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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_24/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_24.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 = 24 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 24 2400
main_MD> Size of nv and nvoiz: 24 2400
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 = 24
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> 6.5472760600459409E-002 -3.8695755641548146E-002 -0.24831735227653220 initial drift of cluster / NP1 for coalescence
init> 0.47836809802865687 0.38177804536958865 0.27211873597583175 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6990310154079312E-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) -1.87512 -2.95066 1.25051
force_rgl> df(natom) 1.62276 -1.87921 -0.32544
preparo> THERMALIZATION PROCESS AT 1189.0361388541180
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -49.131907505561777 4.0335289661348224 -53.165436471696601 5.9521789793855011E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1162.0000000000000
main_MD> interactions number 1 at Temperature= 1162.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05405 -3.06446 0.76521
force_rgl> df(natom) -2.34083 -1.97120 -2.16943
5.0000 -53.67098 -49.81862 3.85236 2.58063 -49.32826 1263.66458
10.0000 -51.06542 -47.82187 3.24356 2.59262 -49.22851 1191.06482
15.0000 -54.48412 -50.12439 4.35973 2.63496 -48.87623 1310.54870
20.0000 -54.81661 -50.33357 4.48304 2.45684 -50.35827 1125.36233
25.0000 -53.72622 -50.03116 3.69506 2.51182 -49.90081 1198.96751
30.0000 -53.78012 -49.77643 4.00368 2.47120 -50.23879 1100.40564
35.0000 -53.93870 -50.11004 3.82865 2.55188 -49.56754 1197.44338
40.0000 -53.62478 -49.75287 3.87191 2.56968 -49.41941 1178.56655
45.0000 -53.85030 -50.71516 3.13515 2.43816 -50.51370 1047.24544
50.0000 -53.16869 -49.13388 4.03480 2.50823 -49.93072 1128.24889
55.0000 -52.02355 -48.68353 3.34002 2.57782 -49.35164 1247.04137
60.0000 -53.60376 -49.23902 4.36474 2.62535 -48.95624 1267.74820
65.0000 -53.89683 -50.63957 3.25725 2.52636 -49.77980 1250.63503
70.0000 -53.59992 -50.37048 3.22944 2.46647 -50.27814 1147.24400
75.0000 -54.63676 -50.22171 4.41505 2.45907 -50.33970 1100.86534
80.0000 -53.14564 -49.32139 3.82425 2.51043 -49.91235 1180.79042
85.0000 -52.55194 -49.21724 3.33469 2.57970 -49.33600 1165.51781
90.0000 -53.86100 -49.74130 4.11970 2.59963 -49.17023 1316.93796
95.0000 -54.55871 -50.14254 4.41617 2.50108 -49.99015 1129.91074
100.0000 -53.68045 -49.88020 3.80024 2.52409 -49.79869 1179.73175
105.0000 -53.48681 -49.51716 3.96965 2.54698 -49.60831 1179.90897
110.0000 -53.49985 -50.28201 3.21785 2.55376 -49.55184 1176.05640
115.0000 -53.62351 -50.23410 3.38942 2.47088 -50.24147 1121.65806
120.0000 -52.87209 -50.20783 2.66425 2.49742 -50.02061 1163.54233
125.0000 -53.43894 -50.77617 2.66277 2.53710 -49.69044 1145.45385
130.0000 -53.32287 -50.49303 2.82984 2.48379 -50.13400 1143.63774
135.0000 -53.08053 -50.14736 2.93317 2.57129 -49.40600 1250.80058
140.0000 -54.02050 -50.23909 3.78141 2.47658 -50.19399 1096.44934
145.0000 -54.56809 -51.26785 3.30024 2.45880 -50.34192 1197.91214
150.0000 -53.94436 -50.43497 3.50939 2.38188 -50.98195 1063.53307
155.0000 -52.70790 -48.79022 3.91768 2.53692 -49.69194 1209.31377
160.0000 -52.42904 -48.74365 3.68539 2.64880 -48.76108 1289.87099
165.0000 -54.25335 -51.02885 3.22449 2.50358 -49.96934 1071.32295
170.0000 -53.35875 -50.23063 3.12812 2.31570 -51.53264 958.30405
175.0000 -54.84909 -51.16696 3.68213 2.42611 -50.61399 1091.86818
180.0000 -54.20669 -51.35594 2.85075 2.35354 -51.21779 1053.92272
185.0000 -55.15648 -51.89743 3.25905 2.34838 -51.26070 1083.02458
190.0000 -55.85518 -52.36484 3.49033 2.23420 -52.21074 918.44715
195.0000 -54.38389 -50.96761 3.41628 2.35339 -51.21897 986.54370
200.0000 -53.61738 -50.10382 3.51356 2.46264 -50.30998 1094.38401
205.0000 -53.19609 -50.39297 2.80312 2.45021 -50.41341 1064.42096
210.0000 -53.14506 -48.59932 4.54574 2.54987 -49.58423 1154.84992
215.0000 -53.95346 -50.44661 3.50685 2.58905 -49.25820 1203.29846
220.0000 -53.28352 -49.82146 3.46207 2.49311 -50.05653 1153.85867
225.0000 -52.55702 -49.39295 3.16408 2.56725 -49.43962 1228.50249
230.0000 -53.34984 -48.53278 4.81706 2.67121 -48.57466 1372.13702
235.0000 -53.53959 -48.71127 4.82832 2.64636 -48.78139 1320.27978
240.0000 -50.78089 -47.98915 2.79174 2.62689 -48.94337 1231.79905
245.0000 -53.77223 -49.21586 4.55637 2.64177 -48.81962 1357.52152
250.0000 -52.62292 -49.12070 3.50222 2.62238 -48.98091 1265.53484
FREEZING PROCESS: loop number 2 T-loop= 1137.0000000000000
main_MD> interactions number 2 at Temperature= 1137.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20491 0.58598 0.05426
force_rgl> df(natom) -0.58133 8.57581 1.30071
255.0000 -53.94627 -50.25240 3.69388 2.51555 -49.86979 1229.20591
260.0000 -53.72202 -50.14334 3.57868 2.49847 -50.01187 1144.43784
265.0000 -52.87725 -48.30520 4.57204 2.48503 -50.12373 1119.39813
270.0000 -52.76264 -49.69804 3.06460 2.55718 -49.52338 1255.00834
275.0000 -54.82334 -50.72773 4.09561 2.47324 -50.22181 1135.79436
280.0000 -53.61793 -49.36067 4.25725 2.49012 -50.08138 1170.48032
285.0000 -54.14210 -50.72891 3.41319 2.47893 -50.17450 1152.16297
290.0000 -53.60622 -51.10673 2.49949 2.40614 -50.78008 1061.85703
295.0000 -54.24558 -49.97090 4.27468 2.41008 -50.74735 1083.61523
300.0000 -52.60403 -47.94682 4.65721 2.49564 -50.03545 1157.21454
305.0000 -54.03094 -50.41073 3.62021 2.65148 -48.73881 1327.35364
310.0000 -53.38969 -50.11658 3.27310 2.45394 -50.38240 1106.13363
315.0000 -52.71372 -49.74941 2.96431 2.49912 -50.00648 1125.16189
320.0000 -53.04307 -48.99175 4.05132 2.61455 -49.04605 1178.28680
325.0000 -54.04701 -50.24839 3.79862 2.55062 -49.57797 1188.33229
330.0000 -53.39887 -49.63536 3.76350 2.55427 -49.54758 1266.47141
335.0000 -55.00600 -50.58483 4.42116 2.47774 -50.18435 1155.45577
340.0000 -53.31360 -48.73706 4.57655 2.52414 -49.79832 1187.33412
345.0000 -53.38765 -49.85676 3.53089 2.55964 -49.50293 1259.84146
350.0000 -52.68200 -48.54414 4.13786 2.65405 -48.71744 1294.98231
355.0000 -54.02588 -49.10924 4.91664 2.72170 -48.15452 1352.46764
360.0000 -54.43715 -51.33502 3.10213 2.46660 -50.27705 1152.75407
365.0000 -55.21793 -52.25993 2.95801 2.27063 -51.90760 927.94547
370.0000 -53.42302 -50.17489 3.24813 2.34464 -51.29180 976.93115
375.0000 -53.96450 -50.28391 3.68059 2.49374 -50.05129 1153.15642
380.0000 -52.56654 -49.76479 2.80175 2.46882 -50.25858 1039.88818
385.0000 -53.30304 -49.89461 3.40843 2.53360 -49.71963 1156.76586
390.0000 -52.92773 -49.59814 3.32959 2.41766 -50.68422 1067.54228
395.0000 -54.51284 -51.33152 3.18133 2.41835 -50.67854 1075.07559
400.0000 -53.77290 -50.64021 3.13269 2.38526 -50.95387 1026.69781
405.0000 -53.37902 -48.96144 4.41759 2.53445 -49.71256 1179.05698
410.0000 -53.51026 -49.45457 4.05568 2.55929 -49.50584 1222.97234
415.0000 -53.71471 -49.49459 4.22013 2.53449 -49.71219 1260.02202
420.0000 -52.89118 -48.28173 4.60945 2.55944 -49.50459 1163.15042
425.0000 -52.95264 -48.95021 4.00243 2.62913 -48.92472 1267.52512
430.0000 -52.37778 -48.69745 3.68033 2.50863 -49.92735 1173.72380
435.0000 -52.40498 -48.98087 3.42411 2.60945 -49.08852 1250.07354
440.0000 -52.82310 -49.64582 3.17728 2.59045 -49.24662 1205.89285
445.0000 -53.72509 -50.11985 3.60525 2.55454 -49.54536 1220.78991
450.0000 -53.53865 -49.56313 3.97552 2.46707 -50.27317 1091.50871
455.0000 -54.03860 -50.13444 3.90416 2.53513 -49.70690 1123.88004
460.0000 -52.51747 -48.90165 3.61582 2.58732 -49.27264 1268.59339
465.0000 -52.69355 -48.43871 4.25485 2.69330 -48.39088 1353.16288
470.0000 -54.07537 -50.54597 3.52940 2.58106 -49.32469 1267.79134
475.0000 -53.56219 -50.02324 3.53895 2.43119 -50.57173 1095.74122
480.0000 -53.33935 -49.09141 4.24794 2.48306 -50.14010 1146.38683
485.0000 -53.45932 -49.15012 4.30920 2.61690 -49.02652 1312.44544
490.0000 -52.43270 -49.04960 3.38310 2.57773 -49.35242 1258.35452
495.0000 -53.48896 -50.44371 3.04525 2.54512 -49.62375 1209.67698
500.0000 -51.68728 -47.98417 3.70311 2.62993 -48.91809 1161.04663
FREEZING PROCESS: loop number 3 T-loop= 1112.0000000000000
main_MD> interactions number 3 at Temperature= 1112.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70929 -0.05584 -2.58930
force_rgl> df(natom) 2.78362 -1.39490 -1.12715
505.0000 -53.41207 -49.67210 3.73998 2.68980 -48.41998 1336.46254
510.0000 -53.47572 -49.96971 3.50601 2.47082 -50.24199 1101.24400
515.0000 -53.15573 -50.07968 3.07605 2.52787 -49.76731 1177.69204
520.0000 -54.40301 -50.72297 3.68004 2.43266 -50.55945 1110.26924
525.0000 -53.51946 -51.05202 2.46743 2.41501 -50.70629 1050.24389
530.0000 -53.48130 -49.72454 3.75676 2.47186 -50.23330 1141.54956
535.0000 -53.93200 -51.29882 2.63318 2.45939 -50.33708 1158.56419
540.0000 -54.11503 -50.84741 3.26762 2.39424 -50.87911 1005.03283
545.0000 -54.41028 -51.82514 2.58514 2.35410 -51.21307 978.17767
550.0000 -53.65659 -50.99564 2.66096 2.26303 -51.97084 867.47841
555.0000 -54.96316 -52.33701 2.62614 2.35959 -51.16739 985.61938
560.0000 -55.42182 -51.31392 4.10790 2.36353 -51.13464 1050.46723
565.0000 -54.61105 -51.39592 3.21513 2.30975 -51.58214 1008.36434
570.0000 -54.12544 -50.28236 3.84308 2.39755 -50.85161 1047.77477
575.0000 -53.75754 -50.81525 2.94228 2.44747 -50.43622 1113.28173
580.0000 -54.10454 -51.22838 2.87616 2.33872 -51.34107 985.60620
585.0000 -54.10233 -49.80624 4.29609 2.45382 -50.38335 1088.70304
590.0000 -53.58319 -49.55606 4.02713 2.50363 -49.96896 1118.59045
595.0000 -52.41107 -49.01302 3.39805 2.54461 -49.62800 1199.07401
600.0000 -52.95443 -50.23160 2.72283 2.45340 -50.38692 1111.62693
605.0000 -54.18360 -50.55876 3.62484 2.49560 -50.03577 1155.16687
610.0000 -53.95318 -50.61457 3.33861 2.45060 -50.41015 1110.59086
615.0000 -53.59464 -50.26577 3.32887 2.37036 -51.07777 1007.44405
620.0000 -54.69770 -50.76020 3.93750 2.36949 -51.08507 998.35988
625.0000 -53.49909 -49.83519 3.66390 2.38666 -50.94222 1008.68273
630.0000 -52.54914 -48.76158 3.78756 2.66674 -48.61186 1261.28082
635.0000 -53.44043 -49.51316 3.92728 2.58777 -49.26891 1251.30615
640.0000 -53.53465 -50.24016 3.29449 2.50816 -49.93125 1192.26357
645.0000 -53.06353 -49.90989 3.15364 2.49922 -50.00561 1129.14406
650.0000 -53.96421 -50.50843 3.45578 2.52785 -49.76748 1075.28663
655.0000 -53.77985 -50.51069 3.26916 2.49758 -50.01927 1169.60753
660.0000 -53.82710 -50.67759 3.14951 2.41847 -50.67752 1061.67248
665.0000 -53.24263 -49.52346 3.71917 2.45978 -50.33378 1121.73747
670.0000 -52.95456 -48.82783 4.12672 2.57436 -49.38044 1205.19993
675.0000 -53.23985 -49.77045 3.46940 2.62490 -48.95997 1252.63513
680.0000 -53.67119 -50.02553 3.64566 2.45204 -50.39824 1050.88269
685.0000 -52.82760 -49.87057 2.95703 2.50226 -49.98037 1155.68841
690.0000 -52.66332 -49.44651 3.21681 2.53563 -49.70274 1204.57159
695.0000 -54.11942 -50.56094 3.55848 2.38161 -50.98421 1061.69360
700.0000 -54.43472 -51.27536 3.15937 2.33523 -51.37014 1012.56055
705.0000 -54.83335 -51.48142 3.35193 2.33074 -51.40743 982.36211
710.0000 -54.58230 -51.81883 2.76347 2.33126 -51.40317 1009.81391
715.0000 -54.27581 -51.26999 3.00582 2.26381 -51.96437 902.48349
720.0000 -54.78420 -50.90114 3.88306 2.38813 -50.92998 1111.17543
725.0000 -53.13513 -49.78366 3.35147 2.44191 -50.48253 1079.33824
730.0000 -53.96126 -50.69862 3.26264 2.51888 -49.84211 1142.97286
735.0000 -53.83485 -50.83586 2.99899 2.44989 -50.41610 1078.40372
740.0000 -53.05371 -49.77756 3.27615 2.44986 -50.41638 1090.94094
745.0000 -53.14474 -49.71614 3.42860 2.56163 -49.48639 1169.03264
750.0000 -53.14571 -49.54824 3.59747 2.48629 -50.11327 1180.59471
FREEZING PROCESS: loop number 4 T-loop= 1087.0000000000000
main_MD> interactions number 4 at Temperature= 1087.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80535 0.42868 0.26750
force_rgl> df(natom) -8.30549 -4.50428 -4.89174
755.0000 -53.12275 -50.33702 2.78573 2.50959 -49.91938 1107.58590
760.0000 -55.04329 -51.36924 3.67405 2.43369 -50.55090 1098.14198
765.0000 -54.77553 -51.69128 3.08424 2.32487 -51.45633 1022.28775
770.0000 -54.16347 -50.87129 3.29219 2.29391 -51.71392 952.09289
775.0000 -55.00773 -52.07888 2.92885 2.33221 -51.39523 1000.90415
780.0000 -54.06467 -50.84043 3.22424 2.29904 -51.67119 933.41622
785.0000 -54.66613 -51.67799 2.98814 2.47061 -50.24370 1173.00787
790.0000 -54.09524 -51.18907 2.90617 2.25362 -52.04915 935.25465
795.0000 -53.17414 -50.18099 2.99315 2.42568 -50.61755 1061.09571
800.0000 -53.90652 -50.49158 3.41494 2.38697 -50.93957 1012.18047
805.0000 -53.58000 -50.08279 3.49721 2.45072 -50.40920 1108.16025
810.0000 -53.06544 -49.26041 3.80503 2.53626 -49.69749 1199.36052
815.0000 -52.96843 -48.92452 4.04391 2.59033 -49.24762 1227.23935
820.0000 -54.07718 -49.86530 4.21187 2.54168 -49.65237 1200.49651
825.0000 -53.80376 -50.37645 3.42731 2.51932 -49.83838 1203.10556
830.0000 -54.58122 -50.15165 4.42956 2.52512 -49.79018 1081.23891
835.0000 -52.60868 -49.61931 2.98937 2.46177 -50.31726 1093.72900
840.0000 -53.16930 -49.60809 3.56120 2.51079 -49.90941 1086.14249
845.0000 -53.49409 -49.07170 4.42239 2.60359 -49.13730 1233.58932
850.0000 -54.26204 -50.83678 3.42526 2.49005 -50.08191 1131.70514
855.0000 -54.20833 -51.68873 2.51960 2.34505 -51.28836 981.87546
860.0000 -54.69608 -51.62519 3.07089 2.21810 -52.34468 854.66858
865.0000 -54.12906 -50.21255 3.91651 2.39451 -50.87685 1096.97931
870.0000 -54.58542 -50.41014 4.17528 2.48598 -50.11582 1128.96804
875.0000 -54.39161 -51.28145 3.11017 2.30193 -51.64717 964.58644
880.0000 -53.23173 -49.67592 3.55581 2.36797 -51.09773 1030.16298
885.0000 -53.58098 -50.86219 2.71879 2.46341 -50.30362 1137.54107
890.0000 -53.95516 -50.84841 3.10675 2.39720 -50.85450 1054.39673
895.0000 -54.22441 -51.21678 3.00763 2.33466 -51.37485 938.46946
900.0000 -54.72724 -51.29415 3.43309 2.37347 -51.05195 1084.09339
905.0000 -53.53980 -50.88126 2.65855 2.38376 -50.96629 1064.24607
910.0000 -53.47085 -49.38971 4.08113 2.49989 -50.00011 1114.05344
915.0000 -53.07314 -48.95270 4.12044 2.61415 -49.04937 1278.00243
920.0000 -53.36142 -49.38032 3.98109 2.58846 -49.26312 1195.93319
925.0000 -53.29251 -50.01284 3.27968 2.53721 -49.68960 1201.15160
930.0000 -53.45785 -50.18195 3.27590 2.48453 -50.12785 1163.02027
935.0000 -54.03231 -49.71642 4.31589 2.53640 -49.69628 1158.00097
940.0000 -54.76375 -51.55308 3.21067 2.39364 -50.88408 1099.55297
945.0000 -54.11179 -50.92237 3.18943 2.35346 -51.21843 1015.72191
950.0000 -54.10157 -52.18283 1.91873 2.35352 -51.21793 979.58278
955.0000 -55.20186 -51.07145 4.13041 2.35866 -51.17516 990.03140
960.0000 -53.35489 -50.03252 3.32237 2.35534 -51.20281 1061.61741
965.0000 -53.80869 -51.37665 2.43203 2.48648 -50.11168 1111.89742
970.0000 -54.01594 -51.57090 2.44505 2.38986 -50.91559 1062.76662
975.0000 -54.51583 -50.98067 3.53516 2.36533 -51.11969 1024.53407
980.0000 -53.78476 -50.73109 3.05367 2.38502 -50.95584 1000.92460
985.0000 -55.04897 -51.55427 3.49470 2.37395 -51.04792 985.95744
990.0000 -54.16513 -50.66885 3.49628 2.33538 -51.36884 1007.32878
995.0000 -53.76442 -50.38144 3.38298 2.48354 -50.13615 1111.58442
1000.0000 -53.76402 -49.57606 4.18796 2.45452 -50.37759 1160.29833
FREEZING PROCESS: loop number 5 T-loop= 1062.0000000000000
main_MD> interactions number 5 at Temperature= 1062.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.27734 -0.06649 1.71013
force_rgl> df(natom) -6.76030 -1.52578 1.73651
1005.0000 -53.49233 -50.03357 3.45876 2.61556 -49.03769 1230.89477
1010.0000 -53.19332 -49.72403 3.46928 2.48897 -50.09097 1093.87206
1015.0000 -54.10529 -50.29430 3.81100 2.44842 -50.42833 1081.15464
1020.0000 -54.69799 -52.36972 2.32827 2.40848 -50.76068 1118.43036
