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nanoparticlesims/growth_Melting_Silver_ICO_3269/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: 1800
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> -6.9635625476709137E-002 6.9169373837757080E-003 4.3409045256953029E-002 initial drift of cluster / NP1 for coalescence
init> 0.33027195985566882 0.36155597048053512 0.26150806934305820 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7393232834142410E-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) -3.03393 1.90043 0.63861
force_rgl> df(natom) 4.69890 -6.28744 4.63646
preparo> THERMALIZATION PROCESS AT 1213.4181938535571
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -50.345006708526718 2.8607564841224700 -53.205763192649187 5.5819515373344659E-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 36
FREEZING PROCESS: loop number 1 T-loop= 1188.0000000000000
main_MD> interactions number 1 at Temperature= 1188.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33528 0.33217 -0.38380
force_rgl> df(natom) -0.14706 2.72318 1.19126
5.0000 -53.97901 -49.33527 4.64374 2.54096 -49.65836 1136.19844
10.0000 -53.31202 -49.85103 3.46099 2.52952 -49.75352 1213.70351
15.0000 -53.76929 -50.70379 3.06550 2.49861 -50.01071 1095.19266
20.0000 -54.14338 -50.40718 3.73619 2.48083 -50.15867 1127.47250
25.0000 -53.40311 -50.22245 3.18066 2.46733 -50.27101 1119.86574
30.0000 -53.99521 -50.47280 3.52241 2.46820 -50.26376 1108.42642
35.0000 -53.37936 -50.09251 3.28685 2.48807 -50.09845 1076.01387
40.0000 -54.29714 -50.34708 3.95006 2.45657 -50.36049 1119.74717
45.0000 -53.54633 -50.45876 3.08757 2.47969 -50.16819 1119.85770
50.0000 -53.80721 -51.13281 2.67440 2.46828 -50.26310 1135.24458
55.0000 -54.00952 -51.41637 2.59315 2.34376 -51.29915 985.56993
60.0000 -53.33303 -49.97422 3.35881 2.43525 -50.53792 1122.05131
65.0000 -53.71872 -50.18281 3.53591 2.52493 -49.79170 1140.73275
70.0000 -54.62246 -50.26995 4.35251 2.44000 -50.49838 1107.76426
75.0000 -52.45534 -48.39433 4.06101 2.61730 -49.02319 1240.23684
80.0000 -52.77497 -48.96349 3.81149 2.56554 -49.45389 1236.61749
85.0000 -54.43084 -50.33942 4.09142 2.51083 -49.90903 1215.75928
90.0000 -54.01538 -50.55372 3.46166 2.48027 -50.16332 1172.32667
95.0000 -54.22695 -51.26898 2.95797 2.40051 -50.82698 1050.87333
100.0000 -53.66699 -50.65972 3.00728 2.33415 -51.37909 1004.87349
105.0000 -53.07823 -50.45077 2.62746 2.47505 -50.20677 1094.33951
110.0000 -54.01694 -50.16584 3.85110 2.44303 -50.47318 1032.50746
115.0000 -53.77738 -48.91323 4.86415 2.60545 -49.12178 1262.82329
120.0000 -53.04222 -49.33569 3.70653 2.64291 -48.81014 1322.96066
125.0000 -52.47568 -48.52682 3.94886 2.60962 -49.08706 1222.18925
130.0000 -52.87207 -48.89987 3.97220 2.61662 -49.02887 1277.74599
135.0000 -52.66634 -48.58938 4.07696 2.64297 -48.80964 1216.94648
140.0000 -52.98363 -49.14509 3.83854 2.68059 -48.49663 1350.77681
145.0000 -52.96691 -48.20519 4.76172 2.57188 -49.40106 1272.45669
150.0000 -53.36006 -48.84630 4.51375 2.66210 -48.65042 1305.21746
155.0000 -52.59555 -48.89963 3.69592 2.66061 -48.66283 1272.17539
160.0000 -53.65222 -49.83171 3.82051 2.55889 -49.50917 1242.72585
165.0000 -53.51453 -49.41723 4.09731 2.48509 -50.12318 1120.01479
170.0000 -53.36859 -50.72091 2.64767 2.50930 -49.92177 1119.45889
175.0000 -53.19590 -49.94076 3.25514 2.41790 -50.68222 1052.21490
180.0000 -52.76883 -49.40173 3.36710 2.55514 -49.54040 1205.60287
185.0000 -53.71653 -49.90728 3.80925 2.51377 -49.88460 1154.42659
190.0000 -52.71510 -48.98338 3.73172 2.66844 -48.59765 1299.88701
195.0000 -53.70157 -49.66934 4.03223 2.59421 -49.21527 1246.08205
200.0000 -54.07844 -51.11803 2.96042 2.47134 -50.23764 1121.57017
205.0000 -53.21698 -50.51104 2.70594 2.37201 -51.06406 987.89354
210.0000 -53.95141 -50.49467 3.45675 2.38099 -50.98939 1054.66497
215.0000 -52.06646 -48.94746 3.11900 2.55252 -49.56222 1179.61155
220.0000 -51.45194 -47.76073 3.69122 2.68503 -48.45967 1236.31406
225.0000 -52.49418 -48.35601 4.13817 2.66022 -48.66604 1297.43167
230.0000 -51.29627 -47.17425 4.12202 2.74699 -47.94416 1421.94510
235.0000 -53.99019 -49.80677 4.18341 2.72724 -48.10844 1344.60997
240.0000 -53.15842 -48.33832 4.82010 2.60424 -49.13181 1240.02220
245.0000 -54.30019 -50.83549 3.46469 2.53321 -49.72287 1182.54782
250.0000 -53.07417 -49.72775 3.34641 2.44083 -50.49149 1097.72598
FREEZING PROCESS: loop number 2 T-loop= 1163.0000000000000
main_MD> interactions number 2 at Temperature= 1163.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28207 2.08351 -2.73063
force_rgl> df(natom) 0.72046 1.53545 0.50494
255.0000 -53.14635 -49.60640 3.53995 2.54181 -49.65129 1204.69628
260.0000 -54.10006 -49.86717 4.23289 2.49496 -50.04112 1159.54495
265.0000 -53.20579 -50.48026 2.72553 2.45972 -50.33427 1108.41044
270.0000 -53.63076 -49.80396 3.82680 2.45390 -50.38274 1131.29873
275.0000 -53.86392 -50.55090 3.31302 2.46756 -50.26906 1176.57658
280.0000 -53.99932 -51.34560 2.65372 2.39225 -50.89569 1027.98214
285.0000 -54.08549 -51.17200 2.91350 2.41939 -50.66989 1099.56389
290.0000 -54.20337 -50.88107 3.32230 2.35350 -51.21806 1009.77028
295.0000 -54.11251 -49.67455 4.43796 2.52148 -49.82048 1160.70942
300.0000 -52.80008 -48.82659 3.97348 2.60388 -49.13483 1347.72344
305.0000 -54.12213 -49.92837 4.19377 2.57725 -49.35640 1195.26229
310.0000 -53.78039 -49.67256 4.10783 2.55356 -49.55351 1212.29249
315.0000 -54.01283 -50.27221 3.74062 2.53698 -49.69146 1255.95487
320.0000 -53.96783 -50.28662 3.68121 2.55205 -49.56606 1248.00054
325.0000 -53.09801 -49.13361 3.96440 2.49959 -50.00258 1194.77236
330.0000 -52.98933 -49.10074 3.88859 2.56992 -49.41740 1247.70061
335.0000 -52.33000 -48.56726 3.76274 2.67794 -48.51868 1290.20738
340.0000 -54.21160 -51.16092 3.05068 2.46681 -50.27534 1089.94365
345.0000 -53.83701 -50.19493 3.64208 2.44432 -50.46247 1119.84666
350.0000 -54.29337 -51.14546 3.14791 2.49662 -50.02725 1155.44577
355.0000 -54.08046 -51.19283 2.88763 2.37345 -51.05209 1060.29179
360.0000 -52.59395 -48.74392 3.85004 2.46653 -50.27765 1109.36162
365.0000 -53.57950 -49.24668 4.33283 2.62753 -48.93804 1228.32160
370.0000 -53.44040 -50.03368 3.40673 2.56079 -49.49333 1184.02810
375.0000 -54.24502 -50.76178 3.48323 2.44937 -50.42038 1033.73222
380.0000 -53.61769 -49.97699 3.64070 2.47829 -50.17982 1040.23545
385.0000 -53.47556 -49.51191 3.96365 2.59610 -49.19962 1190.62780
390.0000 -53.34343 -50.01721 3.32622 2.56555 -49.45378 1181.20169
395.0000 -53.55847 -50.61110 2.94737 2.41670 -50.69227 1102.37992
400.0000 -53.75155 -50.99077 2.76079 2.35517 -51.20421 987.23716
405.0000 -54.15788 -50.22012 3.93775 2.43472 -50.54235 1148.65851
410.0000 -52.64072 -49.58296 3.05776 2.48179 -50.15064 1119.06659
415.0000 -53.41461 -50.35152 3.06308 2.53019 -49.74797 1149.41739
420.0000 -53.28500 -50.03258 3.25242 2.40898 -50.75647 1065.65448
425.0000 -55.19728 -51.41985 3.77743 2.36436 -51.12772 1043.59466
430.0000 -53.57991 -50.97132 2.60859 2.33212 -51.39602 999.68144
435.0000 -53.92424 -50.11299 3.81125 2.46844 -50.26174 1060.74192
440.0000 -54.08752 -50.82761 3.25991 2.38271 -50.97508 1043.08525
445.0000 -52.71121 -49.94582 2.76539 2.41743 -50.68613 1100.18194
450.0000 -51.12791 -47.48248 3.64543 2.65083 -48.74424 1295.37088
455.0000 -52.32925 -48.10567 4.22357 2.72231 -48.14943 1361.85841
460.0000 -52.24473 -47.75850 4.48623 2.84247 -47.14969 1549.24765
465.0000 -52.87432 -49.03611 3.83822 2.59021 -49.24862 1252.85493
470.0000 -52.70691 -49.90191 2.80501 2.52247 -49.81220 1203.34675
475.0000 -54.24271 -50.14462 4.09810 2.49369 -50.05165 1101.77008
480.0000 -53.22718 -48.40986 4.81732 2.51956 -49.83639 1145.49302
485.0000 -53.36691 -48.90463 4.46227 2.64690 -48.77692 1270.85863
490.0000 -51.84191 -48.70474 3.13716 2.65598 -48.70132 1277.47235
495.0000 -53.80260 -49.83283 3.96977 2.61622 -49.03220 1200.57241
500.0000 -53.75994 -49.32051 4.43943 2.56859 -49.42846 1202.36326
FREEZING PROCESS: loop number 3 T-loop= 1138.0000000000000
main_MD> interactions number 3 at Temperature= 1138.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60364 2.12490 1.29558
force_rgl> df(natom) 5.53797 -2.66556 0.65948
505.0000 -53.13358 -49.61890 3.51468 2.55327 -49.55596 1197.73989
510.0000 -52.71038 -49.05728 3.65310 2.54729 -49.60565 1207.63063
515.0000 -52.38370 -48.90223 3.48146 2.65566 -48.70400 1266.87286
520.0000 -51.13271 -47.68469 3.44802 2.64668 -48.77874 1260.12057
525.0000 -53.58051 -49.19577 4.38473 2.69056 -48.41366 1290.72579
530.0000 -52.48440 -49.13998 3.34443 2.54880 -49.59315 1232.50306
535.0000 -52.85842 -49.16714 3.69128 2.62791 -48.93489 1278.45992
540.0000 -51.58623 -48.16960 3.41663 2.62739 -48.93921 1242.43065
545.0000 -52.72486 -49.46661 3.25825 2.74273 -47.97958 1336.73377
550.0000 -52.21653 -48.71375 3.50278 2.54802 -49.59963 1264.60957
555.0000 -52.60221 -47.72501 4.87720 2.69881 -48.34503 1449.46431
560.0000 -53.91490 -49.76824 4.14666 2.65632 -48.69852 1232.87355
565.0000 -53.11145 -49.64636 3.46509 2.55101 -49.57472 1249.55109
570.0000 -54.97416 -50.88991 4.08426 2.48702 -50.10716 1129.40854
575.0000 -54.29226 -51.03990 3.25236 2.39994 -50.83169 1048.73169
580.0000 -54.36741 -50.85762 3.50979 2.44157 -50.48533 1109.49285
585.0000 -54.52455 -50.98568 3.53887 2.43288 -50.55763 1037.64662
590.0000 -53.77834 -50.57679 3.20155 2.39203 -50.89754 1091.70176
595.0000 -54.06045 -50.37128 3.68917 2.38728 -50.93701 1037.72024
600.0000 -53.08675 -49.83354 3.25320 2.52793 -49.76678 1186.40392
605.0000 -53.48083 -49.84355 3.63728 2.54726 -49.60596 1193.45719
610.0000 -55.08516 -50.83959 4.24556 2.41549 -50.70233 1053.31357
615.0000 -52.79929 -49.29280 3.50650 2.47263 -50.22689 1129.54501
620.0000 -53.35397 -49.48298 3.87098 2.50334 -49.97141 1195.27938
625.0000 -53.80635 -50.10018 3.70617 2.49403 -50.04881 1121.12893
630.0000 -53.57705 -50.73075 2.84630 2.42540 -50.61988 1110.97812
635.0000 -53.97362 -50.31643 3.65719 2.44750 -50.43596 1076.46993
640.0000 -52.81729 -49.79108 3.02620 2.50376 -49.96784 1188.64060
645.0000 -52.97295 -50.14019 2.83276 2.37652 -51.02657 1081.83701
650.0000 -54.90287 -51.59906 3.30380 2.39555 -50.86819 1043.79745
655.0000 -53.38919 -50.13918 3.25002 2.42879 -50.59165 1108.64865
660.0000 -54.08531 -50.34163 3.74368 2.50222 -49.98067 1088.04415
665.0000 -53.09987 -50.49456 2.60530 2.43052 -50.57722 1055.62529
670.0000 -53.61019 -50.29862 3.31157 2.47694 -50.19103 1066.16526
675.0000 -53.53310 -50.13598 3.39712 2.42411 -50.63060 1071.06010
680.0000 -54.43684 -50.53783 3.89901 2.39361 -50.88435 1062.71600
685.0000 -53.91661 -50.52653 3.39008 2.48278 -50.14243 1149.89667
690.0000 -54.48958 -51.21233 3.27724 2.43695 -50.52378 1085.08017
695.0000 -53.46817 -50.15136 3.31680 2.47467 -50.20995 1159.38482
700.0000 -53.89271 -49.03424 4.85847 2.58534 -49.28907 1187.49991
705.0000 -53.81815 -50.53859 3.27956 2.56036 -49.49694 1254.51628
710.0000 -54.23221 -51.20178 3.03043 2.35758 -51.18410 1047.87706
715.0000 -53.26972 -50.46954 2.80018 2.41259 -50.72644 1079.39618
720.0000 -54.33162 -50.28105 4.05057 2.44604 -50.44813 1133.32013
725.0000 -53.58634 -50.66606 2.92028 2.44093 -50.49061 1079.58365
730.0000 -54.79182 -50.97651 3.81531 2.41426 -50.71259 1081.85271
735.0000 -54.50328 -50.56477 3.93851 2.35713 -51.18789 1072.32119
740.0000 -53.89937 -50.01977 3.87959 2.39101 -50.90599 1027.13565
745.0000 -53.68852 -49.50781 4.18072 2.51899 -49.84118 1204.96748
750.0000 -53.19738 -49.81864 3.37874 2.62540 -48.95581 1241.44941
FREEZING PROCESS: loop number 4 T-loop= 1113.0000000000000
main_MD> interactions number 4 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70682 2.00171 -3.60375
force_rgl> df(natom) -1.85119 -1.09384 1.96936
755.0000 -53.30095 -50.56557 2.73538 2.45420 -50.38020 1068.74190
760.0000 -53.84331 -49.87892 3.96440 2.38967 -50.91714 1077.21367
765.0000 -52.84143 -49.64771 3.19372 2.51766 -49.85220 1169.91114
770.0000 -53.05372 -49.27975 3.77396 2.59481 -49.21032 1260.78364
775.0000 -52.28144 -48.37988 3.90156 2.70471 -48.29587 1318.61424
780.0000 -53.04069 -49.53921 3.50148 2.57524 -49.37316 1215.40411
785.0000 -52.86152 -49.65210 3.20942 2.55407 -49.54924 1134.96999
790.0000 -53.36563 -51.00634 2.35929 2.49425 -50.04702 1083.21936
795.0000 -53.55778 -51.30823 2.24955 2.35910 -51.17147 955.88576
800.0000 -54.50832 -51.64986 2.85846 2.34616 -51.27920 942.98603
805.0000 -54.09517 -50.33096 3.76421 2.34691 -51.27292 981.20513
810.0000 -54.08972 -51.32693 2.76280 2.41195 -50.73178 1056.02925
815.0000 -53.61015 -50.71524 2.89491 2.40371 -50.80029 1016.30942
820.0000 -54.71802 -51.93959 2.77844 2.36269 -51.14160 947.12527
825.0000 -55.12175 -51.61360 3.50815 2.33826 -51.34492 1010.75452
830.0000 -54.84720 -50.54583 4.30137 2.38149 -50.98523 988.90463
835.0000 -54.00279 -51.13646 2.86633 2.38781 -50.93264 1071.26688
840.0000 -53.12370 -49.82961 3.29409 2.46681 -50.27530 1133.34449
845.0000 -53.17807 -49.75082 3.42725 2.44407 -50.46451 1084.75998
850.0000 -53.79959 -49.08188 4.71771 2.58867 -49.26141 1232.11846
855.0000 -54.37815 -51.30647 3.07168 2.48565 -50.11858 1109.82572
860.0000 -54.59184 -51.49656 3.09528 2.26706 -51.93728 881.94924
865.0000 -53.14199 -50.47570 2.66628 2.34588 -51.28148 975.28890
870.0000 -53.20616 -48.96069 4.24547 2.56551 -49.45408 1181.65500
875.0000 -53.44210 -50.49811 2.94399 2.49322 -50.05555 1107.52792
880.0000 -52.87774 -48.33392 4.54382 2.60476 -49.12756 1251.35257
885.0000 -52.06639 -47.79484 4.27154 2.79878 -47.51323 1419.81925
890.0000 -52.71183 -50.21214 2.49969 2.55666 -49.52774 1143.51920
895.0000 -54.58267 -51.84222 2.74045 2.33864 -51.34170 980.33533
900.0000 -53.39871 -50.23207 3.16664 2.45827 -50.34641 1086.99607
905.0000 -53.16511 -49.59450 3.57061 2.51990 -49.83357 1117.88036
910.0000 -52.12161 -49.42164 2.69997 2.54097 -49.65826 1155.93192
915.0000 -54.49042 -51.10814 3.38228 2.39402 -50.88095 996.08529
920.0000 -52.75175 -48.97146 3.78029 2.47386 -50.21666 1165.30735
925.0000 -53.72363 -50.48808 3.23555 2.51619 -49.86446 1192.53478
930.0000 -54.34725 -50.62297 3.72428 2.45874 -50.34245 1152.63172
935.0000 -54.32712 -52.18894 2.13817 2.37166 -51.06698 1014.21397
940.0000 -53.67959 -50.85813 2.82146 2.40633 -50.77855 1061.75894
945.0000 -53.23292 -50.52597 2.70695 2.44476 -50.45874 1101.39526
950.0000 -53.87018 -49.38797 4.48220 2.51434 -49.87981 1169.84040
955.0000 -53.98274 -50.19012 3.79262 2.55346 -49.55437 1188.05328
960.0000 -53.73169 -50.80473 2.92696 2.44472 -50.45910 1051.75028
965.0000 -53.40169 -50.28407 3.11762 2.41417 -50.71331 1097.56748
970.0000 -53.41835 -50.63634 2.78201 2.48957 -50.08594 1141.74641
975.0000 -54.37618 -49.90722 4.46897 2.45029 -50.41276 1095.85113
