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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_29/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_29.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 = 29 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: 29 2900
main_MD> Size of nv and nvoiz: 29 2900
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 = 29
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> 8.4875685086083813E-002 -8.6971581684006163E-002 -0.24789115276019952 initial drift of cluster / NP1 for coalescence
init> 0.42030384028507051 0.34642405065576937 0.23494992043163335 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6250586627868528E-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) -0.79393 -1.96181 -6.37168
force_rgl> df(natom) 2.27192 2.15252 0.03864
preparo> THERMALIZATION PROCESS AT 1145.5093836699029
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -61.955921921332809 3.4151906291965539 -65.371112550529361 5.5848835121548313E-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= 1115.0000000000000
main_MD> interactions number 1 at Temperature= 1115.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.31880 0.39508 -3.04958
force_rgl> df(natom) 1.04101 -0.57815 -1.24788
5.0000 -65.04634 -61.80814 3.23820 2.52330 -61.73225 1063.09883
10.0000 -65.36651 -60.20581 5.16070 2.61650 -60.85255 1168.76135
15.0000 -66.17789 -61.87894 4.29894 2.60356 -60.97462 1140.98293
20.0000 -65.26450 -61.16182 4.10268 2.55315 -61.45049 1099.51867
25.0000 -65.65423 -60.12394 5.53029 2.64989 -60.53730 1175.40131
30.0000 -64.60276 -60.41055 4.19220 2.61695 -60.84824 1201.41125
35.0000 -65.66681 -61.72323 3.94358 2.64102 -60.62106 1185.99857
40.0000 -65.95504 -62.30793 3.64711 2.52875 -61.68081 1082.21302
45.0000 -65.07018 -61.26898 3.80120 2.56488 -61.33972 1090.92818
50.0000 -66.31047 -62.30861 4.00186 2.49737 -61.97704 1062.55975
55.0000 -66.22641 -62.65096 3.57545 2.55906 -61.39466 1153.96976
60.0000 -66.03828 -61.69183 4.34645 2.48794 -62.06597 1083.92587
65.0000 -64.94586 -61.28801 3.65785 2.48341 -62.10878 1077.80480
70.0000 -63.90834 -58.93732 4.97102 2.70469 -60.02011 1201.87811
75.0000 -63.43136 -58.90424 4.52713 2.79602 -59.15802 1339.79283
80.0000 -65.94067 -61.74718 4.19349 2.66492 -60.39550 1218.89539
85.0000 -66.46601 -61.29734 5.16867 2.57299 -61.26319 1133.40834
90.0000 -65.37150 -60.33522 5.03628 2.60102 -60.99868 1162.51617
95.0000 -64.72528 -60.98179 3.74349 2.63016 -60.72357 1119.76797
100.0000 -66.08440 -61.79251 4.29189 2.54911 -61.48861 1078.50736
105.0000 -65.87071 -62.07494 3.79577 2.50050 -61.94743 1033.83226
110.0000 -64.82252 -59.61991 5.20260 2.68461 -60.20960 1248.88361
115.0000 -65.53917 -60.52805 5.01112 2.69328 -60.12775 1232.19588
120.0000 -65.81433 -61.15615 4.65818 2.53170 -61.65300 1138.52852
125.0000 -65.27801 -61.26078 4.01723 2.54199 -61.55584 1113.52391
130.0000 -65.65742 -61.50866 4.14876 2.62002 -60.81929 1240.91121
135.0000 -66.87288 -63.86168 3.01120 2.38569 -63.03114 952.40646
140.0000 -66.21843 -62.98150 3.23693 2.34419 -63.42288 930.42836
145.0000 -65.98387 -61.23626 4.74761 2.42431 -62.66661 1022.10495
150.0000 -66.42689 -62.31483 4.11205 2.49625 -61.98754 1066.86415
155.0000 -65.75845 -62.71970 3.03875 2.45439 -62.38274 1009.85872
160.0000 -66.78166 -62.61961 4.16205 2.38987 -62.99170 993.34287
165.0000 -65.07409 -60.83870 4.23540 2.50571 -61.89829 998.78802
170.0000 -65.09356 -60.70894 4.38461 2.64559 -60.57792 1172.77685
175.0000 -64.91229 -60.11130 4.80099 2.67958 -60.25707 1196.32962
180.0000 -65.02298 -59.98066 5.04232 2.80148 -59.10648 1309.83298
185.0000 -64.46104 -59.60161 4.85943 2.73954 -59.69114 1340.91399
190.0000 -64.25466 -60.62109 3.63357 2.71972 -59.87819 1307.86157
195.0000 -66.31589 -62.23279 4.08310 2.54071 -61.56790 1104.91158
200.0000 -66.82193 -62.27844 4.54349 2.53048 -61.66451 1131.63329
205.0000 -66.33976 -62.69632 3.64344 2.42119 -62.69603 1069.26543
210.0000 -66.46240 -62.08232 4.38008 2.44901 -62.43351 1037.03819
215.0000 -65.67987 -61.79895 3.88092 2.53558 -61.61630 1139.95344
220.0000 -67.18806 -63.11379 4.07427 2.42238 -62.68486 1019.25386
225.0000 -66.33658 -61.35196 4.98462 2.52661 -61.70104 1085.16832
230.0000 -64.44691 -59.72775 4.71916 2.70510 -60.01622 1249.37357
235.0000 -65.57624 -60.39402 5.18223 2.72320 -59.84532 1271.54415
240.0000 -64.83547 -60.64016 4.19531 2.66339 -60.40994 1239.46513
245.0000 -65.32303 -60.90118 4.42184 2.69826 -60.08076 1230.12109
250.0000 -64.90938 -60.62443 4.28496 2.63372 -60.68997 1257.36003
FREEZING PROCESS: loop number 2 T-loop= 1090.0000000000000
main_MD> interactions number 2 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.35034 -0.41056 1.80365
force_rgl> df(natom) -1.28192 -1.84471 -0.31254
255.0000 -65.95492 -61.37711 4.57780 2.56623 -61.32702 1190.46621
260.0000 -65.05985 -60.24371 4.81614 2.63271 -60.69947 1177.50910
265.0000 -66.03114 -60.24418 5.78696 2.65745 -60.46598 1213.23825
270.0000 -65.45834 -59.91536 5.54298 2.66503 -60.39446 1264.84735
275.0000 -66.69023 -62.07502 4.61521 2.54526 -61.52500 1123.40636
280.0000 -65.73789 -61.80730 3.93059 2.41135 -62.78900 1002.14487
285.0000 -67.00006 -62.34614 4.65392 2.50310 -61.92287 1066.43338
290.0000 -65.77466 -62.68825 3.08641 2.46313 -62.30016 1024.34558
295.0000 -65.93533 -62.99198 2.94335 2.40409 -62.85747 952.62032
300.0000 -66.02327 -62.63257 3.39070 2.38583 -63.02987 923.52215
305.0000 -66.37308 -62.76184 3.61123 2.45100 -62.41465 1025.36292
310.0000 -66.57759 -63.18949 3.38809 2.42641 -62.64684 1060.29833
315.0000 -66.61185 -62.72583 3.88602 2.42671 -62.64395 1000.69150
320.0000 -65.59746 -61.74507 3.85239 2.44781 -62.44481 1090.30806
325.0000 -64.52461 -60.45274 4.07187 2.51317 -61.82786 1103.20228
330.0000 -65.74812 -62.15328 3.59484 2.55176 -61.46357 1171.63723
335.0000 -66.79996 -62.67300 4.12696 2.49625 -61.98755 1146.75112
340.0000 -65.70684 -61.49913 4.20770 2.42701 -62.64113 1044.86039
345.0000 -65.96514 -61.66948 4.29565 2.56627 -61.32666 1141.77436
350.0000 -65.94918 -62.57026 3.37892 2.43888 -62.52913 1010.56963
355.0000 -66.32086 -62.58090 3.73996 2.43274 -62.58705 1003.95617
360.0000 -65.31312 -59.97691 5.33621 2.59162 -61.08740 1125.55215
365.0000 -66.70061 -60.47318 6.22743 2.64821 -60.55323 1185.77334
370.0000 -65.27409 -60.62961 4.64448 2.63535 -60.67460 1171.61901
375.0000 -64.28515 -60.39414 3.89101 2.67064 -60.34144 1197.00459
380.0000 -65.53106 -60.25016 5.28090 2.71875 -59.88736 1276.28344
385.0000 -66.03774 -60.72248 5.31526 2.73994 -59.68734 1318.82045
390.0000 -65.30617 -61.18549 4.12068 2.50247 -61.92883 1100.44102
395.0000 -65.09039 -60.59901 4.49138 2.64498 -60.58369 1199.32424
400.0000 -64.76728 -59.78194 4.98534 2.63373 -60.68989 1247.05179
405.0000 -65.18203 -62.26201 2.92003 2.60972 -60.91654 1177.99538
410.0000 -66.56054 -61.66204 4.89850 2.53566 -61.61555 1144.70999
415.0000 -65.61056 -61.03321 4.57735 2.47721 -62.16725 1067.22074
420.0000 -64.96697 -61.12616 3.84081 2.65340 -60.50426 1184.78851
425.0000 -66.18692 -62.41234 3.77458 2.49883 -61.96326 1109.93532
430.0000 -66.17376 -62.68659 3.48717 2.47473 -62.19066 1016.05889
435.0000 -66.13010 -61.24225 4.88784 2.50480 -61.90683 1079.11631
440.0000 -64.88845 -61.05485 3.83360 2.61205 -60.89456 1221.10062
445.0000 -66.37376 -62.00935 4.36441 2.59975 -61.01058 1167.09940
450.0000 -66.98735 -62.60572 4.38163 2.47283 -62.20862 1083.09938
455.0000 -66.52097 -63.05410 3.46687 2.42449 -62.66496 1004.89799
460.0000 -66.18163 -61.45428 4.72735 2.40639 -62.83577 973.51599
465.0000 -66.59356 -63.41838 3.17518 2.44019 -62.51672 988.58750
470.0000 -65.62676 -60.64978 4.97698 2.50236 -61.92992 1018.36517
475.0000 -65.21973 -60.37053 4.84920 2.56009 -61.38494 1109.89779
480.0000 -65.85436 -61.87990 3.97447 2.64722 -60.56258 1233.36720
485.0000 -65.33989 -61.39360 3.94629 2.53650 -61.60766 1124.01290
490.0000 -66.29296 -61.51128 4.78168 2.58133 -61.18447 1145.06347
495.0000 -66.83642 -62.52754 4.30887 2.57759 -61.21976 1205.64341
500.0000 -64.40700 -60.25804 4.14896 2.62005 -60.81904 1233.24987
FREEZING PROCESS: loop number 3 T-loop= 1065.0000000000000
main_MD> interactions number 3 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.44604 -2.40902 3.24050
force_rgl> df(natom) -2.12515 -2.51597 0.37662
505.0000 -66.56772 -62.50605 4.06167 2.53986 -61.57593 1058.28281
510.0000 -66.88838 -62.70403 4.18435 2.43662 -62.55046 1039.64289
515.0000 -65.96995 -61.79329 4.17666 2.47250 -62.21172 1055.56421
520.0000 -66.62343 -62.31152 4.31191 2.48242 -62.11811 1017.31137
525.0000 -65.77651 -61.88284 3.89367 2.55303 -61.45164 1173.53721
530.0000 -65.85785 -62.17349 3.68436 2.52834 -61.68469 1033.07514
535.0000 -65.05651 -61.59399 3.46251 2.54418 -61.53515 1099.75419
540.0000 -66.62687 -63.48209 3.14478 2.50923 -61.86508 1085.70970
545.0000 -66.04103 -61.30640 4.73462 2.46094 -62.32089 1000.04276
550.0000 -65.79937 -62.92800 2.87137 2.53939 -61.58040 1134.99644
555.0000 -66.46818 -61.48797 4.98021 2.47071 -62.22867 1013.09304
560.0000 -66.99448 -62.36224 4.63224 2.50237 -61.92981 1067.26946
565.0000 -66.03112 -61.56565 4.46547 2.48077 -62.13366 1044.15845
570.0000 -65.42798 -61.73361 3.69437 2.53954 -61.57891 1091.01284
575.0000 -66.19725 -62.65446 3.54279 2.48172 -62.12474 1028.30179
580.0000 -65.78804 -61.59717 4.19087 2.51121 -61.84635 1062.59613
585.0000 -65.41445 -61.96370 3.45075 2.51900 -61.77280 1107.33572
590.0000 -65.61378 -62.07798 3.53581 2.49324 -62.01596 1073.97556
595.0000 -65.15042 -60.72788 4.42254 2.61645 -60.85301 1168.79875
600.0000 -63.39366 -59.97337 3.42029 2.58403 -61.15899 1110.81440
605.0000 -65.43261 -60.52121 4.91140 2.67952 -60.25764 1267.38067
610.0000 -65.57409 -61.98161 3.59248 2.55375 -61.44481 1078.77897
615.0000 -65.74705 -61.45295 4.29410 2.46377 -62.29413 1047.21617
620.0000 -66.94049 -63.63701 3.30349 2.41176 -62.78505 985.61436
625.0000 -66.20579 -61.89170 4.31409 2.44369 -62.48371 1042.70808
630.0000 -66.94550 -62.97855 3.96695 2.43473 -62.56830 937.82362
635.0000 -65.77337 -61.09953 4.67384 2.51392 -61.82075 1076.92489
640.0000 -65.98154 -62.51395 3.46759 2.53375 -61.63363 1096.00092
645.0000 -66.70073 -63.13264 3.56809 2.40314 -62.86646 966.54366
650.0000 -66.19184 -62.28249 3.90935 2.41514 -62.75318 1003.13077
655.0000 -66.14014 -62.32697 3.81318 2.47638 -62.17511 1020.47142
660.0000 -66.54978 -61.91643 4.63335 2.49689 -61.98151 1060.71451
665.0000 -65.23275 -61.60993 3.62282 2.51180 -61.84083 1075.93218
670.0000 -67.48814 -63.13473 4.35341 2.42194 -62.68896 1005.68379
675.0000 -64.94914 -61.90485 3.04430 2.41545 -62.75024 937.91179
680.0000 -65.91006 -61.42803 4.48203 2.50939 -61.86353 1062.87086
685.0000 -66.16153 -62.26872 3.89281 2.50174 -61.93576 1090.93781
690.0000 -67.07160 -63.37082 3.70079 2.37231 -63.15749 967.99383
695.0000 -66.53614 -62.35803 4.17810 2.39052 -62.98560 1013.42998
700.0000 -66.39577 -62.55622 3.83955 2.46795 -62.25473 1085.21015
705.0000 -66.28675 -62.87369 3.41306 2.44325 -62.48782 1042.66409
710.0000 -65.83054 -62.09625 3.73429 2.48046 -62.13663 1052.79305
715.0000 -66.54994 -63.18677 3.36317 2.50459 -61.90889 1059.11654
720.0000 -65.32146 -61.22001 4.10145 2.44129 -62.50632 1008.61652
725.0000 -67.07866 -62.15571 4.92296 2.43136 -62.60011 1020.28469
730.0000 -66.61047 -61.64570 4.96478 2.49459 -62.00325 1081.42091
735.0000 -66.52162 -62.32154 4.20008 2.46525 -62.28016 1008.31987
740.0000 -66.01066 -61.52403 4.48663 2.46517 -62.28094 1066.96538
745.0000 -65.12046 -61.63902 3.48145 2.56101 -61.37632 1114.53136
750.0000 -65.57947 -61.61680 3.96267 2.54417 -61.53527 1152.30246
FREEZING PROCESS: loop number 4 T-loop= 1040.0000000000000
main_MD> interactions number 4 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48495 -2.62129 -8.50104
force_rgl> df(natom) 0.55404 -0.88166 -1.35098
755.0000 -66.21612 -62.42131 3.79480 2.50683 -61.88769 1087.19524
760.0000 -65.99561 -62.83359 3.16202 2.36285 -63.24675 954.20732
765.0000 -67.39951 -64.38456 3.01495 2.31614 -63.68766 876.50736
770.0000 -66.75423 -63.80373 2.95049 2.29834 -63.85567 886.47131
775.0000 -66.83113 -63.58962 3.24151 2.31628 -63.68636 910.08776
780.0000 -67.14837 -62.87333 4.27504 2.35962 -63.27727 998.91802
785.0000 -66.30131 -62.41185 3.88946 2.37311 -63.14990 974.56551
790.0000 -66.45279 -62.51752 3.93527 2.43542 -62.56179 1038.69853
795.0000 -67.46994 -64.19701 3.27293 2.37512 -63.13098 928.23338
800.0000 -67.00549 -62.86922 4.13627 2.37150 -63.16507 938.44879
805.0000 -64.87319 -60.56162 4.31157 2.47267 -62.21018 1065.02259
810.0000 -66.46601 -61.77129 4.69472 2.61419 -60.87429 1148.80817
815.0000 -67.08288 -62.45252 4.63037 2.43853 -62.53243 958.90034
820.0000 -65.30305 -61.39545 3.90760 2.49348 -62.01368 1082.49198
825.0000 -66.37634 -62.70261 3.67373 2.45879 -62.34112 1023.79645
830.0000 -64.89824 -61.15588 3.74236 2.44521 -62.46930 967.30694
835.0000 -65.17820 -61.04741 4.13079 2.50587 -61.89675 1083.31739
840.0000 -65.93748 -63.07003 2.86744 2.49681 -61.98225 1063.10476
845.0000 -63.88152 -60.85779 3.02372 2.52847 -61.68347 1092.19539
850.0000 -65.47744 -61.64186 3.83558 2.67145 -60.33387 1220.34537
855.0000 -64.77568 -61.12747 3.64820 2.55098 -61.47092 1145.70207
860.0000 -65.18839 -61.39650 3.79189 2.51376 -61.82225 1073.45393
865.0000 -67.48250 -63.54842 3.93408 2.49389 -62.00981 1081.20310
870.0000 -67.69718 -62.79447 4.90272 2.38227 -63.06347 984.39960
875.0000 -67.16584 -63.00648 4.15936 2.43362 -62.57875 1058.75954
880.0000 -66.73603 -62.83893 3.89710 2.41522 -62.75239 1071.49604
885.0000 -67.92954 -64.60032 3.32921 2.28207 -64.00925 884.38112
890.0000 -67.29847 -63.36834 3.93013 2.35096 -63.35895 931.02691
895.0000 -64.96114 -61.75010 3.21104 2.42220 -62.68650 996.45306
900.0000 -65.37048 -61.68494 3.68554 2.45841 -62.34473 1034.56604
905.0000 -66.05696 -61.68202 4.37494 2.47209 -62.21564 1046.96671
910.0000 -66.61089 -61.72106 4.88982 2.40255 -62.87201 1003.09605
915.0000 -65.85382 -62.68802 3.16581 2.46513 -62.28133 1027.30317
920.0000 -66.64527 -62.90503 3.74024 2.43171 -62.59673 1028.95286
925.0000 -67.33325 -63.78469 3.54856 2.33231 -63.53506 920.23918
930.0000 -67.06046 -64.09105 2.96941 2.33211 -63.53694 928.66350
935.0000 -65.87817 -62.51543 3.36274 2.37527 -63.12950 947.88972
940.0000 -66.22696 -62.56466 3.66230 2.44729 -62.44969 1059.81773
945.0000 -65.96808 -62.57778 3.39030 2.46021 -62.32778 1068.31605
950.0000 -65.97744 -62.86328 3.11416 2.47136 -62.22255 1050.98632
955.0000 -66.18024 -62.89868 3.28156 2.43400 -62.57516 1073.28349
960.0000 -66.81326 -63.00514 3.80812 2.36949 -63.18408 964.78071
965.0000 -65.11353 -60.65316 4.46037 2.53295 -61.64111 1118.60077
970.0000 -65.46305 -61.86923 3.59382 2.55792 -61.40545 1159.89614