1025.0000 -55.32773 -52.03705 3.29068 2.27308 -51.88723 940.26753
1030.0000 -54.90445 -51.90507 2.99938 2.36935 -51.08623 1056.78487
1035.0000 -53.21104 -50.53220 2.67884 2.39472 -50.87510 1062.89926
1040.0000 -54.12160 -49.96055 4.16105 2.46649 -50.27799 1096.88790
1045.0000 -52.95780 -49.93365 3.02416 2.44748 -50.43611 1038.82694
1050.0000 -53.33087 -49.43022 3.90065 2.57778 -49.35201 1280.44627
1055.0000 -53.47257 -49.90384 3.56873 2.52298 -49.80794 1154.41625
1060.0000 -54.32072 -49.66891 4.65181 2.49005 -50.08194 1171.41992
1065.0000 -53.82987 -50.04103 3.78884 2.46752 -50.26938 1147.02523
1070.0000 -53.78869 -50.80800 2.98069 2.44199 -50.48181 1109.59517
1075.0000 -54.82982 -52.18015 2.64967 2.29913 -51.67043 995.13015
1080.0000 -54.21868 -50.73696 3.48172 2.34711 -51.27126 1003.85734
1085.0000 -54.20530 -49.66442 4.54088 2.42198 -50.64832 1121.36989
1090.0000 -54.49308 -51.30915 3.18394 2.45688 -50.35792 1139.05861
1095.0000 -54.69654 -52.47273 2.22381 2.27049 -51.90880 947.68133
1100.0000 -53.27038 -50.20131 3.06907 2.40158 -50.81801 1013.34781
1105.0000 -53.50532 -50.38952 3.11580 2.43559 -50.53509 1112.83771
1110.0000 -52.80957 -48.86519 3.94438 2.56970 -49.41923 1213.95240
1115.0000 -53.63839 -49.88683 3.75156 2.52990 -49.75042 1221.09407
1120.0000 -53.00880 -48.25112 4.75768 2.59156 -49.23733 1275.60712
1125.0000 -53.41551 -49.76750 3.64801 2.51816 -49.84804 1095.05733
1130.0000 -52.89050 -49.88462 3.00588 2.54809 -49.59900 1165.50896
1135.0000 -54.05081 -51.14039 2.91043 2.42890 -50.59077 1091.75358
1140.0000 -54.76912 -50.30486 4.46425 2.42174 -50.65029 1058.40061
1145.0000 -54.09312 -50.71654 3.37659 2.37540 -51.03590 1001.04647
1150.0000 -55.14143 -52.57130 2.57013 2.23938 -52.16758 939.70352
1155.0000 -54.23393 -51.27829 2.95565 2.31518 -51.53690 973.31849
1160.0000 -53.81474 -50.35023 3.46451 2.49449 -50.04504 1149.11935
1165.0000 -53.35507 -49.64907 3.70600 2.52309 -49.80703 1168.21277
1170.0000 -54.00181 -50.29814 3.70367 2.44993 -50.41580 1141.51223
1175.0000 -52.47475 -49.49077 2.98399 2.48511 -50.12306 1117.58955
1180.0000 -52.68913 -49.06544 3.62370 2.51490 -49.87515 1129.64894
1185.0000 -52.33421 -49.24738 3.08684 2.49206 -50.06521 1101.91421
1190.0000 -52.47541 -48.66493 3.81048 2.68907 -48.42601 1370.30631
1195.0000 -53.05177 -49.33800 3.71377 2.67028 -48.58238 1348.14554
1200.0000 -54.71608 -51.68232 3.03375 2.40561 -50.78455 1102.28265
1205.0000 -54.42672 -52.30497 2.12175 2.32805 -51.42984 989.93284
1210.0000 -54.21190 -50.79514 3.41676 2.34536 -51.28578 970.36077
1215.0000 -53.82048 -50.38721 3.43327 2.43890 -50.50752 1108.78860
1220.0000 -54.02898 -49.75809 4.27089 2.51021 -49.91420 1096.21313
1225.0000 -53.87234 -49.40614 4.46619 2.61753 -49.02124 1307.11869
1230.0000 -53.89873 -50.22570 3.67304 2.46549 -50.28631 1133.84707
1235.0000 -52.82094 -49.16824 3.65270 2.48933 -50.08793 1112.58612
1240.0000 -53.28553 -49.36016 3.92538 2.59035 -49.24738 1137.92717
1245.0000 -54.20294 -49.87452 4.32842 2.60952 -49.08792 1232.86112
1250.0000 -51.53268 -48.24004 3.29264 2.58682 -49.27677 1232.56698
FREEZING PROCESS: loop number 6 T-loop= 1037.0000000000000
main_MD> interactions number 6 at Temperature= 1037.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53435 -0.24739 0.54568
force_rgl> df(natom) 0.11475 -0.74264 0.04112
1255.0000 -53.64441 -50.61362 3.03079 2.64227 -48.81547 1242.87112
1260.0000 -53.92502 -50.66773 3.25729 2.47957 -50.16911 1062.40081
1265.0000 -53.36222 -50.46307 2.89915 2.41289 -50.72392 1060.31210
1270.0000 -53.03340 -49.54462 3.48877 2.49437 -50.04599 1115.32376
1275.0000 -53.25151 -49.45187 3.79963 2.48827 -50.09679 1187.08131
1280.0000 -52.97887 -50.05589 2.92298 2.52071 -49.82681 1145.37887
1285.0000 -54.29063 -51.74142 2.54922 2.37219 -51.06259 1007.89505
1290.0000 -54.25007 -50.38507 3.86500 2.36564 -51.11709 1024.35285
1295.0000 -52.96408 -49.02505 3.93903 2.52493 -49.79172 1116.18824
1300.0000 -52.74522 -49.57098 3.17425 2.56865 -49.42800 1196.31224
1305.0000 -53.70157 -50.30964 3.39193 2.46315 -50.30576 1094.75805
1310.0000 -53.86202 -50.07642 3.78560 2.46102 -50.32345 1133.37000
1315.0000 -53.91923 -50.33554 3.58369 2.37650 -51.02673 1012.08755
1320.0000 -53.87761 -50.62107 3.25654 2.45752 -50.35264 1073.81459
1325.0000 -53.63297 -49.47446 4.15851 2.57316 -49.39048 1280.14625
1330.0000 -54.68408 -50.15383 4.53024 2.57541 -49.37172 1204.13138
1335.0000 -53.39579 -50.37448 3.02130 2.44820 -50.43017 1169.86972
1340.0000 -54.06851 -50.57817 3.49034 2.44684 -50.44149 1034.60430
1345.0000 -54.15566 -50.68149 3.47417 2.43620 -50.52996 1099.72010
1350.0000 -54.77688 -51.37052 3.40636 2.30617 -51.61190 966.49559
1355.0000 -54.76632 -52.00378 2.76255 2.27529 -51.86881 927.60525
1360.0000 -54.96394 -52.08783 2.87611 2.27640 -51.85962 963.76124
1365.0000 -54.72127 -51.46653 3.25474 2.29833 -51.67709 994.09217
1370.0000 -53.39610 -50.10286 3.29324 2.37367 -51.05025 1007.37216
1375.0000 -54.11300 -49.44116 4.67185 2.54675 -49.61018 1184.90161
1380.0000 -53.11172 -49.46815 3.64357 2.52708 -49.77381 1167.41397
1385.0000 -53.26597 -49.06827 4.19770 2.52593 -49.78345 1119.56887
1390.0000 -53.97806 -50.87797 3.10009 2.51891 -49.84179 1171.76773
1395.0000 -54.63830 -51.07548 3.56283 2.32875 -51.42399 999.83577
1400.0000 -55.13223 -52.17756 2.95467 2.31452 -51.54242 972.13838
1405.0000 -54.46947 -51.52970 2.93978 2.27464 -51.87424 986.73716
1410.0000 -54.42446 -50.73551 3.68895 2.35268 -51.22495 1003.08546
1415.0000 -53.70442 -49.75914 3.94529 2.40142 -50.81940 1107.39820
1420.0000 -54.44549 -52.14579 2.29970 2.38316 -50.97130 999.54411
1425.0000 -54.49680 -51.65304 2.84376 2.30492 -51.62233 960.75045
1430.0000 -53.88505 -50.82707 3.05798 2.34232 -51.31113 1038.56240
1435.0000 -54.04050 -50.59560 3.44489 2.41223 -50.72942 1104.81587
1440.0000 -54.05254 -50.73150 3.32104 2.42005 -50.66434 1053.85937
1445.0000 -53.84538 -50.87690 2.96848 2.45120 -50.40517 1104.21125
1450.0000 -54.20273 -50.94585 3.25688 2.40775 -50.76675 1016.52368
1455.0000 -52.85298 -49.57863 3.27435 2.50585 -49.95050 1113.67217
1460.0000 -53.30159 -49.99352 3.30807 2.61659 -49.02908 1251.46890
1465.0000 -54.20170 -50.62802 3.57369 2.45849 -50.34458 1132.98581
1470.0000 -54.14523 -51.09706 3.04817 2.41869 -50.67568 1071.73879
1475.0000 -54.26835 -50.99684 3.27152 2.48233 -50.14617 1083.84016
1480.0000 -55.33736 -51.45521 3.88215 2.29199 -51.72990 962.43316
1485.0000 -52.94421 -50.09258 2.85163 2.37592 -51.03157 1035.99133
1490.0000 -54.36581 -50.54208 3.82373 2.46710 -50.27286 1105.70929
1495.0000 -53.70244 -50.52154 3.18090 2.41660 -50.69309 1026.14222
1500.0000 -55.06467 -52.68876 2.37590 2.25173 -52.06487 894.04151
FREEZING PROCESS: loop number 7 T-loop= 1012.0000000000000
main_MD> interactions number 7 at Temperature= 1012.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.95987 0.12221 4.55906
force_rgl> df(natom) -2.24084 -3.11939 -5.50455
1505.0000 -54.75622 -52.00881 2.74741 2.16128 -52.81740 827.72460
1510.0000 -55.55350 -52.81708 2.73642 2.19456 -52.54049 900.70556
1515.0000 -54.19208 -50.96350 3.22858 2.27267 -51.89060 932.27163
1520.0000 -52.78368 -48.99494 3.78874 2.46839 -50.26216 1107.01134
1525.0000 -52.86265 -49.30142 3.56123 2.59480 -49.21043 1226.43284
1530.0000 -54.07424 -50.50850 3.56574 2.48123 -50.15532 1091.89047
1535.0000 -54.68400 -51.43120 3.25280 2.39310 -50.88864 1124.52247
1540.0000 -53.33996 -49.72273 3.61723 2.46093 -50.32427 1051.14160
1545.0000 -54.28868 -51.36638 2.92230 2.42139 -50.65320 1052.61372
1550.0000 -54.37205 -50.69552 3.67653 2.35500 -51.20558 975.39839
1555.0000 -55.09760 -51.81866 3.27893 2.39675 -50.85821 1039.76877
1560.0000 -54.85777 -51.72922 3.12854 2.24444 -52.12547 886.33930
1565.0000 -54.21249 -51.42665 2.78584 2.30294 -51.63880 933.12592
1570.0000 -53.49381 -50.92666 2.56716 2.37829 -51.01182 1028.82007
1575.0000 -54.81563 -51.91748 2.89815 2.29458 -51.70831 950.93769
1580.0000 -54.17489 -51.79179 2.38311 2.22663 -52.27366 901.23570
1585.0000 -54.40923 -51.04161 3.36763 2.34361 -51.30041 1006.56868
1590.0000 -54.17025 -51.04022 3.13003 2.36274 -51.14122 988.15322
1595.0000 -54.06548 -50.52994 3.53554 2.35344 -51.21861 992.53363
1600.0000 -54.78513 -50.57449 4.21064 2.46745 -50.27001 1128.02249
1605.0000 -54.51154 -51.63886 2.87268 2.43922 -50.50486 1079.30674
1610.0000 -53.96122 -50.51336 3.44786 2.27771 -51.84867 899.32697
1615.0000 -54.38504 -50.90893 3.47611 2.38063 -50.99237 969.58851
1620.0000 -53.86987 -50.86146 3.00841 2.37349 -51.05175 967.54293
1625.0000 -52.80395 -49.78320 3.02075 2.47342 -50.22033 1115.87106
1630.0000 -54.01739 -51.22009 2.79730 2.39289 -50.89036 1024.58804
1635.0000 -54.12567 -50.64813 3.47754 2.43738 -50.52021 1135.53430
1640.0000 -55.20127 -52.18733 3.01393 2.24118 -52.15266 967.07371
1645.0000 -53.98530 -51.04463 2.94067 2.29066 -51.74094 936.23120
1650.0000 -54.73441 -52.25332 2.48109 2.27883 -51.83936 1010.89772
1655.0000 -53.38908 -49.82751 3.56157 2.38618 -50.94621 1023.49641
1660.0000 -54.19419 -51.11371 3.08048 2.46167 -50.31809 1113.95601
1665.0000 -53.55368 -50.90391 2.64977 2.35559 -51.20068 1047.93295
1670.0000 -54.69465 -52.01260 2.68204 2.23522 -52.20223 959.02032
1675.0000 -54.18031 -51.55940 2.62092 2.30863 -51.59142 964.59883
1680.0000 -54.33821 -51.46998 2.86823 2.32906 -51.42145 986.21455
1685.0000 -54.45800 -51.92388 2.53412 2.30287 -51.63935 994.23990
1690.0000 -54.53196 -51.89791 2.63405 2.26509 -51.95367 959.20809
1695.0000 -54.27022 -51.48969 2.78054 2.28513 -51.78691 935.77487
1700.0000 -53.62640 -50.31500 3.31140 2.36745 -51.10201 992.98708
1705.0000 -53.11363 -50.49029 2.62334 2.46707 -50.27313 1099.17131
1710.0000 -55.06578 -51.67785 3.38793 2.32552 -51.45086 963.42457
1715.0000 -53.38344 -50.81013 2.57331 2.35793 -51.18120 1017.10753
1720.0000 -53.91423 -51.47958 2.43464 2.41864 -50.67609 1109.28934
1725.0000 -54.08679 -50.92153 3.16525 2.39588 -50.86550 1030.23045
1730.0000 -53.40477 -49.20772 4.19705 2.46910 -50.25629 1162.52800
1735.0000 -52.87206 -49.16533 3.70673 2.61568 -49.03664 1195.20618
1740.0000 -52.83561 -49.00724 3.82838 2.61954 -49.00457 1289.86108
1745.0000 -52.12890 -49.35440 2.77451 2.58792 -49.26762 1177.61529
1750.0000 -52.83223 -49.74521 3.08701 2.54235 -49.64680 1192.70063
FREEZING PROCESS: loop number 8 T-loop= 987.00000000000000
main_MD> interactions number 8 at Temperature= 987.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87737 -0.62782 -2.83389
force_rgl> df(natom) 0.34507 -3.17680 -1.31666
1755.0000 -54.21436 -51.20830 3.00606 2.43320 -50.55500 1056.29813
1760.0000 -54.55604 -51.09076 3.46527 2.32088 -51.48947 1027.69096
1765.0000 -54.86268 -52.24643 2.61625 2.29704 -51.68784 961.90543
1770.0000 -54.97497 -51.44995 3.52502 2.25211 -52.06170 905.19445
1775.0000 -54.02003 -51.09854 2.92148 2.28344 -51.80104 972.07878
1780.0000 -53.37756 -50.69135 2.68621 2.45877 -50.34225 1130.27846
1785.0000 -55.68941 -51.91032 3.77909 2.31266 -51.55785 939.19526
1790.0000 -53.60648 -50.59508 3.01139 2.38759 -50.93448 1054.79442
1795.0000 -53.88111 -51.07457 2.80654 2.37931 -51.00336 1004.66028
1800.0000 -53.89796 -50.33776 3.56020 2.41468 -50.70901 1112.78285
1805.0000 -53.77538 -50.28176 3.49361 2.48512 -50.12296 1145.85803
1810.0000 -53.83461 -50.17233 3.66229 2.42043 -50.66117 1091.81152
1815.0000 -53.99398 -51.21383 2.78015 2.37172 -51.06650 1071.64810
1820.0000 -55.55165 -52.65014 2.90151 2.24821 -52.09411 888.50064
1825.0000 -55.21627 -53.41822 1.79805 2.18524 -52.61808 884.73820
1830.0000 -54.71519 -52.20767 2.50753 2.18625 -52.60969 827.56626
1835.0000 -54.71380 -52.20193 2.51187 2.26348 -51.96712 921.55965
1840.0000 -55.42326 -53.20338 2.21988 2.20764 -52.43173 899.01443
1845.0000 -55.15975 -51.51244 3.64731 2.23424 -52.21041 884.84850
1850.0000 -54.33169 -52.33558 1.99611 2.29690 -51.68905 949.68089
1855.0000 -54.41656 -52.52102 1.89554 2.16148 -52.81579 763.37085
1860.0000 -55.09492 -52.11077 2.98415 2.26426 -51.96060 879.07867
1865.0000 -53.97268 -51.69123 2.28146 2.29439 -51.70988 963.47557
1870.0000 -54.70858 -51.75847 2.95010 2.28724 -51.76941 881.23816
1875.0000 -55.45978 -52.31206 3.14773 2.28756 -51.76673 945.85923
1880.0000 -55.84764 -52.89540 2.95224 2.24401 -52.12907 930.52732
1885.0000 -56.08733 -53.19770 2.88963 2.14854 -52.92346 809.75693
1890.0000 -54.77491 -52.09158 2.68333 2.23051 -52.24137 897.55472
1895.0000 -54.66372 -51.97447 2.68925 2.25062 -52.07412 890.63832
1900.0000 -55.07152 -51.71684 3.35469 2.26419 -51.96116 980.01567
1905.0000 -55.43664 -52.33235 3.10428 2.24131 -52.15154 988.08030
1910.0000 -54.58273 -52.41224 2.17050 2.17300 -52.71994 826.38037
1915.0000 -54.91003 -51.60027 3.30976 2.23066 -52.24017 840.31066
1920.0000 -54.97431 -52.39843 2.57588 2.25900 -52.00434 928.44857
1925.0000 -54.75693 -51.18960 3.56733 2.28852 -51.75878 990.36636
1930.0000 -55.22432 -52.19731 3.02702 2.27960 -51.83297 966.52516
1935.0000 -55.27469 -51.55992 3.71477 2.22714 -52.26942 888.83038
1940.0000 -55.08407 -51.79676 3.28731 2.30756 -51.60029 990.49171
1945.0000 -55.40826 -51.62993 3.77833 2.28234 -51.81019 954.37789
1950.0000 -54.29649 -51.12166 3.17482 2.40353 -50.80186 1049.07355
1955.0000 -54.39989 -50.97292 3.42697 2.39541 -50.86936 1041.71538
1960.0000 -54.16234 -51.26764 2.89470 2.34098 -51.32224 964.33593
1965.0000 -53.60753 -51.08640 2.52113 2.37604 -51.03052 1039.55519
1970.0000 -53.72828 -50.72830 2.99997 2.33520 -51.37037 976.61660
1975.0000 -52.96109 -49.57505 3.38604 2.47036 -50.24578 1105.17221
1980.0000 -52.20650 -49.79670 2.40980 2.51355 -49.88646 1085.47415
1985.0000 -52.79520 -49.21224 3.58295 2.52521 -49.78940 1157.52160
1990.0000 -54.03200 -49.84564 4.18636 2.51037 -49.91290 1164.71772
1995.0000 -53.78603 -50.82538 2.96065 2.45735 -50.35400 1056.06729
2000.0000 -53.97570 -51.27789 2.69782 2.38050 -50.99340 1045.79034
FREEZING PROCESS: loop number 9 T-loop= 962.00000000000000
main_MD> interactions number 9 at Temperature= 962.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40786 0.01673 0.73341
force_rgl> df(natom) -3.63085 -1.23293 4.65587
2005.0000 -55.00674 -51.69496 3.31178 2.33686 -51.35652 1044.73745
2010.0000 -54.30415 -51.46446 2.83969 2.24460 -52.12421 893.71802
2015.0000 -54.59358 -51.14478 3.44880 2.34008 -51.32974 1004.11048
2020.0000 -55.12523 -51.86530 3.25993 2.30509 -51.62086 956.75106
2025.0000 -53.12705 -49.93056 3.19650 2.36025 -51.16195 1009.03196
2030.0000 -54.38310 -51.94996 2.43315 2.39863 -50.84255 1032.94305
2035.0000 -55.47134 -52.35816 3.11318 2.23205 -52.22862 888.57233
2040.0000 -54.04682 -50.84724 3.19958 2.22105 -52.32010 904.19132
2045.0000 -54.34723 -50.48915 3.85808 2.33554 -51.36754 1002.49995
2050.0000 -54.44135 -51.67015 2.77120 2.35991 -51.16477 1025.85454
2055.0000 -55.25770 -52.80996 2.44774 2.26605 -51.94573 936.43002
2060.0000 -55.53444 -52.73397 2.80046 2.17604 -52.69463 842.89966
2065.0000 -55.15054 -52.40631 2.74423 2.24503 -52.12060 908.78727
2070.0000 -54.25948 -51.74102 2.51846 2.23704 -52.18706 812.06161
2075.0000 -54.51559 -51.28732 3.22827 2.31028 -51.57773 926.65338
2080.0000 -54.79980 -52.56864 2.23116 2.27778 -51.84809 922.60739
2085.0000 -54.83105 -51.72551 3.10554 2.30431 -51.62740 936.06147
2090.0000 -54.47077 -51.78172 2.68905 2.32448 -51.45959 939.70199
2095.0000 -54.88233 -51.56467 3.31766 2.26548 -51.95046 961.15729
2100.0000 -55.77431 -51.55351 4.22080 2.39899 -50.83959 1068.70385
2105.0000 -54.67969 -52.28443 2.39525 2.23605 -52.19531 926.91035
2110.0000 -54.77302 -52.13459 2.63844 2.20129 -52.48456 829.95536
2115.0000 -54.96542 -51.86655 3.09887 2.22127 -52.31827 870.96068
2120.0000 -54.11864 -51.25409 2.86456 2.27962 -51.83278 954.39558
2125.0000 -54.50128 -51.62250 2.87878 2.33835 -51.34415 1013.89028