980.0000 -54.03942 -51.17612 2.86330 2.42578 -50.61672 1059.96594
985.0000 -53.33151 -49.97864 3.35287 2.45948 -50.33632 1065.61063
990.0000 -54.90532 -51.23937 3.66595 2.37600 -51.03087 986.97762
995.0000 -54.38668 -52.18645 2.20023 2.30380 -51.63165 924.40439
1000.0000 -53.48770 -51.10487 2.38283 2.31198 -51.56353 888.67683
FREEZING PROCESS: loop number 5 T-loop= 1088.0000000000000
main_MD> interactions number 5 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.39575 -1.84192 -5.54137
force_rgl> df(natom) 2.07668 2.62006 0.74180
1005.0000 -53.70383 -49.98600 3.71783 2.40460 -50.79290 1065.58873
1010.0000 -54.09986 -51.03991 3.05995 2.37871 -51.00831 1039.85245
1015.0000 -53.18881 -50.06230 3.12652 2.45467 -50.37630 1056.94693
1020.0000 -53.97245 -50.42227 3.55017 2.45918 -50.33882 1147.06407
1025.0000 -53.97287 -51.46611 2.50676 2.38499 -50.95607 1040.11363
1030.0000 -54.55150 -49.44477 5.10673 2.43444 -50.54464 1146.29442
1035.0000 -54.58998 -51.34367 3.24631 2.43604 -50.53136 1116.78894
1040.0000 -53.85831 -50.83815 3.02016 2.42552 -50.61889 1082.23359
1045.0000 -53.41296 -50.75551 2.65745 2.44977 -50.41713 1109.68933
1050.0000 -55.20363 -51.50877 3.69487 2.38074 -50.99144 1063.38243
1055.0000 -53.54067 -50.69126 2.84942 2.30992 -51.58065 974.59338
1060.0000 -52.35806 -49.09625 3.26181 2.50143 -49.98723 1127.57026
1065.0000 -53.05907 -49.35189 3.70718 2.55744 -49.52128 1149.39410
1070.0000 -53.68889 -50.16668 3.52221 2.52479 -49.79293 1163.78348
1075.0000 -53.22615 -48.51840 4.70775 2.58387 -49.30135 1166.21237
1080.0000 -53.28111 -50.09936 3.18175 2.65568 -48.70386 1270.26744
1085.0000 -53.96657 -51.07468 2.89189 2.39925 -50.83747 994.86083
1090.0000 -54.35130 -50.10451 4.24679 2.36748 -51.10177 1030.46780
1095.0000 -53.95508 -50.72419 3.23090 2.50152 -49.98653 1129.79906
1100.0000 -54.44691 -51.92915 2.51776 2.38809 -50.93028 1040.86349
1105.0000 -54.62048 -51.58743 3.03306 2.29524 -51.70287 969.37185
1110.0000 -54.72624 -51.45753 3.26870 2.28894 -51.75525 985.82834
1115.0000 -55.48727 -51.86157 3.62570 2.27624 -51.86093 913.60675
1120.0000 -54.21534 -51.04998 3.16536 2.38996 -50.91474 1078.81194
1125.0000 -54.03192 -51.06667 2.96525 2.37441 -51.04411 1088.26903
1130.0000 -54.14429 -50.51022 3.63407 2.36218 -51.14584 1032.05909
1135.0000 -54.40637 -51.90481 2.50156 2.40182 -50.81604 1074.50196
1140.0000 -54.99009 -51.66405 3.32604 2.28339 -51.80141 907.55941
1145.0000 -55.01100 -53.28823 1.72277 2.23731 -52.18480 910.11247
1150.0000 -53.63345 -50.17133 3.46212 2.31027 -51.57774 1024.18310
1155.0000 -55.09728 -50.99646 4.10081 2.41435 -50.71183 1071.40766
1160.0000 -55.33046 -52.31346 3.01700 2.34592 -51.28119 1036.52964
1165.0000 -54.60733 -52.41932 2.18801 2.21198 -52.39560 870.98508
1170.0000 -54.13717 -50.57253 3.56464 2.37365 -51.05041 1106.91558
1175.0000 -52.79165 -49.80803 2.98362 2.43760 -50.51838 1031.73216
1180.0000 -53.15753 -49.88446 3.27307 2.51332 -49.88832 1102.90101
1185.0000 -54.34111 -50.97347 3.36765 2.39183 -50.89918 995.59578
1190.0000 -54.65748 -51.41980 3.23768 2.33944 -51.33506 977.15530
1195.0000 -54.84391 -51.24556 3.59835 2.38668 -50.94201 1081.16362
1200.0000 -55.09408 -51.30399 3.79010 2.41446 -50.71085 1107.78865
1205.0000 -55.03640 -52.62659 2.40981 2.18073 -52.65558 884.78723
1210.0000 -55.37949 -52.77911 2.60038 2.16983 -52.74630 852.10530
1215.0000 -54.31815 -50.97286 3.34529 2.24410 -52.12834 922.36183
1220.0000 -54.05700 -49.05531 5.00170 2.49683 -50.02551 1176.73612
1225.0000 -53.22020 -49.03166 4.18853 2.59434 -49.21419 1307.32095
1230.0000 -53.76248 -50.68506 3.07742 2.48628 -50.11332 1134.80723
1235.0000 -53.95679 -50.66104 3.29575 2.45012 -50.41418 1145.59408
1240.0000 -54.02172 -50.40859 3.61313 2.46183 -50.31675 1071.30587
1245.0000 -54.64811 -50.90733 3.74078 2.49562 -50.03560 1109.39587
1250.0000 -54.45002 -51.37232 3.07770 2.34228 -51.31146 1033.21109
FREEZING PROCESS: loop number 6 T-loop= 1063.0000000000000
main_MD> interactions number 6 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86646 4.17363 2.12796
force_rgl> df(natom) 1.22728 -0.56468 1.74836
1255.0000 -53.49898 -50.86653 2.63244 2.40304 -50.80592 1024.71702
1260.0000 -54.42749 -50.80491 3.62258 2.43829 -50.51265 1041.49472
1265.0000 -52.85725 -50.20538 2.65187 2.42216 -50.64685 1070.89556
1270.0000 -53.85539 -50.64000 3.21539 2.43319 -50.55505 1168.98436
1275.0000 -53.89047 -49.80166 4.08881 2.47534 -50.20431 1074.94099
1280.0000 -54.74326 -51.38773 3.35553 2.40758 -50.76812 1126.09900
1285.0000 -53.59015 -51.15348 2.43667 2.30582 -51.61477 967.58064
1290.0000 -54.50438 -51.56572 2.93866 2.31260 -51.55839 899.74671
1295.0000 -53.58677 -49.83905 3.74772 2.36780 -51.09913 1009.02276
1300.0000 -54.54933 -50.00115 4.54819 2.57652 -49.36248 1203.36035
1305.0000 -54.44299 -51.79935 2.64364 2.42107 -50.65590 1089.70839
1310.0000 -54.59234 -51.19345 3.39889 2.31436 -51.54373 965.13077
1315.0000 -54.79442 -52.07426 2.72016 2.29218 -51.72828 972.87043
1320.0000 -53.61391 -50.09518 3.51873 2.41995 -50.66522 1032.80520
1325.0000 -54.51481 -51.75577 2.75904 2.37228 -51.06185 1000.35179
1330.0000 -54.64075 -50.61962 4.02113 2.39830 -50.84534 1024.98174
1335.0000 -53.94064 -49.39540 4.54525 2.44655 -50.44386 1111.73890
1340.0000 -53.19182 -49.00130 4.19053 2.46659 -50.27717 1111.14903
1345.0000 -53.76482 -50.16945 3.59538 2.51319 -49.88944 1119.97029
1350.0000 -52.77839 -49.58180 3.19659 2.51888 -49.84211 1104.39018
1355.0000 -54.00326 -50.49896 3.50430 2.50023 -49.99726 1136.47088
1360.0000 -54.07037 -51.11674 2.95363 2.36372 -51.13304 984.45186
1365.0000 -53.77132 -50.99882 2.77250 2.32403 -51.46328 932.60302
1370.0000 -54.38207 -51.06520 3.31688 2.40205 -50.81415 1002.95177
1375.0000 -54.81132 -50.43125 4.38007 2.43060 -50.57663 1109.24163
1380.0000 -53.49173 -50.86630 2.62543 2.39863 -50.84258 1017.33741
1385.0000 -54.32589 -51.26135 3.06455 2.49120 -50.07239 1190.13739
1390.0000 -54.64611 -52.24323 2.40288 2.31379 -51.54852 979.36626
1395.0000 -55.17840 -52.14792 3.03048 2.28186 -51.81419 969.83051
1400.0000 -53.43463 -50.58405 2.85058 2.39057 -50.90964 1057.63957
1405.0000 -54.15976 -51.80796 2.35180 2.44970 -50.41769 1073.04310
1410.0000 -54.19263 -50.29677 3.89586 2.37136 -51.06949 1002.35875
1415.0000 -55.24639 -51.64051 3.60588 2.38115 -50.98800 1060.91585
1420.0000 -54.51953 -51.51338 3.00615 2.32402 -51.46339 1002.90389
1425.0000 -54.06899 -51.31955 2.74944 2.36303 -51.13878 1082.39446
1430.0000 -54.24793 -50.92679 3.32114 2.33728 -51.35303 1009.73280
1435.0000 -53.98756 -51.41192 2.57564 2.38067 -50.99206 1021.26848
1440.0000 -55.08996 -51.83855 3.25141 2.36372 -51.13305 1044.28064
1445.0000 -54.52879 -51.07659 3.45220 2.36458 -51.12592 1021.08770
1450.0000 -54.49389 -51.57362 2.92027 2.33104 -51.40493 951.05804
1455.0000 -54.79563 -50.96205 3.83358 2.36390 -51.13155 1007.25848
1460.0000 -52.35047 -49.60034 2.75013 2.48700 -50.10735 1105.40734
1465.0000 -53.08932 -49.78749 3.30183 2.61885 -49.01032 1260.23709
1470.0000 -54.12222 -50.78618 3.33603 2.47840 -50.17887 1157.91802
1475.0000 -54.25967 -51.73006 2.52961 2.34121 -51.32034 1001.68288
1480.0000 -54.59069 -52.07072 2.51997 2.32059 -51.49190 1010.91681
1485.0000 -54.26267 -51.12612 3.13655 2.34085 -51.32336 982.80311
1490.0000 -53.07724 -49.35208 3.72516 2.43088 -50.57429 1050.80411
1495.0000 -53.75034 -49.80249 3.94785 2.51407 -49.88208 1088.42410
1500.0000 -53.27554 -50.09139 3.18415 2.51952 -49.83678 1167.78979
FREEZING PROCESS: loop number 7 T-loop= 1038.0000000000000
main_MD> interactions number 7 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55745 1.92716 -0.05298
force_rgl> df(natom) 0.56406 14.53647 5.44353
1505.0000 -52.56945 -49.68796 2.88149 2.48722 -50.10553 1094.68075
1510.0000 -54.30745 -52.27122 2.03623 2.45850 -50.34448 1126.33350
1515.0000 -54.38534 -51.08908 3.29626 2.27471 -51.87368 928.24031
1520.0000 -54.53530 -51.80884 2.72646 2.30384 -51.63125 983.69297
1525.0000 -54.10868 -51.71752 2.39115 2.27993 -51.83019 850.99346
1530.0000 -54.36849 -50.50378 3.86471 2.36515 -51.12117 1069.47442
1535.0000 -54.65296 -51.08199 3.57098 2.39456 -50.87645 1057.85497
1540.0000 -53.93154 -50.34553 3.58601 2.40998 -50.74812 1056.77980
1545.0000 -53.25552 -50.19003 3.06550 2.43806 -50.51455 1047.69255
1550.0000 -53.94836 -49.73154 4.21682 2.49482 -50.04223 1162.54575
1555.0000 -53.95084 -50.97729 2.97355 2.47572 -50.20121 1103.96097
1560.0000 -54.69691 -51.44199 3.25492 2.33369 -51.38292 1004.64902
1565.0000 -53.92988 -50.33800 3.59188 2.45878 -50.34213 1094.46405
1570.0000 -54.75476 -50.96415 3.79062 2.39206 -50.89726 1004.21578
1575.0000 -54.27892 -51.22387 3.05505 2.43750 -50.51915 1036.23523
1580.0000 -53.97058 -50.40373 3.56685 2.35374 -51.21610 1017.67049
1585.0000 -54.52033 -51.96366 2.55667 2.37274 -51.05797 1097.39592
1590.0000 -53.95954 -50.62794 3.33160 2.32841 -51.42688 990.03671
1595.0000 -53.09323 -50.31393 2.77930 2.46896 -50.25741 1096.20694
1600.0000 -53.83696 -50.30597 3.53098 2.48799 -50.09909 1104.80805
1605.0000 -53.11541 -49.93619 3.17922 2.57224 -49.39807 1184.60240
1610.0000 -52.90373 -50.15128 2.75245 2.51129 -49.90525 1124.41039
1615.0000 -54.19417 -50.90856 3.28561 2.48904 -50.09039 1162.68967
1620.0000 -54.07110 -51.10890 2.96219 2.35937 -51.16925 1015.58742
1625.0000 -54.11516 -51.11307 3.00209 2.32597 -51.44714 957.24344
1630.0000 -53.17955 -50.70015 2.47941 2.44391 -50.46587 1059.21470
1635.0000 -55.53787 -52.66792 2.86995 2.28971 -51.74882 988.94790
1640.0000 -54.29051 -50.80254 3.48797 2.30791 -51.59738 1076.28540
1645.0000 -53.60972 -51.11130 2.49841 2.28991 -51.74721 900.00126
1650.0000 -55.72524 -52.72398 3.00126 2.30942 -51.58485 932.88472
1655.0000 -55.03658 -52.10128 2.93530 2.22352 -52.29958 908.04521
1660.0000 -55.24547 -52.73446 2.51101 2.23316 -52.21933 923.43748
1665.0000 -54.83255 -51.34144 3.49111 2.31333 -51.55234 1005.27805
1670.0000 -52.64128 -49.54665 3.09464 2.47153 -50.23604 1098.33634
1675.0000 -52.73106 -49.06322 3.66785 2.55899 -49.50832 1164.74044
1680.0000 -53.09029 -50.01276 3.07754 2.50169 -49.98506 1049.78276
1685.0000 -53.67951 -49.87507 3.80443 2.43541 -50.53659 1075.90543
1690.0000 -54.38793 -50.72287 3.66506 2.47979 -50.16728 1113.73822
1695.0000 -53.83678 -50.77912 3.05766 2.31507 -51.53782 940.34019
1700.0000 -54.80958 -51.79630 3.01328 2.31133 -51.56894 957.83500
1705.0000 -54.83762 -51.04724 3.79038 2.28764 -51.76604 967.55772
1710.0000 -54.62712 -51.27926 3.34786 2.39364 -50.88415 1016.69359
1715.0000 -54.44761 -51.48483 2.96278 2.38331 -50.97005 1039.63825
1720.0000 -53.80714 -50.47286 3.33429 2.36099 -51.15575 1094.88480
1725.0000 -53.91261 -50.76686 3.14575 2.36674 -51.10797 999.23231
1730.0000 -55.04606 -51.57000 3.47607 2.40291 -50.80697 1043.02104
1735.0000 -55.29689 -52.23589 3.06100 2.22544 -52.28355 904.16526
1740.0000 -54.56673 -50.98618 3.58056 2.36257 -51.14262 1064.09225
1745.0000 -53.75110 -50.76533 2.98578 2.34821 -51.26210 1087.80241
1750.0000 -54.07496 -50.77025 3.30471 2.45436 -50.37889 1092.09294
FREEZING PROCESS: loop number 8 T-loop= 1013.0000000000000
main_MD> interactions number 8 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91946 1.01831 -0.08518
force_rgl> df(natom) 1.76917 0.11223 0.73742
1755.0000 -54.56031 -52.33630 2.22401 2.38833 -50.92831 1027.62579
1760.0000 -54.05008 -50.93063 3.11946 2.28875 -51.75681 944.20140
1765.0000 -53.79480 -50.34056 3.45424 2.40952 -50.75202 994.32839
1770.0000 -53.97499 -51.23303 2.74196 2.32429 -51.46110 965.63483
1775.0000 -54.97545 -51.91842 3.05703 2.33554 -51.36753 1025.26012
1780.0000 -54.43936 -51.86818 2.57118 2.26913 -51.92007 900.79611
1785.0000 -54.23441 -51.21127 3.02315 2.17813 -52.67724 764.51770
1790.0000 -54.40268 -51.44544 2.95724 2.34990 -51.24807 1036.87774
1795.0000 -54.19589 -51.17108 3.02480 2.27575 -51.86499 920.48063
1800.0000 -54.96327 -51.89707 3.06620 2.35370 -51.21644 1014.60702
1805.0000 -54.08326 -49.80157 4.28169 2.36479 -51.12415 957.09594
1810.0000 -53.74289 -50.62793 3.11496 2.48050 -50.16138 1098.80602
1815.0000 -54.21878 -51.47860 2.74018 2.37843 -51.01070 1050.19489
1820.0000 -53.51343 -50.94752 2.56591 2.36197 -51.14766 1008.56702
1825.0000 -55.08639 -51.28235 3.80404 2.40007 -50.83061 1054.35957
1830.0000 -54.99259 -52.74790 2.24469 2.27321 -51.88612 911.02521
1835.0000 -55.55926 -53.08062 2.47864 2.14472 -52.95523 828.86702
1840.0000 -55.24925 -52.26715 2.98210 2.18402 -52.62825 863.16050
1845.0000 -55.57789 -52.97592 2.60197 2.17528 -52.70091 881.66180
1850.0000 -54.14709 -51.60705 2.54004 2.24245 -52.14203 923.55008
1855.0000 -55.00565 -52.53754 2.46812 2.29274 -51.72363 987.43537
1860.0000 -54.13325 -50.55696 3.57629 2.31747 -51.51789 1003.43650
1865.0000 -53.51637 -50.11343 3.40294 2.38939 -50.91951 1003.09185
1870.0000 -54.48585 -51.53491 2.95094 2.37333 -51.05312 1002.23695
1875.0000 -53.64678 -50.65628 2.99049 2.42921 -50.58819 1059.23320
1880.0000 -54.25230 -51.59562 2.65667 2.34006 -51.32988 1042.86641
1885.0000 -53.42274 -50.29408 3.12866 2.42607 -50.61431 1052.55232
1890.0000 -54.60820 -50.10567 4.50253 2.49086 -50.07520 1134.24827
1895.0000 -53.90223 -50.69578 3.20644 2.44460 -50.46014 1066.35070
1900.0000 -55.36347 -51.61639 3.74708 2.34233 -51.31105 927.68465
1905.0000 -54.22582 -51.31412 2.91170 2.33529 -51.36961 1050.21799
1910.0000 -53.95722 -50.54930 3.40792 2.40297 -50.80649 1071.17445
1915.0000 -54.84329 -51.84327 3.00002 2.33005 -51.41323 1000.90538
1920.0000 -55.30848 -52.48172 2.82676 2.18499 -52.62012 857.91707
1925.0000 -54.46412 -51.06401 3.40011 2.27439 -51.87635 902.47633
1930.0000 -54.30230 -50.92326 3.37903 2.43980 -50.50003 1093.20270
1935.0000 -54.35200 -50.70670 3.64529 2.48282 -50.14209 1138.10234
1940.0000 -55.14931 -52.62957 2.51974 2.35274 -51.22442 1006.21689
1945.0000 -54.29981 -50.83988 3.45993 2.27286 -51.88904 915.39252
1950.0000 -54.60364 -51.27632 3.32731 2.44398 -50.46525 1110.99089
1955.0000 -54.73177 -51.30179 3.42998 2.38750 -50.93517 1025.77641
1960.0000 -53.93523 -51.12752 2.80771 2.40214 -50.81341 984.98940
1965.0000 -53.78655 -49.81591 3.97064 2.45494 -50.37409 1076.78326
1970.0000 -53.64694 -49.76555 3.88139 2.44688 -50.44111 1133.59807
1975.0000 -53.46002 -50.24771 3.21231 2.48088 -50.15823 1094.34597
1980.0000 -55.44515 -52.63205 2.81310 2.29198 -51.72998 979.18741
1985.0000 -54.37248 -51.62078 2.75171 2.27790 -51.84711 914.57650
1990.0000 -53.69159 -50.51723 3.17436 2.37502 -51.03906 1092.04202
1995.0000 -54.14011 -50.90741 3.23271 2.37688 -51.02354 994.56216
2000.0000 -54.80221 -51.30781 3.49440 2.35275 -51.22430 1019.17358
FREEZING PROCESS: loop number 9 T-loop= 988.00000000000000
main_MD> interactions number 9 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.07042 -0.06265 -1.58452