975.0000 -66.85684 -62.79449 4.06235 2.48944 -62.05181 1055.70876
980.0000 -66.07443 -61.99498 4.07944 2.42357 -62.67364 993.50622
985.0000 -66.12021 -62.07386 4.04635 2.49556 -61.99408 1110.54042
990.0000 -65.62231 -61.06283 4.55948 2.48751 -62.07006 1065.00180
995.0000 -65.51631 -60.69094 4.82537 2.62465 -60.77560 1193.87957
1000.0000 -66.42685 -60.27497 6.15188 2.65288 -60.50912 1286.01014
FREEZING PROCESS: loop number 5 T-loop= 1015.0000000000000
main_MD> interactions number 5 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.32069 6.29647 2.92173
force_rgl> df(natom) 1.31568 0.01115 0.11165
1005.0000 -65.40696 -62.00107 3.40588 2.56433 -61.34494 1158.44331
1010.0000 -67.00978 -62.32488 4.68490 2.43430 -62.57228 997.10687
1015.0000 -66.38146 -62.76069 3.62077 2.42833 -62.62870 995.32989
1020.0000 -66.25133 -62.30036 3.95097 2.42731 -62.63833 999.77062
1025.0000 -66.38619 -61.82535 4.56084 2.42807 -62.63113 991.93558
1030.0000 -67.07043 -63.14603 3.92440 2.54642 -61.51404 1092.30210
1035.0000 -66.38602 -62.72959 3.65643 2.42100 -62.69782 1022.74234
1040.0000 -67.10108 -64.03903 3.06205 2.34901 -63.37737 951.46594
1045.0000 -67.38639 -63.66094 3.72545 2.31006 -63.74503 831.93796
1050.0000 -66.06812 -62.58473 3.48338 2.36563 -63.22053 957.16470
1055.0000 -65.07020 -61.28023 3.78997 2.45286 -62.39714 1061.44326
1060.0000 -66.94734 -62.51808 4.42926 2.48520 -62.09184 1036.57242
1065.0000 -65.15699 -61.70522 3.45177 2.51208 -61.83816 1107.69401
1070.0000 -65.35827 -60.50541 4.85287 2.63107 -60.71500 1157.71741
1075.0000 -64.69857 -59.47853 5.22004 2.71558 -59.91729 1280.53998
1080.0000 -64.96949 -61.67272 3.29677 2.63715 -60.65757 1168.39402
1085.0000 -66.87281 -63.31689 3.55592 2.46647 -62.26866 1020.06155
1090.0000 -66.32438 -62.76873 3.55565 2.33865 -63.47515 957.51619
1095.0000 -67.57061 -63.39903 4.17158 2.32331 -63.61997 969.45656
1100.0000 -67.01531 -63.74734 3.26796 2.30303 -63.81137 874.53636
1105.0000 -67.30155 -63.70083 3.60072 2.36444 -63.23170 979.32349
1110.0000 -66.32001 -63.29618 3.02383 2.37029 -63.17656 991.98356
1115.0000 -65.67048 -62.34260 3.32788 2.45797 -62.34892 1003.98856
1120.0000 -66.14675 -63.24927 2.89747 2.46974 -62.23780 1054.85734
1125.0000 -65.87973 -62.63112 3.24861 2.35061 -63.36228 919.60004
1130.0000 -67.34304 -64.46126 2.88178 2.30581 -63.78519 889.97928
1135.0000 -66.33999 -61.96094 4.37905 2.41657 -62.73969 1011.83561
1140.0000 -66.00391 -62.34268 3.66123 2.43690 -62.54778 1036.45644
1145.0000 -64.70216 -61.13737 3.56479 2.48502 -62.09362 1098.87752
1150.0000 -66.11866 -61.54109 4.57756 2.49962 -61.95579 1104.71376
1155.0000 -67.15839 -63.31216 3.84623 2.40824 -62.81830 1035.49743
1160.0000 -67.07145 -62.97255 4.09890 2.34840 -63.38317 934.94908
1165.0000 -65.06699 -61.49863 3.56836 2.54748 -61.50402 1102.22416
1170.0000 -65.91511 -60.48761 5.42750 2.57572 -61.23747 1095.90608
1175.0000 -66.04905 -62.34103 3.70802 2.61819 -60.83656 1183.81268
1180.0000 -65.87554 -62.78050 3.09504 2.41415 -62.76249 974.42888
1185.0000 -66.52697 -63.25108 3.27589 2.37476 -63.13433 976.67186
1190.0000 -66.88338 -62.81695 4.06643 2.37190 -63.16137 1008.79349
1195.0000 -67.11288 -63.62482 3.48806 2.31724 -63.67725 907.11374
1200.0000 -67.66832 -64.27508 3.39324 2.39283 -62.96377 1026.98038
1205.0000 -67.62908 -63.14168 4.48740 2.22736 -64.52565 865.67311
1210.0000 -65.59549 -61.52545 4.07004 2.48293 -62.11326 1020.62216
1215.0000 -66.19194 -62.32344 3.86850 2.51310 -61.82853 1050.75952
1220.0000 -66.75560 -63.53981 3.21579 2.42746 -62.63688 925.14418
1225.0000 -67.25287 -63.11908 4.13379 2.31632 -63.68595 953.00124
1230.0000 -66.69346 -63.00195 3.69151 2.30542 -63.78887 932.54680
1235.0000 -65.78472 -61.52802 4.25670 2.52191 -61.74540 1108.20354
1240.0000 -66.72344 -62.42201 4.30143 2.53332 -61.63762 1135.41760
1245.0000 -67.94796 -64.52863 3.41933 2.33274 -63.53099 933.35761
1250.0000 -66.68577 -63.05196 3.63380 2.34011 -63.46138 960.81939
FREEZING PROCESS: loop number 6 T-loop= 990.00000000000000
main_MD> interactions number 6 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92833 1.45001 -3.29008
force_rgl> df(natom) -1.01195 -1.74077 2.87979
1255.0000 -67.48940 -64.18971 3.29970 2.37967 -63.08801 960.90690
1260.0000 -67.21832 -63.82636 3.39196 2.23532 -64.45051 827.43441
1265.0000 -67.19601 -63.65514 3.54086 2.31775 -63.67241 942.47274
1270.0000 -67.27375 -63.69843 3.57532 2.33057 -63.55140 903.92103
1275.0000 -66.79726 -63.36186 3.43540 2.33765 -63.48464 876.47706
1280.0000 -67.58804 -63.52744 4.06059 2.35967 -63.27674 978.78278
1285.0000 -67.48293 -64.71030 2.77263 2.25189 -64.29410 878.69649
1290.0000 -67.02393 -63.38611 3.63783 2.26121 -64.20613 879.87896
1295.0000 -66.55572 -62.80535 3.75037 2.38364 -63.05055 1007.54651
1300.0000 -65.27139 -61.89232 3.37907 2.47479 -62.19011 1029.13726
1305.0000 -67.02791 -62.81870 4.20921 2.44366 -62.48401 1050.14718
1310.0000 -66.84097 -62.85710 3.98387 2.37481 -63.13385 980.91815
1315.0000 -66.80637 -63.77141 3.03496 2.38038 -63.08132 957.78653
1320.0000 -66.41289 -62.48988 3.92301 2.36351 -63.24056 945.12599
1325.0000 -65.87119 -62.13389 3.73729 2.49978 -61.95422 1047.53161
1330.0000 -65.00412 -61.10227 3.90186 2.54411 -61.53579 1067.77424
1335.0000 -66.20927 -61.90737 4.30190 2.54362 -61.54047 1108.88237
1340.0000 -65.94117 -62.39771 3.54346 2.46946 -62.24041 989.79828
1345.0000 -67.55573 -64.98172 2.57401 2.32342 -63.61889 875.86948
1350.0000 -67.53366 -63.30229 4.23137 2.35179 -63.35113 932.34478
1355.0000 -67.37780 -63.92129 3.45651 2.31433 -63.70473 878.91976
1360.0000 -66.55625 -63.91412 2.64213 2.28513 -63.98032 857.03940
1365.0000 -66.91164 -62.76802 4.14362 2.38782 -63.01104 971.74683
1370.0000 -66.15345 -62.83649 3.31696 2.42573 -62.65322 987.99847
1375.0000 -67.06331 -63.66251 3.40080 2.35981 -63.27542 926.10463
1380.0000 -67.25483 -63.53025 3.72458 2.29217 -63.91393 921.57126
1385.0000 -67.04047 -62.38936 4.65111 2.40405 -62.85790 1056.22804
1390.0000 -66.68524 -63.55303 3.13221 2.37375 -63.14382 941.28181
1395.0000 -66.78795 -62.82696 3.96099 2.34869 -63.38045 896.42403
1400.0000 -65.44533 -61.45081 3.99452 2.45059 -62.41856 1039.72650
1405.0000 -66.61343 -62.55749 4.05594 2.45976 -62.33199 1046.09925
1410.0000 -65.10709 -62.19425 2.91284 2.44237 -62.49612 1052.86797
1415.0000 -67.19852 -62.38099 4.81753 2.40810 -62.81967 978.57087
1420.0000 -65.69595 -61.49862 4.19733 2.58535 -61.14656 1148.84759
1425.0000 -65.73818 -61.36865 4.36954 2.56023 -61.38361 1104.89797
1430.0000 -65.48130 -62.51646 2.96484 2.49508 -61.99865 1043.76229
1435.0000 -65.41955 -62.07956 3.33999 2.48117 -62.12987 1059.80179
1440.0000 -66.57971 -62.47795 4.10176 2.45478 -62.37902 1004.53577
1445.0000 -66.49055 -61.88887 4.60169 2.48291 -62.11344 1075.71084
1450.0000 -64.55791 -60.01630 4.54161 2.63418 -60.68560 1226.30991
1455.0000 -66.37914 -62.05363 4.32550 2.52561 -61.71040 1113.34911
1460.0000 -64.59820 -61.20305 3.39515 2.57739 -61.22167 1172.74815
1465.0000 -66.28926 -63.37095 2.91831 2.44550 -62.46664 1007.24736
1470.0000 -66.98960 -62.69176 4.29784 2.37191 -63.16125 978.51302
1475.0000 -66.61152 -62.84610 3.76542 2.38453 -63.04214 1024.85848
1480.0000 -67.46386 -64.31540 3.14846 2.37583 -63.12418 991.13655
1485.0000 -66.41140 -63.27332 3.13808 2.29167 -63.91860 844.91156
1490.0000 -67.29067 -64.14010 3.15056 2.29146 -63.92057 829.03082
1495.0000 -66.17693 -63.07760 3.09933 2.32576 -63.59680 860.55946
1500.0000 -66.46824 -62.90146 3.56678 2.35056 -63.36274 921.14955
FREEZING PROCESS: loop number 7 T-loop= 965.00000000000000
main_MD> interactions number 7 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.23175 0.43515 1.86775
force_rgl> df(natom) 0.21543 -0.92869 0.10456
1505.0000 -68.03683 -64.94415 3.09268 2.28012 -64.02769 897.62711
1510.0000 -67.24775 -64.61379 2.63396 2.23710 -64.43371 856.35022
1515.0000 -66.66621 -63.33021 3.33600 2.30304 -63.81129 917.46785
1520.0000 -68.29540 -63.94248 4.35292 2.35672 -63.30457 971.58937
1525.0000 -67.55692 -64.57345 2.98346 2.31453 -63.70287 918.03126
1530.0000 -66.22416 -64.21539 2.00876 2.23660 -64.43843 773.98422
1535.0000 -68.26020 -65.09761 3.16260 2.23206 -64.48133 780.56373
1540.0000 -67.16105 -64.41743 2.74362 2.23367 -64.46614 885.28772
1545.0000 -67.63036 -63.48585 4.14451 2.31276 -63.71952 936.94354
1550.0000 -66.16574 -62.54416 3.62158 2.33348 -63.52398 902.75458
1555.0000 -67.05931 -63.98576 3.07355 2.34870 -63.38033 927.21030
1560.0000 -67.60120 -64.51211 3.08909 2.21147 -64.67567 831.86888
1565.0000 -68.01437 -65.35961 2.65476 2.23565 -64.44740 828.81271
1570.0000 -66.28431 -62.88895 3.39535 2.21723 -64.62131 804.58413
1575.0000 -66.48395 -63.01981 3.46414 2.39555 -62.93807 996.02731
1580.0000 -66.87687 -62.99593 3.88093 2.37179 -63.16235 899.01415
1585.0000 -67.52656 -62.72050 4.80607 2.39362 -62.95634 998.06344
1590.0000 -65.40719 -62.67614 2.73105 2.40857 -62.81516 1000.55394
1595.0000 -66.32601 -62.13245 4.19356 2.48476 -62.09600 1092.85465
1600.0000 -66.11199 -62.57268 3.53930 2.44078 -62.51111 1010.45941
1605.0000 -65.61351 -62.47634 3.13718 2.44090 -62.51002 964.43400
1610.0000 -65.19651 -61.05503 4.14148 2.50597 -61.89584 1090.13794
1615.0000 -66.97530 -63.20507 3.77023 2.53074 -61.66201 1039.08849
1620.0000 -65.99032 -62.55976 3.43057 2.40058 -62.89064 1034.85775
1625.0000 -66.02430 -61.47284 4.55146 2.50402 -61.91422 1102.06922
1630.0000 -65.98528 -62.05809 3.92719 2.49189 -62.02876 1033.90491
1635.0000 -66.41233 -62.57839 3.83394 2.40700 -62.83002 984.48452
1640.0000 -67.43274 -64.07446 3.35828 2.38557 -63.03228 959.87905
1645.0000 -66.53380 -63.63220 2.90159 2.28330 -63.99761 906.13586
1650.0000 -67.11834 -63.53510 3.58324 2.31743 -63.67552 902.82166
1655.0000 -66.68021 -62.58396 4.09625 2.41681 -62.73740 1002.01437
1660.0000 -66.89934 -62.03136 4.86798 2.41415 -62.76251 1030.15668
1665.0000 -66.59917 -63.11465 3.48452 2.48366 -62.10645 1070.21214
1670.0000 -66.61064 -62.51302 4.09762 2.39162 -62.97522 996.93631
1675.0000 -67.23494 -63.71440 3.52054 2.41230 -62.78000 982.15935
1680.0000 -66.84822 -63.71700 3.13123 2.28911 -63.94278 911.65540
1685.0000 -65.64599 -62.10470 3.54129 2.39383 -62.95432 937.31236
1690.0000 -66.85146 -63.00980 3.84166 2.35779 -63.29456 950.56416
1695.0000 -65.72475 -63.15122 2.57354 2.36998 -63.17943 933.37224
1700.0000 -65.53966 -62.00894 3.53072 2.43440 -62.57142 1039.04111
1705.0000 -66.58005 -63.04740 3.53265 2.43943 -62.52388 1076.43573
1710.0000 -67.23321 -63.62747 3.60574 2.36872 -63.19133 970.07628
1715.0000 -66.62318 -63.21842 3.40476 2.32512 -63.60285 941.40531
1720.0000 -66.48091 -62.59964 3.88127 2.38106 -63.07491 945.21759
1725.0000 -66.73396 -62.70139 4.03257 2.39723 -62.92221 1011.76664
1730.0000 -66.49897 -63.26619 3.23278 2.35391 -63.33111 932.12878
1735.0000 -66.46006 -63.23704 3.22301 2.34576 -63.40808 939.13726
1740.0000 -67.44779 -63.11231 4.33548 2.33072 -63.55000 925.49287
1745.0000 -66.29087 -62.47877 3.81209 2.42861 -62.62604 994.55698
1750.0000 -66.27915 -62.56940 3.70975 2.48559 -62.08819 1069.81284
FREEZING PROCESS: loop number 8 T-loop= 940.00000000000000
main_MD> interactions number 8 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.25528 1.36924 3.98483
force_rgl> df(natom) 2.66692 3.23022 2.99983
1755.0000 -66.71996 -62.90696 3.81299 2.37013 -63.17807 939.14862
1760.0000 -66.17967 -62.47326 3.70641 2.34266 -63.43735 927.91245
1765.0000 -66.80590 -62.31439 4.49152 2.42021 -62.70534 999.21554
1770.0000 -66.64743 -63.37597 3.27147 2.39335 -62.95884 954.14423
1775.0000 -66.74734 -62.21063 4.53671 2.40094 -62.88722 939.29443
1780.0000 -67.28760 -63.06833 4.21926 2.41140 -62.78852 1038.50011
1785.0000 -65.96400 -62.50914 3.45486 2.38605 -63.02776 974.77569
1790.0000 -66.53055 -62.54817 3.98238 2.41950 -62.71202 948.99930
1795.0000 -66.67258 -63.94902 2.72356 2.35954 -63.27798 864.35238
1800.0000 -67.32325 -63.84041 3.48284 2.29704 -63.86798 909.65154
1805.0000 -66.80203 -63.04384 3.75819 2.35546 -63.31653 971.86633
1810.0000 -66.14678 -61.91860 4.22818 2.45758 -62.35259 1098.74356
1815.0000 -68.21753 -65.45750 2.76003 2.31452 -63.70292 915.12928
1820.0000 -67.35810 -63.43576 3.92233 2.25159 -64.29698 836.08602
1825.0000 -67.44128 -63.43054 4.01074 2.35235 -63.34585 896.83931
1830.0000 -66.84585 -62.76999 4.07586 2.32855 -63.57056 912.69378
1835.0000 -66.13557 -62.30085 3.83472 2.41358 -62.76794 962.84403
1840.0000 -65.95177 -62.56281 3.38896 2.48396 -62.10359 1079.63946
1845.0000 -66.69236 -62.52915 4.16321 2.40101 -62.88653 965.58754
1850.0000 -67.09049 -63.96435 3.12614 2.37589 -63.12365 937.04898
1855.0000 -65.93785 -63.02650 2.91135 2.33224 -63.53569 901.02390
1860.0000 -67.45624 -63.75971 3.69652 2.33779 -63.48328 931.42056
1865.0000 -67.31953 -63.88395 3.43558 2.33520 -63.50776 926.40169
1870.0000 -66.45257 -62.14035 4.31222 2.40275 -62.87015 1005.95168
1875.0000 -66.83242 -63.13557 3.69685 2.42840 -62.62805 1063.65842
1880.0000 -66.25752 -62.51376 3.74376 2.34735 -63.39304 925.14859
1885.0000 -66.80142 -63.02523 3.77620 2.44760 -62.44675 1021.50199
1890.0000 -67.03179 -62.71526 4.31653 2.41914 -62.71539 1047.56007
1895.0000 -66.81529 -63.13403 3.68127 2.43349 -62.57998 988.32007
1900.0000 -67.10870 -63.06750 4.04120 2.40324 -62.86554 992.97774
1905.0000 -66.31697 -63.23987 3.07710 2.37717 -63.11161 987.14725
1910.0000 -66.49976 -63.33849 3.16127 2.33307 -63.52781 925.16767
1915.0000 -67.18877 -63.82978 3.35899 2.33493 -63.51030 920.48648
1920.0000 -66.54916 -63.88548 2.66368 2.22445 -64.55313 883.75294
1925.0000 -65.40851 -62.15549 3.25302 2.36714 -63.20623 936.98524
1930.0000 -66.33851 -62.34924 3.98926 2.50328 -61.92123 1052.10702
1935.0000 -65.99223 -62.55689 3.43534 2.39679 -62.92641 933.40222
1940.0000 -67.07123 -62.97625 4.09498 2.40930 -62.80829 959.73895
1945.0000 -67.22445 -63.99989 3.22456 2.26664 -64.15486 902.00135
1950.0000 -67.08891 -62.87636 4.21255 2.33466 -63.51286 976.77589
1955.0000 -67.10278 -63.61401 3.48877 2.33493 -63.51027 915.31910
1960.0000 -66.81732 -63.30670 3.51062 2.27427 -64.08290 826.00030
1965.0000 -67.17817 -64.13526 3.04291 2.27448 -64.08092 865.16423
1970.0000 -67.77100 -64.16923 3.60178 2.31388 -63.70895 940.40522
1975.0000 -66.82922 -63.78647 3.04275 2.25933 -64.22385 866.22346
1980.0000 -67.42036 -64.20366 3.21670 2.26459 -64.17428 869.08793
1985.0000 -67.70904 -64.52086 3.18818 2.25274 -64.28606 854.19126
1990.0000 -66.68554 -63.18404 3.50150 2.27409 -64.08460 882.61421
1995.0000 -66.04348 -61.97888 4.06460 2.39217 -62.96999 970.31751
2000.0000 -65.95713 -62.03330 3.92383 2.47391 -62.19841 1023.26444
FREEZING PROCESS: loop number 9 T-loop= 915.00000000000000
main_MD> interactions number 9 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 12.89659 0.77102 -1.95751
