5815.0000 -196.78199 -191.18965 5.59234 2.11540 -191.48200 536.23053
5820.0000 -196.55606 -190.91620 5.63986 2.10033 -191.75716 523.48326
5825.0000 -196.04814 -190.94734 5.10080 2.13415 -191.13977 547.38810
5830.0000 -197.36789 -192.08200 5.28589 2.08675 -192.00517 500.36629
5835.0000 -196.94128 -191.81365 5.12763 2.08654 -192.00888 490.00676
5840.0000 -196.36992 -190.77921 5.59071 2.17022 -190.48137 562.71451
5845.0000 -196.53986 -191.61669 4.92317 2.10977 -191.58484 495.64198
5850.0000 -196.09111 -190.84686 5.24425 2.13390 -191.14438 528.18607
5855.0000 -196.19798 -190.06724 6.13074 2.16519 -190.57309 562.17511
5860.0000 -196.19212 -191.52920 4.66292 2.16217 -190.62834 552.95291
5865.0000 -196.55826 -191.03552 5.52274 2.13595 -191.10696 542.54859
5870.0000 -195.87356 -191.24911 4.62445 2.11175 -191.54877 515.92003
5875.0000 -197.60559 -192.78339 4.82220 2.06074 -192.47985 480.91813
5880.0000 -196.39215 -191.23180 5.16035 2.08737 -191.99371 523.45199
5885.0000 -195.99867 -190.69892 5.29975 2.12986 -191.21807 547.33732
5890.0000 -195.51611 -190.59750 4.91861 2.15887 -190.68850 547.16872
5895.0000 -196.17996 -191.04490 5.13505 2.16734 -190.53384 546.35717
5900.0000 -196.14569 -190.63769 5.50799 2.14730 -190.89966 523.74451
5905.0000 -195.65117 -190.14046 5.51071 2.14009 -191.03138 537.14171
5910.0000 -195.71270 -191.20479 4.50791 2.19118 -190.09873 577.95515
5915.0000 -197.67804 -192.22217 5.45586 2.10084 -191.74785 528.76795
5920.0000 -197.85547 -192.98320 4.87227 2.04971 -192.68123 509.15326
5925.0000 -197.30778 -191.73701 5.57076 2.05677 -192.55246 509.95398
5930.0000 -197.54593 -192.65081 4.89512 2.09215 -191.90654 540.51149
5935.0000 -197.73512 -191.96179 5.77333 2.06932 -192.32328 496.18011
5940.0000 -197.32426 -191.67392 5.65034 2.06909 -192.32751 494.53508
5945.0000 -197.05488 -191.56789 5.48700 2.11253 -191.53438 520.88376
5950.0000 -196.00849 -190.82011 5.18838 2.12918 -191.23043 529.97001
5955.0000 -197.57794 -192.44240 5.13553 2.10332 -191.70258 505.13640
5960.0000 -197.12758 -191.84237 5.28521 2.07567 -192.20732 513.34853
5965.0000 -197.53703 -191.83412 5.70291 2.11826 -191.42988 528.97886
5970.0000 -196.04811 -190.30812 5.73999 2.11865 -191.42280 529.74993
5975.0000 -196.90296 -190.43816 6.46480 2.17517 -190.39100 559.71862
5980.0000 -194.95318 -189.65078 5.30240 2.21035 -189.74866 572.85725
5985.0000 -196.28759 -190.46557 5.82202 2.18194 -190.26733 561.61391
5990.0000 -196.26498 -191.62138 4.64360 2.15056 -190.84016 520.08451
5995.0000 -195.52729 -191.36570 4.16159 2.11143 -191.55460 484.53844
6000.0000 -196.75744 -191.33763 5.41981 2.16078 -190.65370 545.94549
FREEZING PROCESS: loop number 25 T-loop= 509.00000000000000
main_MD> interactions number 25 at Temperature= 509.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.28698 1.45926 0.12016
force_rgl> df(natom) -5.72473 0.19848 0.23272
6005.0000 -196.85765 -192.03602 4.82164 2.09472 -191.85954 505.97560
6010.0000 -195.62408 -190.53966 5.08443 2.11986 -191.40063 526.51099
6015.0000 -195.38334 -190.58720 4.79614 2.19130 -190.09646 561.77339
6020.0000 -197.38010 -191.93183 5.44827 2.12848 -191.24331 517.17623
6025.0000 -196.97984 -192.41438 4.56546 2.07985 -192.13115 480.09530
6030.0000 -196.26025 -190.63136 5.62888 2.13732 -191.08189 519.84743
6035.0000 -196.58196 -191.77371 4.80826 2.15037 -190.84362 527.27274
6040.0000 -196.59604 -191.29760 5.29844 2.12824 -191.24763 525.70046
6045.0000 -196.47445 -191.09763 5.37682 2.13044 -191.20757 527.15262
6050.0000 -195.89011 -190.67630 5.21380 2.14966 -190.85660 535.91893
6055.0000 -197.53879 -192.02918 5.50961 2.12630 -191.28303 506.49804
6060.0000 -196.64150 -191.48283 5.15867 2.10773 -191.62219 492.79251
6065.0000 -197.08340 -191.12371 5.95969 2.10647 -191.64515 506.88119
6070.0000 -197.02964 -192.28302 4.74661 2.08142 -192.10234 491.88872
6075.0000 -196.99459 -192.37131 4.62328 2.09431 -191.86715 499.00342
6080.0000 -196.52164 -190.57008 5.95157 2.12568 -191.29447 510.96292
6085.0000 -196.38879 -190.94855 5.44024 2.15387 -190.77975 547.67802
6090.0000 -196.78567 -191.27835 5.50732 2.09448 -191.86390 525.58451
6095.0000 -197.42460 -192.14589 5.27871 2.10540 -191.66462 541.44252
6100.0000 -197.28602 -191.42760 5.85842 2.06931 -192.32348 518.22403
6105.0000 -197.46005 -191.95525 5.50481 2.10513 -191.66962 541.50598
6110.0000 -197.40103 -192.19688 5.20415 2.07886 -192.14906 492.30531
6115.0000 -197.44954 -192.32690 5.12264 2.05018 -192.67267 490.67124
6120.0000 -196.96814 -191.88141 5.08673 2.07554 -192.20975 508.88248