force_rgl> df(natom) 0.78919 -2.47031 -5.28737
2005.0000 -55.04012 -51.82757 3.21255 2.29770 -51.68240 972.01631
2010.0000 -53.76081 -50.95769 2.80312 2.29356 -51.71682 999.42559
2015.0000 -54.72493 -50.70202 4.02291 2.40044 -50.82754 1096.13315
2020.0000 -53.52974 -50.51558 3.01415 2.47191 -50.23292 1130.30609
2025.0000 -54.41697 -50.92868 3.48829 2.44358 -50.46863 1028.42350
2030.0000 -54.83356 -52.25240 2.58116 2.33046 -51.40980 963.76638
2035.0000 -55.56045 -52.90039 2.66007 2.17490 -52.70412 820.69061
2040.0000 -53.78283 -50.78353 2.99930 2.30530 -51.61915 1014.62340
2045.0000 -55.42106 -52.74761 2.67345 2.30879 -51.59011 978.59355
2050.0000 -53.46434 -51.04745 2.41689 2.28320 -51.80297 960.36103
2055.0000 -54.22676 -50.84933 3.37743 2.34133 -51.31935 986.03168
2060.0000 -55.04944 -51.48665 3.56278 2.29973 -51.66551 1056.13503
2065.0000 -54.63085 -51.75470 2.87615 2.28957 -51.75001 947.13702
2070.0000 -54.51461 -52.63772 1.87689 2.26582 -51.94759 941.48752
2075.0000 -55.04741 -51.76216 3.28524 2.23679 -52.18914 898.32557
2080.0000 -56.17241 -52.17663 3.99578 2.25691 -52.02173 960.96696
2085.0000 -54.34409 -50.87059 3.47349 2.29164 -51.73280 963.62711
2090.0000 -54.37105 -51.19083 3.18022 2.39807 -50.84721 1024.52899
2095.0000 -55.00670 -53.02813 1.97856 2.35117 -51.23750 1060.72901
2100.0000 -54.53060 -52.21547 2.31514 2.17103 -52.73626 846.75152
2105.0000 -54.81693 -50.54824 4.26869 2.34796 -51.26420 1017.64718
2110.0000 -53.76220 -50.44296 3.31924 2.45061 -50.41014 1116.37712
2115.0000 -54.40222 -52.11009 2.29213 2.32618 -51.44540 970.32646
2120.0000 -55.53282 -52.99190 2.54092 2.21317 -52.38570 922.48777
2125.0000 -54.73534 -51.92259 2.81276 2.21201 -52.39537 870.90759
2130.0000 -54.45038 -51.89767 2.55272 2.28736 -51.76844 938.31557
2135.0000 -54.75390 -52.40424 2.34966 2.27277 -51.88976 937.96735
2140.0000 -54.58717 -52.01748 2.56970 2.21630 -52.35960 866.02394
2145.0000 -54.71955 -52.20607 2.51348 2.28008 -51.82895 955.55314
2150.0000 -55.91096 -52.75798 3.15298 2.22967 -52.24837 904.88686
2155.0000 -55.23388 -52.28826 2.94562 2.18182 -52.64649 811.74830
2160.0000 -55.66964 -51.94978 3.71986 2.29848 -51.67584 987.70250
2165.0000 -54.77420 -51.32251 3.45169 2.35692 -51.18959 1047.97935
2170.0000 -54.64265 -51.15434 3.48831 2.32095 -51.48888 978.17199
2175.0000 -54.21270 -50.76201 3.45070 2.32769 -51.43288 934.04351
2180.0000 -54.26996 -51.13309 3.13687 2.38569 -50.95029 1045.16324
2185.0000 -55.37155 -53.02857 2.34298 2.23186 -52.23014 908.00805
2190.0000 -55.09775 -52.22274 2.87501 2.15647 -52.85741 773.92184
2195.0000 -54.82231 -52.36024 2.46207 2.24606 -52.11200 956.18722
2200.0000 -55.66657 -52.97592 2.69064 2.26166 -51.98222 914.10979
2205.0000 -54.21842 -51.40521 2.81321 2.28885 -51.75596 935.15829
2210.0000 -53.42388 -50.42827 2.99561 2.37245 -51.06041 1006.47750
2215.0000 -54.62489 -51.39375 3.23114 2.38088 -50.99027 1050.01097
2220.0000 -53.66114 -50.95991 2.70122 2.34618 -51.27901 1025.16296
2225.0000 -54.01061 -51.24552 2.76509 2.34609 -51.27971 1036.19026
2230.0000 -53.08395 -50.81221 2.27175 2.38512 -50.95497 1067.00744
2235.0000 -53.37095 -50.48393 2.88703 2.38681 -50.94094 1049.73203
2240.0000 -53.71082 -50.21780 3.49302 2.41446 -50.71085 1015.71990
2245.0000 -53.94989 -50.75861 3.19128 2.43258 -50.56016 1069.11505
2250.0000 -53.66230 -50.64303 3.01927 2.38644 -50.94406 1031.76785
FREEZING PROCESS: loop number 10 T-loop= 963.00000000000000
main_MD> interactions number 10 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.38167 0.96400 -0.81438
force_rgl> df(natom) -2.19078 -0.12710 0.54829
2255.0000 -53.15292 -50.20373 2.94919 2.45907 -50.33970 1108.77325
2260.0000 -53.55702 -50.56726 2.98976 2.44436 -50.46210 1102.76371
2265.0000 -53.56873 -51.42143 2.14730 2.35793 -51.18127 993.93244
2270.0000 -54.81158 -52.11232 2.69927 2.27561 -51.86614 911.41101
2275.0000 -54.42101 -51.39694 3.02407 2.28926 -51.75259 992.62475
2280.0000 -54.96996 -52.29052 2.67943 2.26025 -51.99393 923.53119
2285.0000 -55.33684 -52.55220 2.78465 2.18747 -52.59951 878.40081
2290.0000 -55.49329 -53.06957 2.42372 2.20111 -52.48603 908.08110
2295.0000 -53.66956 -50.59632 3.07324 2.25661 -52.02424 894.29303
2300.0000 -53.84750 -50.40994 3.43756 2.42467 -50.62591 1103.73765
2305.0000 -54.29018 -50.56817 3.72201 2.45367 -50.38463 1117.44670
2310.0000 -53.37780 -50.65357 2.72423 2.40285 -50.80746 997.11476
2315.0000 -53.95977 -51.27520 2.68457 2.35321 -51.22048 991.03934
2320.0000 -53.57328 -49.71597 3.85732 2.48527 -50.12171 1084.24762
2325.0000 -54.12991 -50.77754 3.35238 2.43132 -50.57062 1072.23583
2330.0000 -55.15006 -51.50805 3.64201 2.34574 -51.28267 1037.08152
2335.0000 -53.92302 -50.72245 3.20058 2.31758 -51.51696 983.33376
2340.0000 -55.34606 -52.38702 2.95904 2.29560 -51.69980 943.54675
2345.0000 -55.69982 -53.38882 2.31100 2.24417 -52.12778 950.83183
2350.0000 -55.95899 -53.06254 2.89645 2.08519 -53.45048 749.71133
2355.0000 -54.19953 -51.58433 2.61521 2.24881 -52.08911 926.43008
2360.0000 -53.82369 -50.45560 3.36809 2.35603 -51.19701 1008.84902
2365.0000 -55.54682 -52.38567 3.16116 2.33583 -51.36515 986.06032
2370.0000 -54.58296 -52.37318 2.20978 2.21161 -52.39863 880.89690
2375.0000 -54.06513 -51.56486 2.50027 2.22771 -52.26470 899.56418
2380.0000 -54.69856 -52.28601 2.41255 2.27315 -51.88667 913.37466
2385.0000 -54.65107 -51.49661 3.15446 2.24354 -52.13299 872.54358
2390.0000 -54.67744 -51.39107 3.28637 2.33714 -51.35423 1017.66140
2395.0000 -54.53095 -50.99875 3.53220 2.41894 -50.67362 1053.66338
2400.0000 -54.26858 -50.79875 3.46983 2.37273 -51.05810 1017.72022
2405.0000 -54.38833 -52.02396 2.36437 2.33427 -51.37810 946.12988
2410.0000 -56.03894 -53.34628 2.69267 2.17446 -52.70773 834.15275
2415.0000 -55.53622 -52.48264 3.05358 2.16003 -52.82782 810.81937
2420.0000 -54.67695 -51.91242 2.76454 2.16961 -52.74813 880.74344
2425.0000 -54.98131 -52.03203 2.94927 2.29851 -51.67567 916.07121
2430.0000 -54.86327 -52.17033 2.69294 2.26627 -51.94387 924.02653
2435.0000 -54.19091 -50.39549 3.79542 2.34537 -51.28574 982.83781
2440.0000 -54.55832 -51.63976 2.91856 2.37719 -51.02096 990.17589
2445.0000 -55.56450 -52.15915 3.40535 2.30049 -51.65914 964.20498
2450.0000 -53.92748 -50.37996 3.54752 2.35478 -51.20743 1028.22786
2455.0000 -53.24656 -51.11082 2.13574 2.41674 -50.69193 1083.37101
2460.0000 -53.91819 -51.30979 2.60841 2.33609 -51.36296 989.72781
2465.0000 -55.06214 -52.10160 2.96054 2.28530 -51.78554 954.23610
2470.0000 -54.49619 -50.90588 3.59031 2.28172 -51.81534 951.08846
2475.0000 -54.80519 -50.58361 4.22157 2.42449 -50.62744 1116.77053
2480.0000 -54.09504 -51.10603 2.98901 2.34941 -51.25210 1069.59447
2485.0000 -55.45148 -52.03062 3.42086 2.33522 -51.37017 971.26173
2490.0000 -54.32505 -50.75302 3.57203 2.30076 -51.65690 961.29591
2495.0000 -54.41114 -51.20986 3.20127 2.38708 -50.93872 1033.99621
2500.0000 -54.83306 -51.96148 2.87157 2.29718 -51.68670 1002.93837
FREEZING PROCESS: loop number 11 T-loop= 938.00000000000000
main_MD> interactions number 11 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72603 4.02401 -2.68758
force_rgl> df(natom) 0.67521 -1.24115 -2.19093
2505.0000 -55.34272 -52.81369 2.52903 2.20634 -52.44248 905.47083
2510.0000 -54.87251 -50.94441 3.92809 2.27268 -51.89052 932.63035
2515.0000 -54.60442 -51.91113 2.69329 2.32702 -51.43842 949.04935
2520.0000 -52.51263 -50.42474 2.08789 2.31598 -51.53028 941.13116
2525.0000 -54.46408 -51.66268 2.80141 2.32823 -51.42833 941.48058
2530.0000 -54.84020 -51.85994 2.98025 2.32372 -51.46585 1007.47603
2535.0000 -54.81999 -52.11354 2.70645 2.29159 -51.73319 947.91711
2540.0000 -55.17337 -52.00122 3.17215 2.20464 -52.45666 869.26223
2545.0000 -53.72778 -51.38676 2.34102 2.26149 -51.98364 945.99302
2550.0000 -54.56851 -51.91637 2.65214 2.27533 -51.86847 992.20020
2555.0000 -55.09350 -52.55192 2.54158 2.20303 -52.47006 898.36135
2560.0000 -55.18662 -52.57910 2.60751 2.20730 -52.43451 868.35007
2565.0000 -54.54878 -51.25577 3.29302 2.25496 -52.03800 878.59358
2570.0000 -55.00818 -51.39904 3.60914 2.31604 -51.52979 985.53399
2575.0000 -54.04008 -50.75553 3.28455 2.37525 -51.03711 1003.56127
2580.0000 -53.37167 -50.38264 2.98903 2.45368 -50.38453 1120.84598
2585.0000 -54.69291 -51.46902 3.22389 2.43213 -50.56383 1071.13594
2590.0000 -53.68341 -50.13572 3.54770 2.40902 -50.75611 1086.79242
2595.0000 -53.62104 -51.05702 2.56402 2.44041 -50.49501 994.75622
2600.0000 -54.52277 -51.58563 2.93714 2.35966 -51.16688 967.83278
2605.0000 -55.25819 -52.28544 2.97275 2.24475 -52.12290 900.63553
2610.0000 -55.44004 -53.38336 2.05668 2.14699 -52.93635 851.91077
2615.0000 -55.73631 -53.30014 2.43617 2.09539 -53.36562 768.63352
2620.0000 -54.21710 -51.50286 2.71424 2.22577 -52.28084 902.49884
2625.0000 -55.02082 -51.90486 3.11596 2.26951 -51.91696 915.19464
2630.0000 -55.46066 -52.98126 2.47940 2.21180 -52.39705 862.20950
2635.0000 -54.30692 -51.44713 2.85979 2.25523 -52.03573 861.10680
2640.0000 -54.89176 -52.00563 2.88613 2.28298 -51.80481 903.70219
2645.0000 -54.87465 -52.64823 2.22642 2.16327 -52.80085 791.55601
2650.0000 -55.82770 -53.80423 2.02346 2.11135 -53.23288 754.68303
2655.0000 -56.32861 -53.65230 2.67631 2.11261 -53.22240 780.97540
2660.0000 -55.64406 -52.43679 3.20727 2.17092 -52.73719 813.85988
2665.0000 -55.01648 -52.48343 2.53306 2.26688 -51.93880 935.62461
2670.0000 -55.54760 -52.91680 2.63080 2.19686 -52.52138 873.33433
2675.0000 -55.30206 -51.98775 3.31431 2.19080 -52.57179 834.34851
2680.0000 -54.81745 -52.20498 2.61247 2.22289 -52.30485 867.27158
2685.0000 -54.96662 -52.68810 2.27852 2.17710 -52.68579 818.05465
2690.0000 -55.04214 -52.17914 2.86300 2.23416 -52.21102 918.15887
2695.0000 -55.92219 -53.13105 2.79114 2.19631 -52.52596 871.91430
2700.0000 -54.75743 -52.00070 2.75673 2.20588 -52.44637 890.65944
2705.0000 -54.66264 -51.69864 2.96400 2.30859 -51.59179 918.25977
2710.0000 -54.56403 -51.11581 3.44822 2.32796 -51.43063 998.58657
2715.0000 -53.71193 -49.86389 3.84804 2.45547 -50.36963 1116.72908
2720.0000 -54.62693 -51.22637 3.40056 2.37193 -51.06476 1075.94179
2725.0000 -55.70521 -52.45634 3.24887 2.31224 -51.56137 1041.81593
2730.0000 -55.43044 -52.86964 2.56080 2.20940 -52.41704 884.42816
2735.0000 -55.18159 -52.06189 3.11970 2.21119 -52.40212 879.96545
2740.0000 -53.85930 -51.35648 2.50282 2.28731 -51.76881 959.00896
2745.0000 -54.02989 -51.82870 2.20119 2.26480 -51.95613 901.20993
2750.0000 -53.66324 -51.05180 2.61144 2.29189 -51.73067 901.93306
FREEZING PROCESS: loop number 12 T-loop= 913.00000000000000
main_MD> interactions number 12 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.07290 0.62250 0.49357
force_rgl> df(natom) 0.87882 0.63179 0.80268
2755.0000 -55.02453 -51.19006 3.83446 2.30982 -51.58152 968.43678
2760.0000 -54.71321 -52.54867 2.16454 2.34899 -51.25562 998.84861
2765.0000 -55.35480 -52.90267 2.45214 2.20991 -52.41278 796.76193
2770.0000 -54.74171 -51.82199 2.91972 2.23450 -52.20817 847.58433
2775.0000 -55.08887 -51.86236 3.22651 2.28831 -51.76048 917.59584
2780.0000 -55.88099 -52.66077 3.22022 2.22691 -52.27133 916.34726
2785.0000 -55.59965 -52.87983 2.71982 2.18138 -52.65015 847.29554
2790.0000 -55.08348 -52.08583 2.99765 2.19678 -52.52209 884.20539
2795.0000 -54.30572 -50.80438 3.50135 2.34754 -51.26766 978.50683
2800.0000 -54.75380 -51.63037 3.12342 2.30173 -51.64886 937.20929
2805.0000 -54.61824 -51.60961 3.00863 2.34709 -51.27140 980.59949
2810.0000 -54.82595 -52.35218 2.47377 2.20738 -52.43385 783.78746
2815.0000 -53.61909 -51.38700 2.23209 2.31607 -51.52951 920.54148
2820.0000 -55.51684 -51.04989 4.46696 2.38177 -50.98284 1054.19423
2825.0000 -53.49458 -50.65818 2.83640 2.40725 -50.77087 1090.98424
2830.0000 -54.21553 -51.20733 3.00820 2.41038 -50.74480 1055.36984
2835.0000 -55.30589 -52.33442 2.97147 2.31032 -51.57735 943.12758
2840.0000 -55.06362 -52.25577 2.80785 2.24438 -52.12599 918.88360
2845.0000 -54.63904 -52.08070 2.55834 2.23786 -52.18022 909.89376
2850.0000 -53.73589 -51.29606 2.43983 2.41106 -50.73915 1027.33939
2855.0000 -53.56606 -50.75616 2.80990 2.34245 -51.31004 1030.93279
2860.0000 -54.69459 -52.50194 2.19266 2.27808 -51.84562 962.02770
2865.0000 -54.15329 -50.70532 3.44797 2.26212 -51.97838 905.13745
2870.0000 -55.07915 -52.31195 2.76720 2.34951 -51.25132 1001.27496
2875.0000 -54.66516 -51.60004 3.06512 2.29191 -51.73055 920.46085
2880.0000 -53.44299 -50.80641 2.63658 2.36767 -51.10016 1032.06169
2885.0000 -53.21016 -50.24120 2.96896 2.44385 -50.46632 1048.81965
2890.0000 -54.43779 -51.80162 2.63618 2.38405 -50.96387 995.44012
2895.0000 -54.98443 -51.84222 3.14221 2.21986 -52.33001 859.94891
2900.0000 -55.05566 -52.74235 2.31331 2.21664 -52.35684 833.24257
2905.0000 -55.82266 -53.63998 2.18267 2.14259 -52.97292 749.53405
2910.0000 -54.94826 -52.65329 2.29497 2.10547 -53.28180 729.63495
2915.0000 -54.73832 -51.28264 3.45568 2.26288 -51.97209 887.92716
2920.0000 -54.24796 -51.55600 2.69196 2.33062 -51.40847 954.70680
2925.0000 -53.89716 -51.02895 2.86821 2.31420 -51.54507 995.98595
2930.0000 -53.78390 -50.80025 2.98366 2.36565 -51.11697 1029.95434
2935.0000 -54.22705 -52.01739 2.20966 2.41058 -50.74320 1047.22560
2940.0000 -54.48945 -51.73370 2.75575 2.34358 -51.30061 1011.46418
2945.0000 -54.60063 -52.56140 2.03923 2.21680 -52.35545 840.97104
2950.0000 -54.91907 -51.65302 3.26605 2.20036 -52.49230 833.57496
2955.0000 -54.26279 -50.61243 3.65037 2.38521 -50.95428 1076.29533
2960.0000 -55.04619 -51.53239 3.51380 2.33801 -51.34697 977.52544
2965.0000 -54.35737 -51.83215 2.52522 2.36433 -51.12802 1020.36341
2970.0000 -54.73923 -52.34048 2.39875 2.20706 -52.43655 841.49654
2975.0000 -54.76285 -51.26123 3.50161 2.26987 -51.91390 957.82492
2980.0000 -53.98883 -50.71938 3.26944 2.40904 -50.75598 1023.15804
2985.0000 -54.74899 -51.52655 3.22244 2.33151 -51.40109 1012.38792
2990.0000 -53.33958 -50.63147 2.70810 2.36305 -51.13859 982.28344
2995.0000 -55.41515 -51.86643 3.54872 2.33620 -51.36201 1009.94440
3000.0000 -54.31546 -51.97760 2.33785 2.34913 -51.25445 1013.20241
FREEZING PROCESS: loop number 13 T-loop= 888.00000000000000
main_MD> interactions number 13 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01392 -1.42461 2.85134
force_rgl> df(natom) -1.45551 0.28887 0.98459
3005.0000 -54.60306 -52.01650 2.58656 2.25852 -52.00838 985.99217
3010.0000 -55.60308 -52.65182 2.95126 2.24362 -52.13232 892.59879
3015.0000 -54.19521 -51.65098 2.54423 2.21187 -52.39647 871.52122
3020.0000 -55.56442 -52.95156 2.61286 2.23218 -52.22753 888.44885
3025.0000 -55.82497 -52.83316 2.99181 2.15161 -52.89789 785.54021
3030.0000 -55.69637 -53.38750 2.30887 2.09226 -53.39167 766.60656