force_rgl> df(natom) -2.84099 1.01834 1.50120
2005.0000 -66.91844 -63.58664 3.33181 2.36092 -63.26495 942.75285
2010.0000 -66.62875 -62.20003 4.42872 2.44552 -62.46640 1028.00648
2015.0000 -66.21389 -62.46393 3.74996 2.51542 -61.80662 1158.24402
2020.0000 -66.36115 -62.68652 3.67463 2.40472 -62.85158 948.28186
2025.0000 -67.38554 -63.81408 3.57146 2.32434 -63.61021 926.80832
2030.0000 -67.85457 -64.97572 2.87884 2.24186 -64.38878 813.56557
2035.0000 -67.92811 -63.81663 4.11148 2.20195 -64.76551 806.94567
2040.0000 -66.89080 -62.71901 4.17179 2.29153 -63.91998 917.99963
2045.0000 -66.69846 -62.28178 4.41668 2.48428 -62.10060 1093.68734
2050.0000 -66.32385 -62.48832 3.83553 2.47982 -62.14269 1017.93438
2055.0000 -65.59881 -61.85730 3.74151 2.47061 -62.22956 1020.16744
2060.0000 -66.80245 -63.59704 3.20542 2.36142 -63.26022 917.53904
2065.0000 -67.09850 -63.48834 3.61015 2.33087 -63.54862 890.19680
2070.0000 -66.03434 -63.28118 2.75316 2.32409 -63.61257 920.81200
2075.0000 -66.66420 -63.92142 2.74277 2.30448 -63.79767 868.97642
2080.0000 -66.86504 -63.46909 3.39596 2.26235 -64.19540 794.77887
2085.0000 -66.65325 -63.10798 3.54527 2.38299 -63.05667 911.42376
2090.0000 -66.47287 -62.47527 3.99760 2.42450 -62.66485 984.72428
2095.0000 -66.67190 -62.50953 4.16237 2.48407 -62.10252 988.16794
2100.0000 -65.90643 -62.35782 3.54861 2.50194 -61.93390 1067.28819
2105.0000 -67.22165 -63.46676 3.75489 2.42021 -62.70530 992.88172
2110.0000 -66.60263 -63.61573 2.98690 2.33313 -63.52732 930.14111
2115.0000 -67.20677 -63.87746 3.32931 2.38345 -63.05228 1017.59717
2120.0000 -69.26852 -66.22999 3.03852 2.17320 -65.03689 810.75851
2125.0000 -67.47666 -64.01809 3.45857 2.17094 -65.05819 870.99208
2130.0000 -66.23570 -63.12040 3.11530 2.33068 -63.55044 924.59368
2135.0000 -66.90991 -63.89926 3.01064 2.31109 -63.73534 904.82471
2140.0000 -67.34494 -63.44219 3.90274 2.33781 -63.48311 942.78537
2145.0000 -67.61613 -64.44718 3.16895 2.26211 -64.19761 855.25241
2150.0000 -68.23528 -64.61295 3.62233 2.21984 -64.59667 827.55431
2155.0000 -67.11025 -62.84123 4.26902 2.25642 -64.25134 903.93696
2160.0000 -66.20479 -63.29277 2.91201 2.41859 -62.72058 1004.71936
2165.0000 -66.38688 -63.24760 3.13929 2.32379 -63.61540 902.11199
2170.0000 -66.60191 -61.85184 4.75007 2.46797 -62.25449 1002.02677
2175.0000 -67.52462 -63.72907 3.79555 2.47540 -62.18437 1020.61315
2180.0000 -66.59085 -62.98455 3.60630 2.37076 -63.17211 982.04338
2185.0000 -66.48075 -62.70837 3.77238 2.38519 -63.03590 976.28063
2190.0000 -67.20922 -63.13341 4.07581 2.34571 -63.40850 935.61194
2195.0000 -67.15303 -63.88983 3.26320 2.32345 -63.61864 909.85749
2200.0000 -67.22387 -63.41082 3.81305 2.30046 -63.83563 868.76971
2205.0000 -67.00853 -63.77174 3.23679 2.30713 -63.77272 899.63129
2210.0000 -66.80936 -63.30066 3.50870 2.35232 -63.34612 961.59180
2215.0000 -65.72739 -62.63986 3.08752 2.36675 -63.20993 924.75286
2220.0000 -66.79917 -62.63807 4.16109 2.47285 -62.20847 996.59778
2225.0000 -66.87431 -63.33194 3.54237 2.37523 -63.12990 955.25680
2230.0000 -67.10370 -62.42739 4.67631 2.31592 -63.68977 917.43696
2235.0000 -67.10066 -63.93907 3.16160 2.34369 -63.42764 961.66208
2240.0000 -66.97026 -64.39249 2.57778 2.33196 -63.53835 942.23167
2245.0000 -66.87384 -64.08817 2.78567 2.30834 -63.76130 884.57555
2250.0000 -67.08603 -64.15831 2.92773 2.25156 -64.29719 818.98446
FREEZING PROCESS: loop number 10 T-loop= 890.00000000000000
main_MD> interactions number 10 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.71617 1.13556 -1.04074
force_rgl> df(natom) -1.70134 5.12672 0.27204
2255.0000 -66.08940 -62.19907 3.89034 2.44796 -62.44340 1036.42058
2260.0000 -66.29576 -62.61809 3.67767 2.46606 -62.27250 1025.15292
2265.0000 -68.01994 -64.29305 3.72689 2.35922 -63.28105 979.21739
2270.0000 -67.26876 -63.20046 4.06829 2.30423 -63.80003 913.24985
2275.0000 -66.01054 -63.28369 2.72685 2.36421 -63.23392 955.35593
2280.0000 -66.93197 -63.19299 3.73899 2.36894 -63.18931 956.39242
2285.0000 -67.61437 -63.03331 4.58106 2.35184 -63.35067 899.23153
2290.0000 -67.35984 -64.05761 3.30222 2.31959 -63.65511 933.24194
2295.0000 -66.69862 -63.33205 3.36657 2.32061 -63.64546 917.89943
2300.0000 -67.45414 -62.92879 4.52536 2.33090 -63.54834 871.64903
2305.0000 -66.50106 -63.88319 2.61788 2.37403 -63.14119 977.36563
2310.0000 -67.28459 -64.50116 2.78343 2.25363 -64.27767 791.91842
2315.0000 -68.07299 -65.19544 2.87755 2.26057 -64.21221 854.93243
2320.0000 -66.34064 -63.24610 3.09453 2.26260 -64.19306 832.79387
2325.0000 -66.69502 -62.92262 3.77240 2.39344 -62.95801 955.43962
2330.0000 -67.88683 -64.19840 3.68844 2.39031 -62.98758 968.09775
2335.0000 -67.28568 -64.50125 2.78443 2.24667 -64.34337 858.11458
2340.0000 -67.16233 -64.67933 2.48301 2.16230 -65.13977 747.05857
2345.0000 -67.22925 -63.93114 3.29811 2.24986 -64.31325 859.70791
2350.0000 -67.65545 -64.86896 2.78649 2.20552 -64.73181 821.78386
2355.0000 -66.67363 -63.56641 3.10722 2.24458 -64.36307 864.70942
2360.0000 -65.19270 -61.16751 4.02519 2.43276 -62.58686 1021.57726
2365.0000 -66.72587 -61.62156 5.10431 2.58156 -61.18233 1163.09382
2370.0000 -67.11556 -63.15910 3.95645 2.44779 -62.44502 1042.20516
2375.0000 -67.37316 -64.33109 3.04206 2.29934 -63.84621 881.43440
2380.0000 -68.08857 -64.15783 3.93074 2.24183 -64.38912 846.01158
2385.0000 -66.50336 -63.87041 2.63295 2.25081 -64.30430 889.97222
2390.0000 -67.96480 -64.81452 3.15027 2.21195 -64.67114 852.10010
2395.0000 -68.32127 -65.09454 3.22673 2.26612 -64.15978 918.37492
2400.0000 -66.74518 -64.07429 2.67089 2.22770 -64.52245 774.12291
2405.0000 -67.26118 -64.38718 2.87400 2.27215 -64.10289 852.45577
2410.0000 -67.74839 -64.83839 2.90999 2.19764 -64.80619 779.34900
2415.0000 -66.81694 -63.69252 3.12441 2.26882 -64.13434 872.57897
2420.0000 -67.82619 -63.72459 4.10160 2.36695 -63.20801 952.68438
2425.0000 -67.08286 -63.35802 3.72483 2.33505 -63.50913 941.68623
2430.0000 -66.79469 -62.59371 4.20098 2.42012 -62.70621 1037.90492
2435.0000 -66.95614 -62.59887 4.35727 2.49883 -61.96320 1064.62079
2440.0000 -67.44384 -64.04663 3.39721 2.38752 -63.01392 966.01055
2445.0000 -67.95939 -65.55462 2.40477 2.17760 -64.99531 768.14652
2450.0000 -67.12799 -65.28809 1.83990 2.16413 -65.12253 735.95923
2455.0000 -68.02820 -64.50463 3.52357 2.20612 -64.72612 819.83188
2460.0000 -67.20104 -64.07917 3.12187 2.27530 -64.07316 916.55757
2465.0000 -67.54474 -63.99744 3.54730 2.30232 -63.81811 938.64716
2470.0000 -66.45333 -63.20833 3.24500 2.34731 -63.39340 872.68844
2475.0000 -67.76836 -63.50311 4.26525 2.35735 -63.29864 999.54878
2480.0000 -66.26165 -63.22500 3.03665 2.35320 -63.33788 1011.55332
2485.0000 -66.53628 -63.74821 2.78807 2.28636 -63.96875 890.90740
2490.0000 -66.22747 -63.47991 2.74756 2.37731 -63.11028 965.64310
2495.0000 -66.03352 -62.04499 3.98853 2.44687 -62.45366 1007.61520
2500.0000 -65.80518 -62.02059 3.78460 2.49254 -62.02254 1042.42380
FREEZING PROCESS: loop number 11 T-loop= 865.00000000000000
main_MD> interactions number 11 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84667 0.71303 -0.75016
force_rgl> df(natom) -1.49258 3.40053 1.74182
2505.0000 -66.81239 -62.90453 3.90786 2.37430 -63.13866 958.74236
2510.0000 -66.41724 -63.67573 2.74151 2.37845 -63.09950 1004.59450
2515.0000 -68.66536 -65.48602 3.17933 2.23591 -64.44492 840.67950
2520.0000 -68.21213 -64.98375 3.22838 2.16116 -65.15057 775.95153
2525.0000 -67.73150 -64.50011 3.23139 2.26314 -64.18792 804.54260
2530.0000 -67.99765 -64.69684 3.30082 2.23261 -64.47609 817.81841
2535.0000 -65.98418 -63.32884 2.65534 2.29477 -63.88935 835.28349
2540.0000 -66.95382 -63.60822 3.34561 2.30992 -63.74632 919.25659
2545.0000 -68.07685 -64.81369 3.26316 2.21004 -64.68916 823.46238
2550.0000 -67.60950 -62.94457 4.66493 2.26338 -64.18570 877.33624
2555.0000 -66.58738 -63.91638 2.67100 2.34119 -63.45124 922.08996
2560.0000 -67.07595 -64.12970 2.94625 2.22949 -64.50554 812.59554
2565.0000 -67.28375 -64.19444 3.08931 2.28190 -64.01087 862.89460
2570.0000 -66.88757 -64.00950 2.87808 2.27379 -64.08741 847.98209
2575.0000 -67.32203 -64.30069 3.02134 2.29893 -63.85013 915.24312
2580.0000 -67.14073 -64.16778 2.97295 2.26587 -64.16216 888.01457
2585.0000 -68.81632 -65.16613 3.65020 2.20509 -64.73590 846.08420
2590.0000 -67.97031 -64.88411 3.08619 2.16431 -65.12082 790.49845
2595.0000 -68.97927 -65.52687 3.45241 2.15041 -65.25197 811.31909
2600.0000 -67.94379 -64.50185 3.44193 2.18841 -64.89329 802.10771
2605.0000 -67.16652 -64.15089 3.01563 2.24095 -64.39734 846.57648
2610.0000 -67.56830 -64.67417 2.89413 2.28942 -63.93985 875.84033
2615.0000 -67.99180 -64.17852 3.81328 2.21171 -64.67342 864.36619
2620.0000 -67.47296 -64.63305 2.83991 2.27080 -64.11567 820.44624
2625.0000 -67.22028 -63.43319 3.78709 2.27065 -64.11707 853.24454
2630.0000 -66.92154 -63.67318 3.24835 2.35881 -63.28488 986.50085
2635.0000 -67.45262 -64.56039 2.89224 2.28075 -64.02171 867.27381
2640.0000 -67.07775 -64.28583 2.79192 2.27875 -64.04063 892.64114
2645.0000 -67.38182 -63.75627 3.62555 2.30471 -63.79553 917.67523
2650.0000 -67.71282 -64.88125 2.83157 2.27719 -64.05530 848.38385
2655.0000 -67.97033 -65.28169 2.68864 2.17114 -65.05628 777.41202
2660.0000 -68.19914 -65.08382 3.11532 2.14559 -65.29746 770.03205
2665.0000 -67.11469 -63.69325 3.42144 2.25661 -64.24960 851.98282
2670.0000 -67.53226 -64.81584 2.71642 2.26451 -64.17500 891.75002
2675.0000 -68.30167 -65.28262 3.01905 2.12475 -65.49420 769.47003
2680.0000 -67.02579 -63.86740 3.15839 2.24283 -64.37962 860.54531
2685.0000 -68.15680 -64.74883 3.40797 2.26134 -64.20494 888.00197
2690.0000 -67.73902 -64.51645 3.22257 2.24666 -64.34350 872.03086
2695.0000 -66.86679 -62.57613 4.29067 2.25171 -64.29586 850.44481
2700.0000 -67.20852 -63.01964 4.18888 2.39743 -62.92037 1014.85311
2705.0000 -68.07199 -65.36312 2.70887 2.29371 -63.89940 914.12194
2710.0000 -67.37015 -64.01663 3.35352 2.19972 -64.78657 821.76042
2715.0000 -67.95965 -65.23464 2.72501 2.27028 -64.12050 883.41660
2720.0000 -67.00970 -63.98305 3.02665 2.19411 -64.83947 795.23440
2725.0000 -67.56552 -64.06806 3.49746 2.26409 -64.17900 875.94067
2730.0000 -65.62371 -62.48446 3.13926 2.31964 -63.65465 868.32349
2735.0000 -66.95366 -63.60219 3.35147 2.35852 -63.28762 910.37615
2740.0000 -67.09547 -63.70868 3.38678 2.32370 -63.61633 868.06582
2745.0000 -67.77939 -65.10391 2.67549 2.29032 -63.93142 845.76204
2750.0000 -66.66166 -63.61462 3.04703 2.28163 -64.01337 820.25294
FREEZING PROCESS: loop number 12 T-loop= 840.00000000000000
main_MD> interactions number 12 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02258 4.40725 -2.07143
force_rgl> df(natom) -2.21249 1.78663 0.82148
2755.0000 -67.77190 -64.00767 3.76423 2.24066 -64.40010 838.99906
2760.0000 -66.95083 -63.58390 3.36693 2.28230 -64.00710 905.52444
2765.0000 -67.77706 -64.59680 3.18026 2.26493 -64.17100 860.83466
2770.0000 -67.93391 -64.33432 3.59959 2.19077 -64.87100 802.40676
2775.0000 -67.71605 -64.15204 3.56400 2.24632 -64.34673 850.22591
2780.0000 -68.54552 -65.31779 3.22773 2.21149 -64.67544 828.75729
2785.0000 -68.40082 -65.67333 2.72749 2.14468 -65.30613 765.53719
2790.0000 -67.61546 -64.81664 2.79881 2.12173 -65.52268 706.86872
2795.0000 -67.08613 -64.49269 2.59344 2.19385 -64.84200 819.40412
2800.0000 -67.15405 -64.56269 2.59136 2.19546 -64.82680 769.21994
2805.0000 -67.63770 -64.92685 2.71085 2.14983 -65.25747 794.87689
2810.0000 -67.41283 -64.00484 3.40800 2.17961 -64.97637 791.98810
2815.0000 -68.45251 -65.77199 2.68052 2.21679 -64.62545 817.88692
2820.0000 -67.45601 -64.07358 3.38243 2.22977 -64.50291 820.99833
2825.0000 -66.83089 -62.99518 3.83571 2.31515 -63.69696 880.74050
2830.0000 -67.36747 -64.15677 3.21070 2.33189 -63.53897 958.45437
2835.0000 -67.84603 -63.76438 4.08165 2.22441 -64.55346 834.51919
2840.0000 -67.80840 -64.36550 3.44290 2.27066 -64.11696 925.28874
2845.0000 -67.52749 -64.79247 2.73502 2.25695 -64.24640 812.09386
2850.0000 -66.88614 -63.64128 3.24487 2.27863 -64.04170 872.38517
2855.0000 -66.55559 -62.86240 3.69319 2.38187 -63.06725 939.82800
2860.0000 -66.65950 -64.13755 2.52195 2.31295 -63.71772 895.39623
2865.0000 -67.33562 -63.95808 3.37754 2.27790 -64.04858 902.90262
2870.0000 -67.87111 -64.99330 2.87781 2.23208 -64.48113 853.14042
2875.0000 -67.44839 -65.32054 2.12785 2.15381 -65.21986 725.81127
2880.0000 -67.96415 -65.05689 2.90726 2.14493 -65.30368 766.44533
2885.0000 -67.84394 -65.23399 2.60995 2.14246 -65.32705 749.56765
2890.0000 -66.75189 -64.02111 2.73078 2.22171 -64.57899 765.48916
2895.0000 -67.52642 -64.15176 3.37466 2.30409 -63.80137 901.73677
2900.0000 -66.33023 -63.44796 2.88227 2.34129 -63.45030 941.06773
2905.0000 -67.58090 -64.01642 3.56448 2.30660 -63.77769 883.89767
2910.0000 -67.62160 -64.47610 3.14550 2.22156 -64.58044 841.62501
2915.0000 -67.92329 -64.68706 3.23623 2.20420 -64.74424 840.10216
2920.0000 -67.50670 -64.93542 2.57128 2.19441 -64.83670 769.61542
2925.0000 -67.08930 -63.97412 3.11518 2.27338 -64.09125 876.40795
2930.0000 -68.06633 -65.18676 2.87957 2.22379 -64.55931 854.69162
2935.0000 -67.35562 -64.11400 3.24163 2.28321 -63.99845 855.11975
2940.0000 -67.65379 -64.72547 2.92831 2.21881 -64.60640 844.97892
2945.0000 -68.62352 -64.73848 3.88504 2.17972 -64.97531 806.75841
2950.0000 -68.43855 -64.70118 3.73737 2.26050 -64.21285 889.95358
2955.0000 -67.44911 -64.56914 2.87997 2.21918 -64.60291 828.05459
2960.0000 -67.88603 -64.39449 3.49154 2.18854 -64.89205 801.65383
2965.0000 -68.17038 -64.65367 3.51672 2.22096 -64.58608 817.20960
2970.0000 -67.72653 -64.64137 3.08515 2.23456 -64.45774 836.77163
2975.0000 -68.35463 -65.30921 3.04542 2.20444 -64.74197 804.73853
2980.0000 -68.07605 -65.39071 2.68535 2.14636 -65.29027 751.45339
2985.0000 -66.74341 -64.41144 2.33197 2.25423 -64.27200 856.79159
2990.0000 -68.09262 -64.56997 3.52264 2.17472 -65.02249 738.39820
2995.0000 -67.05311 -63.72776 3.32535 2.27347 -64.09042 855.26241
3000.0000 -66.42369 -63.44335 2.98034 2.31770 -63.67297 847.24149
FREEZING PROCESS: loop number 13 T-loop= 815.00000000000000
main_MD> interactions number 13 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84271 -1.19870 1.79766
force_rgl> df(natom) -0.57891 1.30795 -2.02049
3005.0000 -66.87194 -63.97718 2.89477 2.26937 -64.12908 860.50597
3010.0000 -67.19205 -62.90251 4.28954 2.38016 -63.08334 938.77273
3015.0000 -67.63760 -63.82768 3.80992 2.32786 -63.57706 891.65777
3020.0000 -68.88099 -65.06172 3.81927 2.21569 -64.63586 825.76718
3025.0000 -67.13765 -64.77460 2.36305 2.22465 -64.55121 834.95966
3030.0000 -67.29408 -64.12420 3.16987 2.21720 -64.62154 801.93074
3035.0000 -66.24937 -63.07379 3.17558 2.29812 -63.85776 863.86095