6125.0000 -197.11573 -191.44733 5.66840 2.09979 -191.76701 531.94007
6130.0000 -197.55117 -192.36895 5.18222 2.09686 -191.82052 531.17786
6135.0000 -197.67244 -193.35446 4.31798 2.06009 -192.49177 489.70649
6140.0000 -197.70818 -192.27303 5.43515 2.08439 -192.04810 511.42646
6145.0000 -197.06921 -191.99496 5.07425 2.08453 -192.04556 512.93480
6150.0000 -196.83559 -192.04085 4.79474 2.07865 -192.15306 516.18619
6155.0000 -197.48006 -192.22170 5.25836 2.07006 -192.30981 500.04184
6160.0000 -198.32269 -192.88898 5.43371 2.05905 -192.51087 489.66775
6165.0000 -197.11953 -192.21208 4.90745 2.05685 -192.55091 499.70895
6170.0000 -197.27074 -192.33782 4.93292 2.06953 -192.31951 479.46139
6175.0000 -197.20458 -191.32688 5.87770 2.09961 -191.77024 499.22220
6180.0000 -195.07707 -189.56749 5.50958 2.12695 -191.27124 512.04985
6185.0000 -195.70704 -190.19194 5.51511 2.22184 -189.53887 592.25253
6190.0000 -196.71166 -191.57806 5.13360 2.16051 -190.65864 548.76244
6195.0000 -196.85788 -192.76374 4.09415 2.05983 -192.49653 479.62873
6200.0000 -197.63509 -192.52723 5.10786 2.08544 -192.02895 511.25648
6205.0000 -197.52781 -191.33042 6.19739 2.09540 -191.84723 519.33352
6210.0000 -197.82535 -191.99538 5.82997 2.09386 -191.87530 518.38594
6215.0000 -197.76920 -192.93397 4.83523 2.06785 -192.35017 492.45612
6220.0000 -197.06017 -192.49692 4.56325 2.02516 -193.12949 460.33453
6225.0000 -197.86943 -192.83621 5.03323 2.04395 -192.78643 481.53255
6230.0000 -197.01958 -191.87574 5.14385 2.06926 -192.32439 511.36179
6235.0000 -197.01248 -191.40580 5.60668 2.10961 -191.58783 531.06216
6240.0000 -196.21018 -191.50497 4.70521 2.12884 -191.23680 512.88354
6245.0000 -196.19842 -190.82031 5.37811 2.14062 -191.02171 508.34235
6250.0000 -197.51543 -192.56962 4.94582 2.10783 -191.62035 500.42151
FREEZING PROCESS: loop number 26 T-loop= 484.00000000000000
main_MD> interactions number 26 at Temperature= 484.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15843 1.74360 -0.93588
force_rgl> df(natom) -0.34784 -0.91840 -2.38856
6255.0000 -196.71147 -192.13241 4.57905 2.09398 -191.87317 499.04277
6260.0000 -196.31801 -191.15846 5.15955 2.08921 -191.96027 490.20580
6265.0000 -196.48580 -191.87474 4.61106 2.10213 -191.72442 509.51851
6270.0000 -197.06391 -191.77645 5.28746 2.09530 -191.84904 498.74592
6275.0000 -197.26763 -191.61765 5.64997 2.11982 -191.40131 523.14683
6280.0000 -198.31028 -193.23285 5.07743 2.04294 -192.80490 458.36689
6285.0000 -197.50032 -192.60612 4.89420 2.06424 -192.41609 475.02162
6290.0000 -197.94796 -192.40872 5.53925 2.05027 -192.67103 464.21998
6295.0000 -197.07709 -192.44712 4.62997 2.06907 -192.32780 490.67737
6300.0000 -197.05091 -192.26618 4.78473 2.04179 -192.82589 477.49095
6305.0000 -197.57138 -192.93756 4.63381 2.04076 -192.84467 482.60959
6310.0000 -198.48425 -193.63848 4.84577 2.01764 -193.26673 459.98464
6315.0000 -196.58160 -191.97616 4.60545 2.00854 -193.43291 457.73721
6320.0000 -197.61256 -192.43799 5.17457 2.07637 -192.19452 507.99658
6325.0000 -197.52892 -193.10778 4.42114 2.07084 -192.29554 494.81780
6330.0000 -198.57318 -193.96606 4.60712 2.01360 -193.34058 453.75999
6335.0000 -197.37602 -192.27808 5.09794 2.00683 -193.46410 448.81255
6340.0000 -197.67276 -191.97653 5.69623 2.04842 -192.70487 494.06905
6345.0000 -197.26114 -193.08184 4.17930 2.04478 -192.77136 472.03743
6350.0000 -198.20992 -193.04421 5.16571 2.02731 -193.09026 458.80001
6355.0000 -197.06534 -192.76129 4.30405 2.04049 -192.84957 467.42035
6360.0000 -197.87056 -192.79622 5.07434 2.04696 -192.73150 473.06060
6365.0000 -198.10821 -192.95327 5.15494 2.04662 -192.73762 482.83014
6370.0000 -198.05659 -193.01416 5.04243 1.99717 -193.64037 459.73560
6375.0000 -197.87989 -192.44357 5.43631 2.03635 -192.92524 499.23520
6380.0000 -198.68232 -193.53274 5.14958 2.02780 -193.08121 519.34645
6385.0000 -198.85149 -194.37454 4.47696 1.98720 -193.82252 478.38103
6390.0000 -198.67492 -194.41425 4.26067 1.96819 -194.16949 461.37157
6395.0000 -198.82034 -193.97835 4.84200 1.94726 -194.55155 445.87419
6400.0000 -198.54536 -193.91580 4.62956 1.99066 -193.75920 480.53215
6405.0000 -198.24179 -193.23655 5.00525 1.98287 -193.90143 474.65466
6410.0000 -198.83319 -194.33016 4.50303 1.95931 -194.33160 461.94797
6415.0000 -198.54663 -194.55722 3.98941 1.94742 -194.54862 448.80566
6420.0000 -198.94402 -193.79724 5.14678 1.94973 -194.50656 454.51707
6425.0000 -199.30708 -194.02033 5.28675 2.00088 -193.57264 491.73216