3035.0000 -55.30275 -52.50567 2.79708 2.15767 -52.84750 805.30102
3040.0000 -54.38224 -51.40445 2.97779 2.26621 -51.94436 920.84155
3045.0000 -54.24513 -51.76555 2.47958 2.35005 -51.24683 956.53753
3050.0000 -54.46406 -51.80783 2.65624 2.34292 -51.30615 962.94651
3055.0000 -55.04036 -52.19231 2.84805 2.28024 -51.82760 997.74504
3060.0000 -55.73429 -53.14154 2.59275 2.11557 -53.19777 796.04549
3065.0000 -55.49085 -53.78274 1.70811 2.10044 -53.32360 793.54667
3070.0000 -55.76502 -54.03700 1.72802 2.06894 -53.58571 720.90658
3075.0000 -54.38361 -52.05032 2.33330 2.17918 -52.66846 877.67187
3080.0000 -55.30552 -52.24944 3.05608 2.19782 -52.51336 875.96032
3085.0000 -55.38977 -51.95606 3.43371 2.23489 -52.20500 930.83902
3090.0000 -54.53291 -50.90025 3.63266 2.33845 -51.34328 999.56662
3095.0000 -54.72038 -51.62043 3.09995 2.33763 -51.35015 956.12346
3100.0000 -55.79119 -52.48485 3.30634 2.21751 -52.34960 889.22087
3105.0000 -54.46721 -50.38343 4.08378 2.30574 -51.61544 964.09788
3110.0000 -54.79196 -51.06539 3.72657 2.44041 -50.49497 1077.65257
3115.0000 -53.82256 -50.78971 3.03285 2.36803 -51.09717 991.66299
3120.0000 -54.58387 -51.59644 2.98743 2.35815 -51.17937 1018.24261
3125.0000 -56.04383 -53.15218 2.89165 2.22239 -52.30901 892.32422
3130.0000 -55.45790 -52.82900 2.62890 2.17537 -52.70023 818.72626
3135.0000 -55.45258 -52.31843 3.13415 2.18902 -52.58660 842.12985
3140.0000 -55.14883 -52.63703 2.51180 2.19697 -52.52051 880.63422
3145.0000 -53.09833 -50.10753 2.99080 2.35703 -51.18868 973.08942
3150.0000 -54.14445 -51.46767 2.67678 2.42618 -50.61337 1105.24568
3155.0000 -54.90010 -52.07471 2.82539 2.29029 -51.74398 953.78935
3160.0000 -54.14480 -50.77128 3.37352 2.32884 -51.42328 996.33404
3165.0000 -54.89815 -52.66412 2.23402 2.30607 -51.61276 959.84934
3170.0000 -55.02701 -52.88158 2.14542 2.20846 -52.42491 877.36450
3175.0000 -55.50638 -52.30652 3.19987 2.16655 -52.77362 827.27726
3180.0000 -54.40552 -52.26350 2.14203 2.17134 -52.73370 845.90407
3185.0000 -55.01304 -51.51946 3.49359 2.28375 -51.79844 977.32701
3190.0000 -55.63808 -52.42711 3.21098 2.21319 -52.38554 915.15607
3195.0000 -54.81403 -52.62411 2.18992 2.18652 -52.60744 858.78894
3200.0000 -54.94780 -52.38418 2.56362 2.23288 -52.22166 927.69681
3205.0000 -55.33315 -52.82065 2.51250 2.15641 -52.85791 835.64907
3210.0000 -55.57497 -53.39227 2.18270 2.17470 -52.70576 841.78705
3215.0000 -55.95143 -53.77999 2.17144 2.07829 -53.50792 754.05259
3220.0000 -55.78300 -53.23267 2.55033 2.10565 -53.28025 769.52546
3225.0000 -55.02001 -52.75018 2.26984 2.13752 -53.01511 813.10720
3230.0000 -55.42058 -52.83118 2.58940 2.16127 -52.81749 810.52583
3235.0000 -55.05998 -52.41052 2.64946 2.15223 -52.89274 846.56465
3240.0000 -55.45758 -53.22396 2.23362 2.13627 -53.02555 785.62295
3245.0000 -55.30611 -51.97016 3.33595 2.21842 -52.34198 923.21784
3250.0000 -55.66646 -53.04444 2.62202 2.25065 -52.07385 931.06308
FREEZING PROCESS: loop number 14 T-loop= 863.00000000000000
main_MD> interactions number 14 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38063 0.58593 0.39783
force_rgl> df(natom) 1.63464 -2.74586 0.92825
3255.0000 -54.38702 -51.95477 2.43225 2.15448 -52.87398 828.48965
3260.0000 -55.07675 -52.07905 2.99770 2.21786 -52.34668 851.70329
3265.0000 -55.13499 -52.30044 2.83455 2.22391 -52.29636 900.23547
3270.0000 -55.81316 -52.48258 3.33058 2.21112 -52.40273 864.70242
3275.0000 -54.44042 -50.92189 3.51853 2.32965 -51.41652 1008.24013
3280.0000 -54.69396 -51.65131 3.04264 2.31701 -51.52170 1015.25372
3285.0000 -55.27107 -52.92546 2.34560 2.21190 -52.39628 845.50740
3290.0000 -54.74938 -52.57852 2.17086 2.14417 -52.95979 811.76787
3295.0000 -55.17310 -53.12039 2.05270 2.18097 -52.65356 909.55626
3300.0000 -54.60956 -51.93794 2.67162 2.21181 -52.39702 873.23173
3305.0000 -55.25313 -52.83788 2.41525 2.24614 -52.11140 917.82548
3310.0000 -54.27209 -52.27468 1.99740 2.15354 -52.88186 814.96767
3315.0000 -54.90128 -52.20135 2.69994 2.19874 -52.50572 824.56016
3320.0000 -55.26823 -52.83417 2.43407 2.18561 -52.61495 851.16855
3325.0000 -55.12277 -52.51461 2.60817 2.21645 -52.35835 858.94658
3330.0000 -55.07956 -52.22702 2.85255 2.19698 -52.52040 868.42819
3335.0000 -54.55444 -51.23027 3.32418 2.27606 -51.86241 914.18361
3340.0000 -55.21766 -52.82243 2.39524 2.26196 -51.97972 938.30577
3345.0000 -54.72444 -51.54283 3.18161 2.20779 -52.43046 864.63279
3350.0000 -55.43832 -52.54068 2.89764 2.26492 -51.95508 935.64949
3355.0000 -55.44222 -53.40836 2.03386 2.06386 -53.62797 755.55275
3360.0000 -55.98806 -54.01993 1.96812 2.06533 -53.61574 704.75432
3365.0000 -55.46911 -53.14879 2.32032 2.00857 -54.08802 681.58103
3370.0000 -55.73254 -53.41477 2.31777 2.07138 -53.56541 707.69419
3375.0000 -55.35675 -52.65706 2.69969 2.12781 -53.09588 756.45670
3380.0000 -54.76093 -52.92813 1.83279 2.18059 -52.65674 838.67636
3385.0000 -55.76735 -53.28875 2.47860 2.13618 -53.02623 810.17355
3390.0000 -55.81286 -52.55539 3.25747 2.14974 -52.91348 816.10084
3395.0000 -55.35950 -52.56490 2.79460 2.19237 -52.55873 888.44104
3400.0000 -54.60893 -52.23352 2.37542 2.21901 -52.33709 885.30409
3405.0000 -55.26849 -52.85872 2.40977 2.16299 -52.80323 824.10612
3410.0000 -55.25821 -53.41094 1.84727 2.12389 -53.12849 748.29382
3415.0000 -55.53552 -52.89757 2.63795 2.11603 -53.19395 718.87019
3420.0000 -56.30065 -53.47605 2.82460 2.10129 -53.31655 793.25470
3425.0000 -55.47239 -52.45468 3.01771 2.12638 -53.10782 766.65011
3430.0000 -56.06507 -53.56723 2.49784 2.12739 -53.09944 829.45379
3435.0000 -55.97757 -54.45749 1.52007 2.00308 -54.13371 652.81300
3440.0000 -55.42817 -53.14236 2.28581 2.03469 -53.87073 694.77328
3445.0000 -56.38237 -53.96641 2.41596 2.11382 -53.21228 779.49452
3450.0000 -55.43137 -53.38272 2.04865 2.06772 -53.59584 726.12727
3455.0000 -55.28196 -52.24856 3.03340 2.15425 -52.87592 842.49996
3460.0000 -55.09426 -52.48111 2.61315 2.24652 -52.10823 898.02263
3465.0000 -55.35561 -52.85330 2.50231 2.13288 -53.05376 785.34543
3470.0000 -55.63547 -52.59100 3.04448 2.14614 -52.94337 799.54816
3475.0000 -53.86518 -51.27248 2.59270 2.24430 -52.12669 899.61036
3480.0000 -55.48810 -52.88473 2.60337 2.30977 -51.58190 918.70602
3485.0000 -55.46105 -52.79227 2.66878 2.17000 -52.74488 826.11504
3490.0000 -54.54027 -51.28713 3.25314 2.26038 -51.99290 922.43473
3495.0000 -55.98973 -53.81298 2.17675 2.24551 -52.11662 909.86079
3500.0000 -55.58063 -53.06218 2.51845 2.09958 -53.33076 799.95002
FREEZING PROCESS: loop number 15 T-loop= 838.00000000000000
main_MD> interactions number 15 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25807 -1.60597 -2.62576
force_rgl> df(natom) 0.85010 -2.92533 -0.33570
3505.0000 -54.78781 -52.96702 1.82079 2.15241 -52.89124 842.72027
3510.0000 -55.34282 -52.61638 2.72644 2.20813 -52.42761 896.12039
3515.0000 -54.31197 -51.96567 2.34630 2.30522 -51.61983 992.17332
3520.0000 -55.95957 -53.55783 2.40174 2.13704 -53.01912 797.86648
3525.0000 -55.67180 -52.38652 3.28528 2.11647 -53.19027 762.80223
3530.0000 -55.44678 -52.34905 3.09773 2.26680 -51.93944 903.55999
3535.0000 -55.05926 -52.91819 2.14107 2.18708 -52.60273 864.98126
3540.0000 -55.54812 -53.33320 2.21492 2.12474 -53.12146 793.88191
3545.0000 -56.19662 -53.41724 2.77938 2.09194 -53.39433 746.12296
3550.0000 -54.88068 -52.13781 2.74287 2.18187 -52.64610 835.33447
3555.0000 -54.90548 -52.62424 2.28125 2.17382 -52.71305 780.94243
3560.0000 -55.05981 -52.36066 2.69915 2.18697 -52.60367 854.15615
3565.0000 -55.36645 -52.76393 2.60252 2.23663 -52.19051 852.17230
3570.0000 -55.11588 -52.12656 2.98932 2.17006 -52.74435 782.69868
3575.0000 -55.60916 -53.44672 2.16244 2.15488 -52.87067 817.71274
3580.0000 -56.02113 -53.68417 2.33696 2.05614 -53.69222 733.05592
3585.0000 -55.57596 -53.23084 2.34512 2.04231 -53.80733 716.28900
3590.0000 -56.26478 -53.58359 2.68119 2.10525 -53.28360 811.35745
3595.0000 -54.85998 -52.90982 1.95016 2.12907 -53.08541 796.67732
3600.0000 -55.65294 -53.59234 2.06060 2.12097 -53.15279 809.10384
3605.0000 -55.09982 -52.56124 2.53858 2.15353 -52.88190 815.54032
3610.0000 -55.68293 -53.02613 2.65680 2.18229 -52.64264 879.74453
3615.0000 -56.06331 -53.96012 2.10318 2.12030 -53.15836 794.15924
3620.0000 -55.56373 -52.67391 2.88981 2.12607 -53.11039 801.36522
3625.0000 -55.07891 -52.57429 2.50461 2.13257 -53.05626 844.67719
3630.0000 -55.66517 -53.82082 1.84435 2.13535 -53.03318 786.28865
3635.0000 -55.31533 -53.18454 2.13079 2.04272 -53.80392 723.79917
3640.0000 -55.56028 -52.85532 2.70496 2.14251 -52.97358 808.02964
3645.0000 -54.98178 -52.36465 2.61713 2.21151 -52.39948 869.30463
3650.0000 -55.69604 -52.63135 3.06469 2.18899 -52.58691 889.57555
3655.0000 -54.88743 -51.89442 2.99301 2.26099 -51.98778 926.24079
3660.0000 -55.20383 -52.31621 2.88762 2.20389 -52.46290 863.18845
3665.0000 -55.20387 -53.20644 1.99743 2.19526 -52.53467 869.01131
3670.0000 -55.67569 -53.74646 1.92923 2.04015 -53.82525 716.38648
3675.0000 -56.30164 -54.16968 2.13197 2.01531 -54.03196 694.44189
3680.0000 -55.77444 -53.87160 1.90284 2.01395 -54.04329 661.66362
3685.0000 -55.35159 -53.56929 1.78230 2.02925 -53.91595 676.03660
3690.0000 -55.94737 -53.81683 2.13054 2.03934 -53.83204 672.82765
3695.0000 -55.08089 -52.99301 2.08788 2.07896 -53.50239 712.72919
3700.0000 -54.84110 -52.22896 2.61214 2.16028 -52.82573 817.23831
3705.0000 -54.44769 -52.19361 2.25408 2.23890 -52.17161 940.37795
3710.0000 -54.73263 -52.22308 2.50955 2.22861 -52.25719 897.37692
3715.0000 -55.11462 -52.27711 2.83751 2.21048 -52.40805 865.59122
3720.0000 -55.85630 -51.68310 4.17320 2.22520 -52.28557 869.95258
3725.0000 -53.95739 -51.27130 2.68609 2.30278 -51.64013 959.74347
3730.0000 -54.64723 -51.82340 2.82383 2.33770 -51.34955 967.31576
3735.0000 -55.19816 -52.59280 2.60536 2.21162 -52.39860 878.70084
3740.0000 -55.83310 -53.11595 2.71715 2.16849 -52.75746 851.03921
3745.0000 -55.03681 -52.54126 2.49555 2.16157 -52.81500 834.98933
3750.0000 -54.62601 -52.45891 2.16710 2.24753 -52.09979 894.91175
FREEZING PROCESS: loop number 16 T-loop= 813.00000000000000
main_MD> interactions number 16 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38139 -3.72441 3.37316
force_rgl> df(natom) 2.68899 1.68029 -4.88158
3755.0000 -54.61392 -51.21985 3.39407 2.26919 -51.91956 913.99166
3760.0000 -54.23428 -51.60502 2.62926 2.32599 -51.44696 922.55326
3765.0000 -55.39421 -53.20171 2.19250 2.21574 -52.36427 884.42071
3770.0000 -54.00203 -51.83387 2.16816 2.21961 -52.33207 921.74084
3775.0000 -53.75312 -51.34810 2.40503 2.32356 -51.46724 942.07336
3780.0000 -55.14854 -52.47768 2.67086 2.25432 -52.04326 882.64458
3785.0000 -54.97876 -52.47027 2.50849 2.19315 -52.55229 862.29968
3790.0000 -55.98277 -53.59288 2.38989 2.13092 -53.07003 807.65268
3795.0000 -56.13812 -53.85637 2.28175 2.02795 -53.92677 707.70681
3800.0000 -55.63531 -52.85550 2.77980 2.08336 -53.46575 732.56379
3805.0000 -55.41817 -52.00805 3.41012 2.26304 -51.97075 922.83289
3810.0000 -55.08296 -52.78764 2.29532 2.18848 -52.59110 845.42974
3815.0000 -55.91479 -53.33996 2.57483 2.11664 -53.18882 769.50545
3820.0000 -55.52320 -52.51754 3.00566 2.14669 -52.93883 855.15320
3825.0000 -54.89951 -52.29422 2.60529 2.19426 -52.54306 865.40598
3830.0000 -55.88377 -52.55202 3.33175 2.18015 -52.66038 861.60825
3835.0000 -54.87647 -52.82575 2.05071 2.16000 -52.82804 826.73749
3840.0000 -55.72608 -52.97031 2.75577 2.16330 -52.80060 861.79423
3845.0000 -56.15457 -53.54460 2.60997 2.13207 -53.06044 775.35113
3850.0000 -56.23162 -53.49609 2.73553 2.05330 -53.71588 769.19236
3855.0000 -56.07390 -53.90157 2.17233 2.02366 -53.96251 698.98125
3860.0000 -55.73148 -52.93196 2.79952 2.08451 -53.45617 747.66902
3865.0000 -55.25987 -51.68688 3.57299 2.20493 -52.45422 847.15571
3870.0000 -54.93312 -52.10017 2.83295 2.23326 -52.21854 923.38283
3875.0000 -55.67236 -53.15009 2.52227 2.14004 -52.99417 802.47443
3880.0000 -55.94736 -52.87450 3.07286 2.14650 -52.94040 902.58679
3885.0000 -55.30145 -52.83212 2.46932 2.19292 -52.55414 868.86256
3890.0000 -54.98778 -52.68409 2.30370 2.16538 -52.78328 811.00806
3895.0000 -55.85710 -53.33158 2.52553 2.12710 -53.10181 790.92746
3900.0000 -55.83920 -53.21473 2.62447 2.09649 -53.35648 777.03250
3905.0000 -55.76401 -53.42438 2.33963 2.10262 -53.30552 773.78815
3910.0000 -55.69530 -53.41200 2.28330 2.12265 -53.13887 795.01521
3915.0000 -56.11549 -53.55725 2.55824 2.09119 -53.40062 747.51582
3920.0000 -55.94050 -52.78049 3.16001 2.11513 -53.20142 798.44890
3925.0000 -55.57275 -53.02032 2.55243 2.15149 -52.89886 819.55749
3930.0000 -55.45884 -52.91717 2.54167 2.13568 -53.03042 813.82822
3935.0000 -55.66646 -53.28347 2.38298 2.10407 -53.29347 765.96036
3940.0000 -55.28024 -53.16431 2.11593 2.10230 -53.30815 767.02348
3945.0000 -55.43145 -52.64741 2.78405 2.15845 -52.84095 790.35317
3950.0000 -55.73832 -53.10209 2.63622 2.12355 -53.13135 772.68184
3955.0000 -55.55585 -53.18841 2.36743 2.12797 -53.09454 777.22852
3960.0000 -55.33190 -52.80218 2.52972 2.08339 -53.46551 717.43248
3965.0000 -55.30517 -52.14347 3.16170 2.19888 -52.50455 859.61485
3970.0000 -56.12052 -53.26695 2.85358 2.18965 -52.58136 819.71024
3975.0000 -56.71234 -54.01669 2.69565 2.07644 -53.52329 760.80917
3980.0000 -55.35940 -52.33275 3.02666 2.11053 -53.23972 823.55606
3985.0000 -55.48339 -53.03677 2.44662 2.22862 -52.25716 916.79520
3990.0000 -55.15288 -52.82228 2.33061 2.16739 -52.76655 765.46846
3995.0000 -55.35250 -52.28991 3.06259 2.21474 -52.37260 923.97363
4000.0000 -55.30457 -52.64245 2.66211 2.20949 -52.41626 878.82400
FREEZING PROCESS: loop number 17 T-loop= 788.00000000000000
main_MD> interactions number 17 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01838 0.35134 -1.40104
force_rgl> df(natom) 3.68489 0.11963 -7.63201
4005.0000 -55.38944 -52.02052 3.36892 2.24428 -52.12686 845.39865
4010.0000 -55.43392 -53.22085 2.21307 2.19697 -52.52045 795.97510
4015.0000 -56.61612 -53.53420 3.08192 2.08745 -53.43168 759.36094
4020.0000 -55.49572 -53.43163 2.06409 2.15369 -52.88062 851.87525
4025.0000 -55.69545 -53.46084 2.23461 2.05445 -53.70628 709.13613
4030.0000 -55.44287 -53.58669 1.85618 2.06448 -53.62285 704.74715
4035.0000 -55.52678 -53.23674 2.29003 2.06722 -53.60007 705.07761
4040.0000 -56.17176 -53.72027 2.45150 2.02380 -53.96129 702.43607
4045.0000 -56.46398 -53.58160 2.88238 2.04908 -53.75098 756.11869
4050.0000 -54.79916 -52.13370 2.66546 2.17460 -52.70663 808.09045
4055.0000 -54.64488 -51.75450 2.89037 2.27708 -51.85395 961.86494
4060.0000 -55.54952 -53.25035 2.29918 2.19558 -52.53204 881.22178
4065.0000 -54.76418 -52.97636 1.78782 2.17179 -52.72998 830.83327
4070.0000 -55.19169 -52.21669 2.97501 2.18460 -52.62342 826.74480
4075.0000 -55.58874 -52.96938 2.61936 2.20077 -52.48886 848.04528