3040.0000 -67.78198 -64.31335 3.46862 2.34497 -63.41553 872.57553
3045.0000 -66.49722 -63.18584 3.31138 2.30742 -63.76996 911.50449
3050.0000 -68.05302 -65.07413 2.97888 2.31050 -63.74090 906.84777
3055.0000 -67.68331 -63.53668 4.14663 2.23193 -64.48251 861.62500
3060.0000 -68.00060 -64.39568 3.60492 2.32750 -63.58040 949.85709
3065.0000 -69.04087 -66.39473 2.64614 2.15305 -65.22707 783.25400
3070.0000 -67.56521 -65.05817 2.50704 2.10382 -65.69174 758.11913
3075.0000 -67.13224 -63.97907 3.15317 2.20018 -64.78219 766.49507
3080.0000 -67.69760 -65.09311 2.60449 2.21400 -64.65172 793.25413
3085.0000 -68.30789 -65.49524 2.81265 2.14979 -65.25782 709.37068
3090.0000 -67.76693 -65.12903 2.63791 2.12207 -65.51952 688.05011
3095.0000 -67.64409 -65.92324 1.72085 2.11422 -65.59356 748.27723
3100.0000 -68.42607 -65.62459 2.80148 2.09204 -65.80294 698.48626
3105.0000 -68.06291 -65.02198 3.04094 2.12910 -65.45313 752.10151
3110.0000 -67.78870 -64.47874 3.30997 2.18120 -64.96141 849.13280
3115.0000 -68.05181 -64.00113 4.05068 2.22428 -64.55476 827.72509
3120.0000 -66.54162 -63.74255 2.79907 2.27508 -64.07521 884.15928
3125.0000 -67.61290 -64.73223 2.88067 2.27605 -64.06610 885.18084
3130.0000 -68.32393 -65.14269 3.18124 2.18572 -64.91868 809.48646
3135.0000 -68.56748 -64.75824 3.80925 2.18611 -64.91504 764.44762
3140.0000 -66.57931 -63.55739 3.02193 2.26418 -64.17809 837.39725
3145.0000 -68.02178 -65.24541 2.77637 2.25227 -64.29050 891.15386
3150.0000 -68.79952 -65.70784 3.09168 2.17090 -65.05857 771.36758
3155.0000 -66.99829 -64.68406 2.31424 2.14231 -65.32846 755.19954
3160.0000 -67.60689 -64.48569 3.12120 2.22441 -64.55346 853.91576
3165.0000 -67.22984 -62.93105 4.29879 2.26585 -64.16236 867.50677
3170.0000 -67.90408 -63.77362 4.13047 2.25907 -64.22632 853.26670
3175.0000 -67.01212 -64.49071 2.52141 2.32055 -63.64600 907.37611
3180.0000 -67.82793 -65.88674 1.94119 2.18996 -64.87867 771.23595
3185.0000 -67.76678 -65.20341 2.56337 2.15198 -65.23718 776.74307
3190.0000 -67.49797 -64.01293 3.48504 2.22790 -64.52052 846.92182
3195.0000 -67.20270 -64.24264 2.96006 2.26753 -64.14652 867.46284
3200.0000 -67.73193 -64.75594 2.97599 2.19331 -64.84708 797.71430
3205.0000 -68.29272 -64.77201 3.52071 2.24615 -64.34828 839.37663
3210.0000 -67.40299 -64.51630 2.88670 2.20278 -64.75770 786.04648
3215.0000 -68.21215 -65.48475 2.72739 2.19025 -64.87590 793.64693
3220.0000 -68.76377 -65.97027 2.79350 2.09684 -65.75767 708.38052
3225.0000 -67.87782 -64.88569 2.99212 2.15814 -65.17901 753.48956
3230.0000 -68.21530 -64.64731 3.56799 2.23476 -64.45580 852.45403
3235.0000 -67.07186 -64.13375 2.93811 2.19580 -64.82358 803.81420
3240.0000 -68.04746 -64.68210 3.36536 2.22525 -64.54560 850.54034
3245.0000 -68.03033 -65.13221 2.89812 2.18362 -64.93853 753.75620
3250.0000 -67.19586 -64.43294 2.76292 2.21491 -64.64316 801.88575
FREEZING PROCESS: loop number 14 T-loop= 790.00000000000000
main_MD> interactions number 14 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64110 -1.69576 0.76984
force_rgl> df(natom) 1.11260 -0.17276 0.05431
3255.0000 -67.59920 -63.66878 3.93042 2.35018 -63.36632 882.57606
3260.0000 -67.84552 -64.12721 3.71831 2.25085 -64.30393 830.32346
3265.0000 -67.70645 -64.39378 3.31267 2.26437 -64.17635 918.85574
3270.0000 -67.93730 -65.47797 2.45933 2.15639 -65.19559 748.52439
3275.0000 -67.37297 -63.53303 3.83994 2.23993 -64.40704 827.12530
3280.0000 -67.76145 -64.17411 3.58734 2.26726 -64.14901 866.03588
3285.0000 -67.61635 -64.89163 2.72473 2.19901 -64.79329 826.98238
3290.0000 -67.89797 -65.15580 2.74217 2.18441 -64.93107 797.25271
3295.0000 -68.45432 -65.50783 2.94649 2.14856 -65.26951 729.32561
3300.0000 -68.10653 -64.84163 3.26491 2.20349 -64.75095 815.31909
3305.0000 -66.84070 -63.93012 2.91058 2.22106 -64.58516 780.90327
3310.0000 -67.01418 -63.80911 3.20507 2.21145 -64.67585 815.93911
3315.0000 -68.43914 -64.93052 3.50862 2.20572 -64.72990 818.26397
3320.0000 -66.93906 -64.10731 2.83175 2.23376 -64.46529 781.74564
3325.0000 -68.07597 -65.30720 2.76876 2.23109 -64.49045 826.04591
3330.0000 -69.22819 -66.33907 2.88912 2.07515 -65.96243 687.83915
3335.0000 -68.94769 -66.25921 2.68847 2.02828 -66.40479 654.88951
3340.0000 -69.57869 -66.76995 2.80874 1.97954 -66.86483 617.28856
3345.0000 -68.54218 -65.20642 3.33576 2.07933 -65.92292 709.47481
3350.0000 -68.02367 -65.69212 2.33155 2.10058 -65.72231 690.30764
3355.0000 -68.55756 -66.03524 2.52232 2.17742 -64.99701 806.01343
3360.0000 -68.37437 -65.73611 2.63826 2.08187 -65.89894 663.03528
3365.0000 -68.76993 -65.64576 3.12416 2.09262 -65.79750 707.48900
3370.0000 -67.53613 -64.25821 3.27792 2.15715 -65.18838 766.47410
3375.0000 -67.71795 -65.05165 2.66630 2.18705 -64.90613 817.73027
3380.0000 -68.42346 -65.97841 2.44505 2.14985 -65.25728 746.30877
3385.0000 -68.40835 -65.67054 2.73781 2.08192 -65.89844 677.53234
3390.0000 -68.59118 -66.19335 2.39783 2.06893 -66.02111 695.15140
3395.0000 -68.54690 -66.01561 2.53128 2.10207 -65.70832 712.27260
3400.0000 -68.07075 -65.61901 2.45174 2.08510 -65.86847 715.41511
3405.0000 -67.62501 -64.40694 3.21807 2.16703 -65.09516 733.79740
3410.0000 -68.07647 -65.03212 3.04435 2.20959 -64.69341 812.31190
3415.0000 -67.70756 -64.94981 2.75775 2.20486 -64.73801 841.40295
3420.0000 -67.49537 -64.06736 3.42801 2.21447 -64.64731 824.73196
3425.0000 -68.47229 -65.86404 2.60825 2.23369 -64.46588 847.29927
3430.0000 -67.64171 -65.57188 2.06984 2.10292 -65.70023 703.34532
3435.0000 -67.58045 -64.73241 2.84805 2.13341 -65.41247 711.01989
3440.0000 -67.37285 -64.34489 3.02796 2.24003 -64.40603 844.15746
3445.0000 -68.43820 -66.34442 2.09379 2.09150 -65.80804 708.43009
3450.0000 -68.80227 -66.34068 2.46160 2.04894 -66.20983 640.72279
3455.0000 -67.55236 -65.18877 2.36359 2.09356 -65.78862 721.93804
3460.0000 -67.49828 -65.00224 2.49604 2.18074 -64.96571 818.43995
3465.0000 -68.15342 -65.30675 2.84667 2.19795 -64.80327 807.99475
3470.0000 -67.48258 -64.10329 3.37929 2.22964 -64.50409 804.68126
3475.0000 -68.07334 -64.62831 3.44504 2.25946 -64.22266 807.99422
3480.0000 -67.52990 -64.39649 3.13341 2.25264 -64.28699 851.87705
3485.0000 -67.39144 -64.72720 2.66424 2.16273 -65.13575 721.00882
3490.0000 -67.77053 -64.98876 2.78178 2.21432 -64.64872 830.60698
3495.0000 -67.29590 -64.58578 2.71013 2.14535 -65.29979 736.46635
3500.0000 -67.11834 -63.60145 3.51689 2.28618 -63.97047 869.15468
FREEZING PROCESS: loop number 15 T-loop= 765.00000000000000
main_MD> interactions number 15 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.24434 3.54439 2.70003
force_rgl> df(natom) -0.76740 0.74068 2.12154
3505.0000 -67.49153 -64.73303 2.75849 2.18435 -64.93162 773.39983
3510.0000 -67.94590 -65.16022 2.78568 2.17333 -65.03563 753.20244
3515.0000 -67.63318 -64.55477 3.07841 2.21836 -64.61057 818.97748
3520.0000 -68.07207 -65.18443 2.88764 2.16667 -65.09850 733.10197
3525.0000 -68.53773 -65.48940 3.04833 2.14561 -65.29729 781.40984
3530.0000 -67.58271 -64.59380 2.98891 2.18450 -64.93026 744.50058
3535.0000 -67.89882 -64.91100 2.98782 2.21904 -64.60415 734.78926
3540.0000 -68.32910 -65.67324 2.65586 2.18556 -64.92025 771.42407
3545.0000 -68.77738 -66.33961 2.43777 2.05606 -66.14260 686.72628
3550.0000 -68.45076 -65.52324 2.92751 2.06815 -66.02846 682.32370
3555.0000 -68.25636 -65.47201 2.78435 2.15429 -65.21534 805.48705
3560.0000 -68.05021 -65.25567 2.79454 2.12558 -65.48636 717.36625
3565.0000 -66.74272 -64.32448 2.41824 2.18830 -64.89431 798.87838
3570.0000 -67.84963 -65.12023 2.72940 2.23035 -64.49741 794.71100
3575.0000 -67.54931 -64.55924 2.99007 2.25102 -64.30233 883.17498
3580.0000 -69.36180 -66.67886 2.68294 2.10746 -65.65745 741.02216
3585.0000 -68.29136 -65.42048 2.87088 2.06503 -66.05792 675.77353
3590.0000 -69.00104 -66.87037 2.13067 2.02647 -66.42189 623.44803
3595.0000 -68.03208 -65.82775 2.20432 2.05399 -66.16211 646.12083
3600.0000 -67.80019 -65.08323 2.71697 2.17965 -64.97604 812.29749
3605.0000 -67.40858 -64.56865 2.83993 2.18127 -64.96066 814.28687
3610.0000 -66.96240 -63.30866 3.65374 2.30123 -63.82838 869.07737
3615.0000 -68.20265 -64.74927 3.45337 2.29540 -63.88343 846.04257
3620.0000 -67.98091 -64.95555 3.02535 2.21867 -64.60767 834.00652
3625.0000 -68.31894 -65.81336 2.50558 2.08296 -65.88863 649.04195
3630.0000 -68.17926 -65.83208 2.34718 2.07582 -65.95608 636.50632
3635.0000 -68.07918 -65.60031 2.47887 2.11044 -65.62926 663.49925
3640.0000 -67.72035 -64.37521 3.34514 2.20086 -64.77579 762.62341
3645.0000 -67.97523 -64.79106 3.18417 2.19318 -64.84826 750.76428
3650.0000 -66.16786 -63.44801 2.71986 2.25560 -64.25911 850.52306
3655.0000 -68.03122 -65.14932 2.88190 2.23001 -64.50064 827.74028
3660.0000 -67.81389 -64.25508 3.55882 2.21327 -64.65869 799.81200
3665.0000 -67.48763 -64.99936 2.48827 2.20412 -64.74499 813.33869
3670.0000 -67.72892 -64.62774 3.10118 2.20952 -64.69403 803.89055
3675.0000 -67.53109 -64.44012 3.09098 2.21395 -64.65222 773.29544
3680.0000 -66.75654 -63.99490 2.76165 2.32520 -63.60212 875.40715
3685.0000 -68.77345 -65.50042 3.27303 2.24013 -64.40511 845.10582
3690.0000 -67.94733 -65.02852 2.91880 2.17952 -64.97721 800.77438
3695.0000 -69.02781 -66.49055 2.53725 2.07624 -65.95208 696.87698
3700.0000 -67.70448 -64.13212 3.57236 2.12797 -65.46382 805.87429
3705.0000 -68.04206 -63.77041 4.27165 2.26861 -64.13625 894.67033
3710.0000 -67.36604 -64.80923 2.55682 2.26566 -64.16410 919.89891
3715.0000 -66.96935 -64.10634 2.86301 2.25255 -64.28788 809.50415
3720.0000 -67.45605 -64.72089 2.73516 2.23850 -64.42053 830.54389
3725.0000 -68.22810 -64.87042 3.35768 2.21509 -64.64144 784.28187
3730.0000 -67.05154 -63.58312 3.46842 2.21123 -64.67789 793.43495
3735.0000 -67.75341 -64.98047 2.77294 2.28247 -64.00546 865.95970
3740.0000 -68.58539 -64.75834 3.82705 2.19012 -64.87717 787.93606
3745.0000 -67.80170 -65.25898 2.54272 2.21952 -64.59965 853.73897
3750.0000 -68.92923 -66.41545 2.51378 2.09889 -65.73829 727.09843
FREEZING PROCESS: loop number 16 T-loop= 740.00000000000000
main_MD> interactions number 16 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24003 -0.40896 -0.60839
force_rgl> df(natom) 3.72615 -0.32682 -0.33538
3755.0000 -68.82528 -66.55418 2.27111 2.07261 -65.98636 738.89028
3760.0000 -68.65026 -66.55167 2.09859 2.00234 -66.64964 653.33771
3765.0000 -69.14489 -67.15932 1.98557 1.97351 -66.92176 607.46420
3770.0000 -68.93895 -65.39380 3.54515 2.02607 -66.42562 662.71094
3775.0000 -67.93186 -65.49673 2.43513 2.06571 -66.05151 679.68573
3780.0000 -69.13655 -65.86147 3.27508 2.10099 -65.71848 726.60857
3785.0000 -67.81369 -65.66922 2.14446 2.09409 -65.78358 740.76315
3790.0000 -67.98449 -65.20951 2.77498 2.16697 -65.09568 740.31201
3795.0000 -68.87149 -66.72345 2.14804 2.09358 -65.78840 709.66832
3800.0000 -68.46399 -64.97425 3.48974 2.08792 -65.84188 675.13764
3805.0000 -67.99959 -65.16594 2.83365 2.17754 -64.99591 781.91705
3810.0000 -67.63652 -65.12602 2.51050 2.12430 -65.49846 672.58442
3815.0000 -67.82885 -64.94991 2.87895 2.16015 -65.16004 708.80216
3820.0000 -68.37562 -65.43076 2.94486 2.12265 -65.51405 729.53377
3825.0000 -68.23619 -65.80431 2.43188 2.09250 -65.79861 695.06127
3830.0000 -68.04661 -65.69112 2.35549 2.10376 -65.69233 720.59530
3835.0000 -68.02325 -65.27599 2.74726 2.13204 -65.42540 710.72205
3840.0000 -67.60501 -65.04813 2.55688 2.12620 -65.48053 720.02323
3845.0000 -68.17393 -65.30438 2.86955 2.17066 -65.06090 781.04536
3850.0000 -68.83269 -66.00037 2.83233 2.12247 -65.51569 720.48972
3855.0000 -67.06193 -64.91803 2.14390 2.15099 -65.24656 748.48158
3860.0000 -67.80737 -64.38326 3.42411 2.20089 -64.77550 780.29813
3865.0000 -68.96991 -65.80841 3.16150 2.15223 -65.23485 718.78081
3870.0000 -68.56126 -65.36428 3.19698 2.10610 -65.67028 724.38672
3875.0000 -67.46560 -65.02618 2.43942 2.14299 -65.32204 728.16046
3880.0000 -68.01656 -64.70308 3.31348 2.16042 -65.15753 767.38617
3885.0000 -67.33106 -64.46197 2.86908 2.19328 -64.84733 804.98889
3890.0000 -68.02158 -65.06830 2.95328 2.22031 -64.59223 799.05999
3895.0000 -69.27352 -66.30677 2.96674 2.12141 -65.52574 758.63725
3900.0000 -68.40397 -66.23648 2.16749 2.03706 -66.32190 670.56126
3905.0000 -68.29193 -65.85677 2.43516 2.07282 -65.98436 664.95237
3910.0000 -67.65366 -64.57714 3.07652 2.18170 -64.95667 789.12362
3915.0000 -67.00753 -63.21904 3.78849 2.25314 -64.28229 863.94251
3920.0000 -67.95125 -64.00983 3.94141 2.36864 -63.19211 953.98788
3925.0000 -66.50702 -63.95623 2.55079 2.29581 -63.87953 916.32440
3930.0000 -67.44179 -63.66342 3.77836 2.32566 -63.59783 934.31053
3935.0000 -67.58525 -64.02944 3.55581 2.27171 -64.10707 864.94659
3940.0000 -68.30457 -65.33300 2.97157 2.17253 -65.04319 757.47350
3945.0000 -68.02147 -65.87171 2.14975 2.11119 -65.62221 694.99454
3950.0000 -68.07829 -65.50976 2.56853 2.06200 -66.08653 644.49616
3955.0000 -68.22796 -65.45654 2.77142 2.08269 -65.89122 709.65893
3960.0000 -68.76014 -65.98602 2.77412 2.13604 -65.38761 756.89171
3965.0000 -69.04133 -66.16640 2.87492 2.04108 -66.28401 635.76461
3970.0000 -68.81560 -65.97956 2.83603 2.13147 -65.43078 769.66669
3975.0000 -69.13911 -65.94260 3.19651 2.13297 -65.41661 768.18063
3980.0000 -68.53803 -65.98882 2.54921 2.06372 -66.07031 695.83119
3985.0000 -68.75116 -65.83810 2.91306 2.03292 -66.36096 653.27247
3990.0000 -68.88679 -65.21540 3.67139 2.08204 -65.89733 727.18215
3995.0000 -68.17257 -64.61236 3.56021 2.19510 -64.83013 823.54831
4000.0000 -68.49053 -65.67479 2.81574 2.15629 -65.19648 763.95599
FREEZING PROCESS: loop number 17 T-loop= 715.00000000000000
main_MD> interactions number 17 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.46534 -1.63734 -3.94980
force_rgl> df(natom) 0.85802 1.48041 0.73119
4005.0000 -67.74479 -65.07432 2.67047 2.11634 -65.57359 718.11449
4010.0000 -67.83779 -65.17454 2.66325 2.18909 -64.88689 771.09452
4015.0000 -68.19756 -65.69294 2.50462 2.10769 -65.65519 722.65811
4020.0000 -67.96373 -65.67617 2.28755 2.10300 -65.69948 714.27459
4025.0000 -68.69335 -65.94977 2.74358 2.12745 -65.46873 742.20242
4030.0000 -68.37990 -66.07001 2.30989 2.02237 -66.46059 623.20210
4035.0000 -69.05456 -66.68210 2.37245 1.97828 -66.87676 608.65544
4040.0000 -68.44004 -66.31855 2.12149 2.01788 -66.50293 626.92629
4045.0000 -69.09178 -66.86443 2.22734 1.98713 -66.79324 619.98750
4050.0000 -68.32689 -65.97843 2.34846 2.02945 -66.39379 628.29085
4055.0000 -68.78981 -66.23999 2.54981 2.07536 -65.96043 725.28218
4060.0000 -68.07677 -65.27271 2.80406 2.07683 -65.94655 703.04760
4065.0000 -68.31047 -65.64572 2.66476 2.13901 -65.35959 792.76502
4070.0000 -67.93853 -64.80623 3.13230 2.17662 -65.00462 805.20900
4075.0000 -68.56089 -66.03833 2.52256 2.11992 -65.53983 739.83302
4080.0000 -68.35736 -66.20354 2.15382 2.08223 -65.89553 706.05398