2130.0000 -54.51821 -51.54825 2.96996 2.30882 -51.58984 960.20621
2135.0000 -53.72060 -50.28015 3.44045 2.42313 -50.63874 1052.26538
2140.0000 -53.82840 -50.19318 3.63522 2.43601 -50.53155 1075.26303
2145.0000 -54.27317 -51.52171 2.75146 2.38488 -50.95702 1035.94977
2150.0000 -55.00460 -52.11434 2.89027 2.28925 -51.75265 942.96913
2155.0000 -54.65757 -52.03957 2.61800 2.34650 -51.27636 944.18738
2160.0000 -55.02295 -52.16666 2.85629 2.21183 -52.39687 805.80668
2165.0000 -55.46330 -51.57781 3.88549 2.30865 -51.59122 990.22451
2170.0000 -53.84380 -50.12148 3.72232 2.38958 -50.91785 1031.93618
2175.0000 -54.53631 -52.20503 2.33129 2.36279 -51.14081 1021.56625
2180.0000 -54.50188 -51.25960 3.24228 2.34218 -51.31227 997.55711
2185.0000 -55.00995 -51.41530 3.59465 2.38878 -50.92451 976.88365
2190.0000 -53.96594 -51.27559 2.69036 2.34791 -51.26456 964.16470
2195.0000 -55.04134 -52.21290 2.82844 2.32909 -51.42118 956.36052
2200.0000 -53.16790 -50.51672 2.65119 2.31886 -51.50628 988.14987
2205.0000 -53.74764 -50.53412 3.21352 2.45324 -50.38820 1085.04442
2210.0000 -53.04881 -50.37101 2.67780 2.46107 -50.32309 1122.65078
2215.0000 -54.38500 -52.00201 2.38299 2.35886 -51.17350 1018.75353
2220.0000 -54.82774 -52.13728 2.69046 2.26493 -51.95503 866.09915
2225.0000 -54.14779 -51.19586 2.95193 2.33028 -51.41131 931.48679
2230.0000 -55.64181 -52.34284 3.29898 2.31574 -51.53224 952.38005
2235.0000 -54.85815 -52.92331 1.93484 2.19198 -52.56197 874.53533
2240.0000 -54.43387 -51.18256 3.25131 2.23165 -52.23197 875.37425
2245.0000 -54.18034 -50.32650 3.85384 2.39542 -50.86930 1071.40933
2250.0000 -53.99499 -50.39224 3.60275 2.44538 -50.45359 1087.25777
FREEZING PROCESS: loop number 10 T-loop= 937.00000000000000
main_MD> interactions number 10 at Temperature= 937.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.30709 -0.50026 2.90977
force_rgl> df(natom) -3.76467 -1.75741 5.20115
2255.0000 -54.66177 -50.93186 3.72991 2.39491 -50.87354 1041.72760
2260.0000 -54.85781 -51.66405 3.19376 2.32585 -51.44814 961.53713
2265.0000 -54.68781 -51.40373 3.28408 2.32134 -51.48569 996.41964
2270.0000 -54.24298 -51.56818 2.67480 2.33103 -51.40509 1007.82250
2275.0000 -54.56400 -52.10856 2.45544 2.29424 -51.71115 919.09754
2280.0000 -54.02592 -51.32313 2.70280 2.30507 -51.62104 945.83681
2285.0000 -53.03918 -48.50806 4.53112 2.48630 -50.11317 1113.26066
2290.0000 -53.51703 -51.09924 2.41778 2.52260 -49.81108 1083.78658
2295.0000 -53.84453 -51.49935 2.34517 2.35697 -51.18923 904.72257
2300.0000 -55.02506 -51.03993 3.98513 2.35037 -51.24416 1017.11246
2305.0000 -55.60958 -53.21365 2.39593 2.27184 -51.89757 923.46669
2310.0000 -55.39652 -52.66920 2.72732 2.19424 -52.54317 846.70743
2315.0000 -54.80331 -51.13678 3.66654 2.29132 -51.73545 953.27943
2320.0000 -53.07912 -49.69749 3.38163 2.44473 -50.45899 1097.19197
2325.0000 -53.73931 -50.50630 3.23300 2.48242 -50.14546 1066.67503
2330.0000 -54.47851 -51.05635 3.42215 2.44609 -50.44773 1086.01541
2335.0000 -54.29734 -51.44848 2.84886 2.42432 -50.62886 1054.70884
2340.0000 -53.82297 -51.35771 2.46527 2.28853 -51.75869 890.82757
2345.0000 -54.01875 -50.70881 3.30994 2.37769 -51.01683 996.75281
2350.0000 -54.02484 -50.35356 3.67128 2.39649 -50.86037 1050.67155
2355.0000 -55.60265 -51.85910 3.74354 2.35979 -51.16579 1025.06770
2360.0000 -54.25669 -51.24332 3.01338 2.34204 -51.31348 968.85421
2365.0000 -54.24381 -51.21608 3.02772 2.28744 -51.76775 958.62301
2370.0000 -54.58706 -51.95949 2.62756 2.23955 -52.16617 882.09782
2375.0000 -54.82772 -51.89705 2.93068 2.29760 -51.68320 988.48768
2380.0000 -53.69854 -50.22589 3.47265 2.29367 -51.71591 962.50748
2385.0000 -53.00233 -50.37330 2.62903 2.53326 -49.72241 1182.42076
2390.0000 -53.84403 -51.33262 2.51140 2.38769 -50.93364 986.49886
2395.0000 -54.80594 -51.89196 2.91398 2.29692 -51.68884 935.66843
2400.0000 -55.83355 -53.20925 2.62430 2.14721 -52.93451 818.12354
2405.0000 -55.47336 -51.71542 3.75794 2.18934 -52.58398 870.22519
2410.0000 -54.70134 -52.09851 2.60284 2.23279 -52.22247 843.90782
2415.0000 -55.38768 -52.75709 2.63059 2.20731 -52.43447 890.09604
2420.0000 -55.12278 -52.38273 2.74005 2.18210 -52.64421 827.98434
2425.0000 -54.91279 -51.52546 3.38733 2.25287 -52.05533 854.37841
2430.0000 -53.39546 -50.59430 2.80116 2.28504 -51.78766 915.80244
2435.0000 -54.39482 -51.21630 3.17852 2.40163 -50.81762 1021.21064
2440.0000 -53.93520 -51.29407 2.64113 2.38643 -50.94412 1036.19216
2445.0000 -54.85070 -51.92830 2.92241 2.30366 -51.63277 850.87924
2450.0000 -55.50186 -52.75019 2.75167 2.19967 -52.49802 862.29909
2455.0000 -55.56463 -52.32773 3.23690 2.19807 -52.51134 859.47142
2460.0000 -55.21647 -52.00615 3.21032 2.26884 -51.92249 932.97579
2465.0000 -53.76393 -51.72227 2.04166 2.23898 -52.17092 857.56086
2470.0000 -54.54048 -51.96178 2.57870 2.36002 -51.16386 1016.85831
2475.0000 -55.94131 -52.80148 3.13983 2.20037 -52.49216 909.98907
2480.0000 -55.12600 -53.00746 2.11855 2.16082 -52.82125 880.16303
2485.0000 -54.95056 -53.34476 1.60580 2.07987 -53.49481 764.18123
2490.0000 -55.74986 -52.86212 2.88774 2.13388 -53.04544 819.31532
2495.0000 -54.88744 -51.35559 3.53185 2.23902 -52.17057 914.20556
2500.0000 -54.38804 -51.11940 3.26864 2.35845 -51.17688 1023.35240
FREEZING PROCESS: loop number 11 T-loop= 912.00000000000000
main_MD> interactions number 11 at Temperature= 912.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.78156 1.60736 1.86680
force_rgl> df(natom) 1.50771 0.70618 4.50225
2505.0000 -54.25862 -50.74594 3.51268 2.33877 -51.34066 949.77541
2510.0000 -55.32956 -51.46694 3.86263 2.39943 -50.83595 1073.23964
2515.0000 -55.34337 -52.74358 2.59980 2.17709 -52.68591 834.34364
2520.0000 -55.46334 -52.97653 2.48681 2.17319 -52.71831 853.75031
2525.0000 -55.50923 -52.55999 2.94924 2.15505 -52.86924 807.83869
2530.0000 -54.43671 -51.74744 2.68927 2.23871 -52.17320 892.32924
2535.0000 -56.41722 -52.04691 4.37031 2.28128 -51.81895 920.44828
2540.0000 -54.96164 -52.98171 1.97993 2.20062 -52.49014 854.46004
2545.0000 -55.09847 -52.80556 2.29290 2.13587 -53.02888 806.35013
2550.0000 -54.86945 -51.75955 3.10991 2.18283 -52.63816 850.38992
2555.0000 -54.36419 -51.58370 2.78049 2.22977 -52.24757 911.65461
2560.0000 -54.50770 -51.11647 3.39122 2.37404 -51.04715 1026.37652
2565.0000 -54.55205 -51.89437 2.65768 2.42176 -50.65011 1052.55860
2570.0000 -54.91376 -52.30023 2.61353 2.27404 -51.87925 867.39937
2575.0000 -54.42741 -51.77996 2.64745 2.27363 -51.88261 918.03956
2580.0000 -54.43190 -51.51414 2.91776 2.25735 -52.01807 943.40695
2585.0000 -55.24995 -52.42964 2.82030 2.29649 -51.69246 898.25330
2590.0000 -55.68012 -53.20194 2.47818 2.13155 -53.06481 781.17893
2595.0000 -53.97358 -51.55727 2.41630 2.23487 -52.20516 930.19654
2600.0000 -55.05993 -52.54506 2.51487 2.26531 -51.95190 917.41844
2605.0000 -54.51758 -52.21092 2.30666 2.22357 -52.29914 891.58503
2610.0000 -55.71998 -52.66456 3.05542 2.22911 -52.25302 898.28823
2615.0000 -55.15807 -52.57105 2.58702 2.18820 -52.59345 864.21811
2620.0000 -55.56849 -52.04263 3.52586 2.22111 -52.31962 844.96553
2625.0000 -55.03701 -52.15003 2.88698 2.21554 -52.36599 891.57725
2630.0000 -54.05270 -51.01243 3.04028 2.25838 -52.00953 917.98556
2635.0000 -54.78742 -52.01922 2.76820 2.34236 -51.31081 1001.28531
2640.0000 -54.68800 -52.05597 2.63203 2.28934 -51.75193 881.06270
2645.0000 -55.62007 -52.41109 3.20897 2.37676 -51.02452 1087.87282
2650.0000 -55.05263 -52.00205 3.05058 2.20851 -52.42444 835.24662
2655.0000 -55.43535 -52.76225 2.67310 2.19322 -52.55164 875.93015
2660.0000 -54.88890 -52.40012 2.48878 2.22241 -52.30877 837.84350
2665.0000 -54.26634 -50.70153 3.56482 2.23420 -52.21074 859.05725
2670.0000 -55.23431 -51.69200 3.54231 2.35621 -51.19551 1019.71590
2675.0000 -53.63200 -51.65741 1.97459 2.28905 -51.75430 938.96022
2680.0000 -53.48542 -50.39082 3.09460 2.41201 -50.73131 1036.92364
2685.0000 -55.48902 -51.12971 4.35932 2.45415 -50.38066 1111.38125
2690.0000 -55.68962 -52.44319 3.24642 2.29520 -51.70317 1014.98047
2695.0000 -54.63515 -51.41767 3.21748 2.25697 -52.02122 937.51142
2700.0000 -54.60669 -51.80073 2.80597 2.28743 -51.76783 976.81790
2705.0000 -54.15395 -51.03935 3.11461 2.35379 -51.21569 979.08569
2710.0000 -54.37142 -51.49658 2.87485 2.38419 -50.96277 963.93093
2715.0000 -55.04387 -51.97029 3.07357 2.27051 -51.90860 922.50909
2720.0000 -55.47657 -52.56544 2.91112 2.18275 -52.63875 882.09627
2725.0000 -54.89509 -52.73262 2.16247 2.22758 -52.26581 940.17121
2730.0000 -54.83426 -51.91651 2.91774 2.26903 -51.92094 925.58891
2735.0000 -54.35417 -51.88411 2.47005 2.28893 -51.75534 964.35789
2740.0000 -54.63196 -52.02694 2.60502 2.29138 -51.73493 924.74825
2745.0000 -54.86125 -52.14894 2.71231 2.26561 -51.94940 846.14750
2750.0000 -54.06010 -51.67028 2.38982 2.23062 -52.24051 869.94127
FREEZING PROCESS: loop number 12 T-loop= 887.00000000000000
main_MD> interactions number 12 at Temperature= 887.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85790 0.35443 2.86069
force_rgl> df(natom) -0.92984 -0.88065 -0.18505
2755.0000 -55.42918 -51.97360 3.45558 2.28070 -51.82377 976.07823
2760.0000 -54.80483 -52.13972 2.66511 2.23118 -52.23582 904.35534
2765.0000 -55.35836 -52.30995 3.04841 2.25112 -52.06994 933.92393
2770.0000 -53.81603 -50.91282 2.90320 2.28394 -51.79684 937.03093
2775.0000 -54.41325 -51.59302 2.82022 2.35984 -51.16533 1005.43329
2780.0000 -54.32773 -51.35103 2.97670 2.34374 -51.29926 985.05339
2785.0000 -54.89767 -52.01507 2.88260 2.28236 -51.80996 904.00225
2790.0000 -53.73229 -51.80073 1.93157 2.25614 -52.02815 908.14873
2795.0000 -54.30559 -51.46461 2.84098 2.25917 -52.00294 903.60956
2800.0000 -55.06927 -51.37933 3.68994 2.31797 -51.51373 908.85139
2805.0000 -54.42818 -51.98292 2.44527 2.28851 -51.75887 899.21810
2810.0000 -54.78009 -52.10985 2.67024 2.25261 -52.05753 908.42861
2815.0000 -54.11305 -51.21836 2.89470 2.29187 -51.73087 905.48589
2820.0000 -54.93472 -52.23811 2.69660 2.27707 -51.85399 870.61173
2825.0000 -54.98816 -52.17498 2.81318 2.27935 -51.83501 902.94842
2830.0000 -54.04184 -51.39815 2.64369 2.32055 -51.49221 954.22835
2835.0000 -54.69633 -52.22306 2.47327 2.29711 -51.68727 921.48249
2840.0000 -54.66218 -51.53460 3.12758 2.27600 -51.86291 914.95515
2845.0000 -55.20156 -51.86844 3.33313 2.26694 -51.93830 938.20131
2850.0000 -54.85777 -52.70152 2.15625 2.19438 -52.54198 857.26457
2855.0000 -55.42895 -52.73241 2.69654 2.10579 -53.27909 764.76117
2860.0000 -55.06242 -52.72200 2.34042 2.17699 -52.68674 870.40670
2865.0000 -55.93663 -52.85681 3.07982 2.16196 -52.81173 802.96054
2870.0000 -54.39285 -51.14229 3.25056 2.21301 -52.38700 867.38706
2875.0000 -54.34596 -50.23060 4.11536 2.43376 -50.55033 1081.54633
2880.0000 -53.04351 -49.50174 3.54177 2.49007 -50.08182 1151.99712
2885.0000 -54.27881 -51.27471 3.00410 2.45738 -50.35381 1089.77866
2890.0000 -54.89322 -52.09757 2.79565 2.30817 -51.59527 990.98231
2895.0000 -55.46602 -53.20623 2.25979 2.15043 -52.90770 837.16390
2900.0000 -55.09898 -52.71861 2.38037 2.11686 -53.18701 761.93545
2905.0000 -54.78495 -51.50284 3.28211 2.21395 -52.37920 888.36855
2910.0000 -55.29752 -51.99640 3.30112 2.27605 -51.86248 897.62406
2915.0000 -53.38787 -50.65391 2.73396 2.32530 -51.45276 938.16307
2920.0000 -54.54402 -52.11074 2.43327 2.35028 -51.24490 922.58855
2925.0000 -54.44704 -51.48008 2.96696 2.28346 -51.80086 936.48265
2930.0000 -54.52827 -51.44993 3.07834 2.27965 -51.83257 925.36345
2935.0000 -56.30870 -52.85986 3.44885 2.22887 -52.25506 893.41814
2940.0000 -55.78208 -53.21696 2.56511 2.11512 -53.20149 784.27269
2945.0000 -53.93487 -51.48305 2.45182 2.24500 -52.12086 898.46423
2950.0000 -53.95346 -52.50560 1.44786 2.28162 -51.81617 970.08167
2955.0000 -54.65934 -51.73335 2.92599 2.24217 -52.14442 897.51382
2960.0000 -54.24391 -50.80590 3.43801 2.32471 -51.45766 987.11097
2965.0000 -54.77551 -51.69579 3.07971 2.34332 -51.30282 1052.57489
2970.0000 -55.26977 -52.81062 2.45914 2.28836 -51.76009 943.61125
2975.0000 -54.82253 -52.68762 2.13491 2.17512 -52.70228 832.92846
2980.0000 -55.86484 -53.66360 2.20124 2.16052 -52.82377 794.39221
2985.0000 -55.05669 -51.86303 3.19366 2.18929 -52.58441 863.00168
2990.0000 -55.24553 -52.30673 2.93880 2.22970 -52.24818 805.18993
2995.0000 -54.24537 -51.29668 2.94869 2.25557 -52.03286 909.93037
3000.0000 -55.25847 -52.48043 2.77804 2.31766 -51.51626 988.96599
FREEZING PROCESS: loop number 13 T-loop= 862.00000000000000
main_MD> interactions number 13 at Temperature= 862.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41361 1.09763 -0.88434
force_rgl> df(natom) 0.50022 0.26590 -2.63113
3005.0000 -55.58540 -53.08876 2.49663 2.17813 -52.67724 862.83019
3010.0000 -55.66978 -53.06867 2.60111 2.16840 -52.75820 832.20528
3015.0000 -55.80766 -53.00461 2.80305 2.17097 -52.73679 819.33669
3020.0000 -54.07796 -51.44886 2.62910 2.19674 -52.52237 841.76810
3025.0000 -55.20307 -51.98416 3.21891 2.25561 -52.03256 891.75867
3030.0000 -55.62526 -52.51327 3.11199 2.27593 -51.86350 931.03275
3035.0000 -55.69844 -52.92198 2.77647 2.21020 -52.41039 902.39599
3040.0000 -53.98283 -50.82796 3.15487 2.30497 -51.62188 978.17649
3045.0000 -54.43439 -51.89241 2.54199 2.33858 -51.34223 990.15404
3050.0000 -55.28434 -52.43171 2.85263 2.26630 -51.94362 857.95999
3055.0000 -55.15729 -51.95718 3.20012 2.20188 -52.47962 871.47677
3060.0000 -55.17048 -52.81277 2.35771 2.21040 -52.40870 856.21278
3065.0000 -56.25798 -54.28557 1.97240 2.09000 -53.41052 762.88252
3070.0000 -56.22474 -54.13054 2.09420 2.05398 -53.71018 708.08865
3075.0000 -55.37381 -52.71010 2.66371 2.09585 -53.36183 820.50589
3080.0000 -55.47269 -53.03954 2.43315 2.14582 -52.94603 839.23856
3085.0000 -55.06307 -51.60732 3.45575 2.21956 -52.33251 909.03971
3090.0000 -54.70769 -52.09251 2.61518 2.27603 -51.86267 962.51990
3095.0000 -54.63786 -51.96589 2.67197 2.20578 -52.44717 848.84985
3100.0000 -55.50051 -52.28477 3.21574 2.25702 -52.02086 880.78850
3105.0000 -54.25436 -51.85980 2.39456 2.24706 -52.10367 856.64128
3110.0000 -55.60314 -52.33304 3.27011 2.29586 -51.69767 930.69851
3115.0000 -55.46737 -53.17008 2.29729 2.20934 -52.41758 886.09697
3120.0000 -54.90130 -52.19037 2.71093 2.18425 -52.62634 848.29739
3125.0000 -54.55121 -52.06993 2.48128 2.27121 -51.90281 926.68621
3130.0000 -54.87947 -52.20836 2.67111 2.24078 -52.15596 858.21591
3135.0000 -54.45339 -51.29587 3.15752 2.30001 -51.66317 981.45757
3140.0000 -54.70102 -52.62355 2.07746 2.18730 -52.60096 842.40583
3145.0000 -55.23307 -52.54450 2.68857 2.21057 -52.40733 866.82218
3150.0000 -54.29431 -51.21278 3.08153 2.26636 -51.94308 936.90953
3155.0000 -54.91607 -52.33386 2.58221 2.30348 -51.63429 969.09131
3160.0000 -55.66603 -53.76649 1.89954 2.10944 -53.24875 778.47664
3165.0000 -56.15960 -53.77772 2.38188 2.02763 -53.92941 693.70715
3170.0000 -54.91717 -52.19757 2.71960 2.14019 -52.99293 813.01599
3175.0000 -55.23738 -51.84845 3.38893 2.24708 -52.10354 951.23968
3180.0000 -55.29234 -52.70638 2.58596 2.21128 -52.40143 847.80507
3185.0000 -54.50394 -51.49341 3.01053 2.22942 -52.25044 941.78166
3190.0000 -55.29212 -51.95152 3.34061 2.31347 -51.55111 994.46948
3195.0000 -55.62005 -52.97602 2.64403 2.20897 -52.42063 890.49343
3200.0000 -55.13542 -52.18844 2.94698 2.12613 -53.10991 831.23092
3205.0000 -55.87009 -53.56090 2.30919 2.13848 -53.00716 761.71560
3210.0000 -55.61258 -53.32288 2.28970 2.11358 -53.21431 804.14758
3215.0000 -55.49803 -53.58877 1.90925 2.08494 -53.45262 763.94369
3220.0000 -54.80070 -52.62240 2.17830 2.15428 -52.87565 793.55510
3225.0000 -55.22795 -52.12012 3.10783 2.23225 -52.22697 882.32615
3230.0000 -55.29160 -52.51643 2.77517 2.20110 -52.48610 851.38753
3235.0000 -55.62236 -53.08593 2.53643 2.17438 -52.70843 877.26691