6430.0000 -198.15195 -193.27769 4.87427 2.02122 -193.20133 488.12946
6435.0000 -198.86431 -193.92960 4.93471 2.00756 -193.45081 488.40613
6440.0000 -198.66979 -193.87918 4.79061 1.98157 -193.92529 476.79567
6445.0000 -197.92862 -193.20943 4.71920 1.99920 -193.60329 488.73682
6450.0000 -198.22187 -193.23319 4.98868 2.02515 -193.12968 503.75890
6455.0000 -197.44672 -192.22834 5.21837 2.04422 -192.78156 523.85266
6460.0000 -197.27068 -191.24815 6.02253 2.09940 -191.77417 559.91141
6465.0000 -198.17110 -192.45027 5.72083 2.11467 -191.49545 560.55672
6470.0000 -197.78214 -192.32442 5.45771 2.06827 -192.34247 541.82981
6475.0000 -198.63988 -193.40915 5.23073 2.04528 -192.76210 538.31641
6480.0000 -199.29868 -193.74356 5.55513 1.99938 -193.60016 503.59806
6485.0000 -199.15098 -194.23261 4.91837 1.97567 -194.03285 487.11586
6490.0000 -198.92511 -194.39626 4.52885 1.94563 -194.58136 463.98538
6495.0000 -199.65018 -194.70984 4.94034 1.92638 -194.93272 447.08682
6500.0000 -199.91178 -194.84025 5.07152 1.94565 -194.58092 460.38310
FREEZING PROCESS: loop number 27 T-loop= 459.00000000000000
main_MD> interactions number 27 at Temperature= 459.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12201 2.52196 -0.46415
force_rgl> df(natom) -0.03704 -0.71166 0.33644
6505.0000 -199.85380 -195.00350 4.85030 1.91382 -195.16209 436.23318
6510.0000 -199.84759 -194.63309 5.21450 1.91509 -195.13891 436.02142
6515.0000 -198.63829 -194.55701 4.08128 1.94743 -194.54851 462.10155
6520.0000 -199.21629 -194.64429 4.57200 1.96346 -194.25575 474.37867
6525.0000 -199.83982 -194.82036 5.01946 1.95418 -194.42524 464.67299
6530.0000 -198.74857 -193.63437 5.11420 1.95147 -194.47475 462.65257
6535.0000 -199.20756 -193.52689 5.68067 1.99611 -193.65977 495.93460
6540.0000 -198.49166 -193.61188 4.87979 1.99493 -193.68132 494.99890
6545.0000 -198.46251 -193.94027 4.52224 1.97336 -194.07517 480.53807
6550.0000 -199.59166 -194.69051 4.90115 1.95607 -194.39083 468.83483
6555.0000 -198.39565 -193.88075 4.51490 1.94814 -194.53555 460.84165
6560.0000 -198.47696 -193.41116 5.06580 2.00232 -193.54647 501.63691
6565.0000 -198.58299 -194.23623 4.34676 1.98761 -193.81505 488.38361
6570.0000 -199.24495 -194.39796 4.84699 1.94500 -194.59280 459.24727
6575.0000 -199.34296 -194.21624 5.12673 1.96009 -194.31744 470.23997
6580.0000 -198.97828 -193.54959 5.42869 1.97265 -194.08799 481.76378
6585.0000 -199.49636 -194.50661 4.98975 1.98377 -193.88513 489.72938
6590.0000 -199.30444 -194.58362 4.72082 1.95216 -194.46221 461.37838
6595.0000 -198.82773 -194.45580 4.37193 1.95465 -194.41666 466.31930
6600.0000 -199.80358 -194.91515 4.88843 1.91067 -195.21955 430.50983
6605.0000 -199.13813 -194.31635 4.82178 1.94171 -194.65283 454.79180
6610.0000 -198.58379 -194.35079 4.23300 1.95208 -194.46354 461.24014
6615.0000 -199.16064 -194.03147 5.12918 1.98185 -193.92020 492.97387
6620.0000 -199.81907 -195.82339 3.99568 1.90974 -195.23647 432.90565
6625.0000 -200.11775 -195.44083 4.67692 1.87638 -195.84551 403.30535
6630.0000 -199.70350 -195.38279 4.32071 1.90144 -195.38807 422.65084
6635.0000 -199.84919 -195.15004 4.69915 1.89742 -195.46141 420.98823
6640.0000 -199.48096 -195.39827 4.08269 1.90173 -195.38267 423.78926
6645.0000 -199.75759 -194.64794 5.10965 1.93781 -194.72407 454.16975
6650.0000 -199.84845 -195.13767 4.71078 1.91734 -195.09779 436.64107
6655.0000 -199.32654 -195.15161 4.17493 1.93608 -194.75564 446.21351
6660.0000 -199.66268 -195.13598 4.52670 1.93431 -194.78795 441.77117
6665.0000 -199.23764 -194.57787 4.65977 1.90486 -195.32556 422.19047
6670.0000 -199.96670 -194.93428 5.03241 1.92477 -194.96214 440.59934
6675.0000 -198.54783 -194.91496 3.63287 1.92841 -194.89563 445.30773
6680.0000 -198.79056 -194.12097 4.66959 1.94638 -194.56759 461.80658
6685.0000 -200.25170 -195.12159 5.13011 1.93005 -194.86584 444.89126
6690.0000 -199.21820 -194.34670 4.87150 1.94015 -194.68146 454.14430
6695.0000 -198.65392 -194.76597 3.88795 1.94705 -194.55535 463.06095
6700.0000 -199.19727 -194.41757 4.77970 1.94574 -194.57940 459.43172
6705.0000 -198.40478 -194.25007 4.15471 1.95466 -194.41655 461.29500
6710.0000 -198.37008 -193.78091 4.58917 1.98536 -193.85608 495.57502
6715.0000 -199.03315 -193.91840 5.11475 1.97178 -194.10391 481.15271
6720.0000 -198.94735 -194.25122 4.69613 1.97824 -193.98598 488.16406
6725.0000 -199.57367 -195.23868 4.33499 1.92715 -194.91868 441.36307
6730.0000 -199.48028 -194.50920 4.97108 1.93408 -194.79211 450.58779
6735.0000 -199.97537 -195.43847 4.53690 1.92788 -194.90535 444.67053