4085.0000 -69.07117 -65.82518 3.24599 2.04201 -66.27520 673.09634
4090.0000 -68.95136 -66.50700 2.44437 2.07259 -65.98653 708.91683
4095.0000 -69.26259 -65.71401 3.54858 2.08700 -65.85049 743.52585
4100.0000 -69.04677 -67.17823 1.86855 1.98973 -66.76871 630.48246
4105.0000 -68.55742 -65.85878 2.69864 1.97685 -66.89028 596.18845
4110.0000 -68.50911 -66.49514 2.01397 2.06270 -66.07988 679.24247
4115.0000 -67.90258 -64.95353 2.94905 2.13628 -65.38540 727.21296
4120.0000 -68.04641 -65.06789 2.97852 2.18329 -64.94168 762.58923
4125.0000 -67.74229 -65.44363 2.29866 2.17603 -65.01022 764.70036
4130.0000 -67.83652 -64.92277 2.91375 2.15714 -65.18844 740.30445
4135.0000 -68.39188 -65.75873 2.63314 2.07479 -65.96577 667.15148
4140.0000 -67.80840 -65.12339 2.68501 2.16111 -65.15096 759.19661
4145.0000 -68.30730 -65.48060 2.82669 2.10545 -65.67638 714.40626
4150.0000 -67.81182 -65.50397 2.30785 2.13102 -65.43499 713.83873
4155.0000 -68.31013 -66.02858 2.28156 2.09956 -65.73194 690.75661
4160.0000 -69.00778 -66.82477 2.18301 2.01385 -66.54100 596.35063
4165.0000 -68.60852 -65.84749 2.76103 2.03701 -66.32237 684.42692
4170.0000 -68.01243 -66.24693 1.76550 2.07844 -65.93136 697.67997
4175.0000 -68.46977 -65.69788 2.77189 2.10270 -65.70233 761.70573
4180.0000 -68.15265 -65.51922 2.63342 2.09961 -65.73154 708.63079
4185.0000 -67.79580 -65.23984 2.55596 2.10499 -65.68076 665.28420
4190.0000 -68.67448 -66.34582 2.32866 2.05831 -66.12130 659.91443
4195.0000 -68.36138 -65.82900 2.53238 2.02682 -66.41860 639.28042
4200.0000 -68.89441 -65.93469 2.95972 2.08070 -65.90996 699.53488
4205.0000 -68.63459 -66.05888 2.57571 2.06276 -66.07934 665.51547
4210.0000 -67.51630 -64.45907 3.05723 2.15100 -65.24642 750.85996
4215.0000 -68.16761 -65.72612 2.44149 2.17034 -65.06385 761.26622
4220.0000 -69.16784 -67.20292 1.96492 2.04610 -66.23659 661.53273
4225.0000 -68.13846 -66.05386 2.08459 2.02101 -66.47340 626.22243
4230.0000 -69.02251 -65.67671 3.34580 2.06721 -66.03735 677.74944
4235.0000 -69.08452 -66.07749 3.00703 2.08563 -65.86344 696.65927
4240.0000 -68.36938 -65.65719 2.71219 2.05108 -66.18960 685.59240
4245.0000 -68.06845 -65.55173 2.51673 2.12418 -65.49961 734.42320
4250.0000 -68.30536 -66.11426 2.19110 2.11309 -65.60430 723.20785
FREEZING PROCESS: loop number 18 T-loop= 690.00000000000000
main_MD> interactions number 18 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56491 0.46066 0.85970
force_rgl> df(natom) -4.25602 0.32434 3.29862
4255.0000 -69.27653 -66.38665 2.88988 2.06492 -66.05900 680.40337
4260.0000 -69.06667 -66.14436 2.92231 2.03464 -66.34473 690.61455
4265.0000 -68.10765 -65.13897 2.96868 2.08793 -65.84180 719.17005
4270.0000 -68.23970 -65.52263 2.71707 2.13555 -65.39226 729.04584
4275.0000 -67.63666 -65.61014 2.02653 2.14305 -65.32151 708.16461
4280.0000 -68.23917 -65.99282 2.24635 2.11611 -65.57580 661.58193
4285.0000 -68.76123 -66.52357 2.23767 2.01352 -66.54411 617.87211
4290.0000 -68.81395 -65.68422 3.12973 2.05620 -66.14126 672.82916
4295.0000 -68.29268 -66.10313 2.18955 2.17394 -65.02992 817.22390
4300.0000 -68.06080 -65.78932 2.27148 2.06540 -66.05440 661.89487
4305.0000 -68.62928 -66.15492 2.47436 2.06299 -66.07719 657.71000
4310.0000 -68.29650 -65.24414 3.05236 2.08532 -65.86642 689.07973
4315.0000 -67.89267 -65.69303 2.19964 2.15869 -65.17386 736.46229
4320.0000 -68.86034 -65.90956 2.95079 2.07749 -65.94028 704.62405
4325.0000 -68.86863 -66.40131 2.46732 2.02872 -66.40065 638.04451
4330.0000 -68.90690 -65.83874 3.06816 2.07959 -65.92051 706.84109
4335.0000 -68.75299 -66.40023 2.35276 2.04093 -66.28540 676.38832
4340.0000 -68.36536 -65.62560 2.73976 2.10290 -65.70048 695.74001
4345.0000 -68.40735 -66.28218 2.12517 2.08238 -65.89414 668.77174
4350.0000 -68.44145 -65.98632 2.45514 2.07914 -65.92469 667.78460
4355.0000 -68.31321 -65.47464 2.83857 2.07385 -65.97469 678.76680
4360.0000 -68.12506 -65.60938 2.51567 2.15525 -65.20628 776.99528
4365.0000 -68.13189 -65.46538 2.66651 2.11025 -65.63108 737.39658
4370.0000 -68.37323 -65.25511 3.11812 2.15154 -65.24137 787.55310
4375.0000 -68.56864 -65.64300 2.92565 2.15435 -65.21484 764.43509
4380.0000 -68.17886 -65.15564 3.02322 2.12070 -65.53244 732.04828
4385.0000 -68.72152 -66.36944 2.35208 2.10461 -65.68435 750.62087
4390.0000 -68.63847 -65.91953 2.71893 2.03533 -66.33823 627.10631
4395.0000 -68.08728 -65.32325 2.76403 2.12600 -65.48242 722.67050
4400.0000 -68.50224 -66.45969 2.04255 2.05135 -66.18707 661.16305
4405.0000 -68.31572 -65.85952 2.45620 2.07422 -65.97114 666.30753
4410.0000 -68.62478 -66.32479 2.29999 2.02613 -66.42510 648.34764
4415.0000 -69.02612 -67.29157 1.73455 1.96847 -66.96933 580.65183
4420.0000 -68.36470 -65.67806 2.68664 2.01828 -66.49915 610.27689
4425.0000 -68.48619 -65.45912 3.02708 2.12363 -65.50475 738.09504
4430.0000 -68.61293 -66.19902 2.41391 2.08983 -65.82379 680.23912
4435.0000 -68.83220 -66.53144 2.30076 1.99854 -66.68555 613.11061
4440.0000 -68.71882 -66.12408 2.59474 2.03571 -66.33468 658.59384
4445.0000 -68.91078 -66.53404 2.37674 2.03121 -66.37715 680.75145
4450.0000 -68.13564 -65.06488 3.07076 2.08411 -65.87778 687.58911
4455.0000 -67.39319 -64.82978 2.56341 2.20702 -64.71763 773.18503
4460.0000 -68.57185 -65.47972 3.09212 2.18437 -64.93148 796.36183
4465.0000 -68.11787 -65.61889 2.49898 2.15834 -65.17719 776.58532
4470.0000 -67.92422 -65.30723 2.61699 2.13878 -65.36175 737.95378
4475.0000 -69.30945 -67.08062 2.22882 2.06194 -66.08705 690.08358
4480.0000 -68.18483 -65.40220 2.78263 2.06204 -66.08611 667.53228
4485.0000 -68.94025 -66.34474 2.59551 2.09400 -65.78448 720.04509
4490.0000 -69.06698 -66.72903 2.33795 2.02316 -66.45315 643.88364
4495.0000 -69.15833 -66.94127 2.21706 2.00346 -66.63911 612.03772
4500.0000 -69.15808 -66.97230 2.18579 2.01737 -66.50774 622.07119
FREEZING PROCESS: loop number 19 T-loop= 665.00000000000000
main_MD> interactions number 19 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.44592 -0.31616 -1.44875
force_rgl> df(natom) -1.42459 0.20494 1.66354
4505.0000 -68.94521 -66.60032 2.34489 1.99615 -66.70812 618.78831
4510.0000 -68.69729 -65.93890 2.75839 2.06496 -66.05861 697.69912
4515.0000 -68.31750 -65.77825 2.53925 2.07032 -66.00799 664.20408
4520.0000 -69.31447 -66.19004 3.12443 2.06946 -66.01610 668.90623
4525.0000 -69.11263 -66.88972 2.22291 2.03355 -66.35508 668.10615
4530.0000 -68.76093 -66.93193 1.82900 2.04068 -66.28771 679.38175
4535.0000 -68.92547 -67.10856 1.81691 1.98159 -66.84550 610.37829
4540.0000 -68.65666 -66.22931 2.42735 2.01265 -66.55232 645.43234
4545.0000 -69.81562 -67.27807 2.53755 1.99953 -66.67617 660.24510
4550.0000 -68.49409 -66.39437 2.09972 1.99114 -66.75540 629.76294
4555.0000 -68.98556 -67.21125 1.77431 2.01049 -66.57276 645.74783
4560.0000 -68.66628 -66.97469 1.69159 1.99586 -66.71084 631.69370
4565.0000 -69.14792 -66.89604 2.25189 1.97558 -66.90220 607.88794
4570.0000 -68.76796 -66.51943 2.24853 2.02677 -66.41908 646.68470
4575.0000 -68.91014 -66.31161 2.59853 2.04206 -66.27476 676.53661
4580.0000 -69.00441 -66.29628 2.70812 2.09212 -65.80221 736.80870
4585.0000 -68.81944 -66.17783 2.64161 2.05537 -66.14906 701.20654
4590.0000 -68.47035 -65.55507 2.91527 2.05028 -66.19714 644.48106
4595.0000 -68.21647 -65.57800 2.63847 2.09405 -65.78398 695.59652
4600.0000 -67.00288 -64.05001 2.95286 2.14211 -65.33035 775.72809
4605.0000 -68.37016 -65.55635 2.81381 2.17676 -65.00330 737.79574
4610.0000 -68.54887 -66.21843 2.33044 2.10705 -65.66126 689.62653
4615.0000 -68.63754 -66.35951 2.27802 2.06726 -66.03687 678.19791
4620.0000 -69.42331 -66.67485 2.74845 2.06075 -66.09828 684.82076
4625.0000 -68.70058 -66.50665 2.19392 2.00268 -66.64647 617.16513
4630.0000 -68.73375 -66.19782 2.53593 2.03067 -66.38228 646.60486
4635.0000 -68.41895 -65.93482 2.48413 2.03459 -66.34521 639.45646
4640.0000 -68.50129 -66.87389 1.62740 2.03339 -66.35657 652.28098
4645.0000 -68.81912 -66.80884 2.01028 1.96074 -67.04233 598.54149
4650.0000 -68.02409 -65.52355 2.50054 2.01561 -66.52442 629.96054
4655.0000 -68.41342 -66.04655 2.36687 2.11153 -65.61903 703.04315
4660.0000 -68.43971 -66.10641 2.33331 2.06498 -66.05836 680.59167
4665.0000 -68.42700 -65.53494 2.89206 2.08305 -65.88781 720.81679
4670.0000 -69.39356 -67.12879 2.26477 2.06138 -66.09235 688.63924
4675.0000 -69.19767 -66.77078 2.42690 1.92845 -67.34709 557.23336
4680.0000 -68.97105 -66.24234 2.72871 1.99016 -66.76460 607.50554
4685.0000 -69.13795 -65.47575 3.66220 2.11804 -65.55758 716.39493
4690.0000 -68.78529 -66.14539 2.63990 2.11707 -65.56670 731.43537
4695.0000 -67.82421 -65.69157 2.13264 2.10843 -65.64825 721.43303
4700.0000 -69.69072 -68.05266 1.63806 1.95183 -67.12642 590.82189
4705.0000 -68.87297 -66.66311 2.20986 1.93639 -67.27213 540.26473
4710.0000 -68.23199 -66.21685 2.01515 2.03768 -66.31604 673.57143
4715.0000 -68.66942 -65.67021 2.99921 2.08073 -65.90972 713.28955
4720.0000 -69.03962 -66.66349 2.37613 2.02156 -66.46825 639.65834
4725.0000 -68.84888 -65.51948 3.32941 2.07445 -65.96900 711.00320
4730.0000 -68.36263 -65.92663 2.43600 2.09623 -65.76336 708.32867
4735.0000 -68.61186 -66.22997 2.38189 2.04752 -66.22322 661.77606
4740.0000 -68.32873 -66.41926 1.90947 2.07199 -65.99220 672.39988
4745.0000 -68.18295 -65.83823 2.34472 2.04813 -66.21740 629.75704
4750.0000 -68.15976 -65.22834 2.93143 2.10830 -65.64944 667.73168
FREEZING PROCESS: loop number 20 T-loop= 640.00000000000000
main_MD> interactions number 20 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.95797 -1.99154 1.33704
force_rgl> df(natom) -0.26395 0.99184 -0.49398
4755.0000 -69.43956 -66.65848 2.78108 2.06169 -66.08943 689.97989
4760.0000 -69.34003 -67.32009 2.01993 1.98172 -66.84429 594.46970
4765.0000 -68.93464 -66.52969 2.40495 1.96385 -67.01299 573.16447
4770.0000 -68.70076 -66.11329 2.58747 2.02456 -66.43995 644.70011
4775.0000 -68.46070 -66.15634 2.30436 2.07502 -65.96358 680.25668
4780.0000 -68.43797 -65.74194 2.69603 2.06744 -66.03514 650.70149
4785.0000 -69.29476 -67.55097 1.74379 2.01314 -66.54774 637.56655
4790.0000 -69.04902 -67.34972 1.69931 1.90749 -67.54493 526.50861
4795.0000 -68.41621 -66.09857 2.31764 2.01556 -66.52485 607.37054
4800.0000 -68.81544 -66.82858 1.98686 2.02369 -66.44808 630.17766
4805.0000 -69.01275 -66.56609 2.44666 1.97827 -66.87686 589.85642
4810.0000 -68.44447 -66.57883 1.86564 2.02465 -66.43904 637.86141
4815.0000 -67.71845 -65.34925 2.36920 2.11646 -65.57241 712.91991
4820.0000 -68.27033 -65.52789 2.74244 2.07108 -66.00076 684.06380
4825.0000 -68.70117 -66.38220 2.31898 2.06281 -66.07890 699.25100
4830.0000 -68.06362 -65.40521 2.65841 2.05071 -66.19310 666.36869
4835.0000 -68.18977 -64.99867 3.19110 2.11354 -65.59998 764.72454
4840.0000 -68.85439 -65.18463 3.66976 2.15038 -65.25232 818.32479
4845.0000 -67.34672 -64.74762 2.59910 2.14625 -65.29126 750.07093
4850.0000 -66.79510 -64.32766 2.46745 2.20835 -64.70509 786.49426
4855.0000 -68.88058 -66.39826 2.48232 2.14703 -65.28393 798.51126
4860.0000 -68.72854 -66.30797 2.42057 2.07997 -65.91693 660.34204
4865.0000 -68.77231 -66.04413 2.72818 2.04914 -66.20786 640.93134
4870.0000 -67.91356 -65.60517 2.30839 2.09729 -65.75338 705.04401
4875.0000 -68.91129 -66.33294 2.57835 2.08243 -65.89366 705.29515
4880.0000 -69.57262 -67.14585 2.42677 1.96951 -66.95952 608.64126
4885.0000 -68.90145 -66.79798 2.10347 1.95132 -67.13122 577.72054
4890.0000 -69.69782 -67.49781 2.20001 1.91701 -67.45505 546.48773
4895.0000 -69.12066 -66.79153 2.32913 1.95274 -67.11787 590.16160
4900.0000 -68.33579 -65.94462 2.39117 2.06710 -66.03833 680.41406
4905.0000 -68.53421 -65.83025 2.70396 2.09464 -65.77839 732.31429
4910.0000 -69.04449 -66.69582 2.34866 2.05162 -66.18450 655.38080
4915.0000 -68.99140 -66.75029 2.24110 1.98913 -66.77435 584.08388
4920.0000 -68.53035 -66.35396 2.17639 2.00209 -66.65198 629.35874
4925.0000 -68.38526 -65.50897 2.87629 2.09999 -65.72796 717.13086
4930.0000 -67.45830 -64.95668 2.50163 2.14158 -65.33534 690.74685
4935.0000 -68.96372 -66.24461 2.71911 2.10191 -65.70979 704.66414
4940.0000 -68.66279 -66.83312 1.82967 1.98457 -66.81736 570.79722
4945.0000 -69.17248 -67.53380 1.63867 1.95643 -67.08304 526.45442
4950.0000 -69.43835 -67.28556 2.15280 1.93510 -67.28437 554.50209
4955.0000 -68.92848 -66.34169 2.58679 1.99170 -66.75006 629.61035
4960.0000 -69.33667 -67.13848 2.19819 1.97545 -66.90348 608.51426
4965.0000 -68.00736 -65.56798 2.43938 2.03345 -66.35603 605.51902
4970.0000 -67.87337 -65.79676 2.07661 2.10290 -65.70049 653.23063
4975.0000 -68.01565 -66.38574 1.62991 2.08257 -65.89238 649.19677
4980.0000 -69.06182 -65.91601 3.14581 2.08258 -65.89230 654.31951
4985.0000 -68.54200 -66.70511 1.83689 2.07780 -65.93737 710.59410
4990.0000 -69.56006 -67.20407 2.35599 1.96751 -66.97838 584.65738
4995.0000 -68.82210 -66.64522 2.17688 2.02234 -66.46089 660.40378
5000.0000 -68.50604 -66.35361 2.15243 2.00770 -66.59904 624.45210
FREEZING PROCESS: loop number 21 T-loop= 615.00000000000000
main_MD> interactions number 21 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.89751 2.84408 1.96832
force_rgl> df(natom) -0.88467 -1.61689 -1.44017
5005.0000 -69.12752 -66.76069 2.36683 1.99764 -66.69401 573.98868
5010.0000 -69.37652 -66.73817 2.63835 2.00634 -66.61186 645.77328
5015.0000 -69.75312 -68.22181 1.53131 1.96672 -66.98584 584.69730
5020.0000 -69.41769 -67.23911 2.17858 1.90538 -67.56487 557.84312
5025.0000 -69.56016 -67.59259 1.96757 1.93060 -67.32679 560.29621
5030.0000 -69.06859 -67.39380 1.67478 1.91660 -67.45896 528.41998
5035.0000 -69.15460 -67.31638 1.83823 1.92104 -67.41709 518.80744
5040.0000 -68.51696 -66.00138 2.51558 1.98157 -66.84574 573.43856
5045.0000 -68.71387 -66.56383 2.15003 2.03519 -66.33955 610.65306
5050.0000 -68.99705 -67.09674 1.90031 1.95016 -67.14215 562.54144
5055.0000 -69.33300 -67.63009 1.70292 1.97030 -66.95205 586.39380
5060.0000 -69.19791 -67.02402 2.17389 1.92814 -67.35008 577.60437
5065.0000 -69.36354 -67.66264 1.70089 1.94185 -67.22067 562.58366
5070.0000 -69.99414 -67.77422 2.21992 1.90769 -67.54306 557.11085
5075.0000 -68.87523 -67.20372 1.67151 1.90213 -67.59552 540.90867
5080.0000 -69.00709 -67.03553 1.97156 1.95449 -67.10134 560.22362
5085.0000 -69.38609 -67.26247 2.12362 1.92441 -67.38522 589.04865
5090.0000 -69.77014 -67.74156 2.02858 1.91172 -67.50505 545.57739
5095.0000 -69.34923 -66.67764 2.67159 1.92738 -67.35723 559.76168
5100.0000 -69.02651 -66.92420 2.10231 1.99834 -66.68738 632.55778
5105.0000 -69.67319 -67.62494 2.04825 1.91965 -67.43013 567.03141
5110.0000 -69.55060 -67.50898 2.04162 1.92178 -67.41010 574.12265
5115.0000 -69.09540 -66.95735 2.13805 1.94640 -67.17767 553.69907
5120.0000 -69.43364 -66.99532 2.43833 1.94046 -67.23371 571.47594
5125.0000 -69.40867 -66.66376 2.74491 2.00785 -66.59761 666.06351