4080.0000 -55.25760 -52.91622 2.34138 2.17652 -52.69065 829.89434
4085.0000 -55.58733 -52.05481 3.53251 2.17432 -52.70890 831.93442
4090.0000 -55.79086 -52.94674 2.84412 2.20387 -52.46302 912.72466
4095.0000 -55.60769 -53.39527 2.21241 2.11265 -53.22203 825.76483
4100.0000 -55.42216 -53.21112 2.21104 2.11656 -53.18950 808.89977
4105.0000 -55.78020 -53.26555 2.51465 2.09153 -53.39781 759.36144
4110.0000 -56.12258 -53.51646 2.60612 2.13501 -53.03601 798.83614
4115.0000 -55.41022 -52.65203 2.75819 2.19514 -52.53570 928.63539
4120.0000 -55.70095 -53.48499 2.21597 2.11579 -53.19588 813.15223
4125.0000 -55.81137 -52.86945 2.94192 2.10466 -53.28853 760.54379
4130.0000 -55.85119 -53.30538 2.54581 2.11207 -53.22687 777.65137
4135.0000 -55.83230 -53.57436 2.25793 2.11728 -53.18355 811.28483
4140.0000 -56.02303 -53.55131 2.47172 2.05522 -53.69987 739.36520
4145.0000 -56.34741 -53.87663 2.47077 2.08680 -53.43715 779.76690
4150.0000 -55.93683 -53.80415 2.13268 2.09951 -53.33137 796.04655
4155.0000 -55.53955 -53.61721 1.92234 2.00159 -54.14612 669.03279
4160.0000 -56.54588 -54.54190 2.00398 1.95304 -54.55008 612.50307
4165.0000 -55.61335 -53.64860 1.96476 1.98670 -54.27003 654.53223
4170.0000 -55.02911 -52.87713 2.15198 2.10148 -53.31501 734.20194
4175.0000 -55.98569 -53.05666 2.92903 2.12975 -53.07974 774.54868
4180.0000 -56.08339 -53.77255 2.31084 2.08285 -53.46999 765.27707
4185.0000 -56.08871 -54.07517 2.01354 2.01991 -53.99365 695.71415
4190.0000 -55.58927 -53.68653 1.90274 2.00644 -54.10579 681.37044
4195.0000 -56.79506 -54.73755 2.05751 1.98318 -54.29924 661.13274
4200.0000 -55.80533 -53.27998 2.52535 1.97862 -54.33720 658.16510
4205.0000 -55.60770 -53.25300 2.35470 2.09002 -53.41032 737.84792
4210.0000 -56.65528 -54.27795 2.37733 2.03746 -53.84767 708.10236
4215.0000 -56.57123 -54.38046 2.19077 1.92831 -54.75579 590.31221
4220.0000 -55.51802 -53.15857 2.35945 2.04071 -53.82059 697.80659
4225.0000 -54.95758 -53.02090 1.93669 2.13015 -53.07643 799.53153
4230.0000 -55.41061 -53.16042 2.25019 2.06906 -53.58476 731.68097
4235.0000 -55.49603 -53.68283 1.81321 2.13251 -53.05682 813.21095
4240.0000 -56.41063 -53.61030 2.80033 2.04079 -53.81990 680.57298
4245.0000 -55.60781 -53.43966 2.16815 2.02357 -53.96318 633.57339
4250.0000 -56.19698 -53.81066 2.38631 2.05320 -53.71668 694.73987
FREEZING PROCESS: loop number 18 T-loop= 763.00000000000000
main_MD> interactions number 18 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.54019 -3.39414 -1.30276
force_rgl> df(natom) 2.74746 -0.02864 2.43494
4255.0000 -56.25378 -53.81316 2.44062 2.00870 -54.08694 699.96420
4260.0000 -55.83967 -53.40818 2.43149 2.03383 -53.87781 694.67708
4265.0000 -54.41736 -52.37859 2.03877 2.19529 -52.53448 878.99280
4270.0000 -54.89430 -52.34702 2.54727 2.21291 -52.38782 852.84391
4275.0000 -55.56604 -53.24353 2.32251 2.20560 -52.44864 886.31795
4280.0000 -55.02946 -52.88101 2.14845 2.09370 -53.37972 743.26458
4285.0000 -55.58128 -52.90070 2.68057 2.14788 -52.92889 846.60038
4290.0000 -55.05903 -52.89875 2.16028 2.11618 -53.19264 792.19141
4295.0000 -55.89929 -54.11949 1.77980 2.06626 -53.60800 698.72356
4300.0000 -55.87253 -54.14374 1.72879 2.02621 -53.94125 686.78561
4305.0000 -55.47684 -53.05644 2.42039 2.12443 -53.12402 795.68308
4310.0000 -56.11160 -52.72375 3.38785 2.17762 -52.68149 856.88747
4315.0000 -55.89356 -53.70545 2.18811 2.14625 -52.94248 800.25656
4320.0000 -55.46363 -52.98621 2.47741 2.13402 -53.04420 805.15966
4325.0000 -56.09186 -53.96810 2.12376 2.05090 -53.73580 718.06483
4330.0000 -55.60953 -53.14038 2.46915 2.05729 -53.68263 739.02605
4335.0000 -55.26033 -52.27735 2.98298 2.12361 -53.13084 785.03192
4340.0000 -54.34431 -51.30500 3.03931 2.23644 -52.19207 871.13252
4345.0000 -56.15856 -53.85001 2.30855 2.17160 -52.73160 799.61917
4350.0000 -56.00086 -53.98867 2.01219 2.03747 -53.84757 721.56815
4355.0000 -55.66131 -53.74769 1.91363 2.04363 -53.79627 681.29183
4360.0000 -56.16166 -53.79609 2.36556 2.02722 -53.93282 684.77203
4365.0000 -55.49857 -53.79846 1.70011 2.06342 -53.63164 704.64102
4370.0000 -55.19793 -52.73448 2.46345 2.08547 -53.44823 736.62175
4375.0000 -55.30550 -52.87241 2.43309 2.17902 -52.66982 832.02351
4380.0000 -55.62218 -53.09723 2.52495 2.11927 -53.16694 777.69490
4385.0000 -55.97613 -54.29164 1.68449 2.04018 -53.82502 708.26898
4390.0000 -55.00877 -52.86516 2.14360 2.06503 -53.61824 716.01967
4395.0000 -55.86354 -52.88389 2.97964 2.17865 -52.67291 791.75037
4400.0000 -55.03888 -52.97779 2.06110 2.15602 -52.86119 780.11243
4405.0000 -55.60998 -54.16030 1.44968 2.07595 -53.52739 738.29445
4410.0000 -56.32426 -54.64417 1.68009 1.98319 -54.29918 636.99687
4415.0000 -56.37901 -53.96182 2.41719 2.04316 -53.80026 722.28988
4420.0000 -55.00050 -52.87745 2.12305 2.09554 -53.36444 749.00603
4425.0000 -54.46199 -52.32725 2.13474 2.19890 -52.50437 766.41830
4430.0000 -54.22387 -51.51092 2.71296 2.28428 -51.79400 884.36571
4435.0000 -55.44194 -52.03711 3.40483 2.26927 -51.91891 890.21493
4440.0000 -54.81547 -52.29310 2.52236 2.20628 -52.44301 853.98513
4445.0000 -55.42719 -52.33004 3.09715 2.12281 -53.13748 812.59992
4450.0000 -55.55180 -53.37616 2.17564 2.12964 -53.08065 771.99784
4455.0000 -56.31078 -53.52066 2.79012 2.10643 -53.27376 780.67685
4460.0000 -55.57409 -53.37262 2.20147 2.06868 -53.58791 722.16912
4465.0000 -56.25093 -54.13790 2.11303 2.07055 -53.57236 698.89335
4470.0000 -55.91092 -54.13799 1.77294 2.00303 -54.13410 604.27137
4475.0000 -55.89233 -53.24703 2.64531 2.08457 -53.45567 710.40929
4480.0000 -55.97840 -53.14947 2.82894 2.12993 -53.07827 763.08569
4485.0000 -56.39532 -54.13495 2.26036 2.04927 -53.74936 685.62061
4490.0000 -56.53601 -54.59965 1.93636 1.99894 -54.16817 656.81852
4495.0000 -56.17560 -54.04533 2.13027 1.95355 -54.54580 574.95606
4500.0000 -56.54513 -53.99003 2.55509 2.08820 -53.42545 731.87192
FREEZING PROCESS: loop number 19 T-loop= 738.00000000000000
main_MD> interactions number 19 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35119 0.71033 0.48852
force_rgl> df(natom) -1.70601 1.27797 -0.74700
4505.0000 -55.77422 -53.32035 2.45387 2.02340 -53.96466 643.08522
4510.0000 -55.58867 -52.84818 2.74048 2.12851 -53.09009 798.53689
4515.0000 -55.49383 -53.02185 2.47197 2.14072 -52.98845 823.86980
4520.0000 -55.56892 -53.55042 2.01849 2.04264 -53.80452 705.69432
4525.0000 -55.23603 -53.62135 1.61468 2.07776 -53.51235 708.97148
4530.0000 -56.06479 -54.15414 1.91065 2.03184 -53.89438 708.03685
4535.0000 -55.70011 -53.39692 2.30320 2.08704 -53.43512 784.11802
4540.0000 -56.18710 -53.38872 2.79838 2.11937 -53.16612 771.54057
4545.0000 -56.21000 -53.47721 2.73279 2.13141 -53.06597 815.60170
4550.0000 -56.39305 -54.12454 2.26851 2.02182 -53.97774 722.07109
4555.0000 -55.93287 -53.89011 2.04276 2.02441 -53.95620 673.01185
4560.0000 -56.13416 -54.26034 1.87382 2.03987 -53.82763 684.06298
4565.0000 -55.73362 -53.30718 2.42644 2.02128 -53.98227 663.55474
4570.0000 -54.85684 -52.61069 2.24616 2.12242 -53.14076 747.04977
4575.0000 -55.72655 -53.01288 2.71367 2.12471 -53.12174 811.34271
4580.0000 -56.07019 -53.45169 2.61850 2.07747 -53.51477 738.08984
4585.0000 -56.13837 -53.78349 2.35489 2.06727 -53.59962 748.17318
4590.0000 -56.49373 -54.25507 2.23866 2.02928 -53.91568 712.64281
4595.0000 -56.49761 -54.86825 1.62935 1.95095 -54.56748 617.05839
4600.0000 -55.70134 -54.12176 1.57958 1.96589 -54.44316 573.25054
4605.0000 -55.31664 -53.17399 2.14265 2.02749 -53.93060 704.04040
4610.0000 -56.25312 -54.03018 2.22295 2.03592 -53.86049 685.97508
4615.0000 -56.14755 -54.14717 2.00037 2.00547 -54.11378 692.04800
4620.0000 -56.42366 -54.03022 2.39343 2.00397 -54.12630 663.67340
4625.0000 -56.09047 -53.91153 2.17894 2.05522 -53.69987 701.04974
4630.0000 -56.15729 -53.03499 3.12230 2.06607 -53.60957 732.84571
4635.0000 -55.62433 -53.27925 2.34508 2.10478 -53.28750 759.30621
4640.0000 -55.13955 -53.19470 1.94485 2.12322 -53.13408 810.19736
4645.0000 -56.04327 -53.53483 2.50844 2.08127 -53.48311 716.73642
4650.0000 -56.54107 -54.50084 2.04023 2.02836 -53.92337 689.23299
4655.0000 -56.00500 -53.63427 2.37073 2.01266 -54.05400 704.97961
4660.0000 -55.53644 -53.65345 1.88300 2.05036 -53.74031 703.28723
4665.0000 -55.43691 -53.20752 2.22939 2.14892 -52.92026 833.26143
4670.0000 -55.23741 -52.71791 2.51951 2.12096 -53.15289 810.71996
4675.0000 -55.75255 -53.80416 1.94838 2.05731 -53.68250 723.68621
4680.0000 -55.78352 -53.58571 2.19780 2.03385 -53.87771 670.07098
4685.0000 -56.26533 -53.75175 2.51359 2.05134 -53.73218 744.75127
4690.0000 -56.10541 -53.36366 2.74175 2.10808 -53.26008 797.13775
4695.0000 -55.49966 -52.92279 2.57687 2.06319 -53.63355 677.97588
4700.0000 -56.29149 -53.60372 2.68778 2.13102 -53.06923 803.49803
4705.0000 -55.83144 -53.75746 2.07398 2.09557 -53.36419 772.00879
4710.0000 -55.63226 -53.92532 1.70694 2.02508 -53.95064 682.39654
4715.0000 -55.57966 -52.84472 2.73493 2.10659 -53.27244 768.11102
4720.0000 -54.66643 -52.06991 2.59651 2.22095 -52.32095 841.07125
4725.0000 -55.84880 -52.96550 2.88330 2.20824 -52.42667 844.72185
4730.0000 -55.69101 -53.02821 2.66280 2.13755 -53.01488 780.44473
4735.0000 -55.47717 -53.04490 2.43227 2.14481 -52.95443 770.78217
4740.0000 -54.67750 -52.87486 1.80264 2.10470 -53.28818 771.39612
4745.0000 -56.47398 -54.28367 2.19031 2.07636 -53.52401 739.14900
4750.0000 -55.98079 -53.72185 2.25895 1.99090 -54.23501 661.43792
FREEZING PROCESS: loop number 20 T-loop= 713.00000000000000
main_MD> interactions number 20 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.37528 -4.87542 -3.56302
force_rgl> df(natom) -0.29614 -0.73149 -0.02217
4755.0000 -55.90631 -53.89727 2.00904 2.04933 -53.74890 731.56334
4760.0000 -56.34232 -54.37013 1.97219 2.04478 -53.78675 744.79286
4765.0000 -56.06805 -54.12231 1.94573 2.00443 -54.12245 655.11528
4770.0000 -55.83221 -53.87464 1.95757 2.01548 -54.03053 689.94763
4775.0000 -55.96376 -54.05359 1.91017 2.02396 -53.95999 655.69264
4780.0000 -56.20107 -53.78564 2.41543 1.98534 -54.28131 639.90862
4785.0000 -55.98425 -53.92511 2.05914 2.02033 -53.99016 663.77360
4790.0000 -55.66001 -53.85672 1.80329 2.04430 -53.79075 706.18269
4795.0000 -56.20999 -54.92397 1.28602 1.99956 -54.16296 677.94562
4800.0000 -56.00522 -53.59404 2.41119 2.03617 -53.85838 701.49492
4805.0000 -56.14067 -53.77521 2.36546 2.02243 -53.97274 671.81845
4810.0000 -56.04351 -53.74328 2.30023 2.04573 -53.77884 735.74366
4815.0000 -56.47335 -54.31012 2.16324 2.02043 -53.98931 658.11276
4820.0000 -56.17100 -53.96525 2.20575 1.99801 -54.17591 653.83349
4825.0000 -55.67786 -53.31990 2.35796 2.06531 -53.61593 652.26516
4830.0000 -55.90274 -53.52049 2.38225 2.08195 -53.47744 723.97153
4835.0000 -55.85810 -53.48607 2.37203 2.08121 -53.48362 778.04286
4840.0000 -55.87916 -54.10032 1.77885 2.05503 -53.70142 717.44255
4845.0000 -56.03807 -54.07152 1.96655 1.99791 -54.17674 687.96203
4850.0000 -56.15749 -53.80799 2.34951 1.99524 -54.19897 671.76067
4855.0000 -56.06332 -54.39406 1.66925 1.96505 -54.45013 636.39520
4860.0000 -56.25553 -53.51751 2.73802 2.05708 -53.68439 747.68378
4865.0000 -55.07241 -53.17019 1.90222 2.09206 -53.39334 791.28342
4870.0000 -55.68108 -53.64505 2.03602 2.12441 -53.12417 760.51881
4875.0000 -55.59045 -53.37687 2.21358 2.09508 -53.36827 753.59101
4880.0000 -56.28191 -54.17196 2.10995 2.07652 -53.52269 748.13775
4885.0000 -55.83196 -53.47658 2.35538 2.09585 -53.36180 759.16382
4890.0000 -55.79574 -53.88647 1.90927 2.03462 -53.87125 739.98635
4895.0000 -56.40107 -54.38532 2.01575 1.97154 -54.39614 644.40609
4900.0000 -56.04447 -53.52553 2.51894 2.04001 -53.82639 693.95737
4905.0000 -55.63082 -53.33192 2.29890 2.08389 -53.46130 748.36624
4910.0000 -55.79598 -54.06398 1.73200 2.03949 -53.83079 691.50676
4915.0000 -56.02844 -53.38017 2.64826 2.03513 -53.86701 619.52915
4920.0000 -56.09261 -53.27107 2.82154 2.08919 -53.41727 777.56010
4925.0000 -55.69135 -53.89181 1.79954 2.10773 -53.26297 756.25968
4930.0000 -56.56201 -54.23106 2.33096 2.02005 -53.99247 684.10357
4935.0000 -56.46960 -53.77512 2.69448 2.00647 -54.10554 686.89832
4940.0000 -55.72883 -53.69728 2.03156 2.06236 -53.64048 724.74598
4945.0000 -55.73767 -52.79936 2.93832 2.09799 -53.34404 745.68639
4950.0000 -55.72952 -53.76299 1.96654 2.10377 -53.29590 771.23501
4955.0000 -56.01286 -53.27206 2.74081 2.07104 -53.56822 781.04617
4960.0000 -56.00972 -54.09727 1.91245 2.07017 -53.57552 693.23631
4965.0000 -55.97212 -53.12805 2.84407 2.02082 -53.98610 662.20000
4970.0000 -56.32552 -53.48965 2.83586 2.04707 -53.76773 732.09653
4975.0000 -55.65395 -53.17409 2.47987 2.13465 -53.03896 798.16631
4980.0000 -56.00435 -53.65345 2.35090 2.06377 -53.62872 718.12804
4985.0000 -55.12007 -53.21299 1.90708 2.06366 -53.62970 726.12864
4990.0000 -56.33425 -53.32323 3.01103 2.13351 -53.04846 796.85794
4995.0000 -55.78049 -53.54310 2.23739 2.10224 -53.30870 785.37243
5000.0000 -56.11429 -53.53025 2.58404 2.06052 -53.65578 715.66742
FREEZING PROCESS: loop number 21 T-loop= 688.00000000000000
main_MD> interactions number 21 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75801 -1.76665 -2.78323
force_rgl> df(natom) 2.93911 -1.48616 1.42344
5005.0000 -56.40337 -54.28528 2.11809 2.10757 -53.26427 772.37471
5010.0000 -56.22147 -54.28972 1.93174 1.98240 -54.30574 690.81524
5015.0000 -56.81569 -54.61192 2.20377 1.93788 -54.67621 615.86266
5020.0000 -56.21045 -54.20531 2.00514 1.96943 -54.41366 604.58370
5025.0000 -55.64629 -53.26341 2.38288 2.10906 -53.25193 735.92949
5030.0000 -56.23053 -53.81678 2.41374 2.13008 -53.07699 762.36230
5035.0000 -56.77010 -54.98080 1.78930 2.00772 -54.09508 683.51328
5040.0000 -56.83218 -53.92201 2.91017 1.99605 -54.19219 676.19796
5045.0000 -55.52955 -53.50974 2.01981 2.07966 -53.49653 789.42605
5050.0000 -56.30332 -54.28038 2.02294 2.01653 -54.02182 687.28116
5055.0000 -55.79341 -53.71918 2.07423 2.01644 -54.02252 649.33771
5060.0000 -55.79116 -53.81696 1.97420 2.03622 -53.85799 651.98993
5065.0000 -56.11648 -54.20533 1.91114 2.03995 -53.82695 652.18720
5070.0000 -56.17527 -53.90553 2.26974 2.04198 -53.81002 661.34918
5075.0000 -56.22907 -53.84078 2.38830 2.11896 -53.16950 778.23056
5080.0000 -56.49902 -53.92805 2.57096 2.03549 -53.86405 670.30383
5085.0000 -55.80832 -53.24557 2.56275 2.08028 -53.49137 725.81410
5090.0000 -56.24948 -54.17235 2.07713 2.00368 -54.12868 692.20647
5095.0000 -56.31426 -54.05148 2.26278 1.98606 -54.27535 653.47687
5100.0000 -56.68788 -54.64588 2.04200 1.97421 -54.37390 623.37863
5105.0000 -55.89418 -53.86082 2.03336 1.98448 -54.28850 644.80756
5110.0000 -55.74270 -53.22758 2.51512 2.07206 -53.55979 714.73423
5115.0000 -55.95248 -53.83068 2.12180 2.06961 -53.58019 717.39753