3240.0000 -55.62240 -53.63512 1.98728 2.06039 -53.65689 779.68981
3245.0000 -55.90831 -52.47347 3.43485 2.14722 -52.93441 804.19586
3250.0000 -54.90663 -51.36684 3.53979 2.22089 -52.32146 883.57363
FREEZING PROCESS: loop number 14 T-loop= 837.00000000000000
main_MD> interactions number 14 at Temperature= 837.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.85240 1.53755 -0.23016
force_rgl> df(natom) -2.12589 2.60388 -1.95196
3255.0000 -55.95728 -53.31647 2.64082 2.18703 -52.60314 858.64072
3260.0000 -55.96247 -53.43951 2.52296 2.11725 -53.18380 797.44636
3265.0000 -54.70426 -52.10372 2.60054 2.16995 -52.74530 816.57720
3270.0000 -55.01465 -51.93697 3.07768 2.25774 -52.01482 930.31564
3275.0000 -55.21157 -52.77374 2.43783 2.23134 -52.23447 865.54224
3280.0000 -55.86909 -53.20887 2.66022 2.07785 -53.51160 761.00280
3285.0000 -54.57795 -52.11198 2.46598 2.23476 -52.20608 899.15770
3290.0000 -55.44713 -53.01366 2.43347 2.16362 -52.79793 824.43389
3295.0000 -56.21724 -53.77564 2.44160 2.17379 -52.71337 859.87553
3300.0000 -55.47167 -52.41133 3.06034 2.09371 -53.37962 785.14776
3305.0000 -55.00287 -52.13068 2.87219 2.18917 -52.58536 836.59301
3310.0000 -55.07457 -51.85820 3.21637 2.22511 -52.28630 903.54195
3315.0000 -54.86890 -52.50430 2.36460 2.23544 -52.20043 861.83594
3320.0000 -55.87268 -53.34310 2.52957 2.16443 -52.79118 818.57348
3325.0000 -54.84425 -52.16995 2.67430 2.19036 -52.57547 845.69213
3330.0000 -54.96976 -52.51220 2.45756 2.29776 -51.68186 967.36832
3335.0000 -55.85383 -52.84356 3.01027 2.21091 -52.40450 818.29249
3340.0000 -55.29171 -52.49319 2.79852 2.19683 -52.52161 889.71217
3345.0000 -55.90264 -53.89887 2.00376 2.07037 -53.57380 710.84518
3350.0000 -56.19261 -54.03727 2.15534 2.05136 -53.73197 756.12968
3355.0000 -54.75737 -52.08611 2.67126 2.09420 -53.37557 795.35966
3360.0000 -54.45490 -51.70577 2.74913 2.21356 -52.38244 887.63799
3365.0000 -53.90320 -51.03036 2.87283 2.30185 -51.64780 875.80327
3370.0000 -54.72441 -51.94837 2.77603 2.31924 -51.50311 986.95651
3375.0000 -55.13036 -52.07794 3.05242 2.22200 -52.31225 877.19619
3380.0000 -55.22145 -52.46284 2.75861 2.19599 -52.52864 833.03795
3385.0000 -56.09585 -53.56961 2.52624 2.15939 -52.83313 817.08296
3390.0000 -56.11065 -54.19751 1.91313 2.04093 -53.81879 710.84228
3395.0000 -55.81379 -53.63770 2.17609 2.02247 -53.97240 653.31608
3400.0000 -55.95689 -53.65511 2.30177 2.02719 -53.93307 693.80721
3405.0000 -55.87179 -53.36564 2.50616 2.11373 -53.21309 800.90773
3410.0000 -55.66451 -53.41641 2.24810 2.11339 -53.21592 780.81449
3415.0000 -55.85275 -52.36014 3.49261 2.13362 -53.04757 760.28105
3420.0000 -55.43802 -52.95342 2.48460 2.16917 -52.75179 828.76766
3425.0000 -55.44256 -52.45340 2.98916 2.21404 -52.37846 886.13600
3430.0000 -54.57462 -51.92676 2.64786 2.21151 -52.39952 835.24244
3435.0000 -55.63021 -52.78173 2.84848 2.24627 -52.11030 922.47047
3440.0000 -54.84351 -52.36725 2.47626 2.23319 -52.21914 951.52741
3445.0000 -55.91375 -53.42987 2.48388 2.13239 -53.05779 840.62339
3450.0000 -55.76827 -53.60332 2.16496 2.03282 -53.88622 703.38654
3455.0000 -55.78822 -53.49641 2.29181 2.09842 -53.34044 791.08860
3460.0000 -55.31535 -52.66893 2.64642 2.12195 -53.14470 823.03617
3465.0000 -55.05883 -52.86603 2.19280 2.17777 -52.68021 784.65377
3470.0000 -55.18829 -52.48807 2.70022 2.18458 -52.62355 798.64192
3475.0000 -54.49037 -51.02556 3.46481 2.28371 -51.79874 955.47589
3480.0000 -54.59567 -51.79233 2.80334 2.28678 -51.77321 916.65588
3485.0000 -56.59093 -53.36531 3.22562 2.16467 -52.78924 795.70111
3490.0000 -56.20946 -53.47563 2.73383 2.09826 -53.34176 777.77389
3495.0000 -56.05800 -53.96399 2.09401 2.07918 -53.50052 753.39127
3500.0000 -55.92865 -53.45236 2.47630 2.03768 -53.84586 687.54790
FREEZING PROCESS: loop number 15 T-loop= 812.00000000000000
main_MD> interactions number 15 at Temperature= 812.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.96995 2.17934 -4.96424
force_rgl> df(natom) 0.48944 1.47185 -5.01440
3505.0000 -56.04610 -53.87228 2.17382 2.08737 -53.43242 724.41904
3510.0000 -55.72079 -53.09079 2.62999 2.03071 -53.90385 683.97364
3515.0000 -55.32773 -52.91127 2.41646 2.07228 -53.55790 773.94591
3520.0000 -55.42707 -52.90534 2.52172 2.15557 -52.86497 810.98204
3525.0000 -55.27032 -52.67498 2.59534 2.15327 -52.88411 815.10081
3530.0000 -55.50386 -53.23696 2.26690 2.12256 -53.13963 780.22818
3535.0000 -55.80195 -52.96438 2.83757 2.14522 -52.95105 790.54516
3540.0000 -55.68004 -53.25806 2.42198 2.09859 -53.33904 755.42638
3545.0000 -55.39197 -53.26471 2.12726 2.10902 -53.25223 790.07128
3550.0000 -55.82048 -53.31540 2.50508 2.16392 -52.79548 820.64909
3555.0000 -54.66711 -52.71972 1.94739 2.12694 -53.10313 787.03348
3560.0000 -54.17452 -51.87517 2.29935 2.27467 -51.87397 909.51469
3565.0000 -54.80257 -52.08435 2.71822 2.23955 -52.16622 842.73666
3570.0000 -55.29711 -51.76291 3.53419 2.28874 -51.75696 945.50007
3575.0000 -54.68251 -53.13717 1.54535 2.20425 -52.45991 800.99319
3580.0000 -55.51974 -53.31231 2.20744 2.08604 -53.44345 727.59009
3585.0000 -55.10696 -52.37320 2.73376 2.16417 -52.79339 816.96231
3590.0000 -54.43399 -51.95992 2.47406 2.24080 -52.15582 922.74897
3595.0000 -53.99680 -50.94834 3.04846 2.24765 -52.09883 885.10527
3600.0000 -54.87450 -52.12532 2.74918 2.31446 -51.54291 937.87053
3605.0000 -55.19387 -53.02611 2.16776 2.20357 -52.46559 839.23948
3610.0000 -55.40622 -53.21835 2.18787 2.12697 -53.10288 771.85134
3615.0000 -55.64299 -53.10330 2.53969 2.15098 -52.90315 781.84350
3620.0000 -55.42613 -52.73244 2.69369 2.16081 -52.82131 839.61560
3625.0000 -54.95764 -52.27190 2.68574 2.16563 -52.78127 817.33938
3630.0000 -55.03625 -51.27400 3.76225 2.27710 -51.85380 997.87655
3635.0000 -54.75764 -52.95595 1.80169 2.28620 -51.77807 902.98056
3640.0000 -55.03545 -52.51301 2.52245 2.13570 -53.03024 781.01362
3645.0000 -55.80385 -53.43828 2.36557 2.11532 -53.19983 780.58374
3650.0000 -55.82968 -53.60615 2.22352 2.08594 -53.44429 757.21503
3655.0000 -55.94981 -53.13797 2.81185 2.10950 -53.24822 777.25051
3660.0000 -55.30335 -51.91638 3.38697 2.17151 -52.73228 809.65900
3665.0000 -55.29251 -52.04929 3.24322 2.20861 -52.42363 879.90595
3670.0000 -55.18156 -52.98837 2.19319 2.15771 -52.84714 832.13977
3675.0000 -55.59274 -53.49920 2.09355 2.12423 -53.12570 800.64240
3680.0000 -54.90363 -52.81876 2.08488 2.21894 -52.33767 880.27831
3685.0000 -55.80584 -53.33966 2.46618 2.10173 -53.31291 740.77254
3690.0000 -55.22524 -53.05155 2.17369 2.11618 -53.19266 758.83425
3695.0000 -54.95527 -51.45413 3.50114 2.16593 -52.77874 782.43237
3700.0000 -56.45002 -53.86400 2.58601 2.22590 -52.27979 922.60363
3705.0000 -54.92108 -52.14039 2.78068 2.13971 -52.99690 797.96096
3710.0000 -56.48446 -53.62321 2.86125 2.14454 -52.95673 869.99359
3715.0000 -56.04474 -53.86892 2.17582 2.05050 -53.73913 701.18585
3720.0000 -54.82110 -52.00114 2.81996 2.11715 -53.18457 783.20504
3725.0000 -55.31013 -52.74468 2.56544 2.17871 -52.67238 861.90199
3730.0000 -55.52690 -53.82401 1.70289 2.10317 -53.30095 765.47474
3735.0000 -55.48164 -52.76664 2.71501 2.06338 -53.63200 715.03144
3740.0000 -55.87464 -53.78313 2.09151 2.15613 -52.86025 849.73165
3745.0000 -55.32016 -53.20167 2.11850 2.08124 -53.48338 761.39378
3750.0000 -55.84600 -53.75179 2.09421 2.04850 -53.75583 704.81680
FREEZING PROCESS: loop number 16 T-loop= 787.00000000000000
main_MD> interactions number 16 at Temperature= 787.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.80449 4.84566 1.46150
force_rgl> df(natom) 1.22962 1.52270 -1.00440
3755.0000 -56.25993 -53.86067 2.39927 2.01073 -54.07003 680.70547
3760.0000 -56.28099 -53.81690 2.46409 2.06104 -53.65148 745.61730
3765.0000 -56.15303 -54.35270 1.80033 2.02329 -53.96557 696.88660
3770.0000 -56.38194 -54.68458 1.69736 1.97026 -54.40680 651.36909
3775.0000 -55.35084 -53.29627 2.05457 2.02357 -53.96320 686.43627
3780.0000 -56.90115 -54.22928 2.67187 2.06072 -53.65408 734.63604
3785.0000 -54.49915 -52.18651 2.31264 2.09117 -53.40074 796.45855
3790.0000 -54.82051 -52.14273 2.67778 2.17748 -52.68268 823.93833
3795.0000 -55.01283 -52.67168 2.34115 2.23089 -52.23823 909.44219
3800.0000 -55.37832 -52.88988 2.48844 2.24216 -52.14451 946.20441
3805.0000 -56.22354 -53.43983 2.78371 2.09918 -53.33413 781.57018
3810.0000 -55.33647 -52.93296 2.40351 2.11753 -53.18145 804.30910
3815.0000 -54.66898 -52.13311 2.53588 2.21276 -52.38907 858.84681
3820.0000 -55.09561 -52.63219 2.46342 2.24889 -52.08849 924.52977
3825.0000 -55.44420 -52.40324 3.04096 2.19382 -52.54667 847.13692
3830.0000 -56.08151 -53.31870 2.76282 2.13385 -53.04564 780.13383
3835.0000 -55.20044 -52.99076 2.20967 2.06258 -53.63861 740.20375
3840.0000 -54.75660 -52.34043 2.41617 2.16688 -52.77082 817.75523
3845.0000 -56.63555 -54.26580 2.36975 2.12003 -53.16064 723.07971
3850.0000 -55.62889 -53.08542 2.54346 2.04083 -53.81961 656.95759
3855.0000 -56.23194 -53.64058 2.59136 2.08581 -53.44538 749.66669
3860.0000 -55.28585 -53.26398 2.02187 2.12226 -53.14208 789.00272
3865.0000 -56.05450 -52.87628 3.17823 2.09231 -53.39127 742.30917
3870.0000 -56.42152 -53.61690 2.80462 2.08767 -53.42990 734.67568
3875.0000 -55.56075 -53.33076 2.22999 2.11823 -53.17564 819.65758
3880.0000 -55.73707 -53.05293 2.68413 2.13417 -53.04302 804.86552
3885.0000 -55.01123 -52.21244 2.79879 2.15379 -52.87973 855.49349
3890.0000 -55.06783 -52.77160 2.29623 2.17934 -52.66712 813.48105
3895.0000 -55.84126 -52.92813 2.91313 2.14861 -52.92283 806.40081
3900.0000 -55.39850 -52.44305 2.95545 2.15310 -52.88552 829.56633
3905.0000 -55.79576 -52.83292 2.96284 2.13108 -53.06869 803.66055
3910.0000 -56.63602 -54.18207 2.45395 2.06656 -53.60554 751.83618
3915.0000 -56.29145 -54.02923 2.26222 2.03583 -53.86118 703.61420
3920.0000 -55.76514 -53.10752 2.65762 2.06461 -53.62175 723.76602
3925.0000 -55.55063 -52.97996 2.57067 2.06604 -53.60983 732.79830
3930.0000 -55.70190 -53.36385 2.33804 2.14759 -52.93132 817.25530
3935.0000 -55.24101 -52.88739 2.35362 2.07430 -53.54117 732.36614
3940.0000 -55.90906 -53.52692 2.38214 2.12444 -53.12398 811.07357
3945.0000 -55.42914 -52.94496 2.48419 2.12091 -53.15332 795.09161
3950.0000 -55.40247 -52.22291 3.17956 2.15701 -52.85293 859.64958
3955.0000 -54.57886 -51.97298 2.60588 2.18375 -52.63045 861.96863
3960.0000 -55.09603 -51.96807 3.12796 2.27393 -51.88018 921.24111
3965.0000 -54.85548 -52.28678 2.56870 2.20807 -52.42813 889.90289
3970.0000 -55.91146 -53.58523 2.32624 2.18788 -52.59608 847.06122
3975.0000 -56.00338 -53.23651 2.76687 2.09829 -53.34155 773.10575
3980.0000 -55.01985 -52.58408 2.43577 2.12627 -53.10872 830.95489
3985.0000 -55.63891 -53.01887 2.62004 2.19532 -52.53417 897.91578
3990.0000 -55.63079 -52.89867 2.73212 2.15553 -52.86525 815.00406
3995.0000 -54.89321 -52.69000 2.20320 2.14541 -52.94943 811.11315
4000.0000 -54.54974 -52.74865 1.80109 2.18015 -52.66041 852.17892
FREEZING PROCESS: loop number 17 T-loop= 762.00000000000000
main_MD> interactions number 17 at Temperature= 762.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89779 0.86348 1.13938
force_rgl> df(natom) 4.39413 -1.00815 -1.98514
4005.0000 -55.28856 -53.28000 2.00855 2.08926 -53.41665 763.03022
4010.0000 -55.69092 -53.05102 2.63990 2.06924 -53.58320 719.54182
4015.0000 -56.19983 -53.74060 2.45923 2.14361 -52.96443 824.63659
4020.0000 -55.78409 -53.45157 2.33252 2.12240 -53.14090 753.27158
4025.0000 -56.21185 -53.61279 2.59906 2.05819 -53.67518 677.64203
4030.0000 -56.28628 -53.73877 2.54750 2.09864 -53.33861 787.57814
4035.0000 -56.42394 -54.06625 2.35769 1.99808 -54.17527 669.67862
4040.0000 -55.48796 -53.23293 2.25503 2.09476 -53.37091 761.12384
4045.0000 -55.23796 -52.28697 2.95099 2.20764 -52.43166 884.71279
4050.0000 -55.46750 -52.69598 2.77153 2.18110 -52.65248 813.94527
4055.0000 -55.47452 -53.78315 1.69137 2.03569 -53.86239 701.50357
4060.0000 -56.00665 -53.81215 2.19450 2.04451 -53.78902 710.94860
4065.0000 -55.25437 -53.20890 2.04547 2.07283 -53.55340 719.59521
4070.0000 -56.06231 -53.36888 2.69343 2.09397 -53.37743 770.06859
4075.0000 -55.28016 -53.18646 2.09370 2.06604 -53.60985 715.85745
4080.0000 -55.68709 -53.03757 2.64952 2.17292 -52.72060 790.48205
4085.0000 -56.53940 -54.09618 2.44323 2.08945 -53.41504 737.30527
4090.0000 -56.33381 -53.49150 2.84231 2.07872 -53.50437 746.26090
4095.0000 -55.89382 -53.84357 2.05024 2.03313 -53.88366 712.43073
4100.0000 -54.51414 -52.46572 2.04841 2.20572 -52.44763 886.41149
4105.0000 -54.89064 -52.20027 2.69037 2.19061 -52.57338 775.64319
4110.0000 -54.84706 -52.26735 2.57971 2.18494 -52.62060 843.10778
4115.0000 -55.67591 -53.34226 2.33365 2.14578 -52.94642 799.29996
4120.0000 -55.20056 -52.79228 2.40828 2.09989 -53.32819 757.77200
4125.0000 -55.74879 -53.61607 2.13271 2.12396 -53.12792 812.07420
4130.0000 -55.94007 -53.12368 2.81639 2.10725 -53.26700 718.42493
4135.0000 -55.57426 -53.62714 1.94712 2.11829 -53.17510 782.83557
4140.0000 -55.43835 -53.13557 2.30277 2.10759 -53.26416 757.96057
4145.0000 -55.66672 -53.24796 2.41876 2.13812 -53.01016 777.26381
4150.0000 -55.46518 -53.29141 2.17376 2.13187 -53.06211 781.40729
4155.0000 -55.50163 -53.29224 2.20938 2.09149 -53.39809 775.03764
4160.0000 -55.39952 -52.85286 2.54666 2.10365 -53.29696 763.49667
4165.0000 -56.06542 -54.06856 1.99686 2.06555 -53.61395 718.61622
4170.0000 -55.82282 -53.70046 2.12236 2.04292 -53.80225 702.48471
4175.0000 -56.23422 -54.17213 2.06209 2.04010 -53.82565 718.90490
4180.0000 -55.13544 -53.67846 1.45698 2.04134 -53.81539 681.04575
4185.0000 -55.96098 -54.44687 1.51411 2.05659 -53.68851 710.08624
4190.0000 -56.30296 -54.33368 1.96928 1.96786 -54.42678 611.36424
4195.0000 -56.64485 -54.46722 2.17763 1.97983 -54.32717 658.59580
4200.0000 -55.52257 -53.36558 2.15698 2.06315 -53.63393 723.56488
4205.0000 -56.45373 -53.87752 2.57620 2.08696 -53.43583 738.66898
4210.0000 -56.66091 -53.62013 3.04078 2.05263 -53.72140 737.58329
4215.0000 -55.76998 -53.84243 1.92756 2.07761 -53.51359 727.25805
4220.0000 -56.26017 -54.04280 2.21737 2.04198 -53.81005 703.07305
4225.0000 -56.42108 -54.32227 2.09881 2.03373 -53.87865 696.26959
4230.0000 -55.93554 -53.46715 2.46839 2.03632 -53.85713 691.27062
4235.0000 -56.03843 -54.16827 1.87016 2.05852 -53.67239 705.25343
4240.0000 -55.94231 -53.90444 2.03787 1.98217 -54.30770 632.98150
4245.0000 -56.17713 -53.53243 2.64470 2.10416 -53.29268 750.71110
4250.0000 -54.78200 -52.16672 2.61527 2.04907 -53.75102 699.92828
FREEZING PROCESS: loop number 18 T-loop= 737.00000000000000
main_MD> interactions number 18 at Temperature= 737.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.36672 0.46155 2.64618
force_rgl> df(natom) -0.84623 -1.27409 -2.70612
4255.0000 -54.93427 -52.19529 2.73899 2.21643 -52.35853 877.90807
4260.0000 -55.39074 -52.46552 2.92522 2.23518 -52.20254 857.30667
4265.0000 -55.84252 -53.70925 2.13327 2.17122 -52.73469 818.49570
4270.0000 -56.40896 -54.13933 2.26962 2.04748 -53.76431 717.77585
4275.0000 -55.91393 -53.47166 2.44228 2.03690 -53.85232 705.06552
4280.0000 -55.72981 -53.62685 2.10296 2.10883 -53.25386 727.74766
4285.0000 -54.73948 -53.16667 1.57281 2.09143 -53.39864 797.31879
4290.0000 -54.95786 -52.86175 2.09611 2.12593 -53.11159 815.65894
4295.0000 -55.55803 -52.68719 2.87084 2.16650 -52.77403 835.32633
4300.0000 -54.98457 -52.88594 2.09863 2.16167 -52.81417 819.32521
4305.0000 -55.42824 -53.29600 2.13224 2.10277 -53.30422 755.05247
4310.0000 -55.43548 -53.03057 2.40491 2.12162 -53.14743 781.85465
4315.0000 -56.33025 -53.51406 2.81619 2.14992 -52.91190 816.87920
4320.0000 -54.47798 -51.86505 2.61293 2.20740 -52.43371 874.77752
4325.0000 -55.85184 -53.19919 2.65265 2.14622 -52.94274 780.79037
4330.0000 -56.17554 -54.00243 2.17311 2.08471 -53.45448 752.10594