5130.0000 -69.24645 -67.16810 2.07835 1.91380 -67.48535 548.68518
5135.0000 -69.90868 -67.43926 2.46941 1.97542 -66.90372 597.80265
5140.0000 -68.97285 -66.77491 2.19795 1.97125 -66.94307 606.57491
5145.0000 -68.80897 -66.20300 2.60598 2.02190 -66.46503 671.49514
5150.0000 -68.21113 -65.71847 2.49267 2.07087 -66.00278 682.25633
5155.0000 -68.90128 -66.38748 2.51380 2.07311 -65.98165 674.55688
5160.0000 -70.02397 -67.59647 2.42750 1.98020 -66.85865 612.65468
5165.0000 -68.14777 -66.34801 1.79976 1.94509 -67.19007 552.33814
5170.0000 -68.05147 -65.45587 2.59560 2.05883 -66.11640 647.65617
5175.0000 -68.20775 -64.89279 3.31496 2.14666 -65.28741 755.93283
5180.0000 -69.12381 -66.79952 2.32429 2.07375 -65.97565 704.10826
5185.0000 -68.97590 -66.58250 2.39340 1.99431 -66.72543 606.37562
5190.0000 -68.28540 -66.86342 1.42198 2.02074 -66.47595 611.25198
5195.0000 -69.27059 -67.13474 2.13585 1.98472 -66.81593 558.51633
5200.0000 -69.64332 -66.67357 2.96975 1.99958 -66.67566 639.22529
5205.0000 -68.08355 -66.11894 1.96461 2.05580 -66.14505 652.85442
5210.0000 -69.03678 -66.72201 2.31477 2.03340 -66.35648 662.84528
5215.0000 -69.26270 -66.95612 2.30657 1.99161 -66.75091 620.83948
5220.0000 -69.34608 -67.04632 2.29976 1.95402 -67.10575 573.33650
5225.0000 -69.32090 -67.22477 2.09613 1.93499 -67.28542 533.47389
5230.0000 -69.59791 -67.69643 1.90148 1.93599 -67.27593 543.51053
5235.0000 -69.22805 -67.44321 1.78484 1.94130 -67.22581 576.70830
5240.0000 -69.14741 -67.56575 1.58166 1.91416 -67.48197 506.03091
5245.0000 -68.57278 -65.92382 2.64896 2.02600 -66.42634 620.93476
5250.0000 -68.12385 -65.28380 2.84005 2.13176 -65.42804 759.42338
FREEZING PROCESS: loop number 22 T-loop= 590.00000000000000
main_MD> interactions number 22 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83485 1.95286 0.64316
force_rgl> df(natom) 0.74008 -0.02565 -0.70441
5255.0000 -69.10962 -66.81209 2.29753 2.09524 -65.77280 696.14806
5260.0000 -68.54318 -66.04111 2.50207 1.99973 -66.67433 628.33035
5265.0000 -68.38469 -66.35184 2.03286 2.07115 -66.00010 708.37418
5270.0000 -68.41812 -66.34829 2.06983 2.02175 -66.46641 634.03408
5275.0000 -68.67372 -66.39832 2.27539 2.05650 -66.13846 655.51364
5280.0000 -68.76109 -66.06936 2.69173 2.04477 -66.24915 643.41763
5285.0000 -68.25851 -65.54774 2.71077 2.11874 -65.55098 698.87598
5290.0000 -68.13003 -66.25442 1.87560 2.09140 -65.80904 694.49262
5295.0000 -69.48435 -67.04309 2.44125 2.02429 -66.44249 635.29916
5300.0000 -68.76140 -66.44374 2.31766 2.01578 -66.52276 642.85122
5305.0000 -69.24607 -66.37605 2.87002 1.99682 -66.70173 610.63715
5310.0000 -68.97834 -66.27199 2.70635 2.00294 -66.64403 607.11805
5315.0000 -68.93009 -66.15627 2.77381 2.04668 -66.23111 641.73506
5320.0000 -69.25317 -67.14505 2.10812 2.00202 -66.65270 580.58787
5325.0000 -69.26530 -66.40295 2.86235 1.97330 -66.92380 559.49211
5330.0000 -69.55399 -67.36876 2.18523 1.97221 -66.93401 594.47415
5335.0000 -69.47707 -67.53838 1.93869 1.92177 -67.41015 521.06738
5340.0000 -69.58018 -66.82852 2.75166 1.95079 -67.13628 586.79394
5345.0000 -69.75694 -66.85340 2.90353 1.97651 -66.89350 583.93571
5350.0000 -69.44145 -67.12583 2.31562 1.96744 -66.97905 587.96810
5355.0000 -69.50149 -67.36573 2.13577 1.94947 -67.14868 552.61658
5360.0000 -69.50210 -66.88924 2.61286 1.94368 -67.20337 588.07250
5365.0000 -69.48838 -67.14234 2.34603 1.99285 -66.73925 640.77355
5370.0000 -69.02338 -67.14006 1.88332 1.93549 -67.28062 558.76033
5375.0000 -68.08895 -65.73392 2.35502 2.01031 -66.57439 639.83784
5380.0000 -69.70494 -67.08015 2.62479 2.04034 -66.29095 651.01024
5385.0000 -69.77742 -67.51962 2.25781 1.93923 -67.24534 588.17121
5390.0000 -69.79338 -67.49594 2.29743 1.90037 -67.61219 545.20037
5395.0000 -69.48609 -67.42213 2.06395 1.89516 -67.66134 544.31411
5400.0000 -68.77860 -66.67335 2.10525 2.00776 -66.59846 613.77518
5405.0000 -68.87088 -66.95602 1.91486 1.98261 -66.83592 597.58830
5410.0000 -69.58949 -67.65268 1.93682 1.96063 -67.04340 557.80847
5415.0000 -68.71193 -66.11978 2.59215 1.98061 -66.85476 601.74113
5420.0000 -69.74527 -67.63211 2.11316 1.95748 -67.07305 551.45367
5425.0000 -69.00342 -66.70692 2.29650 1.94859 -67.15705 536.41865
5430.0000 -69.24139 -66.94249 2.29889 1.99667 -66.70320 590.22539
5435.0000 -69.27788 -66.86574 2.41213 1.99743 -66.69604 631.94110
5440.0000 -68.83359 -66.91716 1.91643 1.95450 -67.10125 566.44366
5445.0000 -68.70596 -66.67152 2.03443 1.98008 -66.85976 576.89675
5450.0000 -68.92366 -66.70157 2.22209 1.97664 -66.89222 577.01140
5455.0000 -68.65729 -66.31482 2.34247 2.02333 -66.45151 650.26492
5460.0000 -69.47133 -66.80044 2.67090 2.00328 -66.64075 631.72486
5465.0000 -69.43530 -67.17963 2.25568 1.98584 -66.80541 628.27631
5470.0000 -68.78308 -65.99657 2.78652 2.00220 -66.65094 626.33579
5475.0000 -67.89448 -66.16961 1.72487 2.05190 -66.18184 653.58905
5480.0000 -68.41301 -66.12583 2.28719 2.05669 -66.13667 663.72954
5485.0000 -69.58169 -67.44666 2.13503 2.00752 -66.60071 628.13426
5490.0000 -69.29732 -67.80148 1.49584 1.90647 -67.55460 499.05824
5495.0000 -69.62017 -67.27056 2.34961 1.88813 -67.72767 504.39402
5500.0000 -68.71490 -66.28236 2.43253 1.98127 -66.84852 602.05930
FREEZING PROCESS: loop number 23 T-loop= 565.00000000000000
main_MD> interactions number 23 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.71005 -1.31914 -0.74476
force_rgl> df(natom) 2.36355 3.94443 -1.06377
5505.0000 -69.43612 -67.55500 1.88112 1.94956 -67.14785 557.85473
5510.0000 -69.45693 -67.46408 1.99285 1.90198 -67.59696 523.43891
5515.0000 -69.59417 -67.58162 2.01254 1.94726 -67.16960 563.82873
5520.0000 -70.00876 -67.96306 2.04570 1.89555 -67.65761 535.99600
5525.0000 -69.97013 -67.25828 2.71185 1.91198 -67.50255 550.64370
5530.0000 -69.09932 -67.30348 1.79584 1.89934 -67.62185 524.73397
5535.0000 -69.41627 -67.44759 1.96868 1.93318 -67.30245 547.72073
5540.0000 -70.10884 -67.91988 2.18896 1.89259 -67.68556 527.19033
5545.0000 -69.62898 -67.17297 2.45601 1.92475 -67.38207 566.04262
5550.0000 -70.06422 -68.03904 2.02518 1.91413 -67.48225 540.39463
5555.0000 -69.96504 -67.59832 2.36672 1.89019 -67.70829 505.88849
5560.0000 -69.68283 -67.77703 1.90580 1.93086 -67.32432 579.16690
5565.0000 -69.37502 -67.78009 1.59493 1.89392 -67.67308 511.05394
5570.0000 -69.74011 -67.47337 2.26674 1.93093 -67.32366 543.30158
5575.0000 -69.53429 -67.80082 1.73346 1.94011 -67.23702 568.61211
5580.0000 -69.81868 -67.68952 2.12916 1.88640 -67.74400 496.46550
5585.0000 -69.53791 -67.32446 2.21346 1.91463 -67.47757 555.84131
5590.0000 -68.90034 -67.02827 1.87207 1.95466 -67.09970 588.72626
5595.0000 -69.11796 -67.33040 1.78756 1.91217 -67.50078 531.57377
5600.0000 -69.80067 -67.69005 2.11062 1.90157 -67.60085 510.12391
5605.0000 -69.51593 -67.19586 2.32008 1.90520 -67.56656 531.36252
5610.0000 -69.50431 -67.30175 2.20256 1.93051 -67.32767 551.86620
5615.0000 -69.62282 -67.77503 1.84779 1.92099 -67.41752 540.53043
5620.0000 -69.04631 -66.98779 2.05852 1.97603 -66.89795 593.63648
5625.0000 -68.86813 -66.78206 2.08607 1.95095 -67.13476 577.28969
5630.0000 -69.61731 -67.82703 1.79028 1.92699 -67.36092 523.35260
5635.0000 -69.38601 -67.54335 1.84266 1.90056 -67.61035 535.37201
5640.0000 -69.57500 -67.48249 2.09251 1.90400 -67.57788 550.52237
5645.0000 -69.39461 -66.74256 2.65204 1.92750 -67.35612 562.54055
5650.0000 -69.35324 -67.53283 1.82042 1.95834 -67.06495 596.56859
5655.0000 -69.30220 -67.08072 2.22147 1.92448 -67.38462 541.03443
5660.0000 -69.08392 -67.22140 1.86253 1.99453 -66.72338 587.60213
5665.0000 -68.99465 -66.71254 2.28211 1.97474 -66.91017 551.29526
5670.0000 -68.51421 -65.69546 2.81875 2.05996 -66.10580 642.85897
5675.0000 -69.58341 -66.80799 2.77542 2.03793 -66.31375 652.92917
5680.0000 -69.24300 -66.87176 2.37123 2.01352 -66.54413 662.14796
5685.0000 -69.95394 -67.72658 2.22736 1.93223 -67.31140 579.66949
5690.0000 -69.44030 -67.30494 2.13535 1.90639 -67.55530 541.36616
5695.0000 -69.01433 -66.61024 2.40409 1.96952 -66.95940 593.11562
5700.0000 -68.75860 -66.56772 2.19088 2.00477 -66.62672 636.73552
5705.0000 -69.34022 -67.26478 2.07543 1.96369 -67.01445 547.68135
5710.0000 -69.32431 -67.45458 1.86973 1.92263 -67.40208 519.66251
5715.0000 -69.99961 -68.10795 1.89165 1.83316 -68.24657 459.09309
5720.0000 -69.86843 -68.17180 1.69663 1.84191 -68.16397 493.16889
5725.0000 -69.98608 -68.47738 1.50870 1.85275 -68.06167 497.52000
5730.0000 -68.77190 -66.96715 1.80475 1.89775 -67.63686 543.30245
5735.0000 -69.83589 -67.61878 2.21711 1.93160 -67.31742 571.49213
5740.0000 -68.92394 -67.34269 1.58125 1.93063 -67.32650 548.75672
5745.0000 -69.18874 -67.10482 2.08392 1.95415 -67.10448 561.33652
5750.0000 -69.12032 -66.87788 2.24244 1.95525 -67.09413 561.16161
FREEZING PROCESS: loop number 24 T-loop= 540.00000000000000
main_MD> interactions number 24 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66106 -2.16484 1.26315
force_rgl> df(natom) -1.76849 -0.24377 -1.34558
5755.0000 -69.40566 -67.13490 2.27076 1.92740 -67.35704 558.71566
5760.0000 -68.99319 -66.48489 2.50830 1.96275 -67.02331 596.99415
5765.0000 -69.18583 -67.31427 1.87157 1.96554 -66.99699 571.44910
5770.0000 -68.92509 -67.23219 1.69290 1.93834 -67.25380 546.69247
5775.0000 -68.94336 -66.73013 2.21323 1.97649 -66.89363 605.40157
5780.0000 -69.30427 -67.37058 1.93369 1.96617 -66.99107 622.48151
5785.0000 -70.33329 -67.76730 2.56598 1.88197 -67.78582 538.39964
5790.0000 -69.77409 -67.75845 2.01563 1.88156 -67.78973 537.37161
5795.0000 -69.27918 -67.26208 2.01710 1.90080 -67.60806 529.17613
5800.0000 -69.44957 -67.63051 1.81906 1.89925 -67.62278 528.57108
5805.0000 -69.80087 -67.32961 2.47125 1.93866 -67.25071 596.17939
5810.0000 -70.14249 -67.89151 2.25097 1.90168 -67.59980 551.82249
5815.0000 -69.89693 -67.51958 2.37735 1.91267 -67.49603 545.15684
5820.0000 -70.22319 -68.42405 1.79914 1.88045 -67.80014 494.20426
5825.0000 -69.74341 -67.78199 1.96143 1.84536 -68.13141 484.34605
5830.0000 -69.38378 -67.58598 1.79780 1.91058 -67.51577 545.59213
5835.0000 -69.50500 -67.66827 1.83673 1.88765 -67.73220 499.16040
5840.0000 -70.03431 -68.09174 1.94257 1.89950 -67.62034 538.06994
5845.0000 -69.92953 -67.80175 2.12778 1.86593 -67.93722 495.48791
5850.0000 -69.86230 -67.91255 1.94975 1.89203 -67.69087 515.34535
5855.0000 -69.48852 -67.49364 1.99488 1.89562 -67.65697 489.77874
5860.0000 -69.15129 -67.18414 1.96715 1.92591 -67.37106 520.70782
5865.0000 -70.12684 -67.94626 2.18058 1.89415 -67.67083 498.20474
5870.0000 -70.13299 -68.44170 1.69129 1.82963 -68.27987 452.40540
5875.0000 -69.51001 -67.38271 2.12730 1.86548 -67.94148 501.68988
5880.0000 -69.79246 -67.50041 2.29204 1.88335 -67.77284 514.14565
5885.0000 -69.17187 -66.66393 2.50794 1.95078 -67.13638 588.35803
5890.0000 -69.51293 -66.90884 2.60409 1.99367 -66.73145 635.61547
5895.0000 -68.90459 -67.02692 1.87768 1.96986 -66.95628 626.35131
5900.0000 -69.58881 -68.05483 1.53398 1.93591 -67.27674 553.77255
5905.0000 -69.50667 -68.34287 1.16380 1.84240 -68.15930 483.40700
5910.0000 -70.02399 -68.12871 1.89527 1.81309 -68.43603 441.64054
5915.0000 -70.02693 -68.59360 1.43333 1.81377 -68.42961 451.69437
5920.0000 -70.31631 -68.53328 1.78303 1.80190 -68.54165 437.87446
5925.0000 -69.86139 -68.15792 1.70347 1.84855 -68.10128 484.53208
5930.0000 -69.90590 -68.15990 1.74600 1.85907 -68.00203 485.42706
5935.0000 -69.18357 -67.67130 1.51227 1.88982 -67.71176 498.92468
5940.0000 -68.91789 -67.33126 1.58664 1.89485 -67.66428 523.30603
5945.0000 -68.87335 -67.07828 1.79506 1.96797 -66.97403 589.63972
5950.0000 -69.30032 -67.77643 1.52389 1.93404 -67.29436 548.13970
5955.0000 -69.37299 -67.86735 1.50563 1.88125 -67.79263 505.24874
5960.0000 -69.63098 -67.67249 1.95849 1.90211 -67.59576 527.02571
5965.0000 -69.53742 -67.59757 1.93984 1.89086 -67.70194 507.90201
5970.0000 -68.88025 -66.97816 1.90209 1.92584 -67.37176 529.95691
5975.0000 -69.37460 -67.58925 1.78535 1.92256 -67.40267 535.93048
5980.0000 -69.30801 -67.13273 2.17528 1.96514 -67.00079 562.75530
5985.0000 -69.42449 -67.11999 2.30450 1.95405 -67.10548 560.09622
5990.0000 -69.11332 -66.78678 2.32654 1.98254 -66.83656 613.51793
5995.0000 -69.32035 -67.26190 2.05845 1.97425 -66.91481 601.26616
6000.0000 -69.15877 -67.43201 1.72676 1.91704 -67.45479 535.54611
FREEZING PROCESS: loop number 25 T-loop= 515.00000000000000
main_MD> interactions number 25 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85640 1.03841 -1.26587
force_rgl> df(natom) -0.63295 -3.30159 1.74856
6005.0000 -68.86891 -66.59918 2.26973 1.93899 -67.24761 555.25718
6010.0000 -69.60281 -67.40831 2.19450 1.95771 -67.07089 561.12359
6015.0000 -69.90846 -67.62782 2.28064 1.90557 -67.56312 543.22470
6020.0000 -69.80680 -67.71010 2.09671 1.88635 -67.74448 525.63385
6025.0000 -69.81262 -67.84755 1.96506 1.88583 -67.74944 518.67538
6030.0000 -69.60746 -67.44160 2.16587 1.89094 -67.70118 532.99590
6035.0000 -68.94922 -66.88860 2.06062 1.96811 -66.97279 609.69484
6040.0000 -69.36598 -67.62026 1.74572 1.92404 -67.38871 527.18309
6045.0000 -69.85202 -67.96107 1.89095 1.88723 -67.73624 499.74439
6050.0000 -69.92873 -67.63656 2.29217 1.86211 -67.97332 477.89872
6055.0000 -69.54957 -67.61846 1.93112 1.88234 -67.78235 512.44044
6060.0000 -69.32780 -67.82259 1.50521 1.90513 -67.56721 545.71126
6065.0000 -69.40503 -67.17544 2.22960 1.94065 -67.23195 570.80293
6070.0000 -69.79711 -68.13232 1.66479 1.89013 -67.70884 515.05246
6075.0000 -69.89547 -67.97574 1.91973 1.90021 -67.61365 522.22195
6080.0000 -68.81842 -67.26531 1.55312 1.87403 -67.86074 498.03522
6085.0000 -69.19056 -67.50759 1.68297 1.91421 -67.48153 493.30655
6090.0000 -68.89052 -66.73075 2.15977 1.95226 -67.12234 548.12062
6095.0000 -68.36465 -66.49336 1.87128 2.00744 -66.60147 608.16316
6100.0000 -69.21545 -66.92399 2.29146 1.96455 -67.00638 583.67535
6105.0000 -69.66911 -68.33979 1.32933 1.88110 -67.79402 485.75390
6110.0000 -69.48375 -67.89306 1.59069 1.84712 -68.11476 455.94322
6115.0000 -69.52394 -67.53281 1.99113 1.90248 -67.59227 522.13941
6120.0000 -69.74827 -67.76362 1.98464 1.90403 -67.57759 513.54204
6125.0000 -69.69495 -67.67438 2.02057 1.88452 -67.76182 498.87820
6130.0000 -69.62479 -67.73080 1.89400 1.89496 -67.66320 507.03663
6135.0000 -70.00149 -68.12135 1.88014 1.86116 -67.98223 486.61966
6140.0000 -69.78034 -67.60922 2.17112 1.87166 -67.88318 480.27221
6145.0000 -69.15334 -67.20675 1.94659 1.91730 -67.45232 532.26538
6150.0000 -69.67839 -67.93634 1.74206 1.91505 -67.47359 541.14504
6155.0000 -69.55398 -68.06418 1.48980 1.87128 -67.88677 499.15681
6160.0000 -69.58808 -67.63511 1.95297 1.89491 -67.66371 510.21574
6165.0000 -69.82799 -68.00580 1.82219 1.90430 -67.57506 545.19547
6170.0000 -69.74655 -67.87722 1.86932 1.82552 -68.31872 455.93365