5120.0000 -55.91930 -53.77256 2.14675 1.99075 -54.23632 660.37764
5125.0000 -56.22242 -53.86933 2.35309 2.01544 -54.03088 686.96824
5130.0000 -56.37091 -54.15917 2.21174 2.01448 -54.03882 684.50079
5135.0000 -56.62361 -53.91076 2.71285 1.97994 -54.32625 634.57217
5140.0000 -56.58543 -54.71511 1.87032 2.00422 -54.12424 669.92937
5145.0000 -56.68215 -54.28153 2.40062 1.97469 -54.36988 650.18924
5150.0000 -55.91754 -53.55513 2.36241 2.03522 -53.86626 717.32798
5155.0000 -56.76497 -54.97472 1.79025 2.01616 -54.02487 679.57495
5160.0000 -56.47771 -54.64029 1.83742 1.88448 -55.12048 548.85847
5165.0000 -56.57364 -54.72949 1.84415 1.93786 -54.67638 593.30235
5170.0000 -55.89736 -53.92206 1.97530 1.96716 -54.43256 632.77927
5175.0000 -55.93973 -53.49894 2.44079 2.06290 -53.63601 715.07862
5180.0000 -55.22177 -53.36720 1.85457 2.10041 -53.32388 782.89813
5185.0000 -54.97155 -52.98773 1.98383 2.15059 -52.90638 797.03368
5190.0000 -56.22515 -54.51018 1.71497 2.05388 -53.71106 722.24389
5195.0000 -56.77897 -54.76932 2.00965 1.91580 -54.85992 625.16639
5200.0000 -55.34920 -52.97904 2.37016 2.02585 -53.94424 709.26770
5205.0000 -55.60055 -53.53080 2.06976 2.13299 -53.05284 767.30066
5210.0000 -55.75606 -53.58983 2.16623 2.14759 -52.93136 779.46459
5215.0000 -55.67989 -53.14418 2.53570 2.07796 -53.51065 750.47669
5220.0000 -55.21094 -53.38172 1.82922 2.10443 -53.29044 755.06247
5225.0000 -56.48513 -54.11155 2.37358 2.04411 -53.79234 698.89278
5230.0000 -55.78151 -53.71273 2.06877 1.97785 -54.34359 682.79744
5235.0000 -55.20425 -53.38618 1.81807 2.14314 -52.96835 794.47230
5240.0000 -56.44413 -54.27163 2.17250 2.05735 -53.68214 698.00653
5245.0000 -56.04938 -53.70784 2.34155 2.01448 -54.03889 647.30086
5250.0000 -56.09218 -54.08717 2.00501 1.99057 -54.23776 638.42371
FREEZING PROCESS: loop number 22 T-loop= 663.00000000000000
main_MD> interactions number 22 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.99563 1.91993 0.79144
force_rgl> df(natom) -1.12880 -0.84301 -3.33700
5255.0000 -56.44379 -54.35742 2.08637 1.93146 -54.72964 576.62475
5260.0000 -56.16034 -54.07510 2.08525 2.00411 -54.12516 668.60056
5265.0000 -56.41707 -54.43821 1.97886 2.00054 -54.15482 667.57752
5270.0000 -56.42632 -54.98048 1.44584 1.91480 -54.86824 589.95464
5275.0000 -56.75744 -54.99991 1.75753 1.93136 -54.73042 595.05662
5280.0000 -56.34105 -54.12750 2.21356 1.95541 -54.53030 610.35793
5285.0000 -56.11237 -54.43581 1.67656 1.99414 -54.20807 647.95631
5290.0000 -56.34584 -54.52809 1.81774 1.98823 -54.25729 636.07433
5295.0000 -56.77540 -55.30468 1.47072 1.87941 -55.16267 523.01768
5300.0000 -57.16017 -55.39718 1.76299 1.89065 -55.06918 583.63058
5305.0000 -56.62699 -54.99851 1.62848 1.87079 -55.23443 524.83095
5310.0000 -55.70969 -54.11622 1.59347 1.93702 -54.68332 609.21675
5315.0000 -56.20140 -54.06783 2.13358 1.98462 -54.28732 641.36822
5320.0000 -56.09810 -53.75719 2.34091 1.98047 -54.32179 614.55075
5325.0000 -56.02680 -53.91334 2.11346 2.05074 -53.73713 721.67716
5330.0000 -56.49483 -54.41842 2.07640 1.98873 -54.25313 655.93883
5335.0000 -55.95986 -53.11512 2.84475 2.03522 -53.86631 695.80917
5340.0000 -56.30446 -54.08261 2.22186 2.12801 -53.09425 764.61310
5345.0000 -56.45503 -54.22975 2.22528 1.98834 -54.25631 666.19819
5350.0000 -56.49496 -54.49345 2.00151 1.93561 -54.69510 583.48264
5355.0000 -56.22260 -54.18603 2.03657 1.96684 -54.43521 659.36763
5360.0000 -56.38618 -54.78900 1.59718 1.93666 -54.68632 624.47221
5365.0000 -56.09131 -54.07985 2.01145 1.95606 -54.52494 614.31907
5370.0000 -56.88124 -54.79755 2.08369 1.97930 -54.33158 618.85454
5375.0000 -56.75500 -54.40152 2.35348 2.01491 -54.03527 694.88866
5380.0000 -55.87378 -53.72697 2.14681 1.98727 -54.26522 609.18906
5385.0000 -56.45556 -54.42922 2.02634 2.04163 -53.81299 711.72996
5390.0000 -56.06806 -53.84648 2.22158 2.02513 -53.95027 704.15983
5395.0000 -55.82123 -53.48745 2.33378 2.04722 -53.76644 711.82166
5400.0000 -56.06372 -53.95775 2.10597 2.10429 -53.29163 759.55491
5405.0000 -56.19474 -53.97037 2.22437 2.06167 -53.64619 757.19718
5410.0000 -55.86499 -53.25881 2.60618 2.09351 -53.38129 773.50399
5415.0000 -55.90840 -53.72659 2.18181 2.13832 -53.00842 762.76989
5420.0000 -56.40380 -53.63328 2.77052 2.08364 -53.46342 740.42924
5425.0000 -56.12067 -53.95549 2.16518 2.07395 -53.54408 752.35366
5430.0000 -56.68531 -54.36214 2.32316 2.06148 -53.64779 755.03537
5435.0000 -56.37995 -54.10603 2.27392 1.99563 -54.19568 668.86680
5440.0000 -56.03486 -53.88497 2.14990 2.01961 -53.99618 656.97896
5445.0000 -56.61585 -54.61733 1.99853 1.97295 -54.38436 681.11966
5450.0000 -55.56204 -53.61711 1.94492 2.00957 -54.07968 659.87792
5455.0000 -55.95178 -54.72365 1.22813 2.01064 -54.07078 697.29256
5460.0000 -56.82556 -54.58060 2.24496 1.97740 -54.34734 624.27017
5465.0000 -56.09657 -54.03085 2.06572 2.00439 -54.12282 676.34150
5470.0000 -56.13247 -54.13851 1.99396 1.95297 -54.55066 618.53871
5475.0000 -56.25280 -53.80605 2.44676 2.04167 -53.81259 723.20559
5480.0000 -56.24238 -54.11426 2.12812 1.96404 -54.45854 637.37122
5485.0000 -56.18723 -54.11446 2.07277 1.98508 -54.28344 657.93508
5490.0000 -56.43181 -54.16462 2.26719 1.98364 -54.29545 659.10905
5495.0000 -55.53850 -53.60290 1.93560 2.01147 -54.06393 693.19434
5500.0000 -55.95211 -53.99527 1.95684 2.04955 -53.74704 699.24085
FREEZING PROCESS: loop number 23 T-loop= 638.00000000000000
main_MD> interactions number 23 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96151 -3.52768 -0.91327
force_rgl> df(natom) -0.84567 -3.19483 -0.47347
5505.0000 -56.23276 -54.61740 1.61536 1.96475 -54.45266 606.00319
5510.0000 -56.41915 -54.83169 1.58746 1.91631 -54.85568 575.66984
5515.0000 -56.30559 -54.45476 1.85083 1.95787 -54.50987 591.25031
5520.0000 -56.24449 -54.35201 1.89248 1.98554 -54.27967 636.42594
5525.0000 -56.12869 -53.99180 2.13689 1.98339 -54.29749 637.14269
5530.0000 -56.53255 -53.93379 2.59876 2.01810 -54.00872 693.91851
5535.0000 -56.39404 -54.64357 1.75047 2.00264 -54.13738 683.86177
5540.0000 -57.09731 -55.88984 1.20747 1.86902 -55.24909 527.18320
5545.0000 -56.81564 -55.19160 1.62404 1.82337 -55.62894 479.96838
5550.0000 -56.37711 -54.33419 2.04293 1.91324 -54.88122 591.70415
5555.0000 -56.40361 -54.04010 2.36351 2.01045 -54.07241 646.77343
5560.0000 -55.80341 -53.82662 1.97679 2.01384 -54.04419 682.87433
5565.0000 -56.47107 -54.53312 1.93796 2.03486 -53.86929 688.80006
5570.0000 -56.28404 -54.16884 2.11521 2.00940 -54.08115 663.11365
5575.0000 -56.53850 -54.58940 1.94911 1.93211 -54.72424 583.30406
5580.0000 -56.47427 -54.73943 1.73484 1.97010 -54.40808 636.88168
5585.0000 -56.48080 -54.43758 2.04321 1.90208 -54.97407 551.02233
5590.0000 -56.04291 -54.21753 1.82538 2.03294 -53.88525 702.89213
5595.0000 -55.98002 -54.37228 1.60774 2.02275 -53.97004 682.91070
5600.0000 -56.51892 -54.95570 1.56322 1.90323 -54.96445 544.57431
5605.0000 -56.36617 -54.59204 1.77412 1.91469 -54.86911 556.46935
5610.0000 -56.23286 -54.55559 1.67727 1.97097 -54.40090 636.86105
5615.0000 -56.70433 -55.09677 1.60756 1.89810 -55.00715 560.44016
5620.0000 -55.55586 -53.91675 1.63912 2.00038 -54.15616 682.86219
5625.0000 -56.38649 -54.05558 2.33091 1.99608 -54.19191 676.67899
5630.0000 -56.25352 -54.44580 1.80772 1.96673 -54.43616 627.42292
5635.0000 -56.26363 -54.05387 2.20977 1.98873 -54.25312 681.59655
5640.0000 -56.45221 -54.34704 2.10516 1.96840 -54.42224 646.95918
5645.0000 -56.53131 -54.87237 1.65893 1.99116 -54.23288 673.36772
5650.0000 -56.42005 -54.35720 2.06284 1.93971 -54.66097 590.15853
5655.0000 -57.07056 -55.13182 1.93874 1.94309 -54.63280 605.97827
5660.0000 -55.97933 -54.24940 1.72993 1.92066 -54.81946 568.25294
5665.0000 -56.71584 -54.58825 2.12759 1.95021 -54.57360 624.86490
5670.0000 -56.80709 -54.79279 2.01430 1.92179 -54.81007 584.37317
5675.0000 -56.52411 -54.66744 1.85667 1.92101 -54.81652 586.96064
5680.0000 -55.89559 -53.28842 2.60718 2.00657 -54.10470 719.09284
5685.0000 -55.96069 -53.82407 2.13662 2.08238 -53.47393 741.84088
5690.0000 -55.84470 -53.94571 1.89899 2.01068 -54.07047 674.05679
5695.0000 -55.46564 -53.40068 2.06496 2.06024 -53.65814 706.85057
5700.0000 -55.12294 -52.41808 2.70486 2.17314 -52.71877 803.28101
5705.0000 -56.10814 -54.23048 1.87766 2.09451 -53.37295 741.46774
5710.0000 -56.26270 -53.96024 2.30246 2.01956 -53.99659 689.39471
5715.0000 -56.55140 -54.57716 1.97424 1.97770 -54.34491 657.01199
5720.0000 -55.96594 -53.98848 1.97747 1.99960 -54.16269 657.68165
5725.0000 -56.27785 -53.79611 2.48174 2.03225 -53.89096 677.55286
5730.0000 -55.52812 -53.80096 1.72716 2.03107 -53.90078 698.61709
5735.0000 -56.09968 -54.12571 1.97398 2.04102 -53.81800 668.27803
5740.0000 -56.31887 -53.97930 2.33957 1.98341 -54.29734 632.01250
5745.0000 -56.10394 -54.24489 1.85905 2.02901 -53.91797 707.98253
5750.0000 -56.91732 -54.54587 2.37145 1.97234 -54.38944 617.11191
FREEZING PROCESS: loop number 24 T-loop= 613.00000000000000
main_MD> interactions number 24 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98687 -0.24766 -3.29348
force_rgl> df(natom) 3.27652 1.17817 -5.00755
5755.0000 -55.94561 -53.96672 1.97890 1.95183 -54.56014 587.41622
5760.0000 -56.64026 -54.33406 2.30620 2.03575 -53.86187 705.90588
5765.0000 -56.83659 -55.66893 1.16766 1.92414 -54.79053 580.26409
5770.0000 -56.24778 -54.46830 1.77949 1.86154 -55.31137 528.75812
5775.0000 -55.70210 -53.66119 2.04091 2.00610 -54.10857 696.69350
5780.0000 -56.45508 -54.73157 1.72350 1.98735 -54.26457 646.94254
5785.0000 -57.13905 -55.38023 1.75882 1.89434 -55.03846 571.43423
5790.0000 -56.53860 -54.86285 1.67576 1.88407 -55.12391 558.49122
5795.0000 -56.24261 -54.31393 1.92868 1.98362 -54.29564 669.04073
5800.0000 -56.10226 -54.35628 1.74598 1.93215 -54.72387 607.59521
5805.0000 -56.66767 -54.43047 2.23720 1.93525 -54.69804 600.11289
5810.0000 -56.51113 -54.93618 1.57494 1.94617 -54.60722 618.08892
5815.0000 -57.07796 -55.15799 1.91997 1.92852 -54.75405 585.59579
5820.0000 -56.41862 -54.86665 1.55197 1.90238 -54.97159 542.59281
5825.0000 -56.90085 -55.09263 1.80822 1.90652 -54.93708 537.92193
5830.0000 -56.64882 -54.63622 2.01260 1.90831 -54.92222 579.33369
5835.0000 -56.72026 -54.65090 2.06937 1.94406 -54.62479 616.35964
5840.0000 -56.62088 -55.04859 1.57229 1.90617 -54.94005 602.73197
5845.0000 -56.73560 -54.84752 1.88808 1.99121 -54.23245 640.64578
5850.0000 -56.72782 -54.50778 2.22004 1.91130 -54.89730 569.86290
5855.0000 -56.47406 -54.53429 1.93977 1.97675 -54.35275 665.39454
5860.0000 -56.05495 -53.82413 2.23082 2.03021 -53.90800 703.60164
5865.0000 -56.35608 -54.27797 2.07811 2.01000 -54.07610 657.76902
5870.0000 -56.50057 -54.51833 1.98223 1.98304 -54.30044 625.38007
5875.0000 -56.89027 -54.95802 1.93225 1.93522 -54.69831 611.32350
5880.0000 -56.72098 -54.84472 1.87626 1.92052 -54.82067 569.84147
5885.0000 -56.70917 -54.71003 1.99914 1.87298 -55.21615 526.53240
5890.0000 -55.39025 -53.66070 1.72955 1.97995 -54.32614 639.97972
5895.0000 -56.79374 -54.18253 2.61120 2.00080 -54.15266 651.94303
5900.0000 -56.90014 -54.66296 2.23717 1.98161 -54.31238 640.19335
5905.0000 -56.92756 -54.85259 2.07497 1.93584 -54.69317 602.98759
5910.0000 -55.62149 -54.01521 1.60628 1.92114 -54.81547 579.41978
5915.0000 -56.00193 -54.47759 1.52434 1.98339 -54.29749 647.03836
5920.0000 -56.28767 -54.29786 1.98982 1.97708 -54.35006 648.25306
5925.0000 -57.13192 -55.65070 1.48122 1.88191 -55.14190 528.49617
5930.0000 -56.76424 -55.22273 1.54151 1.85371 -55.37651 524.60370
5935.0000 -56.67020 -54.99865 1.67155 1.88596 -55.10821 531.00538
5940.0000 -56.54413 -54.50363 2.04050 1.95719 -54.51553 603.81158
5945.0000 -56.72083 -55.28549 1.43534 1.90254 -54.97025 552.83921
5950.0000 -56.68554 -54.88157 1.80398 1.87258 -55.21954 527.02278
5955.0000 -57.59509 -55.32840 2.26669 1.86816 -55.25632 530.14711
5960.0000 -56.50651 -54.90759 1.59892 1.88697 -55.09975 539.78362
5965.0000 -56.03032 -54.24239 1.78793 1.95684 -54.51847 612.29618
5970.0000 -55.91983 -54.22833 1.69150 2.00019 -54.15771 648.79433
5975.0000 -56.98640 -55.31299 1.67341 1.93138 -54.73028 611.29454
5980.0000 -56.78342 -54.82203 1.96139 1.86749 -55.26182 536.54134
5985.0000 -56.12177 -54.48077 1.64099 1.96521 -54.44879 612.01628
5990.0000 -57.03344 -55.41770 1.61574 1.89466 -55.03578 561.69531
5995.0000 -56.63971 -55.18478 1.45492 1.84255 -55.46939 496.50851
6000.0000 -56.48349 -54.72106 1.76242 1.92488 -54.78436 603.46762
FREEZING PROCESS: loop number 25 T-loop= 588.00000000000000
main_MD> interactions number 25 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.42779 -2.46072 -3.25275
force_rgl> df(natom) -0.27916 2.73307 2.62020
6005.0000 -56.93942 -54.55682 2.38260 1.91413 -54.87382 587.24248
6010.0000 -56.03065 -54.44294 1.58772 1.95046 -54.57154 604.97385
6015.0000 -56.86863 -54.84452 2.02411 1.94325 -54.63150 596.72761
6020.0000 -57.07529 -55.32251 1.75278 1.88068 -55.15211 538.98364
6025.0000 -56.54263 -54.98525 1.55738 1.86790 -55.25844 525.81886
6030.0000 -56.19827 -54.50013 1.69814 1.91864 -54.83623 553.31028
6035.0000 -56.69591 -54.62221 2.07369 1.95447 -54.53811 593.82935
6040.0000 -56.43046 -54.76263 1.66783 1.93419 -54.70691 580.12078
6045.0000 -56.62298 -54.53021 2.09277 1.92278 -54.80180 615.42977
6050.0000 -56.17860 -54.48609 1.69251 1.95185 -54.55994 613.98218
6055.0000 -56.44366 -54.75331 1.69035 1.91622 -54.85640 576.93222
6060.0000 -56.58962 -54.42219 2.16743 1.93987 -54.65964 580.12532
6065.0000 -56.75841 -54.87766 1.88075 1.95213 -54.55764 638.14283
6070.0000 -56.84200 -55.29811 1.54388 1.88759 -55.09465 523.64500
6075.0000 -56.48637 -55.32433 1.16204 1.86319 -55.29762 530.98467
6080.0000 -56.71864 -54.83878 1.87987 1.88516 -55.11487 571.55733
6085.0000 -56.71752 -55.21036 1.50716 1.87585 -55.19231 525.08972
6090.0000 -56.67784 -55.02109 1.65676 1.89988 -54.99236 584.67917
6095.0000 -56.71791 -54.91801 1.79990 1.88290 -55.13360 535.08707
6100.0000 -56.71840 -54.82227 1.89613 1.94383 -54.62671 612.50865
6105.0000 -57.05600 -54.67334 2.38266 1.90241 -54.97131 549.15831
6110.0000 -56.77487 -54.57003 2.20484 1.91904 -54.83298 591.20600
6115.0000 -56.22065 -54.63854 1.58211 1.93853 -54.67078 617.70700
6120.0000 -56.70543 -54.40779 2.29765 1.94203 -54.64167 578.32183
6125.0000 -56.45812 -54.65146 1.80666 1.96627 -54.43999 627.82543
6130.0000 -56.80848 -54.84587 1.96262 1.94732 -54.59768 583.79487
6135.0000 -56.19884 -54.19301 2.00583 1.98038 -54.32257 649.17389
6140.0000 -56.22109 -53.87386 2.34724 2.00342 -54.13090 688.35655
6145.0000 -56.68742 -54.72081 1.96661 1.92280 -54.80165 572.67047
6150.0000 -56.06160 -53.97169 2.08990 1.96574 -54.44438 613.50444
6155.0000 -56.83450 -55.14796 1.68655 1.95323 -54.54850 621.54617