6740.0000 -199.21188 -194.62815 4.58373 1.92309 -194.99274 442.25526
6745.0000 -199.81534 -194.82823 4.98711 1.91685 -195.10679 438.13347
6750.0000 -198.99667 -193.45655 5.54012 1.94652 -194.56506 463.78294
FREEZING PROCESS: loop number 28 T-loop= 434.00000000000000
main_MD> interactions number 28 at Temperature= 434.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23558 -1.17710 -1.63654
force_rgl> df(natom) 1.77160 2.28720 1.65907
6755.0000 -199.30174 -194.65762 4.64411 1.97175 -194.10457 462.29956
6760.0000 -199.29243 -195.36205 3.93037 1.95727 -194.36877 458.65991
6765.0000 -199.82288 -194.90129 4.92159 1.90343 -195.35166 426.52045
6770.0000 -199.88400 -194.99332 4.89068 1.92455 -194.96621 441.37695
6775.0000 -199.69676 -195.07269 4.62408 1.91501 -195.14026 436.33048
6780.0000 -199.94192 -195.05710 4.88482 1.93060 -194.85572 448.44923
6785.0000 -199.78711 -195.22237 4.56473 1.92736 -194.91478 445.73537
6790.0000 -200.33234 -195.65737 4.67497 1.90654 -195.29496 427.28133
6795.0000 -199.41192 -194.87413 4.53778 1.90926 -195.24530 426.78568
6800.0000 -199.39721 -194.43186 4.96534 1.94486 -194.59542 457.88775
6805.0000 -198.54662 -194.51258 4.03404 1.95476 -194.41473 471.80910
6810.0000 -199.27743 -194.84206 4.43537 1.92285 -194.99725 439.01527
6815.0000 -199.73094 -195.28250 4.44844 1.90558 -195.31255 427.58818
6820.0000 -199.19048 -194.80399 4.38649 1.93640 -194.74984 450.70587
6825.0000 -199.79408 -195.87400 3.92008 1.88963 -195.60361 410.87511
6830.0000 -200.54899 -196.13425 4.41474 1.88791 -195.63506 412.08123
6835.0000 -200.05024 -195.61988 4.43036 1.88202 -195.74258 410.35266
6840.0000 -198.52156 -194.78202 3.73954 1.93391 -194.79529 450.30902
6845.0000 -199.02658 -194.89877 4.12781 1.95209 -194.46335 463.79150
6850.0000 -199.39235 -195.26643 4.12592 1.89843 -195.44305 416.87065
6855.0000 -199.78705 -195.27208 4.51497 1.91662 -195.11085 438.16911
6860.0000 -199.46789 -194.99571 4.47218 1.93460 -194.78265 447.51120
6865.0000 -198.87452 -194.78504 4.08948 1.93912 -194.70010 456.59327
6870.0000 -199.75924 -195.71797 4.04126 1.89783 -195.45399 424.82682
6875.0000 -199.90036 -195.35377 4.54659 1.88144 -195.75317 402.99397
6880.0000 -199.27456 -194.88200 4.39256 1.92742 -194.91369 446.54193
6885.0000 -199.86681 -195.38329 4.48352 1.93849 -194.71160 455.73687
6890.0000 -199.01502 -194.50552 4.50950 1.93227 -194.82517 446.28633
6895.0000 -199.73500 -195.89904 3.83596 1.88785 -195.63617 410.34775
6900.0000 -199.65287 -195.75189 3.90098 1.86947 -195.97176 399.71170
6905.0000 -199.59007 -195.20911 4.38095 1.90976 -195.23621 432.04732
6910.0000 -199.31401 -195.46386 3.85015 1.91654 -195.11245 428.65940
6915.0000 -200.22431 -196.45811 3.76620 1.86468 -196.05921 392.31930
6920.0000 -199.44640 -195.33825 4.10815 1.87717 -195.83114 403.22933
6925.0000 -199.35072 -194.75686 4.59386 1.89149 -195.56975 412.52412
6930.0000 -199.29148 -195.22650 4.06497 1.92782 -194.90655 443.82502
6935.0000 -199.78037 -194.57956 5.20081 1.93449 -194.78462 455.80877
6940.0000 -199.60731 -195.42096 4.18635 1.90883 -195.25313 434.35625
6945.0000 -199.23158 -195.03353 4.19805 1.91564 -195.12889 430.12520
6950.0000 -199.51623 -194.92152 4.59471 1.93365 -194.80003 451.53842
6955.0000 -198.96057 -194.87594 4.08463 1.91908 -195.06598 440.06209
6960.0000 -199.67598 -195.24751 4.42848 1.92071 -195.03635 440.26131
6965.0000 -199.46261 -194.97494 4.48767 1.92154 -195.02115 444.19808
6970.0000 -199.76160 -195.10211 4.65949 1.92496 -194.95870 444.95387
6975.0000 -199.81366 -194.83356 4.98010 1.90822 -195.26419 426.75630
6980.0000 -199.78355 -195.04965 4.73390 1.95125 -194.47874 466.41603
6985.0000 -199.78747 -195.69941 4.08807 1.91443 -195.15086 431.01716
6990.0000 -200.31498 -196.29541 4.01957 1.85132 -196.30311 381.15875
6995.0000 -199.31116 -195.74507 3.56609 1.87610 -195.85064 401.89730
7000.0000 -199.94271 -195.77989 4.16282 1.86984 -195.96496 400.56417
FREEZING PROCESS: loop number 29 T-loop= 409.00000000000000
main_MD> interactions number 29 at Temperature= 409.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46816 1.67307 0.28492
force_rgl> df(natom) -0.53886 -0.47901 3.37942
7005.0000 -199.18044 -195.18465 3.99580 1.87366 -195.89519 402.06332
7010.0000 -199.98844 -195.82818 4.16026 1.88728 -195.64649 412.41019
7015.0000 -200.20825 -195.19469 5.01355 1.87704 -195.83356 403.82072
7020.0000 -200.18746 -195.91256 4.27490 1.87154 -195.93394 397.03271
7025.0000 -198.98741 -195.52643 3.46099 1.89152 -195.56913 415.87015