6175.0000 -69.58611 -67.64445 1.94165 1.87094 -67.88991 496.18389
6180.0000 -69.73284 -67.75458 1.97826 1.87828 -67.82070 504.83993
6185.0000 -68.67654 -67.14261 1.53393 1.91012 -67.52017 515.22655
6190.0000 -69.31591 -67.45305 1.86286 1.89215 -67.68971 524.82145
6195.0000 -69.35981 -66.71182 2.64799 1.98095 -66.85155 602.97725
6200.0000 -69.43763 -67.69455 1.74309 1.92865 -67.34522 572.40061
6205.0000 -69.61192 -68.11312 1.49880 1.82736 -68.30133 437.71162
6210.0000 -69.64736 -68.09503 1.55233 1.84630 -68.12249 457.67683
6215.0000 -69.85555 -67.95239 1.90315 1.88541 -67.75338 488.91287
6220.0000 -69.76707 -67.50833 2.25875 1.87067 -67.89250 478.87433
6225.0000 -69.45734 -67.60715 1.85018 1.93674 -67.26888 565.08756
6230.0000 -69.18752 -67.38289 1.80463 1.92084 -67.41894 536.17644
6235.0000 -69.69679 -68.01023 1.68656 1.85932 -67.99961 492.74477
6240.0000 -70.04841 -68.57452 1.47389 1.83326 -68.24560 453.84042
6245.0000 -70.09449 -68.55951 1.53498 1.80010 -68.55861 421.88291
6250.0000 -68.99048 -66.66293 2.32755 1.90876 -67.53299 529.75727
FREEZING PROCESS: loop number 26 T-loop= 490.00000000000000
main_MD> interactions number 26 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57565 -0.58643 1.87767
force_rgl> df(natom) -0.40906 -0.11309 1.15419
6255.0000 -69.74367 -68.05349 1.69018 1.90449 -67.57329 511.14682
6260.0000 -69.66430 -67.16141 2.50290 1.86431 -67.95250 471.44865
6265.0000 -69.08175 -66.98504 2.09671 1.96705 -66.98274 595.48105
6270.0000 -69.70477 -67.08331 2.62147 1.92893 -67.34256 547.42156
6275.0000 -69.45607 -67.62980 1.82627 1.93831 -67.25399 559.11861
6280.0000 -69.84188 -68.02323 1.81865 1.87805 -67.82282 484.86819
6285.0000 -69.65530 -68.18251 1.47279 1.81800 -68.38963 443.15548
6290.0000 -69.81450 -67.87414 1.94036 1.87236 -67.87659 502.75742
6295.0000 -70.35246 -68.29576 2.05670 1.85467 -68.04350 486.97586
6300.0000 -69.80294 -68.14763 1.65531 1.81572 -68.41119 444.58066
6305.0000 -69.92601 -68.33522 1.59079 1.85945 -67.99841 486.63438
6310.0000 -69.90894 -68.50944 1.39950 1.82776 -68.29755 458.06500
6315.0000 -69.78115 -68.07263 1.70853 1.83351 -68.24330 455.49347
6320.0000 -70.06824 -68.53176 1.53648 1.83361 -68.24233 473.90192
6325.0000 -70.01445 -68.47357 1.54088 1.80666 -68.49674 441.00168
6330.0000 -69.98790 -68.53055 1.45735 1.81127 -68.45322 422.50935
6335.0000 -70.34897 -68.61644 1.73253 1.79670 -68.59073 422.65303
6340.0000 -70.15168 -68.33904 1.81264 1.80438 -68.51824 432.43797
6345.0000 -70.14155 -68.47043 1.67112 1.82393 -68.33372 445.09594
6350.0000 -69.63105 -68.08807 1.54298 1.82542 -68.31960 459.09426
6355.0000 -69.58353 -67.84978 1.73375 1.86969 -67.90172 505.06476
6360.0000 -70.17290 -68.88163 1.29127 1.78407 -68.70990 412.44426
6365.0000 -69.78448 -68.28394 1.50054 1.80139 -68.54649 447.61712
6370.0000 -69.87063 -68.12619 1.74443 1.81606 -68.40800 422.42217
6375.0000 -69.71081 -67.86928 1.84152 1.87108 -67.88864 491.43461
6380.0000 -69.95201 -67.81940 2.13261 1.88999 -67.71009 516.99309
6385.0000 -69.58688 -67.77745 1.80942 1.87519 -67.84985 472.69108
6390.0000 -69.81804 -67.52371 2.29433 1.92622 -67.36814 547.83890
6395.0000 -69.40816 -67.25701 2.15115 1.91751 -67.45040 530.90184
6400.0000 -68.95177 -66.93732 2.01445 1.97065 -66.94882 557.88760
6405.0000 -69.31595 -67.69382 1.62214 1.91433 -67.48036 525.34360
6410.0000 -69.08832 -67.17225 1.91607 1.91918 -67.43460 528.94395
6415.0000 -69.82997 -68.51024 1.31973 1.88259 -67.77995 480.58281
6420.0000 -69.65098 -68.25873 1.39225 1.81028 -68.46250 398.33106
6425.0000 -69.28009 -67.63543 1.64466 1.88228 -67.78295 486.81320
6430.0000 -69.72925 -67.77322 1.95603 1.86822 -67.91566 490.53667
6435.0000 -69.35906 -67.58972 1.76935 1.88744 -67.73420 508.39750
6440.0000 -69.71743 -67.76048 1.95695 1.91099 -67.51188 530.85622
6445.0000 -69.59827 -67.79244 1.80582 1.86739 -67.92347 485.40514
6450.0000 -69.94785 -67.99546 1.95238 1.89493 -67.66354 513.62258
6455.0000 -69.69698 -68.23083 1.46615 1.84090 -68.17355 450.16289
6460.0000 -70.49620 -68.56552 1.93069 1.78801 -68.67276 409.43930
6465.0000 -70.01617 -68.42496 1.59121 1.76634 -68.87726 392.46961
6470.0000 -69.79741 -67.76212 2.03529 1.86147 -67.97938 483.08161
6475.0000 -69.40486 -67.58177 1.82309 1.86457 -67.95011 487.71495
6480.0000 -69.22661 -67.24939 1.97722 1.91345 -67.48870 530.92632
6485.0000 -69.31560 -67.46164 1.85396 1.90805 -67.53970 540.48721
6490.0000 -68.92027 -67.01843 1.90184 1.95136 -67.13085 548.56682
6495.0000 -69.53057 -67.39987 2.13070 1.92050 -67.42216 530.79891
6500.0000 -69.67749 -67.72790 1.94959 1.91678 -67.45723 540.14384
FREEZING PROCESS: loop number 27 T-loop= 465.00000000000000
main_MD> interactions number 27 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23253 3.21064 -0.52902
force_rgl> df(natom) -0.16471 -0.15531 -2.54411
6505.0000 -70.09547 -68.22031 1.87516 1.84462 -68.13844 456.46718
6510.0000 -69.83962 -67.77608 2.06354 1.85354 -68.05416 448.74758
6515.0000 -69.89890 -67.84829 2.05061 1.87968 -67.80746 512.15062
6520.0000 -70.34395 -68.36103 1.98293 1.85120 -68.07625 470.39206
6525.0000 -69.62252 -67.95976 1.66276 1.82550 -68.31886 423.57660
6530.0000 -69.86521 -68.18768 1.67752 1.86884 -67.90977 487.36837
6535.0000 -70.07784 -68.51889 1.55895 1.80731 -68.49057 436.18518
6540.0000 -70.25077 -68.37394 1.87684 1.80365 -68.52512 435.11106
6545.0000 -70.45383 -68.41978 2.03405 1.79710 -68.58695 417.67343
6550.0000 -69.98693 -68.42729 1.55964 1.79775 -68.58078 422.34994
6555.0000 -69.58930 -67.82102 1.76828 1.82869 -68.28872 465.58079
6560.0000 -69.42879 -67.71133 1.71745 1.91531 -67.47118 571.87231
6565.0000 -69.53946 -67.74611 1.79335 1.91363 -67.48700 512.06382
6570.0000 -70.16654 -68.06911 2.09743 1.86434 -67.95228 473.23363
6575.0000 -69.56527 -67.76681 1.79846 1.86689 -67.92821 496.29857
6580.0000 -69.42432 -67.67833 1.74599 1.88495 -67.75771 498.61254
6585.0000 -70.13922 -68.35478 1.78444 1.83303 -68.24776 438.25861
6590.0000 -69.73995 -68.04809 1.69185 1.85055 -68.08237 469.18238
6595.0000 -69.71683 -68.04406 1.67277 1.84344 -68.14949 484.32385
6600.0000 -70.02144 -68.42041 1.60102 1.82778 -68.29730 454.64119
6605.0000 -69.74304 -68.10443 1.63860 1.83220 -68.25561 456.78322
6610.0000 -70.01448 -68.52641 1.48808 1.85979 -67.99524 510.75451
6615.0000 -69.96066 -68.47079 1.48987 1.78607 -68.69108 406.36675
6620.0000 -70.52926 -68.84941 1.67984 1.76769 -68.86457 396.12991
6625.0000 -70.32370 -68.91663 1.40707 1.75933 -68.94342 384.61770
6630.0000 -69.67828 -68.10425 1.57402 1.81865 -68.38349 430.04590
6635.0000 -69.57180 -67.52073 2.05107 1.86854 -67.91262 463.11461
6640.0000 -70.00855 -68.23177 1.77679 1.86262 -67.96853 468.51355
6645.0000 -70.01549 -67.73541 2.28008 1.83977 -68.18417 482.96823
6650.0000 -70.25064 -68.96396 1.28668 1.82920 -68.28394 463.94973
6655.0000 -70.00791 -68.51979 1.48812 1.80269 -68.53418 422.37572
6660.0000 -70.03240 -68.39838 1.63402 1.80852 -68.47917 440.57646
6665.0000 -70.37048 -68.80622 1.56426 1.80039 -68.55587 424.79354
6670.0000 -69.94402 -68.57864 1.36538 1.77591 -68.78695 418.92711
6675.0000 -70.19638 -68.38977 1.80661 1.80089 -68.55112 433.38139
6680.0000 -69.94742 -68.13865 1.80877 1.82019 -68.36904 455.30437
6685.0000 -70.20626 -68.35339 1.85288 1.81935 -68.37694 465.12106
6690.0000 -70.03698 -67.82794 2.20904 1.85703 -68.02129 477.57264
6695.0000 -69.48881 -68.03432 1.45449 1.85512 -68.03927 463.06152
6700.0000 -70.05554 -68.31950 1.73604 1.86290 -67.96581 474.39070
6705.0000 -69.79838 -68.07939 1.71899 1.86663 -67.93065 489.60955
6710.0000 -69.86762 -68.14686 1.72077 1.82680 -68.30662 433.15553
6715.0000 -69.73373 -68.10438 1.62935 1.84813 -68.10525 473.48965
6720.0000 -70.06028 -67.54652 2.51376 1.89813 -67.63334 528.49195
6725.0000 -70.20913 -68.16263 2.04650 1.85271 -68.06198 494.84557
6730.0000 -69.85849 -68.05785 1.80064 1.85696 -68.02190 497.66417
6735.0000 -69.88245 -68.11063 1.77182 1.82794 -68.29587 439.74171
6740.0000 -70.22084 -68.40809 1.81275 1.83480 -68.23106 452.38364
6745.0000 -70.25967 -68.12656 2.13311 1.80549 -68.50771 425.22770
6750.0000 -69.58572 -68.19752 1.38819 1.84254 -68.15806 478.22599
FREEZING PROCESS: loop number 28 T-loop= 440.00000000000000
main_MD> interactions number 28 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89236 1.78216 -2.85877
force_rgl> df(natom) -1.50813 1.78261 0.39847
6755.0000 -70.19247 -68.27486 1.91760 1.85230 -68.06588 474.40366
6760.0000 -70.62992 -68.56598 2.06394 1.81763 -68.39314 435.57863
6765.0000 -69.81518 -68.28574 1.52944 1.80499 -68.51246 439.14131
6770.0000 -70.26346 -68.50127 1.76219 1.80813 -68.48282 418.60033
6775.0000 -69.62146 -67.77523 1.84624 1.82884 -68.28736 444.64544
6780.0000 -70.10133 -68.08488 2.01644 1.82936 -68.28240 442.68959
6785.0000 -70.12820 -68.40810 1.72010 1.83946 -68.18710 493.41372
6790.0000 -69.82944 -68.34321 1.48623 1.80845 -68.47976 447.42178
6795.0000 -70.54115 -69.01095 1.53020 1.79766 -68.58163 403.89147
6800.0000 -69.84443 -68.22751 1.61692 1.79805 -68.57800 407.44843
6805.0000 -69.49418 -67.95343 1.54075 1.82680 -68.30663 448.39552
6810.0000 -70.16904 -68.98392 1.18513 1.80243 -68.53666 403.77964
6815.0000 -69.80748 -68.15559 1.65189 1.79363 -68.61969 403.83339
6820.0000 -69.63684 -67.89447 1.74237 1.84105 -68.17204 438.28343
6825.0000 -69.64893 -68.14563 1.50330 1.87953 -67.80886 468.81356
6830.0000 -70.63065 -69.15664 1.47401 1.77144 -68.82917 393.14147
6835.0000 -70.38347 -68.38845 1.99502 1.80634 -68.49971 444.48290
6840.0000 -70.60463 -69.35059 1.25404 1.75705 -68.96497 383.76996
6845.0000 -69.90719 -68.67257 1.23462 1.76062 -68.93124 388.62134
6850.0000 -70.28418 -68.25229 2.03189 1.80364 -68.52519 435.06587
6855.0000 -70.12366 -68.00143 2.12223 1.82871 -68.28861 437.89570
6860.0000 -69.92320 -68.17976 1.74344 1.85559 -68.03486 481.50297
6865.0000 -70.21383 -68.70830 1.50553 1.83577 -68.22189 447.47719
6870.0000 -70.12535 -68.34537 1.77998 1.80950 -68.46987 427.55555
6875.0000 -69.98335 -68.03857 1.94478 1.84723 -68.11377 481.75615
6880.0000 -70.19796 -68.51396 1.68401 1.84498 -68.13495 490.74108
6885.0000 -70.23181 -68.82837 1.40345 1.78671 -68.68504 414.98515
6890.0000 -70.25545 -68.56943 1.68602 1.78014 -68.74700 393.44871
6895.0000 -70.29498 -68.63242 1.66256 1.81594 -68.40911 455.88588
6900.0000 -70.28958 -68.68730 1.60228 1.80275 -68.53364 435.35050
6905.0000 -69.87894 -68.32308 1.55586 1.80279 -68.53320 422.24247
6910.0000 -70.29408 -68.17141 2.12267 1.82229 -68.34918 460.20506
6915.0000 -69.77152 -68.13504 1.63648 1.84157 -68.16720 487.97646
6920.0000 -70.40146 -68.36400 2.03746 1.83411 -68.23763 464.45689
6925.0000 -70.00708 -67.98763 2.01945 1.83558 -68.22370 460.66374
6930.0000 -69.81474 -67.93261 1.88213 1.84530 -68.13197 473.89940
6935.0000 -69.54973 -68.04690 1.50283 1.83639 -68.21610 485.62513
6940.0000 -70.57665 -68.39459 2.18206 1.84702 -68.11576 495.54482
6945.0000 -69.90952 -67.96897 1.94055 1.83424 -68.23636 475.62186
6950.0000 -69.72745 -68.20683 1.52062 1.86519 -67.94427 471.24158
6955.0000 -69.68016 -67.34737 2.33279 1.89765 -67.63784 513.02894
6960.0000 -69.66662 -67.32391 2.34272 1.93392 -67.29545 562.46140
6965.0000 -69.77013 -67.38125 2.38889 1.91019 -67.51949 516.00297
6970.0000 -70.19843 -68.37118 1.82725 1.86120 -67.98188 484.14502
6975.0000 -70.00912 -68.51236 1.49676 1.77880 -68.75970 385.08588
6980.0000 -70.04477 -68.60159 1.44318 1.82061 -68.36506 434.87169
6985.0000 -70.42831 -68.84400 1.58431 1.80194 -68.54125 415.77313
6990.0000 -70.09082 -68.32436 1.76646 1.81205 -68.44579 433.94660
6995.0000 -70.16205 -68.30343 1.85862 1.82157 -68.35593 439.06464
7000.0000 -70.04410 -68.44472 1.59937 1.81817 -68.38808 436.43545
FREEZING PROCESS: loop number 29 T-loop= 415.00000000000000
main_MD> interactions number 29 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49593 1.43332 0.49659
force_rgl> df(natom) 0.83434 -0.65127 0.12326
7005.0000 -69.79788 -68.32824 1.46964 1.83153 -68.26197 454.14517
7010.0000 -70.26699 -68.99893 1.26806 1.80706 -68.49293 422.75653
7015.0000 -70.43603 -68.90401 1.53202 1.73808 -69.14406 344.68129
7020.0000 -70.57017 -69.09317 1.47700 1.74659 -69.06367 348.19033
7025.0000 -70.06745 -68.46723 1.60022 1.77420 -68.80307 388.32017
7030.0000 -70.32694 -68.81658 1.51037 1.81283 -68.43847 421.24483
7035.0000 -69.75054 -68.03597 1.71457 1.79758 -68.58245 419.23165
7040.0000 -69.17255 -67.57951 1.59304 1.87379 -67.86302 483.22883
7045.0000 -69.21152 -67.61114 1.60038 1.87808 -67.82252 500.39235
7050.0000 -69.70095 -68.22644 1.47451 1.87616 -67.84072 499.24177
7055.0000 -70.07323 -68.28438 1.78886 1.84083 -68.17412 479.12658
7060.0000 -69.93743 -68.06814 1.86929 1.83817 -68.19926 460.23721
7065.0000 -70.01466 -68.43200 1.58266 1.85523 -68.03826 471.53460
7070.0000 -69.74437 -68.37557 1.36880 1.82137 -68.35783 441.36269
7075.0000 -70.11572 -68.39024 1.72548 1.80842 -68.48006 425.04201
7080.0000 -70.43377 -68.37929 2.05448 1.78970 -68.65675 393.78662
7085.0000 -70.39994 -68.72738 1.67256 1.80921 -68.47261 416.52662
7090.0000 -70.07197 -68.50384 1.56814 1.78302 -68.71987 395.59235
7095.0000 -69.85774 -68.41865 1.43909 1.80445 -68.51754 425.18891
7100.0000 -70.11141 -68.66499 1.44641 1.82200 -68.35191 396.49739
7105.0000 -70.13662 -68.85325 1.28337 1.76211 -68.91718 366.62309
7110.0000 -70.06676 -69.10413 0.96263 1.76489 -68.89100 360.08099
7115.0000 -70.08002 -68.08163 1.99839 1.77698 -68.77687 379.71782
7120.0000 -70.06917 -68.44619 1.62298 1.84020 -68.18016 436.02420
7125.0000 -70.31219 -68.68744 1.62475 1.79205 -68.63463 377.78578
7130.0000 -70.05013 -68.66680 1.38333 1.80574 -68.50538 440.50549
7135.0000 -70.67473 -69.40810 1.26662 1.75886 -68.94792 381.53064
7140.0000 -70.56774 -68.78514 1.78260 1.75141 -69.01817 391.13370
7145.0000 -70.27872 -68.73671 1.54201 1.74118 -69.11473 348.55907
7150.0000 -70.25309 -68.87366 1.37943 1.75061 -69.02581 358.01712
7155.0000 -70.09851 -68.51984 1.57867 1.79886 -68.57033 408.80612
7160.0000 -70.03932 -68.39737 1.64195 1.80951 -68.46976 410.71450
7165.0000 -69.94603 -68.26564 1.68039 1.82932 -68.28279 429.49675
7170.0000 -70.09703 -68.58931 1.50772 1.80627 -68.50034 421.07236
7175.0000 -69.97128 -68.59812 1.37316 1.81201 -68.44616 404.69198
7180.0000 -70.00011 -68.38346 1.61664 1.80334 -68.52808 409.13269
7185.0000 -69.85414 -68.07584 1.77830 1.83384 -68.24015 454.01933
7190.0000 -69.99967 -68.29119 1.70848 1.84402 -68.14410 457.31777
7195.0000 -69.82019 -68.18156 1.63863 1.83031 -68.27344 444.66038
7200.0000 -69.97365 -68.37319 1.60046 1.84048 -68.17749 447.07718
7205.0000 -70.50311 -69.32518 1.17793 1.77616 -68.78460 384.36444
7210.0000 -70.03651 -68.70272 1.33380 1.74518 -69.07704 343.97417
7215.0000 -69.99858 -68.85443 1.14415 1.75643 -68.97087 359.43877