4335.0000 -56.01377 -53.70132 2.31245 2.07148 -53.56458 746.45260
4340.0000 -55.71795 -52.85567 2.86228 2.14580 -52.94621 854.49028
4345.0000 -54.93794 -52.60924 2.32870 2.24701 -52.10414 884.53354
4350.0000 -55.72212 -53.23378 2.48834 2.16351 -52.79886 810.19194
4355.0000 -56.39075 -54.03380 2.35695 2.03262 -53.88789 693.79337
4360.0000 -55.48046 -53.37497 2.10549 2.09246 -53.39003 772.22108
4365.0000 -56.64343 -54.78682 1.85661 1.96877 -54.41920 647.63699
4370.0000 -56.09443 -54.01931 2.07513 1.97788 -54.34341 605.62975
4375.0000 -56.22326 -53.67378 2.54948 2.06639 -53.60695 718.45263
4380.0000 -55.82909 -53.63881 2.19027 2.06588 -53.61120 704.44271
4385.0000 -55.72150 -53.26858 2.45293 2.06878 -53.58703 730.72406
4390.0000 -55.10593 -53.03013 2.07580 2.16258 -52.80663 831.23301
4395.0000 -55.51025 -53.31907 2.19117 2.11149 -53.23168 709.64655
4400.0000 -55.43359 -52.54706 2.88653 2.12717 -53.10120 798.19287
4405.0000 -55.86375 -53.77618 2.08757 2.11650 -53.19004 751.28312
4410.0000 -56.75738 -54.52514 2.23224 2.00042 -54.15585 629.11690
4415.0000 -55.99986 -53.65539 2.34447 2.01238 -54.05636 721.61048
4420.0000 -56.57798 -53.97279 2.60519 2.05985 -53.66137 710.22783
4425.0000 -56.33074 -54.05256 2.27817 2.04793 -53.76053 732.64521
4430.0000 -56.26851 -54.28181 1.98670 1.98990 -54.24335 648.32883
4435.0000 -55.83455 -52.79959 3.03495 2.06435 -53.62388 709.34846
4440.0000 -56.40792 -54.27260 2.13532 2.08946 -53.41501 779.40057
4445.0000 -56.34947 -53.27553 3.07394 2.04989 -53.74424 754.68904
4450.0000 -54.88200 -52.16971 2.71229 2.15689 -52.85399 852.82571
4455.0000 -55.68591 -52.92123 2.76469 2.17314 -52.71871 848.03948
4460.0000 -55.04659 -52.38671 2.65988 2.15672 -52.85537 758.16828
4465.0000 -55.55277 -52.92191 2.63086 2.17616 -52.69361 769.40420
4470.0000 -55.16013 -51.79653 3.36360 2.17368 -52.71426 810.37019
4475.0000 -55.98699 -51.58842 4.39857 2.26712 -51.93677 937.78979
4480.0000 -55.79884 -52.69044 3.10839 2.17126 -52.73443 807.10997
4485.0000 -55.01227 -52.71585 2.29641 2.18217 -52.64363 885.39382
4490.0000 -55.64157 -53.46346 2.17812 2.11054 -53.23961 732.77214
4495.0000 -54.45435 -52.29828 2.15608 2.14389 -52.96215 802.34770
4500.0000 -54.85090 -52.56694 2.28397 2.26810 -51.92867 929.33543
FREEZING PROCESS: loop number 19 T-loop= 712.00000000000000
main_MD> interactions number 19 at Temperature= 712.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07622 0.49121 -1.78640
force_rgl> df(natom) 2.22354 -1.51598 0.09959
4505.0000 -55.03381 -52.39829 2.63552 2.19924 -52.50161 822.76669
4510.0000 -55.64131 -52.84877 2.79254 2.14333 -52.96679 737.48905
4515.0000 -56.09948 -54.27678 1.82270 2.07727 -53.51640 774.40743
4520.0000 -55.35210 -54.02969 1.32240 1.99202 -54.22571 619.94663
4525.0000 -56.32213 -54.58655 1.73558 1.96438 -54.45567 633.56131
4530.0000 -55.94386 -54.00420 1.93967 1.98153 -54.31300 639.87148
4535.0000 -54.92665 -52.21409 2.71257 2.15061 -52.90621 845.53371
4540.0000 -55.24805 -53.14798 2.10007 2.14872 -52.92194 823.01287
4545.0000 -55.43666 -53.41401 2.02266 2.07265 -53.55487 741.70459
4550.0000 -55.86595 -54.01579 1.85016 2.06633 -53.60748 734.63013
4555.0000 -57.09226 -54.61215 2.48011 2.00360 -54.12939 691.74421
4560.0000 -56.64227 -54.52973 2.11254 1.92846 -54.75455 597.27643
4565.0000 -56.68971 -54.86084 1.82887 1.96771 -54.42800 617.60767
4570.0000 -57.10002 -55.08772 2.01230 1.90995 -54.90859 571.58574
4575.0000 -56.72939 -54.83526 1.89413 1.88598 -55.10801 535.17279
4580.0000 -56.29418 -54.32806 1.96612 1.96256 -54.47082 653.49401
4585.0000 -56.24558 -54.09000 2.15558 2.02179 -53.97801 678.17213
4590.0000 -55.51527 -52.86105 2.65421 2.09410 -53.37641 767.51837
4595.0000 -55.43745 -52.53533 2.90212 2.20162 -52.48181 836.19921
4600.0000 -55.34598 -53.29707 2.04892 2.15314 -52.88518 879.17670
4605.0000 -55.48470 -53.75634 1.72836 2.03737 -53.84840 661.23689
4610.0000 -55.59129 -53.15607 2.43522 2.06926 -53.58307 684.57837
4615.0000 -56.01071 -54.02530 1.98541 2.04450 -53.78906 726.26016
4620.0000 -56.51931 -54.24187 2.27744 2.05761 -53.68003 744.56693
4625.0000 -56.16910 -54.33984 1.82926 2.03619 -53.85824 694.43397
4630.0000 -56.28101 -54.12778 2.15322 1.98745 -54.26372 646.39495
4635.0000 -56.31141 -53.80753 2.50388 2.01411 -54.04193 662.37830
4640.0000 -56.00757 -53.58551 2.42206 2.02923 -53.91614 686.07599
4645.0000 -56.16416 -53.87141 2.29275 2.03261 -53.88804 708.57995
4650.0000 -55.75401 -53.32116 2.43285 2.02892 -53.91871 699.49219
4655.0000 -55.82733 -53.25462 2.57271 2.08864 -53.42182 632.45934
4660.0000 -56.04584 -53.38754 2.65830 2.06652 -53.60588 713.13757
4665.0000 -55.47314 -53.51590 1.95724 2.07178 -53.56212 733.08791
4670.0000 -55.98953 -54.19136 1.79817 2.07290 -53.55279 745.30120
4675.0000 -55.68169 -53.65038 2.03131 1.97360 -54.37896 652.50250
4680.0000 -55.23062 -53.64726 1.58336 2.04394 -53.79371 711.98061
4685.0000 -56.53708 -54.28209 2.25498 2.03113 -53.90030 691.78661
4690.0000 -56.08970 -53.54234 2.54736 2.03838 -53.83997 683.20865
4695.0000 -56.71673 -54.22520 2.49153 2.02230 -53.97375 646.31410
4700.0000 -56.07381 -53.77003 2.30378 2.02380 -53.96134 725.82516
4705.0000 -55.36442 -51.71597 3.64845 2.13201 -53.06095 812.45852
4710.0000 -55.84078 -53.40129 2.43950 2.15355 -52.88176 809.83083
4715.0000 -55.67023 -53.85457 1.81566 2.05086 -53.73615 722.32487
4720.0000 -55.98663 -53.64872 2.33791 2.02937 -53.91493 672.30305
4725.0000 -55.24457 -53.61457 1.63000 2.05057 -53.73860 743.23570
4730.0000 -56.22698 -53.95828 2.26870 2.02617 -53.94160 709.59613
4735.0000 -56.21811 -54.29302 1.92510 2.01523 -54.03260 706.51008
4740.0000 -56.31977 -54.18744 2.13233 2.01453 -54.03842 710.99278
4745.0000 -55.72534 -53.85054 1.87480 2.01747 -54.01395 690.08216
4750.0000 -54.99011 -52.56404 2.42607 2.09267 -53.38824 750.80415
FREEZING PROCESS: loop number 20 T-loop= 687.00000000000000
main_MD> interactions number 20 at Temperature= 687.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71243 0.38461 -2.57913
force_rgl> df(natom) 1.15904 -3.45192 -2.32485
4755.0000 -55.67767 -53.10096 2.57671 2.12025 -53.15881 768.78887
4760.0000 -55.19582 -52.69117 2.50465 2.12802 -53.09415 803.73487
4765.0000 -56.10642 -52.91101 3.19541 2.16624 -52.77615 844.57747
4770.0000 -55.13416 -52.33622 2.79794 2.14300 -52.96948 768.39798
4775.0000 -56.00027 -53.67640 2.32386 2.13622 -53.02590 722.31227
4780.0000 -56.26458 -53.73773 2.52685 2.02366 -53.96249 664.00002
4785.0000 -56.04247 -53.90019 2.14228 2.03692 -53.85214 656.79806
4790.0000 -56.22633 -54.01799 2.20833 2.03008 -53.90903 689.57059
4795.0000 -56.67892 -54.18384 2.49508 1.99561 -54.19582 639.64476
4800.0000 -55.75385 -53.57164 2.18221 2.03432 -53.87378 703.02268
4805.0000 -55.62143 -53.22812 2.39331 2.04765 -53.76285 691.38794
4810.0000 -55.60247 -53.37576 2.22671 2.12546 -53.11545 742.06915
4815.0000 -56.42716 -54.46270 1.96446 2.02182 -53.97777 659.53130
4820.0000 -55.89137 -53.47796 2.41341 2.01275 -54.05325 680.30390
4825.0000 -56.47764 -54.19499 2.28265 2.01389 -54.04376 719.15184
4830.0000 -56.34601 -54.31444 2.03157 2.01528 -54.03219 694.51602
4835.0000 -55.99391 -53.95207 2.04184 2.01056 -54.07147 671.04205
4840.0000 -56.31794 -54.17885 2.13910 2.02426 -53.95745 686.26172
4845.0000 -56.19409 -54.04043 2.15366 2.01054 -54.07161 678.19721
4850.0000 -56.27328 -54.00121 2.27207 2.02206 -53.97582 686.09403
4855.0000 -55.91487 -53.22407 2.69079 2.05782 -53.67826 730.34988
4860.0000 -56.37786 -54.82207 1.55579 1.99552 -54.19660 659.59117
4865.0000 -55.90950 -54.00939 1.90011 1.96049 -54.48805 638.97213
4870.0000 -55.50838 -52.85173 2.65665 2.07717 -53.51725 768.07595
4875.0000 -56.16091 -53.72459 2.43631 2.09101 -53.40209 751.74768
4880.0000 -55.47042 -52.83602 2.63441 2.13134 -53.06657 788.56139
4885.0000 -56.19731 -54.25548 1.94183 2.03339 -53.88151 692.35599
4890.0000 -55.40140 -53.85259 1.54881 2.00890 -54.08527 654.97577
4895.0000 -56.41107 -54.47340 1.93767 1.95084 -54.56837 583.45575
4900.0000 -56.46729 -54.38350 2.08380 1.97652 -54.35470 608.85521
4905.0000 -56.37840 -54.69190 1.68650 1.97877 -54.33593 644.01305
4910.0000 -56.69804 -54.95612 1.74192 1.92107 -54.81603 564.03861
4915.0000 -56.81336 -55.26927 1.54409 1.89065 -55.06920 551.44736
4920.0000 -55.83914 -53.63712 2.20203 1.97277 -54.38586 579.72545
4925.0000 -56.15201 -53.87880 2.27321 2.04058 -53.82173 730.54548
4930.0000 -55.84334 -53.98945 1.85389 2.02888 -53.91908 686.00017
4935.0000 -55.80246 -54.09934 1.70312 2.02198 -53.97646 719.26243
4940.0000 -56.42729 -54.57066 1.85663 1.95951 -54.49626 611.93365
4945.0000 -55.86866 -53.38946 2.47919 2.02283 -53.96934 649.66579
4950.0000 -56.18055 -54.49585 1.68470 2.01967 -53.99563 667.39435
4955.0000 -56.30084 -54.21280 2.08803 1.98256 -54.30441 675.05331
4960.0000 -56.33801 -54.74997 1.58805 1.94901 -54.58362 621.28046
4965.0000 -56.30733 -54.30408 2.00325 1.98496 -54.28447 646.14554
4970.0000 -56.06763 -54.20444 1.86319 1.99161 -54.22911 670.25163
4975.0000 -55.70221 -54.03428 1.66793 2.01055 -54.07152 659.74307
4980.0000 -56.95666 -54.55840 2.39826 1.97913 -54.33297 664.93444
4985.0000 -56.56234 -54.64691 1.91543 1.98585 -54.27708 672.08661
4990.0000 -56.75196 -54.81771 1.93425 1.94400 -54.62528 632.74040
4995.0000 -56.35726 -53.69035 2.66691 1.96904 -54.41692 640.27406
5000.0000 -56.62024 -54.27356 2.34668 2.03927 -53.83257 761.60645
FREEZING PROCESS: loop number 21 T-loop= 662.00000000000000
main_MD> interactions number 21 at Temperature= 662.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.81526 4.22788 -1.91294
force_rgl> df(natom) 1.27949 -1.33537 2.96249
5005.0000 -56.38494 -53.62172 2.76322 2.04644 -53.77291 711.60697
5010.0000 -56.33487 -54.62279 1.71208 1.99021 -54.24082 666.98719
5015.0000 -56.87605 -54.15003 2.72602 1.97132 -54.39797 622.96960
5020.0000 -56.25134 -54.36791 1.88343 1.99482 -54.20240 650.27484
5025.0000 -56.35325 -53.80922 2.54403 1.95912 -54.49946 634.92272
5030.0000 -56.16628 -54.59003 1.57624 1.99662 -54.18749 649.77312
5035.0000 -55.60331 -53.66899 1.93433 1.96021 -54.49040 572.59349
5040.0000 -56.40600 -54.57519 1.83080 2.03305 -53.88433 665.45601
5045.0000 -56.01423 -53.49683 2.51741 2.00314 -54.13316 642.30077
5050.0000 -55.93220 -53.47929 2.45291 2.05488 -53.70267 702.47523
5055.0000 -55.22271 -53.19737 2.02534 2.02779 -53.92812 619.39318
5060.0000 -56.22102 -54.02988 2.19114 2.03058 -53.90488 678.39305
5065.0000 -56.37468 -54.64994 1.72474 1.96989 -54.40989 632.48349
5070.0000 -56.01552 -53.69520 2.32032 2.04329 -53.79912 717.35952
5075.0000 -56.95203 -54.57637 2.37566 2.04375 -53.79528 683.48537
5080.0000 -56.30830 -54.27254 2.03576 1.96341 -54.46381 637.62582
5085.0000 -56.57637 -54.32969 2.24668 1.97049 -54.40484 661.72448
5090.0000 -56.42710 -54.58037 1.84672 1.95783 -54.51021 603.22611
5095.0000 -56.21586 -54.04103 2.17482 1.95106 -54.56653 605.24084
5100.0000 -55.97705 -54.05350 1.92355 2.01650 -54.02201 663.82153
5105.0000 -56.53360 -54.50609 2.02751 2.01075 -54.06986 652.99345
5110.0000 -56.49043 -54.20733 2.28310 1.95219 -54.55713 622.29941
5115.0000 -55.47363 -53.47816 1.99547 2.03724 -53.84948 696.78381
5120.0000 -56.28805 -54.49652 1.79153 2.00837 -54.08972 641.16632
5125.0000 -56.51320 -54.32073 2.19248 1.95522 -54.53195 573.98033
5130.0000 -55.80450 -53.88363 1.92087 1.96616 -54.44090 620.56368
5135.0000 -56.26605 -54.39889 1.86716 1.98299 -54.30085 636.65380
5140.0000 -56.54947 -54.57286 1.97661 1.98643 -54.27228 617.31174
5145.0000 -56.59181 -54.61056 1.98125 1.93501 -54.70009 565.35864
5150.0000 -56.25115 -54.18028 2.07087 1.91789 -54.84251 609.33596
5155.0000 -56.18236 -54.52313 1.65923 1.97974 -54.32790 662.55215
5160.0000 -57.07431 -55.20455 1.86975 1.93922 -54.66502 613.75000
5165.0000 -56.61767 -54.71262 1.90505 1.93077 -54.73532 617.54566
5170.0000 -56.23848 -54.43264 1.80584 1.92846 -54.75453 584.07173
5175.0000 -55.92850 -53.92357 2.00492 1.96804 -54.42526 622.06343
5180.0000 -55.80542 -53.72861 2.07681 2.00767 -54.09554 664.22622
5185.0000 -56.00571 -53.85544 2.15027 2.04985 -53.74457 693.68357
5190.0000 -56.06014 -53.68586 2.37429 2.01863 -54.00434 660.51826
5195.0000 -55.85943 -53.64851 2.21092 2.02721 -53.93290 709.22740
5200.0000 -56.73686 -54.83288 1.90399 1.93925 -54.66479 625.65995
5205.0000 -56.14713 -54.45157 1.69556 1.93956 -54.66223 596.19806
5210.0000 -56.63547 -54.71271 1.92277 1.97798 -54.34253 635.66393
5215.0000 -55.36444 -53.55924 1.80519 2.06214 -53.64227 743.74530
5220.0000 -55.29997 -53.22834 2.07163 2.08795 -53.42753 742.68596
5225.0000 -56.68176 -54.52579 2.15596 2.08608 -53.44308 753.81441
5230.0000 -55.21340 -53.40124 1.81217 2.00146 -54.14719 655.71194
5235.0000 -55.00858 -52.50888 2.49969 2.09328 -53.38320 732.61201
5240.0000 -56.20963 -53.79597 2.41366 2.16667 -52.77258 815.18966
5245.0000 -56.46764 -54.55655 1.91109 1.98334 -54.29796 652.16099
5250.0000 -56.31691 -54.63394 1.68297 1.95152 -54.56272 596.61810
FREEZING PROCESS: loop number 22 T-loop= 637.00000000000000
main_MD> interactions number 22 at Temperature= 637.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47620 -1.74472 -1.19948
force_rgl> df(natom) 2.31677 -2.45906 -3.74969
5255.0000 -56.12382 -54.24872 1.87510 1.95315 -54.54916 590.76412
5260.0000 -55.69831 -53.42394 2.27437 2.03039 -53.90650 689.64960
5265.0000 -56.45465 -54.46846 1.98619 2.00773 -54.09501 674.34013
5270.0000 -56.07330 -54.21038 1.86292 1.97653 -54.35463 631.48637
5275.0000 -56.50244 -54.35910 2.14334 1.98614 -54.27466 624.66862
5280.0000 -56.02463 -53.89798 2.12664 2.00902 -54.08425 666.17647
5285.0000 -55.59712 -53.72451 1.87261 2.03775 -53.84524 666.86974
5290.0000 -55.70122 -53.48969 2.21153 2.02887 -53.91913 706.87327
5295.0000 -56.44303 -54.46109 1.98194 1.98791 -54.25990 663.01511
5300.0000 -56.47079 -54.50902 1.96177 1.99419 -54.20767 663.00121
5305.0000 -55.57926 -53.51700 2.06226 2.00910 -54.08361 679.90894
5310.0000 -56.13136 -54.18261 1.94874 2.02691 -53.93539 688.75498
5315.0000 -56.39017 -53.88002 2.51015 2.06379 -53.62862 721.58854
5320.0000 -56.22652 -54.18588 2.04064 2.01711 -54.01696 663.39350
5325.0000 -56.44859 -54.55665 1.89195 1.98692 -54.26816 660.37378
5330.0000 -56.84588 -54.42633 2.41955 1.95846 -54.50498 646.81193
5335.0000 -56.18290 -53.72592 2.45699 2.04525 -53.78282 722.71028
5340.0000 -56.76606 -54.59248 2.17358 2.04509 -53.78419 687.04953
5345.0000 -56.54415 -54.53594 2.00820 1.96720 -54.43224 634.38654
5350.0000 -56.65500 -54.31590 2.33910 1.95483 -54.53514 620.95138
5355.0000 -56.31382 -53.96247 2.35136 2.02126 -53.98246 688.68584
5360.0000 -56.90146 -54.76571 2.13575 1.96833 -54.42284 617.56205
5365.0000 -56.77456 -54.09529 2.67927 1.95814 -54.50759 629.34923
5370.0000 -56.20574 -54.32244 1.88330 2.00856 -54.08808 677.60108
5375.0000 -56.33803 -54.19175 2.14628 2.02362 -53.96282 678.11558
5380.0000 -56.67915 -54.83325 1.84590 1.96871 -54.41966 622.74858
5385.0000 -56.70517 -55.26051 1.44466 1.89410 -55.04048 538.66564
5390.0000 -56.60490 -54.73968 1.86522 1.89818 -55.00647 566.64043
5395.0000 -56.31149 -54.31475 1.99674 1.98238 -54.30594 650.24408
5400.0000 -56.05658 -54.45097 1.60561 1.97202 -54.39217 599.07608
5405.0000 -56.12802 -53.89231 2.23571 2.04160 -53.81320 688.64705
5410.0000 -56.25578 -54.46741 1.78836 2.01740 -54.01457 651.64690
5415.0000 -56.33883 -53.76888 2.56995 1.99976 -54.16131 666.64551
5420.0000 -55.97389 -54.18119 1.79270 2.03179 -53.89479 713.30361
5425.0000 -55.97662 -54.07390 1.90272 2.01126 -54.06564 653.87557
5430.0000 -56.73797 -55.14995 1.58802 1.93660 -54.68687 588.16413
5435.0000 -56.63240 -54.99975 1.63265 1.83052 -55.56945 493.52096
5440.0000 -56.21408 -53.68333 2.53076 1.98574 -54.27794 668.84246