7030.0000 -198.55430 -194.57349 3.98081 1.93745 -194.73066 460.68651
7035.0000 -200.01249 -195.70194 4.31055 1.91080 -195.21716 430.72806
7040.0000 -199.84906 -195.97538 3.87367 1.87510 -195.86882 401.03478
7045.0000 -199.80633 -195.89597 3.91036 1.86485 -196.05610 395.05166
7050.0000 -200.41027 -195.43889 4.97138 1.90186 -195.38037 426.31076
7055.0000 -199.59800 -195.50985 4.08814 1.90328 -195.35455 423.83305
7060.0000 -199.18693 -194.90266 4.28427 1.91212 -195.19313 433.50285
7065.0000 -199.79039 -195.73149 4.05891 1.89784 -195.45381 423.00647
7070.0000 -200.11534 -195.59814 4.51719 1.89540 -195.49832 416.85682
7075.0000 -199.98033 -195.38654 4.59380 1.88157 -195.75070 407.98772
7080.0000 -200.18429 -196.46548 3.71881 1.86370 -196.07698 393.68941
7085.0000 -200.35847 -195.97433 4.38414 1.84851 -196.35432 378.22550
7090.0000 -199.99507 -196.30360 3.69147 1.86493 -196.05465 393.93868
7095.0000 -200.26246 -196.32876 3.93370 1.85421 -196.25028 386.88609
7100.0000 -200.25557 -196.05784 4.19773 1.87340 -195.89992 400.53215
7105.0000 -200.24674 -195.59323 4.65351 1.88824 -195.62903 419.12983
7110.0000 -200.02361 -195.57984 4.44377 1.89092 -195.58007 416.40374
7115.0000 -200.08684 -196.30543 3.78140 1.87370 -195.89455 401.50568
7120.0000 -199.71731 -195.31399 4.40332 1.86758 -196.00622 396.16733
7125.0000 -199.64937 -195.83034 3.81903 1.87524 -195.86641 419.69055
7130.0000 -200.59905 -196.07570 4.52335 1.88148 -195.75251 422.58087
7135.0000 -200.79839 -196.82509 3.97330 1.84959 -196.33467 399.47999
7140.0000 -200.14005 -194.75628 5.38377 1.90157 -195.38574 439.65094
7145.0000 -199.56609 -195.50568 4.06042 1.92408 -194.97471 457.98343
7150.0000 -199.73444 -195.73101 4.00344 1.89136 -195.57215 431.19692
7155.0000 -199.34944 -195.25493 4.09451 1.91215 -195.19250 448.37622
7160.0000 -199.68042 -195.65898 4.02144 1.91021 -195.22786 448.51410
7165.0000 -199.57529 -195.98300 3.59229 1.87612 -195.85024 420.67184
7170.0000 -199.84497 -195.62763 4.21734 1.87682 -195.83744 418.58174
7175.0000 -199.82596 -195.79611 4.02985 1.88410 -195.70465 424.60436
7180.0000 -199.70815 -195.67500 4.03314 1.87579 -195.85631 415.81180
7185.0000 -199.35336 -195.03622 4.31715 1.90393 -195.34263 439.41657
7190.0000 -200.28465 -196.72721 3.55744 1.86829 -195.99322 408.03437
7195.0000 -200.40120 -196.82997 3.57124 1.82577 -196.76939 378.69915
7200.0000 -200.61148 -196.48577 4.12571 1.85752 -196.18985 404.23787
7205.0000 -200.00816 -196.28435 3.72381 1.83579 -196.58652 380.80845
7210.0000 -199.55889 -195.74979 3.80910 1.84331 -196.44921 393.62369
7215.0000 -199.95983 -196.08570 3.87413 1.90557 -195.31263 442.75690
7220.0000 -200.43612 -196.62007 3.81605 1.83178 -196.65965 380.49348
7225.0000 -200.55626 -195.84750 4.70877 1.86133 -196.12022 409.61708
7230.0000 -199.78079 -195.07937 4.70142 1.90338 -195.35269 438.18119
7235.0000 -200.53376 -196.44855 4.08520 1.88353 -195.71494 424.48427
7240.0000 -200.68198 -196.63132 4.05065 1.83788 -196.54829 387.33183
7245.0000 -200.07529 -196.58972 3.48556 1.82049 -196.86590 372.96812
7250.0000 -200.32478 -196.18221 4.14257 1.87607 -195.85117 418.26818
FREEZING PROCESS: loop number 30 T-loop= 384.00000000000000
main_MD> interactions number 30 at Temperature= 384.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64778 -2.63417 -0.36571
force_rgl> df(natom) -0.71451 0.76431 0.67370
7255.0000 -200.40729 -196.11998 4.28731 1.85964 -196.15117 402.23285
7260.0000 -200.40996 -196.93925 3.47071 1.83478 -196.60489 387.76221
7265.0000 -200.35204 -196.74098 3.61105 1.83362 -196.62606 383.61237
7270.0000 -200.72495 -197.04348 3.68147 1.81530 -196.96066 371.77748
7275.0000 -200.43808 -197.15890 3.27918 1.80967 -197.06335 367.43501
7280.0000 -201.21131 -197.56470 3.64661 1.81056 -197.04705 365.54091
7285.0000 -201.15490 -197.23505 3.91985 1.79878 -197.26211 356.25849
7290.0000 -199.46805 -195.33911 4.12895 1.84195 -196.47406 385.29098
7295.0000 -200.68082 -196.22087 4.45996 1.87269 -195.91297 417.81589
7300.0000 -201.05906 -197.50945 3.54960 1.82388 -196.80391 375.81733
7305.0000 -200.73341 -197.25114 3.48228 1.79993 -197.24121 356.15161
7310.0000 -200.78006 -196.49678 4.28328 1.79686 -197.29720 355.99936
7315.0000 -200.38791 -196.18388 4.20403 1.84670 -196.38742 395.28790
7320.0000 -201.41436 -197.28460 4.12976 1.81553 -196.95646 365.49326
7325.0000 -201.13755 -197.50342 3.63414 1.77705 -197.65887 339.20806
7330.0000 -201.22316 -197.49503 3.72812 1.77393 -197.71590 333.13326
7335.0000 -200.40008 -196.89732 3.50277 1.80356 -197.17497 356.46386