6160.0000 -56.62415 -54.77949 1.84466 1.87753 -55.17833 551.46719
6165.0000 -56.28338 -54.60046 1.68292 1.94201 -54.64183 604.84929
6170.0000 -56.26977 -54.60324 1.66653 1.94925 -54.58155 605.07123
6175.0000 -57.20404 -55.28025 1.92379 1.91275 -54.88528 587.19627
6180.0000 -56.41759 -54.12471 2.29288 1.90494 -54.95027 573.17706
6185.0000 -55.88841 -54.23095 1.65746 1.99690 -54.18509 644.98699
6190.0000 -56.52248 -55.06021 1.46226 1.93947 -54.66299 551.07766
6195.0000 -57.00442 -55.52916 1.47526 1.86397 -55.29113 527.85392
6200.0000 -56.98950 -55.47768 1.51183 1.84041 -55.48713 488.13358
6205.0000 -56.21842 -53.59390 2.62451 1.91790 -54.84244 603.25892
6210.0000 -56.62630 -54.31856 2.30774 2.03564 -53.86276 706.45632
6215.0000 -56.98308 -55.07199 1.91108 1.93694 -54.68400 608.02392
6220.0000 -56.51572 -54.62379 1.89193 1.90478 -54.95156 575.24961
6225.0000 -56.03401 -54.58730 1.44671 1.97888 -54.33502 653.17682
6230.0000 -56.00034 -54.11634 1.88400 1.94926 -54.58151 608.36156
6235.0000 -56.53936 -54.56839 1.97097 1.97499 -54.36746 626.66543
6240.0000 -56.20248 -54.79319 1.40928 1.94003 -54.65826 588.67054
6245.0000 -56.23350 -53.99110 2.24240 1.96950 -54.41313 627.91757
6250.0000 -55.46509 -53.74400 1.72109 2.01880 -54.00292 644.72483
FREEZING PROCESS: loop number 26 T-loop= 563.00000000000000
main_MD> interactions number 26 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.98224 -0.38028 -1.47496
force_rgl> df(natom) 1.81463 -0.36290 2.21767
6255.0000 -57.37401 -55.51872 1.85529 1.97896 -54.33435 615.27025
6260.0000 -56.95638 -55.18931 1.76707 1.86022 -55.32236 501.87235
6265.0000 -56.81572 -54.58024 2.23548 1.93112 -54.73243 599.59429
6270.0000 -56.33871 -54.48158 1.85713 1.98919 -54.24929 636.75625
6275.0000 -56.54153 -54.49525 2.04628 1.90151 -54.97882 512.18996
6280.0000 -56.56812 -54.89529 1.67283 1.92684 -54.76807 582.15216
6285.0000 -56.78857 -55.11613 1.67244 1.89215 -55.05667 536.28492
6290.0000 -56.99606 -55.06069 1.93537 1.89096 -55.06662 543.52181
6295.0000 -55.55166 -54.03127 1.52039 1.98358 -54.29598 617.92247
6300.0000 -56.53431 -54.68945 1.84486 1.96827 -54.42334 641.59701
6305.0000 -56.80901 -54.88601 1.92299 1.93396 -54.70879 609.79450
6310.0000 -56.56928 -55.01598 1.55331 1.90704 -54.93276 550.45845
6315.0000 -56.47086 -54.26993 2.20093 1.93286 -54.71792 577.27609
6320.0000 -56.93151 -55.23656 1.69495 1.88267 -55.13557 544.02291
6325.0000 -56.85279 -54.91246 1.94033 1.88946 -55.07905 552.00176
6330.0000 -56.74412 -55.06771 1.67641 1.84908 -55.41504 514.13187
6335.0000 -56.42916 -54.94760 1.48156 1.93468 -54.70280 606.84446
6340.0000 -56.66231 -55.24490 1.41741 1.89882 -55.00121 565.79290
6345.0000 -56.66084 -55.06640 1.59445 1.86731 -55.26336 529.48960
6350.0000 -56.48845 -54.60087 1.88758 1.92650 -54.77085 602.08232
6355.0000 -56.45990 -54.58904 1.87086 1.93744 -54.67981 593.43053
6360.0000 -56.00909 -54.43966 1.56943 1.94722 -54.59851 602.31054
6365.0000 -56.26074 -54.60995 1.65079 1.96490 -54.45133 628.33025
6370.0000 -55.91067 -53.85387 2.05681 2.00537 -54.11468 643.39506
6375.0000 -55.93690 -53.91660 2.02030 2.03019 -53.90810 726.62767
6380.0000 -56.95736 -55.53416 1.42319 1.97025 -54.40685 637.05321
6385.0000 -57.31992 -55.67776 1.64216 1.84739 -55.42906 521.13701
6390.0000 -56.32674 -54.87817 1.44856 1.88802 -55.09102 550.63647
6395.0000 -56.53349 -54.59629 1.93720 1.93807 -54.67458 616.21149
6400.0000 -56.36197 -54.52692 1.83505 1.95742 -54.51363 612.42970
6405.0000 -56.85794 -54.82855 2.02939 1.93230 -54.72260 571.55726
6410.0000 -56.77891 -55.34723 1.43168 1.88163 -55.14419 520.55048
6415.0000 -56.25138 -54.98433 1.26705 1.89371 -55.04372 545.12738
6420.0000 -56.70641 -54.65316 2.05325 1.94525 -54.61484 609.46797
6425.0000 -56.45661 -54.47773 1.97888 1.94801 -54.59191 607.58294
6430.0000 -56.78583 -54.67445 2.11138 1.92779 -54.76011 575.69803
6435.0000 -56.55645 -55.09838 1.45807 1.90592 -54.94211 586.11251
6440.0000 -56.97930 -54.95622 2.02309 1.91276 -54.88523 567.02256
6445.0000 -55.99249 -54.35732 1.63517 1.92750 -54.76255 582.50433
6450.0000 -55.96787 -53.93877 2.02910 1.98648 -54.27180 658.44423
6455.0000 -56.20232 -54.72659 1.47573 2.00231 -54.14007 669.41589
6460.0000 -56.73520 -54.44562 2.28958 1.93621 -54.69007 603.86724
6465.0000 -56.62896 -55.23509 1.39388 1.89919 -54.99812 556.24040
6470.0000 -57.20219 -55.72990 1.47229 1.86841 -55.25422 526.25621
6475.0000 -57.10016 -55.33248 1.76768 1.83306 -55.54832 480.07204
6480.0000 -56.72403 -55.33498 1.38905 1.83045 -55.57003 487.57197
6485.0000 -56.81015 -54.68839 2.12176 1.89582 -55.02617 574.29511
6490.0000 -56.46787 -54.53761 1.93025 1.97317 -54.38258 613.40261
6495.0000 -56.42034 -54.40342 2.01692 1.95468 -54.53639 582.83412
6500.0000 -57.05853 -55.07427 1.98426 1.91251 -54.88724 589.73416
FREEZING PROCESS: loop number 27 T-loop= 538.00000000000000
main_MD> interactions number 27 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27579 -0.18666 2.04351
force_rgl> df(natom) -0.22171 1.04556 0.05220
6505.0000 -56.70137 -55.69602 1.00535 1.86178 -55.30937 527.99593
6510.0000 -56.98805 -55.52535 1.46270 1.83617 -55.52245 485.93242
6515.0000 -57.37123 -55.83617 1.53507 1.80422 -55.78831 443.19375
6520.0000 -57.22261 -55.83683 1.38578 1.79263 -55.88470 439.83908
6525.0000 -56.41366 -54.81141 1.60225 1.86135 -55.31291 526.48023
6530.0000 -56.50789 -55.43467 1.07323 1.87929 -55.16364 555.99453
6535.0000 -56.76925 -55.53938 1.22987 1.82815 -55.58916 465.32996
6540.0000 -56.98983 -54.99444 1.99538 1.89379 -55.04302 571.00347
6545.0000 -56.56750 -55.33889 1.22861 1.88336 -55.12985 535.42493
6550.0000 -57.07242 -55.16038 1.91204 1.87294 -55.21654 525.07400
6555.0000 -57.11545 -55.57908 1.53637 1.86712 -55.26495 552.42538
6560.0000 -56.89521 -55.25821 1.63700 1.84459 -55.45243 498.62250
6565.0000 -57.39362 -55.79411 1.59951 1.82632 -55.60444 475.75279
6570.0000 -57.06764 -55.55212 1.51552 1.78563 -55.94292 415.61405
6575.0000 -56.62691 -54.79916 1.82775 1.88127 -55.14717 538.20147
6580.0000 -56.39955 -54.92286 1.47670 1.93541 -54.69674 602.19909
6585.0000 -56.87848 -55.57883 1.29966 1.87268 -55.21872 511.59966
6590.0000 -56.56362 -55.19256 1.37105 1.88427 -55.12222 525.69070
6595.0000 -57.14729 -55.43623 1.71106 1.85772 -55.34313 496.86952
6600.0000 -56.27022 -54.17337 2.09684 1.89894 -55.00016 543.62839
6605.0000 -56.47622 -54.68974 1.78648 1.96048 -54.48818 625.20261
6610.0000 -56.74096 -55.45597 1.28499 1.88267 -55.13557 491.24226
6615.0000 -56.78769 -55.38356 1.40413 1.84548 -55.44501 476.95880
6620.0000 -57.14635 -55.65579 1.49056 1.87798 -55.17459 545.25761
6625.0000 -57.25559 -55.69224 1.56335 1.85998 -55.32434 546.19953
6630.0000 -56.63691 -55.21810 1.41880 1.83068 -55.56812 501.78642
6635.0000 -57.28590 -55.45393 1.83197 1.86724 -55.26393 559.61114
6640.0000 -56.66036 -54.20171 2.45865 1.87882 -55.16761 560.01729
6645.0000 -56.81684 -55.07033 1.74651 1.94981 -54.57690 625.24199
6650.0000 -56.98448 -55.24830 1.73618 1.85145 -55.39531 511.81532
6655.0000 -57.04787 -55.82730 1.22057 1.81098 -55.73203 454.95534
6660.0000 -57.23355 -55.96639 1.26716 1.78012 -55.98882 407.63354
6665.0000 -57.00227 -55.17675 1.82552 1.86213 -55.30645 515.15146
6670.0000 -57.06145 -55.68118 1.38027 1.82346 -55.62816 477.93613
6675.0000 -56.84343 -55.16915 1.67428 1.83824 -55.50519 491.69618
6680.0000 -56.24801 -54.40543 1.84257 1.97773 -54.34465 648.63684
6685.0000 -56.50569 -54.76506 1.74063 1.93931 -54.66427 598.63353
6690.0000 -56.59024 -54.40144 2.18880 1.94794 -54.59248 616.33414
6695.0000 -56.87271 -55.42258 1.45013 1.91543 -54.86297 586.64084
6700.0000 -56.62196 -54.99930 1.62266 1.87452 -55.20338 506.06117
6705.0000 -56.76875 -54.99343 1.77533 1.92103 -54.81643 589.80654
6710.0000 -57.17029 -55.85679 1.31349 1.82739 -55.59547 468.61594
6715.0000 -56.79046 -55.33244 1.45803 1.80022 -55.82159 444.44135
6720.0000 -57.08393 -55.55150 1.53243 1.83649 -55.51982 503.72966
6725.0000 -56.29158 -54.86348 1.42810 1.87316 -55.21465 500.10540
6730.0000 -57.05302 -55.57062 1.48239 1.86602 -55.27409 525.35070
6735.0000 -57.00343 -55.74902 1.25441 1.84061 -55.48552 477.53882
6740.0000 -57.36377 -56.07679 1.28698 1.84700 -55.43231 490.37241
6745.0000 -57.03336 -55.43233 1.60102 1.81621 -55.68853 463.26801
6750.0000 -57.24590 -55.52852 1.71738 1.84495 -55.44939 513.73819
FREEZING PROCESS: loop number 28 T-loop= 513.00000000000000
main_MD> interactions number 28 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.82678 -1.58004 -4.10934
force_rgl> df(natom) -2.00653 5.14575 0.91098
6755.0000 -57.13237 -55.46986 1.66252 1.87439 -55.20447 534.10373
6760.0000 -56.42698 -54.71542 1.71157 1.86856 -55.25294 521.81641
6765.0000 -56.68904 -54.70353 1.98551 1.92651 -54.77080 577.62078
6770.0000 -56.91471 -55.42221 1.49249 1.89226 -55.05573 542.33051
6775.0000 -57.12474 -55.48458 1.64016 1.85998 -55.32431 503.72548
6780.0000 -57.15001 -55.79493 1.35508 1.81857 -55.66888 451.83860
6785.0000 -56.81249 -54.82362 1.98887 1.87201 -55.22422 536.26352
6790.0000 -56.74023 -55.11862 1.62161 1.92401 -54.79160 581.36965
6795.0000 -56.59815 -54.59216 2.00599 1.94556 -54.61227 593.04301
6800.0000 -56.66541 -54.99971 1.66570 1.94750 -54.59615 610.78625
6805.0000 -56.81285 -55.41019 1.40267 1.89594 -55.02514 531.47092
6810.0000 -57.14626 -55.79698 1.34928 1.81698 -55.68212 450.50425
6815.0000 -56.90181 -55.61253 1.28928 1.80710 -55.76429 451.88870
6820.0000 -57.15460 -55.88535 1.26925 1.81453 -55.70253 460.04350
6825.0000 -56.62414 -55.23708 1.38706 1.82828 -55.58811 488.35899
6830.0000 -57.02051 -55.61802 1.40249 1.85941 -55.32912 485.30785
6835.0000 -56.80185 -55.39031 1.41154 1.84628 -55.43835 484.11740
6840.0000 -57.00432 -55.63224 1.37208 1.84142 -55.47880 475.93923
6845.0000 -56.34684 -54.95779 1.38905 1.86147 -55.31193 506.65774
6850.0000 -56.90171 -55.35250 1.54921 1.88903 -55.08266 554.74937
6855.0000 -56.50694 -55.10843 1.39850 1.88191 -55.14185 507.81959
6860.0000 -56.59055 -55.10374 1.48681 1.91453 -54.87043 548.32842
6865.0000 -57.00822 -55.47043 1.53779 1.86605 -55.27383 525.83056
6870.0000 -56.87383 -55.34106 1.53277 1.84592 -55.44132 472.93064
6875.0000 -56.76357 -55.22857 1.53500 1.88524 -55.11421 563.00948
6880.0000 -56.41567 -54.86939 1.54628 1.91284 -54.88450 558.66164
6885.0000 -56.78487 -55.13352 1.65135 1.91804 -54.84130 573.61951
6890.0000 -56.58981 -55.01981 1.57001 1.90520 -54.94807 542.86684
6895.0000 -56.73572 -54.86647 1.86925 1.89850 -55.00384 541.39271
6900.0000 -56.41484 -55.16875 1.24610 1.88324 -55.13083 548.57004
6905.0000 -57.24134 -55.96623 1.27511 1.84729 -55.42992 492.26749
6910.0000 -57.14785 -55.06440 2.08345 1.81698 -55.68213 469.56738
6915.0000 -57.23330 -55.51243 1.72087 1.87272 -55.21830 518.74522
6920.0000 -56.71682 -54.89346 1.82336 1.87217 -55.22294 539.41732
6925.0000 -56.63269 -54.84293 1.78976 1.94079 -54.65194 567.06838
6930.0000 -57.09838 -55.50118 1.59720 1.89393 -55.04184 533.99341
6935.0000 -56.98720 -55.08599 1.90121 1.84384 -55.45859 473.07308
6940.0000 -56.58898 -54.91299 1.67599 1.90576 -54.94340 556.89369
6945.0000 -57.24499 -55.23962 2.00537 1.89219 -55.05636 535.19788
6950.0000 -57.33680 -54.75577 2.58103 1.88376 -55.12649 541.63884
6955.0000 -57.27655 -55.47823 1.79831 1.88395 -55.12491 531.30441
6960.0000 -56.84361 -55.22752 1.61609 1.87559 -55.19448 537.23858
6965.0000 -56.82493 -55.53225 1.29267 1.81871 -55.66776 455.62198
6970.0000 -56.98438 -55.40933 1.57505 1.83874 -55.50104 501.00183
6975.0000 -57.00353 -55.13073 1.87280 1.83944 -55.49523 500.39283
6980.0000 -57.08514 -55.70408 1.38107 1.83276 -55.55084 493.95868
6985.0000 -56.92481 -55.24502 1.67980 1.85149 -55.39502 510.74579
6990.0000 -57.32454 -55.75210 1.57244 1.83164 -55.56011 489.63932
6995.0000 -57.11447 -55.80141 1.31306 1.81224 -55.72152 454.43919
7000.0000 -57.19643 -55.81990 1.37653 1.81397 -55.70717 466.99584
FREEZING PROCESS: loop number 29 T-loop= 488.00000000000000
main_MD> interactions number 29 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70505 -1.69316 1.68699
force_rgl> df(natom) -0.91145 -0.43556 0.60028
7005.0000 -57.00509 -55.84077 1.16432 1.80223 -55.80481 462.30229
7010.0000 -57.27776 -56.07424 1.20352 1.80296 -55.79877 464.58770
7015.0000 -57.43630 -56.36699 1.06931 1.74699 -56.26448 399.05481
7020.0000 -57.31837 -56.06608 1.25229 1.76821 -56.08791 426.79481
7025.0000 -56.97606 -55.84069 1.13538 1.77940 -55.99483 419.14287
7030.0000 -56.16412 -54.77921 1.38490 1.86430 -55.28842 509.43184
7035.0000 -56.52614 -54.94220 1.58394 1.89189 -55.05886 543.50709
7040.0000 -57.11084 -55.19463 1.91621 1.91180 -54.89316 552.48430
7045.0000 -56.65256 -54.87454 1.77802 1.89631 -55.02205 554.96971
7050.0000 -56.70044 -54.94376 1.75668 1.88477 -55.11805 541.44024
7055.0000 -56.73117 -55.25885 1.47232 1.86159 -55.31098 538.56105
7060.0000 -56.49126 -54.79485 1.69640 1.86668 -55.26857 504.21377
7065.0000 -56.77750 -55.41296 1.36453 1.89079 -55.06800 542.38992
7070.0000 -56.87587 -55.07685 1.79902 1.87000 -55.24100 520.24463
7075.0000 -57.34804 -55.66924 1.67880 1.85636 -55.35442 509.36766
7080.0000 -57.06859 -55.10241 1.96618 1.87795 -55.17481 492.78189
7085.0000 -56.93411 -55.89644 1.03767 1.81809 -55.67284 431.61008
7090.0000 -57.22068 -55.96052 1.26016 1.78955 -55.91033 422.71515
7095.0000 -56.90612 -55.37926 1.52686 1.82288 -55.63303 469.32692
7100.0000 -57.37568 -55.75949 1.61619 1.83580 -55.52555 471.18858
7105.0000 -57.19618 -55.45977 1.73641 1.85488 -55.36674 489.17019
7110.0000 -56.57702 -55.23918 1.33784 1.85904 -55.33216 492.46421
7115.0000 -56.71933 -55.42403 1.29530 1.88354 -55.12828 522.98602
7120.0000 -56.79960 -55.53695 1.26265 1.84700 -55.43236 485.55034
7125.0000 -56.73118 -55.25392 1.47726 1.84125 -55.48021 478.74216
7130.0000 -57.05221 -55.31551 1.73670 1.85301 -55.38236 501.74811
7135.0000 -56.16571 -54.80533 1.36038 1.89135 -55.06333 569.73483
7140.0000 -56.64406 -55.17625 1.46781 1.87825 -55.17231 516.96164
7145.0000 -56.94600 -55.19240 1.75360 1.87613 -55.18997 537.59847
7150.0000 -56.87737 -55.30119 1.57618 1.85497 -55.36599 507.64348
7155.0000 -57.00516 -55.49667 1.50850 1.85069 -55.40160 489.73589
7160.0000 -57.06762 -55.91851 1.14912 1.83106 -55.56496 469.28985
7165.0000 -57.17766 -55.55080 1.62686 1.81844 -55.66999 478.95960
7170.0000 -56.77967 -55.28538 1.49429 1.82121 -55.64694 487.23699
7175.0000 -57.16093 -55.63024 1.53069 1.83979 -55.49230 472.67364
7180.0000 -57.18058 -56.11108 1.06950 1.79652 -55.85237 458.76305
7185.0000 -57.31785 -55.94376 1.37410 1.79380 -55.87497 446.40405
7190.0000 -57.03554 -55.82400 1.21154 1.78426 -55.95439 448.78923
7195.0000 -56.99598 -55.63701 1.35898 1.83096 -55.56583 484.16128
7200.0000 -56.75183 -55.41988 1.33195 1.80984 -55.74150 409.89671