5445.0000 -55.97740 -53.70078 2.27662 2.06756 -53.59724 704.39140
5450.0000 -55.96840 -53.58332 2.38508 2.07294 -53.55249 700.01711
5455.0000 -56.70641 -54.66262 2.04379 1.99533 -54.19816 646.85682
5460.0000 -56.07399 -54.05394 2.02005 1.99667 -54.18703 641.42027
5465.0000 -56.24290 -54.65083 1.59207 1.95208 -54.55806 608.73723
5470.0000 -56.30279 -54.49553 1.80726 1.94112 -54.64921 556.56874
5475.0000 -56.53870 -54.24309 2.29561 1.98296 -54.30109 635.70178
5480.0000 -56.16301 -54.23162 1.93139 1.97231 -54.38972 646.44392
5485.0000 -56.11665 -53.89898 2.21767 1.98540 -54.28082 639.45797
5490.0000 -56.60706 -54.82740 1.77967 1.96263 -54.47027 625.50922
5495.0000 -56.38152 -54.56202 1.81950 1.89182 -55.05945 521.59985
5500.0000 -56.49224 -54.21322 2.27902 1.94740 -54.59699 614.80101
FREEZING PROCESS: loop number 23 T-loop= 612.00000000000000
main_MD> interactions number 23 at Temperature= 612.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.43236 -0.44396 -0.06033
force_rgl> df(natom) -2.67348 0.76404 -1.30436
5505.0000 -56.71061 -54.22962 2.48099 1.95873 -54.50270 616.26490
5510.0000 -55.76675 -53.71691 2.04985 2.00082 -54.15248 684.94078
5515.0000 -56.60945 -54.63622 1.97323 1.95650 -54.52130 583.16959
5520.0000 -56.43166 -54.51934 1.91232 1.93064 -54.73640 594.83967
5525.0000 -56.03173 -54.18405 1.84768 2.01199 -54.05955 679.08236
5530.0000 -56.55464 -54.40988 2.14476 1.97184 -54.39366 591.07951
5535.0000 -57.08930 -55.48695 1.60234 1.89378 -55.04309 553.88523
5540.0000 -56.47537 -54.42103 2.05433 1.90774 -54.92698 564.47633
5545.0000 -56.58031 -54.82674 1.75357 1.95020 -54.57369 606.11515
5550.0000 -56.37154 -54.54099 1.83055 1.94853 -54.58759 617.78147
5555.0000 -55.99123 -54.05155 1.93969 1.98841 -54.25579 642.80004
5560.0000 -56.89629 -54.63874 2.25754 2.01361 -54.04611 660.20728
5565.0000 -56.69039 -55.08659 1.60380 1.93008 -54.74112 585.49482
5570.0000 -56.62871 -54.95966 1.66904 1.90878 -54.91835 550.48855
5575.0000 -56.74687 -54.61566 2.13121 1.93051 -54.73750 591.53854
5580.0000 -56.82351 -54.62446 2.19905 1.97337 -54.38088 652.33282
5585.0000 -55.79030 -53.53648 2.25382 1.96857 -54.42080 613.51555
5590.0000 -55.70904 -54.20221 1.50683 2.02503 -53.95105 702.19542
5595.0000 -56.38674 -54.47406 1.91267 1.98774 -54.26138 659.87176
5600.0000 -56.80308 -54.86213 1.94095 1.92480 -54.78498 581.02152
5605.0000 -55.96475 -54.02585 1.93890 1.98379 -54.29422 652.82167
5610.0000 -56.64915 -54.77283 1.87631 2.00491 -54.11850 667.44397
5615.0000 -57.02864 -55.07067 1.95797 1.92600 -54.77500 595.11455
5620.0000 -56.50591 -54.32770 2.17821 1.96682 -54.43544 617.30119
5625.0000 -56.51360 -54.50792 2.00568 1.96827 -54.42333 663.81217
5630.0000 -56.61582 -54.91403 1.70179 1.95092 -54.56770 614.36962
5635.0000 -56.61160 -54.97088 1.64072 1.90613 -54.94039 545.93622
5640.0000 -56.41711 -54.94650 1.47061 1.92225 -54.80620 545.17288
5645.0000 -56.02154 -54.34146 1.68008 1.94258 -54.63710 601.33897
5650.0000 -56.29881 -54.75703 1.54178 1.99603 -54.19236 649.95171
5655.0000 -56.58430 -54.67698 1.90733 1.88560 -55.11120 558.69163
5660.0000 -56.81293 -54.50141 2.31152 1.94776 -54.59398 618.15621
5665.0000 -56.74166 -55.05756 1.68410 1.97565 -54.36190 619.89844
5670.0000 -56.86854 -55.35377 1.51478 1.88533 -55.11340 531.57244
5675.0000 -56.83153 -54.92929 1.90224 1.89121 -55.06447 538.52264
5680.0000 -56.45423 -54.59942 1.85480 1.94497 -54.61720 595.00361
5685.0000 -56.21033 -54.00055 2.20978 1.99173 -54.22810 611.99291
5690.0000 -56.07413 -54.29112 1.78301 1.95811 -54.50789 603.69917
5695.0000 -56.55859 -55.23656 1.32204 1.95096 -54.56739 626.18187
5700.0000 -56.23346 -54.74500 1.48846 1.91895 -54.83373 592.46873
5705.0000 -57.04747 -55.43103 1.61645 1.88781 -55.09283 556.45756
5710.0000 -57.23189 -55.05831 2.17357 1.88181 -55.14275 548.66994
5715.0000 -56.87847 -54.97317 1.90530 1.87837 -55.17136 562.67925
5720.0000 -56.94186 -55.56179 1.38007 1.87223 -55.22243 536.84512
5725.0000 -56.65916 -54.96581 1.69335 1.89743 -55.01271 566.87945
5730.0000 -56.49427 -54.88450 1.60977 1.88848 -55.08719 546.66196
5735.0000 -56.62665 -54.91392 1.71272 1.90972 -54.91046 566.03294
5740.0000 -56.61240 -54.62918 1.98322 1.96674 -54.43608 626.37081
5745.0000 -56.49387 -54.72553 1.76834 1.98793 -54.25975 646.91525
5750.0000 -55.99819 -54.46057 1.53762 1.92396 -54.79201 608.56057
FREEZING PROCESS: loop number 24 T-loop= 587.00000000000000
main_MD> interactions number 24 at Temperature= 587.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94892 -1.30169 -2.16637
force_rgl> df(natom) 0.43280 -1.35010 1.80018
5755.0000 -57.00444 -54.97362 2.03083 1.92129 -54.81426 578.29661
5760.0000 -56.22919 -53.92391 2.30527 1.99151 -54.22998 643.18619
5765.0000 -56.42300 -54.25013 2.17287 2.02743 -53.93109 693.36146
5770.0000 -55.69519 -53.70074 1.99445 2.03184 -53.89441 662.75395
5775.0000 -56.13928 -53.67341 2.46587 2.02140 -53.98128 651.98809
5780.0000 -56.42112 -55.24941 1.17170 1.94042 -54.65509 594.98569
5785.0000 -56.35218 -54.65199 1.70019 1.89754 -55.01181 506.95610
5790.0000 -55.95199 -53.79996 2.15203 1.94182 -54.64342 601.48334
5795.0000 -56.24811 -54.36745 1.88066 2.00540 -54.11443 656.89921
5800.0000 -56.74056 -55.08338 1.65718 1.89941 -54.99628 561.38060
5805.0000 -56.93740 -55.29937 1.63803 1.89186 -55.05911 546.25156
5810.0000 -56.76829 -55.06523 1.70306 1.89055 -55.07000 526.02457
5815.0000 -56.76266 -55.34174 1.42092 1.87741 -55.17930 540.73932
5820.0000 -56.25157 -54.52325 1.72833 1.90356 -54.96171 565.74255
5825.0000 -56.67511 -54.70030 1.97481 1.95140 -54.56370 599.32616
5830.0000 -56.20178 -54.47175 1.73002 1.90233 -54.97195 567.92969
5835.0000 -56.63906 -54.53904 2.10002 1.96096 -54.48416 629.88485
5840.0000 -56.67059 -54.33877 2.33181 1.96188 -54.47647 630.39793
5845.0000 -56.67605 -55.13433 1.54172 1.94325 -54.63147 617.81190
5850.0000 -56.78849 -55.52539 1.26309 1.83608 -55.52321 481.31124
5855.0000 -57.07795 -55.16031 1.91764 1.88189 -55.14201 531.11062
5860.0000 -56.46624 -54.60360 1.86264 1.91736 -54.84694 598.19555
5865.0000 -56.35965 -54.72929 1.63036 1.92737 -54.76360 605.89533
5870.0000 -56.73766 -55.02856 1.70910 1.92252 -54.80400 579.13003
5875.0000 -56.61002 -55.03580 1.57422 1.95102 -54.56689 606.84900
5880.0000 -56.55413 -54.49960 2.05452 1.96442 -54.45537 626.65323
5885.0000 -56.46661 -54.48561 1.98099 1.98905 -54.25042 681.89010
5890.0000 -56.82831 -54.86116 1.96715 1.93720 -54.68184 613.09441
5895.0000 -57.00610 -55.11041 1.89570 1.90144 -54.97939 556.32121
5900.0000 -56.84523 -55.03377 1.81146 1.90168 -54.97739 596.04082
5905.0000 -56.61142 -54.42171 2.18971 1.91196 -54.89186 584.93866
5910.0000 -56.53729 -53.97699 2.56030 1.97276 -54.38598 634.71927
5915.0000 -56.43265 -54.31498 2.11767 1.96027 -54.48991 620.22119
5920.0000 -56.21507 -54.41564 1.79943 1.92205 -54.80794 556.20983
5925.0000 -56.64371 -55.23664 1.40707 1.92687 -54.76778 569.00180
5930.0000 -56.91038 -55.51283 1.39754 1.85376 -55.37607 490.51219
5935.0000 -56.39516 -55.00244 1.39272 1.87648 -55.18703 518.69590
5940.0000 -56.77158 -55.17699 1.59459 1.89147 -55.06231 499.48185
5945.0000 -56.50583 -54.80425 1.70158 1.89014 -55.07343 546.88116
5950.0000 -56.35871 -54.30919 2.04952 1.94888 -54.58464 589.59773
5955.0000 -56.14249 -54.03013 2.11236 1.98061 -54.32063 631.01334
5960.0000 -56.67841 -55.34692 1.33149 1.91634 -54.85537 575.86138
5965.0000 -56.92418 -55.42654 1.49764 1.85398 -55.37424 524.95154
5970.0000 -56.85633 -55.02677 1.82955 1.87138 -55.22951 535.56010
5975.0000 -55.84890 -53.67700 2.17190 1.99147 -54.23034 651.36813
5980.0000 -56.53039 -54.79816 1.73223 1.99098 -54.23440 657.61907
5985.0000 -56.88829 -54.68905 2.19924 1.93525 -54.69803 607.03360
5990.0000 -56.26828 -54.25401 2.01427 1.94929 -54.58126 625.64734
5995.0000 -56.68308 -54.51117 2.17192 1.99420 -54.20755 655.41109
6000.0000 -56.35076 -54.68985 1.66090 1.92382 -54.79315 574.48277
FREEZING PROCESS: loop number 25 T-loop= 562.00000000000000
main_MD> interactions number 25 at Temperature= 562.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.11467 2.40834 -0.69921
force_rgl> df(natom) 3.72710 1.71248 2.80397
6005.0000 -56.62825 -54.69083 1.93742 1.94578 -54.61047 617.42148
6010.0000 -56.54736 -54.96086 1.58650 1.88014 -55.15657 486.93421
6015.0000 -57.00274 -54.87440 2.12834 1.92010 -54.82409 580.92913
6020.0000 -56.62150 -55.29194 1.32956 1.88345 -55.12904 533.64772
6025.0000 -56.87489 -54.63937 2.23552 1.87571 -55.19348 535.57424
6030.0000 -56.89546 -55.50190 1.39356 1.90137 -54.98000 568.01841
6035.0000 -56.88415 -54.92283 1.96132 1.87106 -55.23219 524.70333
6040.0000 -57.00504 -55.05141 1.95364 1.88484 -55.11751 539.70599
6045.0000 -57.53395 -55.83336 1.70059 1.90707 -54.93251 568.56913
6050.0000 -57.05927 -55.71081 1.34846 1.86191 -55.30830 526.17732
6055.0000 -57.33561 -55.62570 1.70991 1.80887 -55.74960 469.99343
6060.0000 -56.93379 -55.10372 1.83006 1.92085 -54.81791 601.02922
6065.0000 -56.54248 -54.87106 1.67142 1.88806 -55.09067 549.20368
6070.0000 -56.94729 -55.49464 1.45265 1.88613 -55.10676 544.83032
6075.0000 -57.08993 -55.14085 1.94908 1.86437 -55.28781 509.93865
6080.0000 -56.30780 -54.72059 1.58721 1.90636 -54.93841 571.01608
6085.0000 -57.18471 -55.37979 1.80491 1.90950 -54.91234 577.21126
6090.0000 -56.73806 -54.83933 1.89873 1.86691 -55.26670 533.13889
6095.0000 -57.00816 -55.81863 1.18954 1.88622 -55.10603 523.11608
6100.0000 -57.33686 -56.29511 1.04175 1.77773 -56.00869 409.79707
6105.0000 -56.92591 -55.44477 1.48114 1.81457 -55.70218 433.02627
6110.0000 -56.55717 -54.82308 1.73409 1.90004 -54.99102 544.95032
6115.0000 -56.43421 -55.24667 1.18754 1.91333 -54.88041 574.90354
6120.0000 -56.69209 -54.76984 1.92225 1.90451 -54.95384 571.13123
6125.0000 -56.80393 -55.13350 1.67042 1.88622 -55.10604 520.08385
6130.0000 -56.74587 -55.17150 1.57437 1.86174 -55.30974 520.64466
6135.0000 -57.17937 -55.38079 1.79858 1.89013 -55.07351 553.21884
6140.0000 -56.79802 -55.13650 1.66152 1.87963 -55.16082 535.36561
6145.0000 -57.05169 -55.83734 1.21435 1.85572 -55.35976 505.68847
6150.0000 -56.87847 -55.30738 1.57109 1.84833 -55.42126 488.42565
6155.0000 -56.39552 -55.20498 1.19055 1.86334 -55.29640 499.64035
6160.0000 -57.06641 -55.65415 1.41226 1.88145 -55.14574 530.99364
6165.0000 -57.40809 -55.50839 1.89970 1.83091 -55.56622 471.40060
6170.0000 -57.34222 -55.36086 1.98136 1.85577 -55.35938 521.57408
6175.0000 -56.85898 -55.44954 1.40944 1.85856 -55.33614 526.62876
6180.0000 -57.28876 -55.54815 1.74060 1.83887 -55.49997 498.35429
6185.0000 -56.86529 -54.98380 1.88150 1.89721 -55.01458 551.58781
6190.0000 -56.46311 -54.49214 1.97097 1.96611 -54.44129 625.77000
6195.0000 -56.55436 -55.09118 1.46318 1.91483 -54.86800 569.73872
6200.0000 -57.00576 -55.30336 1.70240 1.87399 -55.20776 515.72676
6205.0000 -56.75139 -54.54160 2.20978 1.91953 -54.82887 555.14167
6210.0000 -57.14789 -55.26366 1.88424 1.93565 -54.69474 632.00207
6215.0000 -56.68293 -54.95466 1.72827 1.89201 -55.05786 550.63002
6220.0000 -56.24864 -53.97082 2.27782 1.97994 -54.32626 575.17098
6225.0000 -56.40481 -54.17994 2.22487 1.91960 -54.82825 581.56400
6230.0000 -56.60974 -54.97181 1.63793 1.97337 -54.38090 657.38741
6235.0000 -56.05752 -54.15612 1.90140 1.92385 -54.79294 614.54070
6240.0000 -56.24062 -54.46953 1.77109 1.98197 -54.30938 639.71666
6245.0000 -56.91829 -55.11832 1.79997 1.94555 -54.61241 585.90082
6250.0000 -56.58003 -54.98338 1.59665 1.91314 -54.88207 578.17213
FREEZING PROCESS: loop number 26 T-loop= 537.00000000000000
main_MD> interactions number 26 at Temperature= 537.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50092 0.10505 -0.67246
force_rgl> df(natom) 2.18261 -0.84815 2.99829
6255.0000 -57.02417 -55.83878 1.18539 1.82831 -55.58783 474.43810
6260.0000 -57.34139 -55.87085 1.47054 1.79527 -55.86276 447.67627
6265.0000 -57.44504 -55.69640 1.74864 1.80724 -55.76315 447.89233
6270.0000 -56.73286 -54.96290 1.76996 1.84249 -55.46987 479.07250
6275.0000 -56.51137 -54.37111 2.14026 1.91161 -54.89477 545.77806
6280.0000 -56.21084 -54.45365 1.75719 1.96789 -54.42653 617.79566
6285.0000 -57.12651 -55.34150 1.78501 1.91328 -54.88084 580.60819
6290.0000 -56.87842 -54.87158 2.00684 1.88833 -55.08844 540.17190
6295.0000 -56.56805 -54.72013 1.84792 1.91900 -54.83329 567.41210
6300.0000 -56.38030 -54.39319 1.98711 1.93220 -54.72343 591.74382
6305.0000 -56.75973 -54.76332 1.99641 1.92208 -54.80762 588.30095
6310.0000 -56.98632 -55.42615 1.56017 1.85489 -55.36666 527.56091
6315.0000 -56.68291 -55.40313 1.27978 1.85836 -55.33784 516.13731
6320.0000 -57.07758 -55.44233 1.63525 1.82291 -55.63275 478.16234
6325.0000 -57.09249 -55.56600 1.52649 1.81606 -55.68976 469.14060
6330.0000 -57.02592 -55.69658 1.32934 1.89122 -55.06444 535.49890
6335.0000 -56.84045 -55.97978 0.86067 1.84339 -55.46238 494.30077
6340.0000 -57.10246 -55.99344 1.10902 1.78803 -55.92296 427.09538
6345.0000 -57.13563 -55.94032 1.19531 1.77400 -56.03973 405.36535
6350.0000 -57.05455 -55.93020 1.12435 1.79868 -55.83441 440.57263
6355.0000 -56.84623 -55.91810 0.92814 1.78852 -55.91892 429.12031
6360.0000 -56.42598 -54.80014 1.62584 1.85464 -55.36879 499.58543
6365.0000 -56.07690 -53.95293 2.12397 1.91477 -54.86850 542.44503
6370.0000 -55.84551 -54.25181 1.59370 2.00252 -54.13837 650.19647
6375.0000 -56.57459 -54.92775 1.64684 1.95703 -54.51682 619.64685
6380.0000 -56.62634 -55.24081 1.38553 1.88110 -55.14859 538.92170
6385.0000 -57.27404 -55.43834 1.83570 1.90133 -54.98031 560.76878
6390.0000 -57.07825 -55.64778 1.43046 1.84324 -55.46365 527.13803
6395.0000 -57.01643 -55.16865 1.84777 1.82080 -55.65030 495.31674
6400.0000 -56.07797 -54.45066 1.62730 1.95030 -54.57282 618.57568
6405.0000 -56.34679 -54.02696 2.31984 1.96702 -54.43370 622.04351
6410.0000 -56.16927 -54.41427 1.75500 1.98814 -54.25800 625.27679
6415.0000 -56.66156 -54.65411 2.00745 1.95119 -54.56547 602.08588
6420.0000 -56.89910 -55.42502 1.47408 1.90682 -54.93463 584.41747
6425.0000 -57.32717 -55.54676 1.78041 1.82707 -55.59820 466.27190
6430.0000 -55.74747 -54.13989 1.60757 1.93890 -54.66767 596.67743
6435.0000 -56.64270 -54.48158 2.16112 1.97131 -54.39808 626.94062
6440.0000 -56.19114 -53.92763 2.26351 2.00869 -54.08706 616.91985
6445.0000 -56.08577 -54.31906 1.76671 1.97879 -54.33580 634.30319
6450.0000 -56.56170 -54.90490 1.65680 1.93759 -54.67861 581.44314
6455.0000 -57.00169 -55.25401 1.74768 1.85284 -55.38372 499.82136
6460.0000 -56.61264 -55.04265 1.56999 1.86054 -55.31965 529.92212
6465.0000 -57.07747 -55.29139 1.78608 1.87977 -55.15969 498.55633
6470.0000 -57.11213 -55.40147 1.71066 1.82928 -55.57979 459.13351
6475.0000 -56.94841 -55.59323 1.35518 1.83302 -55.54867 484.86287
6480.0000 -56.77314 -55.00474 1.76841 1.85805 -55.34038 502.97051
6485.0000 -56.85810 -55.57029 1.28781 1.84084 -55.48361 494.20555
6490.0000 -56.98141 -55.58261 1.39879 1.82061 -55.65190 450.22076
6495.0000 -57.22404 -55.62357 1.60046 1.82328 -55.62970 445.76135
6500.0000 -57.41085 -55.89244 1.51840 1.80628 -55.77112 448.04498
FREEZING PROCESS: loop number 27 T-loop= 512.00000000000000
main_MD> interactions number 27 at Temperature= 512.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.49283 -0.34271 -2.07563
force_rgl> df(natom) 1.51754 2.34509 3.24591
6505.0000 -57.15238 -55.69757 1.45481 1.80887 -55.74957 449.20970
6510.0000 -56.78022 -54.84701 1.93321 1.86256 -55.30291 513.51661
6515.0000 -57.68304 -55.31905 2.36399 1.87526 -55.19719 551.04525
6520.0000 -56.34221 -54.79019 1.55202 1.89321 -55.04786 546.83461
6525.0000 -56.67319 -55.47805 1.19514 1.88686 -55.10065 506.47757
6530.0000 -57.12791 -55.88535 1.24256 1.81440 -55.70354 433.11103
6535.0000 -57.19145 -55.82358 1.36787 1.80487 -55.78284 438.48623