7340.0000 -200.88289 -196.80307 4.07983 1.80280 -197.18870 358.77950
7345.0000 -201.40346 -197.30776 4.09570 1.83313 -196.63504 383.58606
7350.0000 -201.36346 -197.45548 3.90797 1.76277 -197.91962 324.84823
7355.0000 -200.69326 -197.08486 3.60840 1.82664 -196.75358 377.14609
7360.0000 -199.72227 -196.35772 3.36455 1.80317 -197.18204 358.99886
7365.0000 -199.98119 -196.07283 3.90836 1.87304 -195.90649 417.03584
7370.0000 -200.47390 -196.55298 3.92092 1.83956 -196.51772 388.87179
7375.0000 -200.75210 -196.71272 4.03938 1.84062 -196.49840 389.77085
7380.0000 -200.71623 -197.03265 3.68358 1.81200 -197.02085 367.10664
7385.0000 -200.71554 -197.09679 3.61875 1.80835 -197.08751 361.69310
7390.0000 -200.90611 -196.28778 4.61833 1.82077 -196.86066 374.05053
7395.0000 -199.94712 -196.31076 3.63636 1.85989 -196.14659 408.65236
7400.0000 -200.86482 -197.02729 3.83753 1.82786 -196.73124 382.69475
7405.0000 -200.80831 -197.22231 3.58599 1.81835 -196.90485 374.20515
7410.0000 -200.29957 -196.66763 3.63194 1.81675 -196.93409 373.87530
7415.0000 -200.81549 -196.97021 3.84528 1.81833 -196.90528 372.53401
7420.0000 -200.41397 -196.99906 3.41491 1.80599 -197.13061 359.93985
7425.0000 -200.50181 -196.58393 3.91788 1.85290 -196.27415 398.73342
7430.0000 -199.67709 -195.73137 3.94571 1.85900 -196.16290 402.41353
7435.0000 -200.56339 -196.82817 3.73522 1.85989 -196.14655 405.81029
7440.0000 -200.76074 -197.23800 3.52274 1.82010 -196.87298 370.96252
7445.0000 -200.07837 -196.54411 3.53426 1.82649 -196.75631 376.19611
7450.0000 -200.52106 -196.82182 3.69924 1.83106 -196.67288 380.94058
7455.0000 -199.83285 -196.03627 3.79658 1.85463 -196.24264 397.71113
7460.0000 -199.54403 -195.77038 3.77365 1.87336 -195.90073 418.82373
7465.0000 -200.47829 -196.44920 4.02909 1.86583 -196.03809 407.53054
7470.0000 -200.47186 -196.61513 3.85674 1.84827 -196.35866 392.93085
7475.0000 -200.48843 -195.82149 4.66694 1.85085 -196.31152 396.48022
7480.0000 -200.15695 -196.37396 3.78299 1.86646 -196.02668 410.98314
7485.0000 -200.56815 -196.65178 3.91637 1.85786 -196.18365 405.93344
7490.0000 -200.75957 -196.53327 4.22629 1.84395 -196.43749 391.80400
7495.0000 -200.56598 -196.93085 3.63513 1.83117 -196.67091 380.75419
7500.0000 -200.64456 -197.11264 3.53193 1.80777 -197.09811 361.56777
FREEZING PROCESS: loop number 31 T-loop= 359.00000000000000
main_MD> interactions number 31 at Temperature= 359.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01283 0.58571 -1.15525
force_rgl> df(natom) -1.27476 -1.50627 -0.95235
7505.0000 -200.84046 -197.74840 3.09206 1.79629 -197.30760 353.09178
7510.0000 -200.73734 -197.30675 3.43059 1.79213 -197.38349 353.51857
7515.0000 -200.69329 -196.81729 3.87600 1.80478 -197.15273 362.93287
7520.0000 -200.47462 -196.71318 3.76144 1.81605 -196.94698 367.37723
7525.0000 -199.79055 -196.08566 3.70489 1.83871 -196.53315 386.06666
7530.0000 -200.28403 -197.08705 3.19698 1.81477 -196.97031 370.47159
7535.0000 -200.67776 -197.60483 3.07294 1.79922 -197.25413 354.58697
7540.0000 -200.57843 -196.99677 3.58165 1.80657 -197.12002 360.04782
7545.0000 -201.40534 -197.42632 3.97902 1.79207 -197.38466 350.16453
7550.0000 -201.21448 -198.04911 3.16537 1.76134 -197.94562 323.18225
7555.0000 -199.87882 -196.38808 3.49074 1.79817 -197.27325 357.56106
7560.0000 -200.37065 -197.06179 3.30885 1.80739 -197.10498 365.42308
7565.0000 -200.79756 -196.26782 4.52974 1.84225 -196.46865 390.49143
7570.0000 -201.08195 -196.99615 4.08579 1.82613 -196.76295 378.15813
7575.0000 -200.58538 -197.32370 3.26167 1.80570 -197.13590 359.27856
7580.0000 -200.51682 -197.15637 3.36046 1.83179 -196.65946 378.62417
7585.0000 -201.06108 -197.11282 3.94826 1.81836 -196.90468 371.29415
7590.0000 -200.88337 -197.22408 3.65929 1.81151 -197.02971 364.44861
7595.0000 -201.19548 -197.80707 3.38841 1.78087 -197.58913 339.85882
7600.0000 -200.71068 -196.71624 3.99444 1.80600 -197.13042 357.87484
7605.0000 -200.08025 -196.84428 3.23597 1.82625 -196.76072 376.97248
7610.0000 -200.56167 -196.53770 4.02397 1.84696 -196.38261 396.89465
7615.0000 -200.17057 -196.92800 3.24257 1.84645 -196.39188 398.61507
7620.0000 -201.37234 -197.55789 3.81444 1.81049 -197.04846 365.37442
7625.0000 -200.66683 -196.59863 4.06819 1.83304 -196.63680 388.36982
7630.0000 -201.19058 -197.75570 3.43488 1.82308 -196.81856 374.95966
7635.0000 -200.78692 -197.41557 3.37134 1.78131 -197.58101 340.24451
7640.0000 -201.35805 -197.38483 3.97322 1.78436 -197.52538 342.88336
7645.0000 -200.52933 -196.90837 3.62096 1.83369 -196.62487 383.72498