7220.0000 -69.91164 -68.69386 1.21778 1.74567 -69.07244 351.10314
7225.0000 -70.08972 -68.61582 1.47390 1.78542 -68.69720 398.33816
7230.0000 -70.28030 -68.96304 1.31727 1.74830 -69.04758 352.33446
7235.0000 -70.11864 -68.39597 1.72267 1.80860 -68.47834 433.78255
7240.0000 -69.69861 -68.06870 1.62990 1.82253 -68.34686 421.35616
7245.0000 -70.27358 -69.09096 1.18261 1.82460 -68.32734 427.02564
7250.0000 -70.15173 -68.72434 1.42740 1.77080 -68.83519 379.02293
FREEZING PROCESS: loop number 30 T-loop= 390.00000000000000
main_MD> interactions number 30 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55092 1.04202 2.36926
force_rgl> df(natom) -1.08802 1.08504 1.84411
7255.0000 -70.15531 -68.73585 1.41946 1.79229 -68.63232 396.32893
7260.0000 -70.23191 -68.61554 1.61637 1.81200 -68.44626 417.47898
7265.0000 -70.51709 -69.19962 1.31747 1.77375 -68.80733 376.92788
7270.0000 -70.43782 -68.77905 1.65876 1.77711 -68.77566 407.06885
7275.0000 -70.25960 -68.98484 1.27476 1.75334 -69.00001 367.84961
7280.0000 -70.07518 -68.81494 1.26025 1.76805 -68.86110 367.15307
7285.0000 -70.31238 -68.40704 1.90534 1.80054 -68.55448 404.30736
7290.0000 -70.46177 -68.87885 1.58292 1.79131 -68.64159 400.83474
7295.0000 -69.96284 -68.66939 1.29345 1.75330 -69.00039 356.86100
7300.0000 -70.21903 -68.84474 1.37429 1.76916 -68.85068 391.24592
7305.0000 -70.14764 -68.69853 1.44911 1.80409 -68.52100 422.11634
7310.0000 -70.23238 -68.27309 1.95929 1.81303 -68.43660 419.10562
7315.0000 -70.12494 -68.68711 1.43783 1.80242 -68.53671 413.23576
7320.0000 -70.26463 -68.89211 1.37252 1.76453 -68.89435 371.96916
7325.0000 -70.41371 -68.45363 1.96008 1.78009 -68.74746 404.26371
7330.0000 -69.51200 -67.98558 1.52643 1.82064 -68.36471 451.85809
7335.0000 -70.08005 -68.31713 1.76292 1.83729 -68.20758 440.92309
7340.0000 -69.84885 -68.59927 1.24957 1.81567 -68.41164 427.50167
7345.0000 -70.04428 -68.52682 1.51747 1.80327 -68.52873 418.38700
7350.0000 -70.06799 -68.87208 1.19591 1.80640 -68.49913 395.68008
7355.0000 -70.12709 -68.39925 1.72784 1.81965 -68.37408 428.72496
7360.0000 -70.32458 -68.55957 1.76501 1.81216 -68.44478 434.94407
7365.0000 -70.27348 -69.03881 1.23467 1.75808 -68.95521 370.93355
7370.0000 -70.08078 -68.77278 1.30800 1.76022 -68.93505 374.69001
7375.0000 -70.15534 -68.79233 1.36301 1.76094 -68.92824 350.51417
7380.0000 -69.95445 -68.41104 1.54341 1.77257 -68.81849 383.14752
7385.0000 -70.18040 -68.69013 1.49027 1.79555 -68.60154 420.39356
7390.0000 -70.34355 -68.86962 1.47393 1.76803 -68.86130 382.33933
7395.0000 -70.38552 -68.92542 1.46010 1.77049 -68.83813 396.01932
7400.0000 -70.26032 -68.59702 1.66329 1.76963 -68.84622 371.50353
7405.0000 -69.90621 -68.22863 1.67759 1.83306 -68.24754 444.59561
7410.0000 -70.02523 -68.28988 1.73535 1.83690 -68.21124 438.20612
7415.0000 -70.05101 -68.44673 1.60427 1.82451 -68.32823 420.17594
7420.0000 -69.91530 -67.96648 1.94882 1.82166 -68.35512 447.07555
7425.0000 -70.14438 -68.70749 1.43689 1.80964 -68.46857 435.66921
7430.0000 -70.56474 -69.34516 1.21958 1.76069 -68.93062 366.82643
7435.0000 -70.34063 -68.96758 1.37305 1.72773 -69.24173 341.84985
7440.0000 -70.10994 -68.91312 1.19683 1.74353 -69.09258 347.62089
7445.0000 -70.50657 -69.18979 1.31678 1.74839 -69.04672 349.69081
7450.0000 -70.64853 -69.37028 1.27825 1.72159 -69.29972 337.79886
7455.0000 -70.71260 -69.25469 1.45791 1.70400 -69.46575 330.56054
7460.0000 -70.63311 -69.27086 1.36225 1.72885 -69.23112 361.74716
7465.0000 -70.43088 -68.99939 1.43148 1.72555 -69.26235 343.05432
7470.0000 -70.28537 -68.97689 1.30848 1.73012 -69.21920 352.57565
7475.0000 -70.87647 -69.60865 1.26782 1.71554 -69.35678 335.59682
7480.0000 -70.32618 -69.05601 1.27017 1.71217 -69.38860 337.43095
7485.0000 -70.12422 -68.71829 1.40594 1.76851 -68.85684 411.40675
7490.0000 -70.40282 -69.08968 1.31314 1.77278 -68.81649 381.18531
7495.0000 -70.64883 -69.23553 1.41330 1.76426 -68.89696 398.52727
7500.0000 -70.14520 -68.54495 1.60024 1.78026 -68.74593 412.35442
FREEZING PROCESS: loop number 31 T-loop= 365.00000000000000
main_MD> interactions number 31 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.59588 0.47397 1.99274
force_rgl> df(natom) 1.76768 -0.85435 -0.75717
7505.0000 -70.24182 -69.04993 1.19189 1.77444 -68.80082 379.28688
7510.0000 -70.34728 -69.35148 0.99581 1.72776 -69.24143 315.31405
7515.0000 -70.50449 -69.34244 1.16205 1.70322 -69.47307 283.50653
7520.0000 -70.42127 -69.17155 1.24972 1.72589 -69.25911 319.59630
7525.0000 -69.94992 -68.30352 1.64641 1.75092 -69.02282 346.76554
7530.0000 -70.37973 -69.27063 1.10910 1.78763 -68.67632 391.74080
7535.0000 -70.67054 -69.21033 1.46022 1.74263 -69.10111 340.94781
7540.0000 -70.36137 -68.91995 1.44142 1.76704 -68.87064 376.44141
7545.0000 -70.61665 -69.39729 1.21937 1.73514 -69.17176 347.01547
7550.0000 -70.49337 -69.07074 1.42263 1.70960 -69.41284 322.29467
7555.0000 -70.35246 -69.11643 1.23603 1.74886 -69.04228 363.54185
7560.0000 -70.46099 -69.25879 1.20220 1.74004 -69.12549 357.14821
7565.0000 -70.19757 -69.15990 1.03767 1.73791 -69.14565 332.58662
7570.0000 -70.26835 -68.69213 1.57622 1.73838 -69.14117 315.84457
7575.0000 -70.16403 -68.62073 1.54330 1.79282 -68.62736 384.60104
7580.0000 -70.28311 -68.67528 1.60783 1.77728 -68.77402 367.52935
7585.0000 -70.35376 -68.76952 1.58423 1.77222 -68.82179 379.48225
7590.0000 -69.76682 -68.28648 1.48033 1.82335 -68.33912 440.69134
7595.0000 -70.35550 -69.11082 1.24468 1.79038 -68.65035 389.24990
7600.0000 -70.66972 -69.37082 1.29889 1.72138 -69.30169 330.00428
7605.0000 -70.87612 -69.75481 1.12131 1.70229 -69.48184 302.84940
7610.0000 -70.52419 -69.40264 1.12155 1.71755 -69.33786 321.84613
7615.0000 -70.28572 -69.06345 1.22227 1.74236 -69.10365 356.27009
7620.0000 -70.57948 -69.04519 1.53429 1.74722 -69.05778 350.28973
7625.0000 -70.57721 -69.46950 1.10771 1.72089 -69.30629 315.62329
7630.0000 -70.33505 -69.13159 1.20346 1.71715 -69.34164 301.72563
7635.0000 -70.21051 -68.92294 1.28757 1.75104 -69.02169 350.83003
7640.0000 -70.20881 -68.94134 1.26747 1.73936 -69.13192 344.98808
7645.0000 -70.29083 -68.85393 1.43690 1.77989 -68.74936 396.52640
7650.0000 -70.72579 -69.28745 1.43833 1.72365 -69.28024 322.51932
7655.0000 -70.35031 -68.85162 1.49868 1.75537 -68.98085 363.31205
7660.0000 -69.92349 -68.47512 1.44837 1.79549 -68.60215 418.41816
7665.0000 -70.29268 -68.99404 1.29863 1.77551 -68.79071 384.21007
7670.0000 -69.94759 -68.62566 1.32193 1.78877 -68.66555 394.50908
7675.0000 -70.37696 -69.15181 1.22515 1.75830 -68.95317 372.09865
7680.0000 -70.54549 -69.21735 1.32814 1.72820 -69.23732 331.71260
7685.0000 -70.50013 -69.07780 1.42233 1.72579 -69.26005 328.41431
7690.0000 -70.38900 -69.29052 1.09848 1.74590 -69.07026 346.82999
7695.0000 -70.24681 -68.97650 1.27032 1.72558 -69.26199 330.29547
7700.0000 -70.05043 -68.55127 1.49916 1.78227 -68.72691 399.09321
7705.0000 -70.26853 -69.11923 1.14930 1.74678 -69.06190 355.53648
7710.0000 -70.45880 -69.05924 1.39956 1.75271 -69.00594 362.99528
7715.0000 -70.29950 -68.97520 1.32430 1.74246 -69.10268 345.08516
7720.0000 -70.47552 -69.21691 1.25861 1.76420 -68.89751 376.23481
7725.0000 -70.11620 -68.89580 1.22040 1.75203 -69.01237 356.61868
7730.0000 -70.54914 -69.53570 1.01344 1.73294 -69.19252 342.35428
7735.0000 -70.43452 -69.10177 1.33275 1.73665 -69.15753 331.81312
7740.0000 -70.29821 -69.19620 1.10201 1.74629 -69.06654 357.82185
7745.0000 -70.69381 -69.46921 1.22460 1.73359 -69.18642 361.05577
7750.0000 -70.52460 -69.37445 1.15015 1.70909 -69.41766 338.41415
FREEZING PROCESS: loop number 32 T-loop= 340.00000000000000
main_MD> interactions number 32 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11656 -1.04529 -0.98864
force_rgl> df(natom) 1.29881 -1.60633 0.55223
7755.0000 -70.44371 -69.06288 1.38083 1.72515 -69.26605 349.14948
7760.0000 -70.45041 -69.00372 1.44668 1.76355 -68.90366 394.87412
7765.0000 -70.57257 -69.24744 1.32513 1.74421 -69.08614 382.80287
7770.0000 -70.64859 -69.45336 1.19523 1.72882 -69.23141 359.23077
7775.0000 -70.79487 -69.39731 1.39756 1.73389 -69.18357 370.89435
7780.0000 -70.82447 -69.74548 1.07899 1.69976 -69.50571 325.09897
7785.0000 -70.71980 -69.49305 1.22675 1.70343 -69.47114 329.04813
7790.0000 -70.82872 -69.61481 1.21391 1.68525 -69.64270 303.11705
7795.0000 -70.54396 -69.44450 1.09946 1.69334 -69.56630 304.96209
7800.0000 -70.40975 -69.27226 1.13749 1.72782 -69.24089 357.29763
7805.0000 -70.53164 -68.94254 1.58910 1.72990 -69.22126 352.72669
7810.0000 -70.49083 -69.16446 1.32638 1.73524 -69.17081 357.14241
7815.0000 -70.70106 -69.79901 0.90205 1.69176 -69.58129 311.37801
7820.0000 -70.48466 -69.36243 1.12224 1.68628 -69.63301 314.24454
7825.0000 -70.29981 -68.87265 1.42715 1.74423 -69.08600 376.10218
7830.0000 -70.62315 -69.18885 1.43430 1.73962 -69.12953 367.09613
7835.0000 -70.60940 -69.43649 1.17290 1.72320 -69.28453 356.09601
7840.0000 -70.46089 -69.09164 1.36925 1.76075 -68.93002 390.28505
7845.0000 -70.22223 -68.58762 1.63460 1.76872 -68.85486 402.83246
7850.0000 -70.58866 -69.16177 1.42689 1.77842 -68.76329 416.29706
7855.0000 -70.26384 -69.05514 1.20870 1.73005 -69.21984 359.86232
7860.0000 -70.60386 -69.30109 1.30277 1.74312 -69.09651 359.71257
7865.0000 -70.44213 -69.14561 1.29652 1.71304 -69.38039 326.69888
7870.0000 -70.77879 -69.57942 1.19936 1.72029 -69.31195 336.96975
7875.0000 -70.84193 -69.61694 1.22499 1.67624 -69.72778 283.24799
7880.0000 -70.55825 -69.40847 1.14978 1.69400 -69.56010 299.01005
7885.0000 -70.34193 -69.21900 1.12292 1.73067 -69.21398 351.70870
7890.0000 -70.41618 -68.96997 1.44621 1.73784 -69.14626 337.33125
7895.0000 -70.21592 -69.03048 1.18544 1.73774 -69.14725 356.15763
7900.0000 -70.42388 -69.18809 1.23578 1.75979 -68.93908 355.47383
7905.0000 -70.30656 -69.24866 1.05789 1.72192 -69.29661 320.29612
7910.0000 -70.74992 -69.59306 1.15686 1.70584 -69.44832 307.38478
7915.0000 -70.57551 -69.08641 1.48910 1.72543 -69.26347 330.56803
7920.0000 -70.32453 -68.93280 1.39172 1.75460 -68.98811 365.21890
7925.0000 -70.64067 -69.56196 1.07871 1.72512 -69.26636 327.74090
7930.0000 -70.53551 -69.46796 1.06755 1.69979 -69.50543 296.83785
7935.0000 -70.54434 -69.17908 1.36526 1.72986 -69.22161 323.61059
7940.0000 -70.21098 -68.68224 1.52874 1.76178 -68.92037 374.37642
7945.0000 -70.69168 -69.28871 1.40297 1.77048 -68.83819 383.05446
7950.0000 -70.51934 -68.65456 1.86478 1.73369 -69.18552 349.42205
7955.0000 -70.51989 -69.32980 1.19009 1.77815 -68.76583 408.02583
7960.0000 -70.80805 -69.64333 1.16471 1.70735 -69.43412 325.85916
7965.0000 -70.75159 -69.53096 1.22063 1.68366 -69.65773 296.66947
7970.0000 -70.68100 -69.16641 1.51459 1.71834 -69.33039 327.97945
7975.0000 -70.62221 -69.23077 1.39144 1.72494 -69.26810 344.77672
7980.0000 -70.69072 -69.31493 1.37579 1.71741 -69.33917 349.74613
7985.0000 -70.78338 -69.17700 1.60637 1.74957 -69.03553 380.98063
7990.0000 -70.59982 -69.32376 1.27606 1.71908 -69.32337 346.32706
7995.0000 -70.68465 -69.31712 1.36753 1.72970 -69.22318 368.30354
8000.0000 -70.99110 -69.64407 1.34703 1.69900 -69.51288 320.79453
FREEZING PROCESS: loop number 33 T-loop= 315.00000000000000
main_MD> interactions number 33 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.46019 -2.21008 1.28945
force_rgl> df(natom) 0.26579 0.68146 -1.83070
8005.0000 -70.82033 -69.49525 1.32509 1.67940 -69.69790 304.41226
8010.0000 -70.65882 -69.33081 1.32801 1.72998 -69.22054 358.79173
8015.0000 -70.84006 -69.76018 1.07987 1.70741 -69.43350 338.76301
8020.0000 -70.60867 -69.42963 1.17904 1.69994 -69.50404 320.17038
8025.0000 -70.63222 -69.17375 1.45847 1.73577 -69.16583 369.31799
8030.0000 -70.56280 -69.51331 1.04950 1.72491 -69.26839 349.13230
8035.0000 -70.38418 -69.27559 1.10859 1.71169 -69.39315 339.17452
8040.0000 -71.15906 -69.90837 1.25068 1.68664 -69.62956 299.79484
8045.0000 -70.96366 -69.73738 1.22628 1.67108 -69.77649 284.61648
8050.0000 -70.83982 -69.62815 1.21166 1.68235 -69.67010 297.53284
8055.0000 -70.57373 -69.44208 1.13165 1.68973 -69.60042 313.67585
8060.0000 -70.50057 -69.22933 1.27123 1.71014 -69.40773 333.64979
8065.0000 -70.21296 -69.18207 1.03090 1.73515 -69.17165 346.05048
8070.0000 -70.69878 -69.28472 1.41406 1.71389 -69.37235 320.72021
8075.0000 -70.84936 -69.78237 1.06698 1.69793 -69.52303 320.13489
8080.0000 -71.00252 -70.00163 1.00088 1.68091 -69.68366 303.02784
8085.0000 -70.67984 -69.60572 1.07413 1.66496 -69.83420 273.01754
8090.0000 -70.87439 -69.70824 1.16615 1.68679 -69.62817 300.63807
8095.0000 -70.97653 -69.93717 1.03936 1.66079 -69.87359 273.52627
8100.0000 -71.03386 -70.02001 1.01385 1.66559 -69.82830 279.12359
8105.0000 -70.62648 -69.45354 1.17294 1.68031 -69.68931 298.89962
8110.0000 -70.34891 -69.32825 1.02066 1.73039 -69.21665 363.89523
8115.0000 -71.06999 -69.95272 1.11728 1.67017 -69.78506 289.59118
8120.0000 -70.83455 -69.96314 0.87141 1.65192 -69.95735 266.75839
8125.0000 -70.88393 -69.83667 1.04726 1.67064 -69.78057 286.68334
8130.0000 -70.73739 -69.66522 1.07217 1.67198 -69.76798 287.43137
8135.0000 -71.06689 -69.85051 1.21638 1.68327 -69.66138 293.88140
8140.0000 -70.83032 -69.96432 0.86600 1.66386 -69.84458 263.78601
8145.0000 -70.86770 -69.77640 1.09131 1.68851 -69.61193 288.73167
8150.0000 -70.93260 -69.85713 1.07547 1.67531 -69.73649 288.80644
8155.0000 -70.73924 -69.52467 1.21457 1.67883 -69.70333 292.66905
8160.0000 -70.55319 -69.63046 0.92273 1.70445 -69.46144 306.27816
8165.0000 -70.72071 -69.13519 1.58553 1.72095 -69.30575 322.98600
8170.0000 -70.29106 -68.83045 1.46061 1.73259 -69.19582 334.45479
8175.0000 -70.29799 -68.88557 1.41241 1.75420 -68.99191 343.43909
8180.0000 -70.40042 -69.15789 1.24253 1.74431 -69.08524 336.83215
8185.0000 -70.61321 -69.12215 1.49107 1.74210 -69.10606 368.23465
8190.0000 -70.65046 -69.48534 1.16512 1.70682 -69.43908 321.93227
8195.0000 -70.88643 -69.78210 1.10432 1.69186 -69.58028 299.61411
8200.0000 -70.90892 -69.90201 1.00692 1.66073 -69.87413 273.41041
8205.0000 -70.78991 -69.54123 1.24868 1.68189 -69.67439 291.97180
8210.0000 -70.93650 -69.74270 1.19381 1.67676 -69.72288 285.88879
8215.0000 -70.78022 -69.45746 1.32276 1.69051 -69.59306 298.85328
8220.0000 -70.82815 -69.56801 1.26013 1.71189 -69.39122 322.92842
8225.0000 -70.53353 -69.69958 0.83395 1.70235 -69.48130 306.14409
8230.0000 -70.62388 -69.65557 0.96831 1.66912 -69.79494 257.68244
8235.0000 -70.61821 -69.54313 1.07508 1.68375 -69.65684 276.94931
8240.0000 -70.52967 -69.24205 1.28762 1.70792 -69.42870 312.55655
8245.0000 -70.52380 -69.14721 1.37658 1.74400 -69.08817 358.08158
8250.0000 -70.37076 -69.10128 1.26948 1.72165 -69.29915 342.62994
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 39.7709086 [s].
main_MD> Deallocating global variables
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