6540.0000 -56.65226 -55.30090 1.35136 1.79811 -55.83909 412.77671
6545.0000 -56.83062 -55.48204 1.34858 1.82584 -55.60837 469.21567
6550.0000 -56.49945 -55.06295 1.43650 1.89023 -55.07263 538.15409
6555.0000 -57.24783 -55.88452 1.36331 1.84141 -55.47885 498.29255
6560.0000 -56.75113 -55.08075 1.67038 1.85265 -55.38535 519.17103
6565.0000 -57.20784 -55.72179 1.48605 1.84675 -55.43444 516.17942
6570.0000 -57.08636 -55.03762 2.04873 1.87133 -55.22992 522.25702
6575.0000 -57.21848 -55.74832 1.47015 1.82112 -55.64767 466.41794
6580.0000 -57.07088 -56.03459 1.03629 1.78624 -55.93787 436.94541
6585.0000 -57.01271 -55.24352 1.76919 1.80839 -55.75360 442.98478
6590.0000 -56.77717 -54.81037 1.96681 1.88161 -55.14438 549.70161
6595.0000 -56.61192 -55.02108 1.59084 1.91958 -54.82844 582.60108
6600.0000 -57.13976 -55.39822 1.74154 1.88532 -55.11347 555.42891
6605.0000 -57.38404 -56.00463 1.37941 1.80885 -55.74974 454.87259
6610.0000 -56.87833 -55.41182 1.46651 1.80797 -55.75712 444.37364
6615.0000 -56.46175 -55.21981 1.24194 1.84502 -55.44878 507.03615
6620.0000 -57.04581 -55.45490 1.59092 1.86188 -55.30855 522.17328
6625.0000 -57.25933 -55.77933 1.48000 1.81853 -55.66924 482.80354
6630.0000 -57.01281 -55.88587 1.12694 1.84028 -55.48822 499.78678
6635.0000 -56.41125 -54.55199 1.85926 1.85398 -55.37428 507.24578
6640.0000 -56.48883 -54.91895 1.56988 1.92971 -54.74414 544.36383
6645.0000 -57.08799 -55.45420 1.63379 1.89535 -55.03003 552.21448
6650.0000 -57.26415 -55.57394 1.69021 1.83634 -55.52100 504.50025
6655.0000 -57.36394 -56.04796 1.31598 1.79139 -55.89499 431.04421
6660.0000 -56.91328 -55.55777 1.35552 1.79246 -55.88610 413.09025
6665.0000 -57.22215 -55.54658 1.67557 1.84448 -55.45333 469.23015
6670.0000 -56.82369 -55.64671 1.17699 1.88576 -55.10983 556.44817
6675.0000 -57.61897 -56.30735 1.31163 1.82466 -55.61825 472.71297
6680.0000 -57.01278 -55.52835 1.48443 1.77603 -56.02284 410.66521
6685.0000 -57.20644 -56.00161 1.20483 1.78687 -55.93263 431.81504
6690.0000 -56.96627 -55.46695 1.49932 1.80756 -55.76052 466.99169
6695.0000 -57.66983 -56.35205 1.31778 1.78790 -55.92404 427.13583
6700.0000 -56.87017 -55.51937 1.35080 1.79992 -55.82403 455.47510
6705.0000 -57.29919 -55.70034 1.59885 1.83437 -55.53741 473.27889
6710.0000 -56.92587 -55.27416 1.65170 1.86111 -55.31495 529.50617
6715.0000 -56.85104 -55.51965 1.33139 1.85954 -55.32804 509.13963
6720.0000 -57.35724 -55.59081 1.76644 1.83190 -55.55799 475.98776
6725.0000 -57.17486 -54.90316 2.27170 1.85219 -55.38913 512.75362
6730.0000 -56.69560 -55.56812 1.12748 1.87193 -55.22489 540.26700
6735.0000 -57.10817 -55.35832 1.74985 1.86850 -55.25344 540.24252
6740.0000 -56.35156 -55.09437 1.25719 1.86217 -55.30616 520.21133
6745.0000 -56.81154 -54.99110 1.82044 1.88366 -55.12732 536.66457
6750.0000 -56.95284 -55.51939 1.43345 1.85529 -55.36333 498.04038
FREEZING PROCESS: loop number 28 T-loop= 487.00000000000000
main_MD> interactions number 28 at Temperature= 487.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92703 1.70016 -1.05968
force_rgl> df(natom) -0.97004 -2.21606 -1.82667
6755.0000 -56.94812 -55.37267 1.57545 1.84352 -55.46126 483.90915
6760.0000 -57.21007 -55.55905 1.65102 1.82262 -55.63519 459.82458
6765.0000 -57.39459 -55.70836 1.68623 1.82993 -55.57440 497.80804
6770.0000 -56.87997 -55.64869 1.23127 1.79505 -55.86457 446.86201
6775.0000 -57.19769 -56.05057 1.14711 1.79809 -55.83927 473.24906
6780.0000 -56.85140 -55.21366 1.63774 1.80239 -55.80347 470.15032
6785.0000 -56.81255 -55.59879 1.21376 1.85219 -55.38914 480.75849
6790.0000 -56.98282 -55.53491 1.44791 1.83234 -55.55435 489.26984
6795.0000 -57.03685 -55.39865 1.63820 1.83034 -55.57094 478.65571
6800.0000 -56.72603 -55.18311 1.54291 1.83406 -55.54004 493.54146
6805.0000 -57.35547 -56.03141 1.32406 1.79757 -55.84360 441.14849
6810.0000 -57.58263 -55.98777 1.59487 1.76727 -56.09575 410.78507
6815.0000 -56.85422 -55.02217 1.83205 1.84470 -55.45147 494.28081
6820.0000 -57.11326 -55.74516 1.36810 1.80038 -55.82022 437.28312
6825.0000 -57.23835 -55.81106 1.42729 1.79673 -55.85062 422.08395
6830.0000 -57.37778 -56.38657 0.99121 1.76129 -56.14547 377.03185
6835.0000 -57.49793 -55.93373 1.56420 1.77003 -56.07279 412.15159
6840.0000 -57.33424 -56.02167 1.31256 1.79264 -55.88462 421.53269
6845.0000 -57.40614 -55.86201 1.54413 1.78320 -55.96316 411.74458
6850.0000 -56.80145 -55.19927 1.60218 1.83776 -55.50922 493.98677
6855.0000 -56.84194 -54.82394 2.01800 1.88787 -55.09226 549.76277
6860.0000 -56.95275 -55.50979 1.44296 1.86036 -55.32119 507.56835
6865.0000 -57.30885 -55.86444 1.44441 1.84292 -55.46631 510.11375
6870.0000 -57.27919 -56.12848 1.15071 1.77160 -56.05970 417.60776
6875.0000 -56.36846 -54.87051 1.49796 1.80438 -55.78696 468.69014
6880.0000 -56.89034 -54.89965 1.99069 1.93319 -54.71525 554.72303
6885.0000 -56.77799 -55.55269 1.22530 1.85795 -55.34123 519.10563
6890.0000 -57.18316 -55.71264 1.47052 1.83086 -55.56660 463.19731
6895.0000 -57.43828 -55.93411 1.50417 1.79652 -55.85233 432.49476
6900.0000 -56.99342 -55.22318 1.77023 1.81535 -55.69572 464.18834
6905.0000 -56.39489 -55.02449 1.37040 1.87456 -55.20306 534.02897
6910.0000 -56.85506 -54.62178 2.23328 1.93141 -54.73001 592.30458
6915.0000 -56.93709 -54.97022 1.96687 1.93086 -54.73456 549.53644
6920.0000 -56.76479 -55.04599 1.71880 1.87750 -55.17856 525.55408
6925.0000 -57.05344 -55.44893 1.60451 1.84279 -55.46733 472.64557
6930.0000 -57.25355 -55.95885 1.29469 1.83944 -55.49526 481.55784
6935.0000 -57.23181 -55.82041 1.41140 1.80258 -55.80196 447.41817
6940.0000 -56.61817 -55.36231 1.25586 1.81477 -55.70053 458.74774
6945.0000 -56.87782 -55.58901 1.28882 1.83305 -55.54842 459.55306
6950.0000 -56.93458 -55.12121 1.81337 1.86802 -55.25745 547.79779
6955.0000 -57.26383 -56.18188 1.08195 1.82461 -55.61866 484.75345
6960.0000 -57.27313 -55.44684 1.82628 1.83641 -55.52048 495.90601
6965.0000 -56.95162 -55.53323 1.41840 1.83278 -55.55064 442.13879
6970.0000 -57.11208 -55.86147 1.25061 1.81934 -55.66245 462.29124
6975.0000 -57.12190 -55.77782 1.34408 1.82479 -55.61717 475.91939
6980.0000 -57.53650 -56.05204 1.48447 1.76325 -56.12914 422.22842
6985.0000 -57.08398 -55.59097 1.49300 1.80884 -55.74984 457.76727
6990.0000 -57.01773 -55.38660 1.63113 1.83295 -55.54926 483.49632
6995.0000 -57.06020 -55.02551 2.03470 1.87891 -55.16685 509.63615
7000.0000 -56.48987 -55.32546 1.16441 1.86692 -55.26658 481.89291
FREEZING PROCESS: loop number 29 T-loop= 462.00000000000000
main_MD> interactions number 29 at Temperature= 462.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53572 -4.34263 -0.81452
force_rgl> df(natom) 1.07383 1.90130 -0.21979
7005.0000 -56.26549 -54.84879 1.41669 1.89567 -55.02743 499.86483
7010.0000 -57.10459 -55.66438 1.44021 1.85410 -55.37326 514.19294
7015.0000 -57.40702 -55.95985 1.44717 1.81331 -55.71262 461.06706
7020.0000 -57.12509 -55.46384 1.66125 1.78921 -55.91317 466.52386
7025.0000 -57.28595 -56.00929 1.27666 1.76893 -56.08194 430.12160
7030.0000 -57.12931 -55.70406 1.42525 1.79215 -55.88868 424.54987
7035.0000 -57.24140 -55.84822 1.39318 1.79531 -55.86245 437.45945
7040.0000 -57.05138 -55.75536 1.29602 1.81741 -55.67854 468.59449
7045.0000 -57.09430 -55.75517 1.33913 1.82482 -55.61690 489.29190
7050.0000 -57.25684 -55.94245 1.31440 1.83040 -55.57045 485.74344
7055.0000 -57.36679 -56.13431 1.23247 1.79113 -55.89720 448.57674
7060.0000 -57.08467 -55.97058 1.11409 1.77005 -56.07261 405.71035
7065.0000 -57.22081 -55.68494 1.53587 1.82752 -55.59439 487.87042
7070.0000 -57.29565 -56.05638 1.23927 1.81014 -55.73905 466.27497
7075.0000 -57.21427 -55.60439 1.60988 1.77802 -56.00631 414.17048
7080.0000 -56.85080 -55.39051 1.46029 1.83104 -55.56517 458.58391
7085.0000 -57.06721 -55.70228 1.36493 1.83286 -55.55001 487.83182
7090.0000 -57.25462 -56.14284 1.11178 1.78090 -55.98235 442.63339
7095.0000 -57.93224 -56.57914 1.35310 1.75211 -56.22190 405.08381
7100.0000 -57.51301 -56.31045 1.20257 1.73119 -56.39591 378.81190
7105.0000 -57.03332 -56.05253 0.98079 1.75145 -56.22739 402.16848
7110.0000 -57.10404 -55.95552 1.14852 1.79010 -55.90577 449.40865
7115.0000 -57.56350 -56.32205 1.24145 1.75119 -56.22949 414.45210
7120.0000 -57.11672 -56.14407 0.97265 1.71459 -56.53400 366.12077
7125.0000 -56.84236 -55.37935 1.46300 1.77655 -56.01847 423.25443
7130.0000 -57.54086 -55.74718 1.79368 1.80560 -55.77683 470.14195
7135.0000 -56.32183 -54.90370 1.41813 1.83904 -55.49859 495.17307
7140.0000 -56.98874 -54.97231 2.01643 1.90115 -54.98177 563.93823
7145.0000 -57.33601 -55.71001 1.62600 1.84007 -55.48999 490.52693
7150.0000 -57.09955 -55.74301 1.35655 1.79291 -55.88236 464.09664
7155.0000 -57.56990 -56.24281 1.32709 1.76019 -56.15462 408.71097
7160.0000 -57.75906 -56.43400 1.32505 1.74874 -56.24992 413.23644
7165.0000 -57.40800 -56.30512 1.10288 1.72165 -56.47528 357.45608
7170.0000 -57.53410 -56.64555 0.88855 1.74318 -56.29615 382.37463
7175.0000 -57.39119 -56.26490 1.12628 1.72121 -56.47892 358.18892
7180.0000 -57.60061 -56.58666 1.01396 1.71707 -56.51338 354.51770
7185.0000 -57.15951 -56.09535 1.06416 1.73552 -56.35991 367.07156
7190.0000 -57.36271 -55.88016 1.48255 1.81368 -55.70954 476.65417
7195.0000 -57.01173 -55.81636 1.19537 1.80024 -55.82136 440.89668
7200.0000 -57.52997 -56.46936 1.06061 1.76618 -56.10481 404.84234
7205.0000 -57.37733 -55.67603 1.70130 1.73945 -56.32723 386.84109
7210.0000 -57.39790 -55.72275 1.67516 1.82446 -55.61985 490.73355
7215.0000 -57.39915 -56.14600 1.25315 1.78468 -55.95090 433.27226
7220.0000 -57.30608 -56.03721 1.26887 1.76829 -56.08724 418.34280
7225.0000 -57.00301 -55.55585 1.44716 1.80284 -55.79976 453.82461
7230.0000 -57.38947 -55.79300 1.59647 1.78834 -55.92037 437.38444
7235.0000 -56.84084 -55.27446 1.56638 1.82835 -55.58751 465.06916
7240.0000 -56.91734 -55.38382 1.53352 1.86623 -55.27234 502.72300
7245.0000 -56.93347 -55.50870 1.42478 1.82742 -55.59527 475.01515
7250.0000 -56.76333 -55.25239 1.51093 1.83948 -55.49491 472.68612
FREEZING PROCESS: loop number 30 T-loop= 437.00000000000000
main_MD> interactions number 30 at Temperature= 437.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.55568 -0.33373 -4.02943
force_rgl> df(natom) -0.11977 1.75071 2.33624
7255.0000 -57.08337 -55.60808 1.47529 1.82658 -55.60221 459.38039
7260.0000 -56.70177 -55.44254 1.25923 1.82703 -55.59847 461.98740
7265.0000 -57.29829 -55.38293 1.91536 1.85473 -55.36799 521.67004
7270.0000 -57.21754 -55.98825 1.22929 1.85006 -55.40687 486.13194
7275.0000 -56.98745 -55.26854 1.71892 1.82844 -55.58680 444.35801
7280.0000 -56.88773 -55.47961 1.40812 1.86075 -55.31794 497.61617
7285.0000 -57.33170 -55.94569 1.38601 1.81753 -55.67755 458.45699
7290.0000 -57.25147 -55.82286 1.42861 1.74621 -56.27097 387.83107
7295.0000 -56.51653 -55.39644 1.12010 1.82023 -55.65506 460.52627
7300.0000 -57.18478 -55.85023 1.33454 1.83202 -55.55700 458.53573
7305.0000 -57.36497 -55.51057 1.85440 1.81508 -55.69789 445.46899
7310.0000 -57.24978 -55.78776 1.46202 1.82298 -55.63216 466.75794
7315.0000 -57.18189 -55.38275 1.79914 1.79265 -55.88457 448.34081
7320.0000 -57.00290 -55.48863 1.51427 1.84263 -55.46871 501.62646
7325.0000 -57.07288 -55.74246 1.33042 1.80683 -55.76653 459.61148
7330.0000 -57.55029 -56.31249 1.23780 1.77186 -56.05751 420.97321
7335.0000 -56.96941 -55.35618 1.61323 1.81831 -55.67103 453.31954
7340.0000 -57.01735 -55.89127 1.12608 1.81018 -55.73872 445.57467
7345.0000 -57.24192 -55.71405 1.52786 1.78843 -55.91966 427.11027
7350.0000 -56.81149 -55.40404 1.40745 1.83315 -55.54754 489.94375
7355.0000 -56.87605 -54.95750 1.91855 1.83286 -55.54996 478.39236
7360.0000 -56.96322 -55.44379 1.51943 1.84561 -55.44389 496.02338
7365.0000 -56.65944 -55.60818 1.05126 1.83353 -55.54441 490.76476
7370.0000 -57.63862 -56.18721 1.45141 1.76572 -56.10860 388.25106
7375.0000 -56.88800 -55.42128 1.46673 1.79973 -55.82568 426.87988
7380.0000 -57.14968 -55.67471 1.47497 1.79908 -55.83103 447.54791
7385.0000 -57.54592 -56.07119 1.47473 1.80244 -55.80307 459.08313
7390.0000 -57.20141 -55.81527 1.38614 1.78915 -55.91370 435.29600
7395.0000 -57.20727 -55.44142 1.76584 1.78455 -55.95192 407.90650
7400.0000 -57.19250 -55.98689 1.20561 1.79952 -55.82738 427.86733
7405.0000 -57.18951 -56.04247 1.14704 1.75844 -56.16921 389.17697
7410.0000 -57.63826 -56.39526 1.24301 1.74779 -56.25782 391.91879
7415.0000 -57.28275 -56.36030 0.92245 1.75827 -56.17060 388.33578
7420.0000 -57.23991 -56.03109 1.20882 1.77958 -55.99332 406.52718
7425.0000 -57.32903 -56.15857 1.17046 1.78409 -55.95577 417.59977
7430.0000 -56.75459 -55.54242 1.21217 1.81840 -55.67033 450.92027
7435.0000 -57.22495 -55.98782 1.23713 1.78386 -55.95766 403.40342
7440.0000 -57.38834 -56.03661 1.35173 1.77876 -56.00016 426.07625
7445.0000 -57.28428 -55.73461 1.54967 1.82512 -55.61436 459.29210
7450.0000 -57.25462 -55.88071 1.37391 1.81108 -55.73121 465.10906
7455.0000 -56.90705 -55.31422 1.59283 1.82511 -55.61449 471.98040
7460.0000 -57.33714 -55.60465 1.73248 1.84150 -55.47807 486.31260
7465.0000 -57.23648 -55.47833 1.75815 1.79645 -55.85290 438.51663
7470.0000 -57.27716 -55.50420 1.77296 1.82982 -55.57525 476.73654
7475.0000 -57.40377 -55.99807 1.40570 1.81981 -55.65859 467.99237
7480.0000 -57.41322 -56.08026 1.33295 1.76001 -56.15616 392.38214
7485.0000 -57.21076 -55.92813 1.28262 1.77662 -56.01790 394.82249
7490.0000 -57.52243 -56.08675 1.43569 1.79186 -55.89116 429.40886
7495.0000 -57.52272 -56.28988 1.23283 1.75595 -56.18987 406.57982
7500.0000 -57.49344 -56.23762 1.25582 1.75791 -56.17360 415.08451
FREEZING PROCESS: loop number 31 T-loop= 412.00000000000000
main_MD> interactions number 31 at Temperature= 412.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85831 -0.59478 -1.44345
force_rgl> df(natom) 1.06317 0.72592 0.83839
7505.0000 -57.48294 -56.15801 1.32494 1.76598 -56.10647 423.10839
7510.0000 -56.58318 -55.07065 1.51252 1.81493 -55.69916 447.20208
7515.0000 -57.21112 -55.75287 1.45825 1.83060 -55.56875 493.22154
7520.0000 -57.81683 -56.30330 1.51353 1.75894 -56.16502 408.08267
7525.0000 -57.51724 -56.37120 1.14604 1.73268 -56.38355 373.05929
7530.0000 -57.48101 -56.55691 0.92411 1.71106 -56.56340 341.88261
7535.0000 -57.55780 -56.39722 1.16058 1.74054 -56.31810 380.29166
7540.0000 -57.33341 -56.11596 1.21745 1.71588 -56.52331 364.41911
7545.0000 -56.94942 -55.58256 1.36686 1.80820 -55.75514 457.81235
7550.0000 -57.48521 -56.06753 1.41768 1.78241 -55.96974 439.71899
7555.0000 -57.36588 -56.38910 0.97678 1.74717 -56.26292 387.04063
7560.0000 -57.78246 -56.64711 1.13535 1.70229 -56.63640 325.26081
7565.0000 -57.40922 -56.38151 1.02771 1.73328 -56.37854 363.93778
7570.0000 -57.51037 -56.25675 1.25362 1.72185 -56.47360 368.45538
7575.0000 -57.13835 -55.92778 1.21057 1.73580 -56.35752 380.78807
7580.0000 -57.57979 -56.20401 1.37577 1.76441 -56.11952 436.44690
7585.0000 -57.23977 -56.22193 1.01784 1.75964 -56.15923 412.93956
7590.0000 -57.19156 -55.67496 1.51660 1.75341 -56.21104 419.91922
7595.0000 -57.25034 -55.98323 1.26711 1.81853 -55.66918 486.13432
7600.0000 -57.53578 -56.30334 1.23244 1.74072 -56.31663 392.73420
7605.0000 -57.60054 -56.26612 1.33441 1.75259 -56.21788 397.91004
7610.0000 -57.01995 -55.60086 1.41909 1.76381 -56.12455 415.52242
7615.0000 -56.99633 -55.93741 1.05892 1.79705 -55.84795 444.02075
7620.0000 -57.65739 -56.66464 0.99275 1.74242 -56.30250 396.22418
7625.0000 -56.88852 -55.55669 1.33183 1.76858 -56.08481 430.18413
7630.0000 -57.28053 -55.48787 1.79267 1.82274 -55.63422 466.01011
7635.0000 -57.45536 -55.89949 1.55586 1.82527 -55.61312 484.35034
7640.0000 -57.37821 -56.22726 1.15095 1.77734 -56.01193 443.59801
7645.0000 -57.50428 -56.37182 1.13246 1.75972 -56.15857 411.10351
7650.0000 -57.65435 -56.35707 1.29728 1.74862 -56.25087 376.11204