7650.0000 -200.76405 -196.84297 3.92108 1.79963 -197.24674 355.84341
7655.0000 -200.52585 -197.05433 3.47152 1.80426 -197.16221 359.66784
7660.0000 -200.77156 -197.62820 3.14336 1.77924 -197.61889 338.86657
7665.0000 -201.23653 -197.44753 3.78901 1.78733 -197.47129 347.02289
7670.0000 -201.08224 -197.86813 3.21410 1.78725 -197.47257 345.06436
7675.0000 -200.70609 -197.14681 3.55928 1.80836 -197.08736 367.68054
7680.0000 -200.87508 -197.15831 3.71677 1.79761 -197.28344 353.55537
7685.0000 -200.93737 -197.77024 3.16713 1.78452 -197.52245 343.10217
7690.0000 -201.22719 -197.66899 3.55820 1.78886 -197.44320 348.45848
7695.0000 -200.61200 -196.88271 3.72929 1.81415 -196.98156 368.66529
7700.0000 -200.94566 -197.27072 3.67494 1.81948 -196.88431 371.17778
7705.0000 -200.77741 -197.37024 3.40717 1.78746 -197.46891 346.18428
7710.0000 -200.48294 -196.72925 3.75369 1.80359 -197.17431 361.71537
7715.0000 -200.59215 -196.86973 3.72242 1.80874 -197.08041 363.70893
7720.0000 -200.48748 -196.67809 3.80938 1.81700 -196.92962 369.82549
7725.0000 -200.88338 -197.39042 3.49296 1.79740 -197.28736 354.36718
7730.0000 -201.15129 -197.50010 3.65119 1.80044 -197.23195 356.63283
7735.0000 -201.06224 -197.47742 3.58482 1.80819 -197.09045 361.61795
7740.0000 -201.28765 -197.81002 3.47764 1.76679 -197.84614 328.15671
7745.0000 -200.47194 -196.71903 3.75292 1.79551 -197.32184 351.29802
7750.0000 -201.12109 -197.34339 3.77770 1.79112 -197.40194 349.08271
FREEZING PROCESS: loop number 32 T-loop= 334.00000000000000
main_MD> interactions number 32 at Temperature= 334.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84790 -1.51540 -0.36494
force_rgl> df(natom) 0.47570 -1.98291 1.22594
7755.0000 -201.10223 -197.30709 3.79514 1.78590 -197.49734 341.18651
7760.0000 -201.25911 -197.72966 3.52944 1.77880 -197.62700 336.47520
7765.0000 -200.91487 -197.52182 3.39305 1.78418 -197.52869 341.23970
7770.0000 -200.77664 -197.12866 3.64798 1.77759 -197.64907 336.85468
7775.0000 -201.07442 -197.23789 3.83653 1.79257 -197.37560 350.41408
7780.0000 -201.17618 -197.84456 3.33162 1.78860 -197.44803 346.51421
7785.0000 -201.07393 -197.45090 3.62302 1.76940 -197.79857 327.62149
7790.0000 -201.07192 -197.58177 3.49015 1.80666 -197.11832 359.62761
7795.0000 -201.20423 -197.81746 3.38676 1.78400 -197.53200 342.70750
7800.0000 -201.22938 -198.43187 2.79752 1.75010 -198.15092 315.44382
7805.0000 -200.99383 -197.53401 3.45981 1.76245 -197.92532 323.81731
7810.0000 -200.68955 -197.15196 3.53759 1.78147 -197.57809 339.44601
7815.0000 -200.57585 -197.42004 3.15581 1.79905 -197.25728 356.21851
7820.0000 -201.05681 -198.36013 2.69668 1.78222 -197.56454 341.08201
7825.0000 -200.90479 -197.72817 3.17662 1.74502 -198.24359 309.62540
7830.0000 -200.56851 -197.34146 3.22705 1.78715 -197.47447 346.49522
7835.0000 -200.78593 -197.36618 3.41975 1.79752 -197.28526 354.18935
7840.0000 -201.13418 -197.34105 3.79313 1.79347 -197.35906 350.01926
7845.0000 -201.30795 -197.66242 3.64553 1.77578 -197.68202 335.35486
7850.0000 -200.98234 -197.61667 3.36567 1.80072 -197.22679 356.65218
7855.0000 -201.68816 -198.08976 3.59840 1.77794 -197.64268 338.67782
7860.0000 -201.27056 -198.37114 2.89942 1.76363 -197.90384 326.95329
7865.0000 -201.70209 -198.16729 3.53480 1.75633 -198.03714 318.23197
7870.0000 -201.15062 -197.44215 3.70847 1.75324 -198.09351 317.94261
7875.0000 -200.58462 -197.17523 3.40939 1.80437 -197.16009 359.87038
7880.0000 -200.90213 -197.25500 3.64712 1.79723 -197.29043 352.82168
7885.0000 -201.22527 -198.08275 3.14251 1.77587 -197.68046 340.32639
7890.0000 -201.52958 -198.44002 3.08956 1.73178 -198.48526 298.81940
7895.0000 -200.82520 -197.59407 3.23113 1.76952 -197.79641 331.65975
7900.0000 -200.34838 -196.71955 3.62883 1.80552 -197.13905 358.82012
7905.0000 -201.22056 -197.90472 3.31584 1.80612 -197.12813 361.72276
7910.0000 -201.27612 -197.90302 3.37311 1.78058 -197.59444 338.98844
7915.0000 -201.57240 -197.66679 3.90561 1.76973 -197.79241 333.84161
7920.0000 -200.58004 -196.62459 3.95546 1.81602 -196.94750 369.52543
7925.0000 -200.62848 -197.00485 3.62363 1.81159 -197.02838 364.84408
7930.0000 -200.53680 -197.18699 3.34982 1.81630 -196.94234 371.14386
7935.0000 -200.97578 -197.70478 3.27100 1.79456 -197.33914 348.25971
7940.0000 -200.59799 -197.47730 3.12069 1.77719 -197.65625 337.27559
7945.0000 -200.81754 -197.34037 3.47717 1.78952 -197.43116 348.10550
7950.0000 -201.08585 -197.55746 3.52839 1.78483 -197.51677 346.71152
7955.0000 -200.98465 -197.13172 3.85294 1.79086 -197.40671 351.16767
7960.0000 -201.04098 -197.86217 3.17881 1.78069 -197.59249 338.15899
7965.0000 -201.22952 -197.74850 3.48101 1.75306 -198.09675 315.56805
7970.0000 -200.77844 -197.50907 3.26938 1.76414 -197.89459 324.61072
7975.0000 -201.36654 -198.27395 3.09259 1.75359 -198.08707 314.90513
7980.0000 -201.70069 -198.46172 3.23897 1.75002 -198.15233 312.73549
7985.0000 -200.98919 -197.80838 3.18081 1.75805 -198.00571 320.30440
7990.0000 -200.99535 -197.84217 3.15318 1.75776 -198.01103 320.00444
7995.0000 -201.25982 -198.30677 2.95305 1.76449 -197.88808 326.37689
8000.0000 -200.92005 -197.39226 3.52779 1.75852 -197.99722 319.95715
FREEZING PROCESS: loop number 33 T-loop= 309.00000000000000
main_MD> interactions number 33 at Temperature= 309.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17273 0.99777 0.65829
force_rgl> df(natom) -0.21342 2.16065 0.63193
8005.0000 -201.74920 -198.16233 3.58687 1.76260 -197.92260 327.53645
8010.0000 -201.29153 -198.72007 2.57146 1.73588 -198.41044 301.14110
8015.0000 -201.37812 -198.47835 2.89977 1.72127 -198.67708 287.37539
8020.0000 -201.33026 -198.15166 3.17860 1.73861 -198.36065 302.70439
8025.0000 -201.47254 -198.01612 3.45642 1.76185 -197.93630 322.91855
8030.0000 -201.25881 -198.04326 3.21555 1.75892 -197.98983 323.02446
8035.0000 -200.91662 -197.48234 3.43428 1.77311 -197.73081 337.87936
8040.0000 -201.17940 -198.11454 3.06486 1.77358 -197.72225 336.90533
8045.0000 -200.37271 -197.35226 3.02045 1.77981 -197.60841 338.50676
8050.0000 -200.93583 -197.84497 3.09086 1.80298 -197.18549 359.91912
8055.0000 -201.29095 -198.07429 3.21667 1.75624 -198.03879 321.10888
8060.0000 -201.45540 -198.42378 3.03161 1.75115 -198.13170 314.78328
8065.0000 -201.16229 -198.18757 2.97472 1.73796 -198.37247 302.47644
8070.0000 -201.37309 -198.69293 2.68016 1.74804 -198.18843 311.28182
8075.0000 -201.56872 -198.95186 2.61687 1.73042 -198.51018 298.33503
8080.0000 -201.84811 -198.51849 3.32962 1.71544 -198.78358 284.16803
8085.0000 -201.66876 -198.91194 2.75682 1.71905 -198.71766 286.49114
8090.0000 -201.55520 -198.76117 2.79403 1.71158 -198.85399 280.33745
8095.0000 -201.62316 -198.34907 3.27409 1.72921 -198.53228 298.27559
8100.0000 -201.35832 -198.01941 3.33892 1.74985 -198.15533 314.58521
8105.0000 -201.74173 -198.04169 3.70004 1.75291 -198.09957 315.05609
8110.0000 -201.42510 -197.51385 3.91125 1.77488 -197.69857 335.01911
8115.0000 -201.10894 -197.98857 3.12037 1.74626 -198.22095 311.63914
8120.0000 -201.14368 -198.03862 3.10506 1.74658 -198.21520 310.35043
8125.0000 -201.38207 -197.94969 3.43238 1.74644 -198.21775 311.93707
8130.0000 -201.18447 -198.50217 2.68230 1.73570 -198.41370 301.41075
8135.0000 -201.20687 -197.76192 3.44495 1.74266 -198.28659 305.82196
8140.0000 -201.32075 -197.93345 3.38730 1.77061 -197.77643 329.81190
8145.0000 -201.43651 -198.20237 3.23414 1.75780 -198.01030 321.06905
8150.0000 -201.69839 -198.90094 2.79745 1.71156 -198.85443 281.48766
8155.0000 -201.75839 -198.83492 2.92347 1.71696 -198.75584 285.55940
8160.0000 -201.34934 -198.58666 2.76268 1.72644 -198.58276 295.15039
8165.0000 -201.87014 -198.97407 2.89608 1.73379 -198.44861 298.94820
8170.0000 -202.09004 -198.81815 3.27189 1.69401 -199.17483 264.51244
8175.0000 -201.72603 -199.11087 2.61516 1.71557 -198.78124 283.21010
8180.0000 -201.39745 -197.85098 3.54647 1.70362 -198.99937 275.20674
8185.0000 -201.05426 -198.00090 3.05336 1.76770 -197.82956 328.74193
8190.0000 -201.51445 -198.46049 3.05396 1.74704 -198.20678 310.69471
8195.0000 -201.61894 -198.17193 3.44701 1.73462 -198.43339 298.28683
8200.0000 -200.93067 -197.97496 2.95571 1.77641 -197.67060 334.94317
8205.0000 -202.07443 -198.68261 3.39182 1.75355 -198.08779 320.17973
8210.0000 -201.27849 -198.17183 3.10666 1.73820 -198.36802 303.53566
8215.0000 -201.25954 -198.37187 2.88767 1.74882 -198.17430 312.17965
8220.0000 -201.85978 -198.74000 3.11978 1.73477 -198.43067 303.98062
8225.0000 -201.53540 -198.58664 2.94877 1.71996 -198.70110 286.48362
8230.0000 -201.42706 -198.43921 2.98785 1.72513 -198.60669 291.22105
8235.0000 -201.78031 -198.62405 3.15627 1.72926 -198.53133 299.98019
8240.0000 -201.67112 -198.53957 3.13155 1.72586 -198.59337 294.70822
8245.0000 -201.63351 -198.93389 2.69962 1.73661 -198.39712 300.98117
8250.0000 -201.72508 -199.06602 2.65906 1.72540 -198.60168 292.43937
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 10.9257236 [s].
main_MD> Deallocating global variables
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