7655.0000 -56.97534 -55.85393 1.12141 1.77088 -56.06565 418.99457
7660.0000 -57.39348 -56.20232 1.19116 1.77709 -56.01398 423.18680
7665.0000 -57.23433 -56.04799 1.18634 1.76862 -56.08446 405.27848
7670.0000 -57.41501 -56.16418 1.25083 1.75280 -56.21609 384.12914
7675.0000 -57.05632 -55.75783 1.29849 1.77851 -56.00223 409.48857
7680.0000 -57.67057 -56.46655 1.20403 1.76826 -56.08750 391.81473
7685.0000 -57.42374 -56.36266 1.06108 1.71568 -56.52494 357.12045
7690.0000 -57.55958 -56.37806 1.18152 1.72867 -56.41691 362.32141
7695.0000 -57.73432 -56.40616 1.32816 1.74460 -56.28431 371.70581
7700.0000 -57.53423 -56.05953 1.47470 1.79470 -55.86752 461.10620
7705.0000 -57.41977 -55.94204 1.47773 1.80685 -55.76638 467.06200
7710.0000 -57.43057 -56.24145 1.18912 1.75356 -56.20975 396.27827
7715.0000 -57.39113 -56.13499 1.25613 1.75803 -56.17261 398.78140
7720.0000 -57.35118 -55.92440 1.42678 1.75975 -56.15831 381.89238
7725.0000 -57.30211 -55.70424 1.59787 1.79503 -55.86471 444.44349
7730.0000 -57.11668 -55.34864 1.76803 1.82661 -55.60203 479.16335
7735.0000 -57.44846 -55.88799 1.56048 1.82108 -55.64799 473.98493
7740.0000 -57.22007 -56.12344 1.09663 1.76906 -56.08085 418.60516
7745.0000 -57.69605 -55.97708 1.71897 1.74482 -56.28252 388.75178
7750.0000 -57.03532 -56.02759 1.00773 1.78308 -55.96415 422.01039
FREEZING PROCESS: loop number 32 T-loop= 387.00000000000000
main_MD> interactions number 32 at Temperature= 387.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69832 -1.03182 -1.45538
force_rgl> df(natom) 0.63044 -0.76339 0.19187
7755.0000 -57.70554 -56.49303 1.21251 1.71041 -56.56885 332.10181
7760.0000 -57.40527 -56.06139 1.34388 1.74093 -56.31490 382.34696
7765.0000 -57.60971 -56.43222 1.17749 1.76528 -56.11228 416.47652
7770.0000 -57.25448 -56.22039 1.03409 1.76015 -56.15497 382.16534
7775.0000 -57.19668 -56.09854 1.09814 1.77229 -56.05397 407.17433
7780.0000 -57.49656 -56.23971 1.25685 1.77345 -56.04428 399.40185
7785.0000 -57.13880 -55.92616 1.21264 1.75850 -56.16869 382.52359
7790.0000 -57.20581 -55.80518 1.40063 1.78683 -55.93299 419.03383
7795.0000 -57.18046 -55.75183 1.42864 1.79183 -55.89140 427.44934
7800.0000 -57.56330 -56.22604 1.33726 1.79517 -55.86361 442.20475
7805.0000 -57.46627 -56.13648 1.32978 1.76884 -56.08266 403.66797
7810.0000 -57.42790 -56.23617 1.19173 1.73322 -56.37899 361.42823
7815.0000 -57.63116 -56.43587 1.19529 1.71830 -56.50315 355.17991
7820.0000 -57.72452 -56.73211 0.99240 1.71603 -56.52204 344.46440
7825.0000 -57.75720 -56.93322 0.82398 1.70382 -56.62366 327.75987
7830.0000 -57.85564 -56.84500 1.01065 1.66292 -56.96397 282.38739
7835.0000 -57.52724 -56.61677 0.91048 1.68792 -56.75597 317.31117
7840.0000 -57.29236 -56.41382 0.87854 1.71977 -56.49093 345.24521
7845.0000 -57.44369 -56.37835 1.06535 1.73619 -56.35436 344.60809
7850.0000 -57.46796 -56.14885 1.31911 1.74002 -56.32247 360.59912
7855.0000 -57.11504 -55.98534 1.12969 1.77631 -56.02051 408.08001
7860.0000 -57.07385 -56.10542 0.96843 1.76364 -56.12589 397.08264
7865.0000 -57.40363 -56.23223 1.17140 1.76366 -56.12578 400.63957
7870.0000 -57.29589 -56.08068 1.21521 1.75684 -56.18251 395.38992
7875.0000 -57.52235 -56.30374 1.21861 1.75293 -56.21504 376.18176
7880.0000 -57.23256 -56.13283 1.09973 1.75227 -56.22052 382.94090
7885.0000 -57.72575 -56.11341 1.61234 1.76609 -56.10554 434.27291
7890.0000 -56.85569 -55.97235 0.88334 1.78903 -55.91471 417.73220
7895.0000 -57.23099 -56.26388 0.96711 1.76519 -56.11307 402.03969
7900.0000 -57.71003 -56.24620 1.46383 1.75650 -56.18529 409.02739
7905.0000 -57.80205 -56.36647 1.43558 1.73743 -56.34399 384.44863
7910.0000 -57.09134 -55.93796 1.15338 1.76109 -56.14711 409.40560
7915.0000 -57.51088 -55.82527 1.68561 1.81080 -55.73354 449.45779
7920.0000 -57.53396 -56.33420 1.19976 1.76988 -56.07397 407.34641
7925.0000 -57.23729 -56.23856 0.99873 1.75134 -56.22829 396.04123
7930.0000 -57.43795 -56.08419 1.35376 1.77852 -56.00215 413.41734
7935.0000 -57.50347 -56.49144 1.01203 1.71689 -56.51491 342.59754
7940.0000 -57.73667 -56.66336 1.07330 1.71623 -56.52038 336.94214
7945.0000 -57.30292 -56.31051 0.99241 1.69923 -56.66180 322.84100
7950.0000 -56.93354 -55.67778 1.25576 1.75384 -56.20746 382.19244
7955.0000 -57.01176 -55.72361 1.28815 1.80513 -55.78072 452.50076
7960.0000 -57.38978 -56.06278 1.32701 1.77740 -56.01144 408.88803
7965.0000 -57.56465 -56.20216 1.36249 1.76144 -56.14420 397.80947
7970.0000 -57.56873 -56.36215 1.20659 1.72666 -56.43357 338.16355
7975.0000 -57.76269 -56.38160 1.38109 1.76043 -56.15263 389.57382
7980.0000 -57.56871 -56.37488 1.19383 1.73562 -56.35902 362.08256
7985.0000 -57.46487 -56.11480 1.35007 1.74485 -56.28225 370.28703
7990.0000 -57.62220 -56.33560 1.28660 1.74665 -56.26730 360.19176
7995.0000 -57.58149 -56.20642 1.37507 1.74662 -56.26751 382.11349
8000.0000 -57.51843 -56.07940 1.43903 1.78117 -55.98003 392.56363
FREEZING PROCESS: loop number 33 T-loop= 362.00000000000000
main_MD> interactions number 33 at Temperature= 362.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34320 0.15596 -0.94408
force_rgl> df(natom) -0.29822 -0.13346 -0.35639
8005.0000 -57.58855 -55.98298 1.60557 1.78105 -55.98103 418.26280
8010.0000 -57.27365 -55.81620 1.45746 1.77647 -56.01920 422.94818
8015.0000 -57.52040 -56.30574 1.21467 1.76134 -56.14503 402.83479
8020.0000 -57.71699 -56.75937 0.95762 1.71577 -56.52425 343.32734
8025.0000 -57.75782 -56.59636 1.16147 1.68825 -56.75316 298.53611
8030.0000 -57.56744 -56.64142 0.92602 1.70394 -56.62267 319.53365
8035.0000 -57.27675 -56.18522 1.09153 1.71861 -56.50056 345.92926
8040.0000 -57.49647 -56.24813 1.24834 1.75344 -56.21080 387.52871
8045.0000 -57.73267 -56.59092 1.14176 1.74610 -56.27187 382.01673
8050.0000 -57.52265 -56.37151 1.15114 1.72917 -56.41274 372.72732
8055.0000 -57.47855 -56.45908 1.01947 1.71919 -56.49574 352.00754
8060.0000 -57.68624 -56.38131 1.30492 1.72701 -56.43071 352.35943
8065.0000 -57.58802 -56.72044 0.86758 1.70586 -56.60667 310.63693
8070.0000 -57.80502 -56.28409 1.52093 1.70193 -56.63939 310.13373
8075.0000 -57.23653 -55.79294 1.44360 1.78455 -55.95198 407.14758
8080.0000 -57.64030 -56.41294 1.22736 1.74752 -56.26008 368.48990
8085.0000 -57.21167 -55.93390 1.27778 1.74560 -56.27599 368.17228
8090.0000 -57.46377 -56.35073 1.11304 1.77306 -56.04753 426.08922
8095.0000 -57.34440 -56.45011 0.89428 1.74172 -56.30832 362.29307
8100.0000 -57.43325 -56.37112 1.06212 1.75578 -56.19135 408.91866
8105.0000 -57.01157 -55.80331 1.20826 1.75342 -56.21100 375.84668
8110.0000 -57.39518 -56.19496 1.20022 1.76959 -56.07646 384.31346
8115.0000 -57.53234 -56.79778 0.73456 1.75645 -56.18577 374.71389
8120.0000 -57.23899 -56.19065 1.04834 1.72847 -56.41857 348.14727
8125.0000 -57.31081 -56.28369 1.02712 1.76826 -56.08750 384.91175
8130.0000 -57.80188 -56.76674 1.03514 1.70881 -56.58216 315.56581
8135.0000 -57.86155 -56.63331 1.22824 1.66924 -56.91136 274.52533
8140.0000 -57.10855 -56.22464 0.88391 1.74632 -56.27002 371.12576
8145.0000 -57.32737 -56.04275 1.28462 1.77679 -56.01655 415.65506
8150.0000 -57.80822 -56.80751 1.00071 1.72715 -56.42957 386.91031
8155.0000 -57.55787 -56.72209 0.83578 1.70886 -56.58174 344.06301
8160.0000 -57.90398 -56.74979 1.15418 1.72272 -56.46641 362.30205
8165.0000 -57.58675 -56.66010 0.92666 1.69507 -56.69648 334.50917
8170.0000 -58.09619 -57.12658 0.96961 1.67305 -56.87965 306.20986
8175.0000 -57.91008 -57.04816 0.86192 1.66224 -56.96960 290.90235
8180.0000 -57.63721 -56.64329 0.99392 1.68273 -56.79913 318.05430
8185.0000 -57.54384 -56.44903 1.09481 1.71215 -56.55433 353.13967
8190.0000 -57.85844 -56.63761 1.22082 1.72245 -56.46861 368.47074
8195.0000 -57.50116 -56.49174 1.00943 1.68542 -56.77677 314.02607
8200.0000 -57.52446 -56.03386 1.49060 1.73510 -56.36338 384.21847
8205.0000 -57.68653 -56.61529 1.07124 1.74766 -56.25884 373.86018
8210.0000 -57.71974 -56.32988 1.38986 1.70658 -56.60072 335.36938
8215.0000 -57.26034 -56.18724 1.07311 1.74873 -56.25001 389.06419
8220.0000 -57.65996 -56.59471 1.06524 1.72531 -56.44486 355.88710
8225.0000 -57.89912 -56.99302 0.90610 1.72032 -56.48636 376.27700
8230.0000 -57.18859 -56.29992 0.88867 1.67691 -56.84758 306.65954
8235.0000 -57.41535 -56.46631 0.94904 1.71365 -56.54184 336.03569
8240.0000 -57.86051 -56.82740 1.03311 1.70372 -56.62451 338.54278
8245.0000 -57.86151 -56.42904 1.43247 1.70265 -56.63336 356.03653
8250.0000 -57.62391 -56.36621 1.25770 1.73043 -56.40226 386.94681
FREEZING PROCESS: loop number 34 T-loop= 337.00000000000000
main_MD> interactions number 34 at Temperature= 337.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53646 -0.78579 -1.08433
force_rgl> df(natom) 1.44860 1.18790 -0.58787
8255.0000 -57.93407 -57.01741 0.91666 1.69705 -56.67995 340.51540
8260.0000 -57.86780 -57.21905 0.64875 1.67231 -56.88585 307.44139
8265.0000 -57.54663 -56.67788 0.86874 1.68203 -56.80491 312.69509
8270.0000 -57.70425 -56.47770 1.22655 1.72137 -56.47765 360.49215
8275.0000 -57.60074 -56.47124 1.12950 1.74647 -56.26880 378.45243
8280.0000 -57.35472 -56.44679 0.90793 1.70176 -56.64077 320.78491
8285.0000 -57.77719 -56.66022 1.11697 1.70734 -56.59439 335.41653
8290.0000 -57.75119 -57.00784 0.74335 1.68149 -56.80946 310.84996
8295.0000 -57.56050 -56.79009 0.77041 1.65999 -56.98835 279.39970
8300.0000 -57.53234 -56.36065 1.17169 1.71230 -56.55305 340.73893
8305.0000 -57.39976 -56.30829 1.09146 1.74472 -56.28335 382.10611
8310.0000 -57.62847 -56.40500 1.22348 1.72035 -56.48607 352.89586
8315.0000 -57.58740 -56.34482 1.24258 1.75284 -56.21579 398.71266
8320.0000 -57.47915 -56.20516 1.27399 1.73908 -56.33024 365.83588
8325.0000 -57.66808 -56.40653 1.26155 1.70709 -56.59648 340.55520
8330.0000 -57.48367 -56.05132 1.43235 1.74732 -56.26175 379.84381
8335.0000 -57.53902 -56.45354 1.08548 1.75299 -56.21455 383.10005
8340.0000 -57.47990 -56.61835 0.86155 1.70352 -56.62616 330.25169
8345.0000 -57.61416 -56.46390 1.15026 1.71296 -56.54764 331.34629
8350.0000 -57.62550 -56.34421 1.28130 1.71716 -56.51264 343.12850
8355.0000 -57.40275 -56.30043 1.10232 1.72846 -56.41867 346.61116
8360.0000 -57.48677 -56.63484 0.85193 1.70734 -56.59432 336.13414
8365.0000 -57.62304 -56.45691 1.16613 1.69877 -56.66568 319.20177
8370.0000 -57.80557 -56.56231 1.24327 1.69150 -56.72619 317.88909
8375.0000 -57.30779 -56.38205 0.92574 1.73326 -56.37869 368.75584
8380.0000 -57.39017 -56.23880 1.15137 1.74421 -56.28756 382.71524
8385.0000 -57.54463 -56.35962 1.18501 1.74635 -56.26978 390.60296
8390.0000 -57.62911 -56.32700 1.30211 1.71777 -56.50755 350.02713
8395.0000 -57.28648 -56.06231 1.22416 1.74796 -56.25639 377.18610
8400.0000 -57.73866 -56.63047 1.10819 1.73146 -56.39369 350.56360
8405.0000 -57.77062 -56.59679 1.17383 1.69821 -56.67031 315.18285
8410.0000 -57.41531 -56.30447 1.11084 1.72307 -56.46350 359.79496
8415.0000 -57.84942 -57.02826 0.82116 1.68295 -56.79728 295.55342
8420.0000 -57.46214 -56.47897 0.98318 1.69411 -56.70444 315.19584
8425.0000 -57.79246 -56.93640 0.85606 1.69971 -56.65784 320.22070
8430.0000 -57.19882 -56.31881 0.88001 1.71966 -56.49182 342.11090
8435.0000 -57.39780 -56.19102 1.20678 1.74699 -56.26447 385.36516
8440.0000 -57.04534 -56.13756 0.90778 1.74004 -56.32230 360.86148
8445.0000 -57.81955 -56.65820 1.16134 1.72746 -56.42691 354.50326
8450.0000 -57.59770 -56.60490 0.99280 1.71205 -56.55515 329.98949
8455.0000 -57.51909 -56.28133 1.23776 1.70185 -56.64000 322.22989
8460.0000 -57.69669 -56.75703 0.93966 1.72789 -56.42338 362.91138
8465.0000 -57.56584 -56.42638 1.13945 1.69129 -56.72789 317.91129
8470.0000 -57.66977 -56.53517 1.13460 1.69642 -56.68519 312.99258
8475.0000 -57.56934 -56.55049 1.01885 1.69876 -56.66577 314.59654
8480.0000 -57.55752 -56.72649 0.83103 1.69739 -56.67712 312.76576
8485.0000 -57.36456 -56.31592 1.04863 1.71817 -56.50427 346.06718
8490.0000 -57.64388 -56.63934 1.00454 1.75011 -56.23854 390.38038
8495.0000 -57.11089 -56.25584 0.85505 1.71778 -56.50752 340.27775
8500.0000 -57.88851 -56.97730 0.91121 1.69698 -56.68054 303.64074
FREEZING PROCESS: loop number 35 T-loop= 312.00000000000000
main_MD> interactions number 35 at Temperature= 312.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.18087 -0.67254 -0.16057
force_rgl> df(natom) 1.04909 0.01253 -1.44395
8505.0000 -57.97982 -57.04238 0.93744 1.65341 -57.04308 250.90845
8510.0000 -57.76558 -56.87294 0.89264 1.64213 -57.13692 239.62371
8515.0000 -57.60025 -56.54824 1.05201 1.68880 -56.74861 317.76536
8520.0000 -57.75256 -56.68156 1.07099 1.71609 -56.52159 339.91745
8525.0000 -57.53435 -56.76533 0.76902 1.67236 -56.88537 290.34702
8530.0000 -57.59749 -56.36218 1.23532 1.72605 -56.43870 358.24426
8535.0000 -57.45450 -56.71008 0.74441 1.72450 -56.45158 354.06227
8540.0000 -57.71812 -56.70912 1.00900 1.69994 -56.65591 324.23537
8545.0000 -57.98612 -56.98059 1.00553 1.67614 -56.85398 292.76698
8550.0000 -57.55039 -56.47508 1.07530 1.68966 -56.74148 306.45847
8555.0000 -57.31793 -56.28896 1.02897 1.71816 -56.50433 347.43089
8560.0000 -57.57184 -56.43976 1.13208 1.73754 -56.34305 370.40819
8565.0000 -57.56467 -56.26891 1.29577 1.72834 -56.41962 353.83597
8570.0000 -57.50085 -56.63630 0.86455 1.69838 -56.66889 318.17128
8575.0000 -57.50476 -56.47566 1.02910 1.67904 -56.82979 302.79401
8580.0000 -57.87804 -56.77825 1.09979 1.69599 -56.68883 311.45673
8585.0000 -57.88012 -56.83567 1.04445 1.68313 -56.79580 305.02703
8590.0000 -57.84622 -57.04968 0.79654 1.65174 -57.05695 252.93427
8595.0000 -57.55645 -56.33038 1.22607 1.70014 -56.65423 316.71371
8600.0000 -57.61386 -56.62855 0.98531 1.70843 -56.58530 319.83354
8605.0000 -57.65224 -56.47180 1.18044 1.71327 -56.54504 324.49706
8610.0000 -57.89463 -57.19167 0.70296 1.67289 -56.88096 273.80322
8615.0000 -57.86106 -56.86934 0.99173 1.66685 -56.93125 279.07308
8620.0000 -57.85947 -57.00806 0.85141 1.67246 -56.88456 304.73681
8625.0000 -57.65559 -56.53730 1.11829 1.68168 -56.80786 322.26835
8630.0000 -57.80053 -56.85903 0.94150 1.70452 -56.61781 360.50807
8635.0000 -57.74904 -57.01354 0.73550 1.68813 -56.75416 314.05605
8640.0000 -57.89911 -57.02429 0.87482 1.68897 -56.74724 328.32880
8645.0000 -57.99652 -57.23834 0.75818 1.64913 -57.07869 271.90462
8650.0000 -57.87925 -56.84607 1.03318 1.65198 -57.05500 272.71889
8655.0000 -57.67311 -56.84464 0.82847 1.68825 -56.75319 320.11286
8660.0000 -57.79306 -56.88672 0.90635 1.65649 -57.01746 279.12063
8665.0000 -57.92613 -56.92470 1.00143 1.66659 -56.93344 295.75725
8670.0000 -57.44562 -56.48096 0.96466 1.68305 -56.79647 321.52463
8675.0000 -57.74355 -56.69796 1.04560 1.70325 -56.62837 328.63916
8680.0000 -57.80392 -56.78681 1.01711 1.68351 -56.79267 309.34166
8685.0000 -58.07156 -56.93596 1.13559 1.66863 -56.91644 297.67059
8690.0000 -57.68839 -56.52835 1.16004 1.67802 -56.83828 315.14366
8695.0000 -57.78672 -56.95565 0.83107 1.68332 -56.79420 307.92662
8700.0000 -57.98331 -57.16684 0.81646 1.65803 -57.00465 285.87197
8705.0000 -57.83486 -56.75134 1.08352 1.65536 -57.02689 279.04473
8710.0000 -57.56355 -56.59778 0.96577 1.69639 -56.68543 321.85609
8715.0000 -57.83360 -56.81916 1.01444 1.71989 -56.48990 370.20585
8720.0000 -57.53585 -56.58203 0.95382 1.67778 -56.84031 312.41949
8725.0000 -57.51736 -56.64945 0.86791 1.70456 -56.61751 334.58495
8730.0000 -58.00307 -57.23821 0.76486 1.65669 -57.01580 275.29790
8735.0000 -57.94506 -57.10437 0.84069 1.63500 -57.19623 258.46694
8740.0000 -57.86825 -57.06779 0.80046 1.65562 -57.02465 286.19101
8745.0000 -57.96689 -57.11668 0.85021 1.63299 -57.21300 252.74659
8750.0000 -57.78998 -56.70487 1.08511 1.65733 -57.01042 274.98570
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 3.2513129 [s].
main_MD> Deallocating global variables
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