7205.0000 -56.69756 -54.79045 1.90712 1.88747 -55.09565 518.14780
7210.0000 -57.02705 -55.50383 1.52322 1.87456 -55.20303 518.27966
7215.0000 -57.06974 -55.65180 1.41795 1.81016 -55.73886 457.01872
7220.0000 -57.19655 -55.23508 1.96147 1.81596 -55.69058 470.82759
7225.0000 -57.12934 -55.74000 1.38934 1.83747 -55.51167 475.90037
7230.0000 -57.28311 -55.76262 1.52049 1.82134 -55.64580 451.17109
7235.0000 -57.28271 -55.89735 1.38536 1.78650 -55.93573 437.97650
7240.0000 -56.82889 -55.69233 1.13656 1.80824 -55.75483 468.50751
7245.0000 -56.06943 -54.68081 1.38862 1.86239 -55.30428 508.97017
7250.0000 -56.88844 -55.69260 1.19584 1.86659 -55.26936 505.66677
FREEZING PROCESS: loop number 30 T-loop= 463.00000000000000
main_MD> interactions number 30 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03390 1.06602 -1.14633
force_rgl> df(natom) -0.99411 -0.36669 0.73478
7255.0000 -56.89605 -55.36003 1.53602 1.84744 -55.42870 502.02396
7260.0000 -56.58045 -54.53572 2.04472 1.88154 -55.14496 534.69409
7265.0000 -56.89519 -55.67906 1.21613 1.89628 -55.02235 543.05999
7270.0000 -56.87937 -55.34762 1.53175 1.81926 -55.66312 471.04444
7275.0000 -57.19552 -55.26564 1.92988 1.85511 -55.36485 490.76162
7280.0000 -56.89809 -54.92225 1.97584 1.88705 -55.09915 532.83009
7285.0000 -57.06037 -55.61878 1.44159 1.85305 -55.38202 498.28251
7290.0000 -57.02074 -55.38015 1.64059 1.82576 -55.60904 476.00880
7295.0000 -56.75717 -55.69975 1.05742 1.86088 -55.31685 504.59085
7300.0000 -56.83445 -55.53705 1.29739 1.84445 -55.45356 488.01326
7305.0000 -56.88304 -55.41627 1.46677 1.83389 -55.54142 463.69646
7310.0000 -57.39067 -55.90340 1.48727 1.79866 -55.83454 430.13276
7315.0000 -57.39697 -55.82706 1.56991 1.83985 -55.49185 464.92761
7320.0000 -57.35640 -55.88924 1.46716 1.81769 -55.67619 458.35144
7325.0000 -57.04029 -55.60573 1.43456 1.80967 -55.74295 446.06191
7330.0000 -56.91155 -55.62097 1.29057 1.84037 -55.48750 484.86654
7335.0000 -57.55475 -56.33838 1.21636 1.79402 -55.87319 435.27999
7340.0000 -57.28300 -55.73011 1.55289 1.79458 -55.86849 439.42100
7345.0000 -57.09852 -55.82773 1.27078 1.80143 -55.81152 462.70073
7350.0000 -57.47568 -56.37503 1.10064 1.77363 -56.04283 432.26792
7355.0000 -57.09571 -55.76725 1.32846 1.75779 -56.17461 408.28376
7360.0000 -57.17832 -55.61436 1.56396 1.81231 -55.72095 467.12608
7365.0000 -57.54895 -55.43236 2.11659 1.85758 -55.34427 541.45461
7370.0000 -56.87100 -54.87895 1.99205 1.85515 -55.36451 492.87042
7375.0000 -56.37999 -55.19093 1.18906 1.90525 -54.94766 569.89614
7380.0000 -57.11524 -55.61223 1.50301 1.82501 -55.61531 464.64698
7385.0000 -56.92476 -55.36870 1.55606 1.82822 -55.58862 462.92488
7390.0000 -56.91311 -55.58652 1.32659 1.80981 -55.74176 461.57616
7395.0000 -57.31619 -55.60316 1.71304 1.82198 -55.64055 468.71262
7400.0000 -57.09081 -55.58526 1.50555 1.84509 -55.44826 508.05775
7405.0000 -57.00923 -55.36746 1.64177 1.84662 -55.43552 496.62121
7410.0000 -57.11099 -55.81971 1.29128 1.84219 -55.47234 488.67043
7415.0000 -57.06190 -55.30208 1.75982 1.80812 -55.75585 465.69911
7420.0000 -57.51882 -55.86858 1.65024 1.79774 -55.84220 446.30227
7425.0000 -57.07222 -55.37181 1.70041 1.83253 -55.55276 467.74557
7430.0000 -56.90538 -55.50143 1.40395 1.87558 -55.19454 518.99435
7435.0000 -57.22406 -55.98451 1.23955 1.82947 -55.57816 462.73530
7440.0000 -56.85537 -55.37545 1.47992 1.82742 -55.59525 476.22993
7445.0000 -56.81246 -55.38945 1.42301 1.85400 -55.37407 531.92405
7450.0000 -57.13656 -55.54313 1.59343 1.83001 -55.57374 482.81900
7455.0000 -57.22253 -55.90035 1.32218 1.82535 -55.61249 462.64051
7460.0000 -57.04176 -55.71654 1.32522 1.79727 -55.84609 440.19189
7465.0000 -57.04104 -55.54375 1.49729 1.79792 -55.84069 442.84083
7470.0000 -56.97238 -55.64705 1.32533 1.82527 -55.61313 480.52017
7475.0000 -57.05530 -55.30796 1.74734 1.85098 -55.39922 503.65449
7480.0000 -56.86484 -55.47976 1.38509 1.85138 -55.39589 510.15878
7485.0000 -56.94133 -55.77116 1.17016 1.82369 -55.62630 471.86659
7490.0000 -57.10858 -55.88508 1.22350 1.81771 -55.67607 472.01272
7495.0000 -57.33230 -55.44976 1.88253 1.80423 -55.78821 448.05339
7500.0000 -57.23484 -56.08132 1.15352 1.79337 -55.87855 437.30225
FREEZING PROCESS: loop number 31 T-loop= 438.00000000000000
main_MD> interactions number 31 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71975 -1.85433 -1.80206
force_rgl> df(natom) 1.25761 -1.36266 1.06080
7505.0000 -57.44170 -56.05181 1.38988 1.76034 -56.15342 379.88386
7510.0000 -57.44376 -55.99655 1.44721 1.78117 -55.98008 438.68199
7515.0000 -57.41323 -56.11212 1.30111 1.76063 -56.15100 404.13944
7520.0000 -57.11271 -56.07919 1.03352 1.78485 -55.94945 414.26215
7525.0000 -57.41410 -56.34876 1.06534 1.75049 -56.23532 379.76009
7530.0000 -57.38963 -55.93449 1.45514 1.77739 -56.01149 402.67980
7535.0000 -57.79291 -56.36690 1.42601 1.76417 -56.12149 413.60075
7540.0000 -57.56365 -56.12266 1.44099 1.74032 -56.31995 380.02727
7545.0000 -56.91318 -55.70469 1.20849 1.79631 -55.85411 461.23177
7550.0000 -56.95393 -55.59114 1.36279 1.82009 -55.65626 444.33909
7555.0000 -57.18446 -55.69419 1.49026 1.84316 -55.46433 509.63161
7560.0000 -57.28179 -55.95789 1.32390 1.76623 -56.10441 412.60531
7565.0000 -57.06507 -56.08678 0.97829 1.76597 -56.10651 410.47724
7570.0000 -57.25355 -55.79641 1.45714 1.80199 -55.80688 433.87135
7575.0000 -56.95535 -55.97857 0.97678 1.76738 -56.09484 395.40980
7580.0000 -57.15326 -55.73510 1.41816 1.79305 -55.88125 411.02710
7585.0000 -56.97252 -55.52374 1.44878 1.76901 -56.08121 399.80483
7590.0000 -57.51111 -56.14384 1.36727 1.81236 -55.72056 470.44666
7595.0000 -57.46563 -56.23546 1.23018 1.75783 -56.17427 400.05461
7600.0000 -57.50290 -56.25189 1.25102 1.75637 -56.18639 402.20809
7605.0000 -57.27312 -56.26007 1.01306 1.75177 -56.22469 408.14045
7610.0000 -57.21352 -55.91887 1.29465 1.74954 -56.24321 388.58273
7615.0000 -57.17581 -56.13469 1.04111 1.78986 -55.90779 442.23742
7620.0000 -57.17777 -55.87648 1.30129 1.78734 -55.92872 434.95002
7625.0000 -57.16690 -55.59033 1.57658 1.80805 -55.75639 432.40108
7630.0000 -57.10263 -55.80846 1.29417 1.82176 -55.64236 466.14862
7635.0000 -57.50215 -56.19264 1.30951 1.80356 -55.79382 449.09591
7640.0000 -57.42061 -56.04076 1.37984 1.77572 -56.02544 420.42570
7645.0000 -57.04794 -55.99429 1.05364 1.78368 -55.95922 421.12768
7650.0000 -56.71087 -55.30135 1.40952 1.82479 -55.61712 467.64496
7655.0000 -57.08914 -56.07205 1.01709 1.79768 -55.84272 436.42598
7660.0000 -57.53040 -56.50279 1.02761 1.74343 -56.29405 361.42289
7665.0000 -57.24574 -56.05315 1.19259 1.75056 -56.23474 359.02038
7670.0000 -57.32601 -55.79005 1.53596 1.79688 -55.84938 417.68593
7675.0000 -57.12010 -55.73047 1.38963 1.79135 -55.89537 428.32091
7680.0000 -57.28757 -56.29128 0.99629 1.78760 -55.92655 430.42062
7685.0000 -57.20837 -55.94755 1.26082 1.75875 -56.16660 386.70074
7690.0000 -57.20963 -55.72322 1.48640 1.80473 -55.78406 451.77399
7695.0000 -57.36091 -56.06132 1.29958 1.77713 -56.01367 416.08987
7700.0000 -57.63884 -56.09478 1.54406 1.78204 -55.97285 427.35405
7705.0000 -57.56825 -55.87819 1.69006 1.77479 -56.03316 406.83958
7710.0000 -57.13785 -55.78392 1.35393 1.80763 -55.75992 457.70829
7715.0000 -57.31029 -56.04897 1.26132 1.80462 -55.78499 447.09590
7720.0000 -57.16015 -55.73964 1.42052 1.81657 -55.68552 449.65142
7725.0000 -57.41730 -55.71500 1.70230 1.81944 -55.66164 451.72380
7730.0000 -57.40071 -55.85477 1.54593 1.80907 -55.74797 492.22872
7735.0000 -56.78741 -55.66661 1.12080 1.78953 -55.91053 450.63270
7740.0000 -57.00628 -55.89153 1.11475 1.82699 -55.59884 490.53970
7745.0000 -57.12271 -55.77013 1.35258 1.78828 -55.92087 435.70835
7750.0000 -57.34315 -55.96885 1.37430 1.80095 -55.81546 454.25180
FREEZING PROCESS: loop number 32 T-loop= 413.00000000000000
main_MD> interactions number 32 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93825 -0.27528 0.49171
force_rgl> df(natom) 0.79470 2.98311 0.33511
7755.0000 -56.92529 -55.76897 1.15632 1.80758 -55.76029 427.96644
7760.0000 -57.21489 -56.13001 1.08488 1.77405 -56.03930 402.46357
7765.0000 -57.37078 -56.08399 1.28679 1.72095 -56.48114 363.07635
7770.0000 -57.28406 -55.94865 1.33541 1.76896 -56.08166 410.87723
7775.0000 -57.38787 -55.93985 1.44802 1.79839 -55.83679 444.42987
7780.0000 -57.69493 -56.23427 1.46066 1.75540 -56.19450 395.57177
7785.0000 -57.61535 -56.21809 1.39726 1.73274 -56.38305 342.49538
7790.0000 -57.34924 -55.90335 1.44589 1.81050 -55.73605 441.80942
7795.0000 -57.18194 -55.70313 1.47881 1.78908 -55.91428 432.78481
7800.0000 -57.04692 -55.88939 1.15753 1.81902 -55.66515 449.30666
7805.0000 -57.27735 -56.42087 0.85648 1.77609 -56.02229 419.53707
7810.0000 -57.22276 -55.60395 1.61881 1.77242 -56.05291 400.68505
7815.0000 -57.10817 -55.72027 1.38790 1.79426 -55.87118 419.86049
7820.0000 -57.05939 -55.97048 1.08892 1.79451 -55.86905 433.60642
7825.0000 -57.17825 -56.10444 1.07381 1.78174 -55.97531 421.73930
7830.0000 -57.26489 -56.32531 0.93958 1.75699 -56.18122 405.98718
7835.0000 -57.34006 -56.04145 1.29861 1.74478 -56.28283 380.62277
7840.0000 -57.10017 -55.88630 1.21386 1.77226 -56.05421 404.10890
7845.0000 -57.29330 -55.86457 1.42872 1.78998 -55.90674 407.72537
7850.0000 -57.25786 -56.02128 1.23658 1.80392 -55.79075 459.60600
7855.0000 -57.36799 -56.07039 1.29760 1.77017 -56.07155 417.84090
7860.0000 -57.16989 -55.70791 1.46198 1.77970 -55.99228 443.09686
7865.0000 -57.14892 -55.86327 1.28565 1.81830 -55.67112 455.52900
7870.0000 -57.62654 -56.08657 1.53996 1.80809 -55.75611 444.52796
7875.0000 -57.56157 -56.35021 1.21137 1.74400 -56.28934 369.90790
7880.0000 -57.46876 -56.25794 1.21082 1.72491 -56.44815 344.60579
7885.0000 -57.77043 -56.92371 0.84672 1.71822 -56.50381 356.51435
7890.0000 -57.31024 -56.10314 1.20710 1.74658 -56.26784 392.93255
7895.0000 -57.62030 -56.42338 1.19692 1.73633 -56.35319 379.58732
7900.0000 -57.79191 -56.29299 1.49892 1.73515 -56.36300 382.43751
7905.0000 -56.99521 -55.97702 1.01819 1.73165 -56.39210 377.42956
7910.0000 -57.46022 -56.13067 1.32954 1.78020 -55.98812 439.04138
7915.0000 -57.17867 -56.11041 1.06826 1.76667 -56.10069 405.42588
7920.0000 -57.20990 -56.34402 0.86588 1.75881 -56.16607 386.26351
7925.0000 -57.13953 -56.21973 0.91980 1.76977 -56.07492 381.51501
7930.0000 -57.28315 -55.83926 1.44389 1.77019 -56.07140 411.41497
7935.0000 -57.57502 -56.19289 1.38213 1.75731 -56.17856 408.70781
7940.0000 -57.49860 -56.33799 1.16062 1.75534 -56.19497 397.36553
7945.0000 -57.53093 -56.20872 1.32221 1.75466 -56.20062 389.59255
7950.0000 -57.35069 -56.12416 1.22653 1.77608 -56.02240 420.79229
7955.0000 -57.04582 -55.43767 1.60815 1.80935 -55.74557 447.28414
7960.0000 -57.56121 -56.35362 1.20759 1.76508 -56.11394 412.80424
7965.0000 -57.41292 -55.97516 1.43776 1.78561 -55.94315 433.17096
7970.0000 -57.57141 -56.08991 1.48151 1.75741 -56.17775 405.86870
7975.0000 -57.38868 -56.29228 1.09640 1.75257 -56.21801 401.86438
7980.0000 -57.41721 -56.26938 1.14784 1.76261 -56.13450 383.21145
7985.0000 -57.25295 -55.84772 1.40523 1.78952 -55.91056 423.18925
7990.0000 -57.40824 -56.20883 1.19941 1.78310 -55.96403 428.29531
7995.0000 -57.54660 -56.39682 1.14978 1.76980 -56.07470 396.71028
8000.0000 -57.35594 -56.15462 1.20132 1.75024 -56.23745 396.95684
FREEZING PROCESS: loop number 33 T-loop= 388.00000000000000
main_MD> interactions number 33 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.38709 0.97589 0.96916
force_rgl> df(natom) -2.71848 1.33224 2.75707
8005.0000 -57.57443 -56.60106 0.97337 1.73052 -56.40147 354.09325
8010.0000 -57.35373 -56.22145 1.13229 1.73145 -56.39376 351.53951
8015.0000 -57.49776 -56.53860 0.95916 1.74494 -56.28149 373.16984
8020.0000 -57.65596 -56.09209 1.56386 1.72448 -56.45175 365.98737
8025.0000 -57.33063 -55.91926 1.41137 1.77348 -56.04405 410.39866
8030.0000 -57.40803 -56.16181 1.24622 1.76313 -56.13015 393.12189
8035.0000 -57.32784 -56.38423 0.94361 1.73300 -56.38089 365.62019
8040.0000 -57.42073 -56.18518 1.23555 1.72792 -56.42315 337.36120
8045.0000 -57.06705 -55.95770 1.10935 1.77781 -56.00806 435.68687
8050.0000 -57.51212 -56.50629 1.00583 1.72757 -56.42605 380.87724
8055.0000 -57.38781 -56.01290 1.37491 1.71771 -56.50808 362.72504
8060.0000 -57.42612 -55.99510 1.43102 1.75814 -56.17169 407.22371
8065.0000 -57.63881 -56.33313 1.30567 1.75784 -56.17419 410.80958
8070.0000 -57.60663 -56.72488 0.88175 1.73224 -56.38721 364.17028
8075.0000 -57.69068 -56.46139 1.22928 1.71455 -56.53437 338.61344
8080.0000 -57.05520 -56.36895 0.68625 1.72852 -56.41814 362.22423
8085.0000 -57.31792 -56.29508 1.02284 1.75582 -56.19100 374.70994
8090.0000 -57.42158 -55.80003 1.62155 1.76256 -56.13489 405.73520
8095.0000 -57.04568 -55.42599 1.61969 1.83207 -55.55653 501.69812
8100.0000 -57.36923 -55.98808 1.38115 1.80611 -55.77252 471.45079
8105.0000 -57.02967 -55.84837 1.18130 1.76732 -56.09527 394.07821
8110.0000 -57.43149 -56.28230 1.14919 1.78158 -55.97663 423.52004
8115.0000 -57.64078 -56.60636 1.03442 1.75682 -56.18266 387.69868
8120.0000 -57.40875 -56.44484 0.96391 1.72949 -56.41010 361.91698
8125.0000 -57.60607 -56.40485 1.20122 1.74444 -56.28571 382.45352
8130.0000 -57.47750 -56.05073 1.42677 1.73364 -56.37557 368.89774
8135.0000 -57.66708 -56.55042 1.11667 1.74351 -56.29343 381.71111
8140.0000 -57.70916 -56.63526 1.07389 1.72201 -56.47233 365.45285
8145.0000 -57.99446 -56.67432 1.32014 1.70633 -56.60278 343.34587
8150.0000 -57.63474 -56.61803 1.01672 1.68554 -56.77575 319.84874
8155.0000 -57.97265 -56.65272 1.31993 1.69298 -56.71384 333.08388
8160.0000 -57.47406 -56.08824 1.38581 1.74273 -56.29992 395.00011
8165.0000 -57.83100 -56.52743 1.30357 1.78285 -55.96610 441.47249
8170.0000 -57.69245 -56.47517 1.21728 1.72081 -56.48225 341.83120
8175.0000 -57.55966 -56.56005 0.99960 1.70158 -56.64225 326.00006
8180.0000 -57.43178 -55.94335 1.48844 1.75523 -56.19594 388.66073
8185.0000 -57.36058 -55.86820 1.49238 1.78008 -55.98915 401.44862
8190.0000 -57.67999 -56.35478 1.32521 1.77259 -56.05149 415.38462
8195.0000 -57.33420 -56.04938 1.28482 1.75368 -56.20876 384.90188
8200.0000 -56.96989 -55.78962 1.18027 1.81294 -55.71573 466.75928
8205.0000 -57.06067 -55.80351 1.25716 1.82613 -55.60595 483.49044
8210.0000 -57.37730 -56.09070 1.28661 1.75237 -56.21968 402.19666
8215.0000 -57.32873 -55.81920 1.50953 1.78720 -55.92987 434.34694
8220.0000 -56.56920 -55.59971 0.96949 1.80195 -55.80716 447.72967
8225.0000 -57.52084 -56.26476 1.25607 1.79183 -55.89134 424.20766
8230.0000 -57.41001 -56.25451 1.15549 1.76442 -56.11939 398.44271
8235.0000 -57.76844 -56.78075 0.98769 1.72132 -56.47803 353.83227
8240.0000 -57.24871 -56.20051 1.04820 1.74233 -56.30320 371.01423
8245.0000 -57.27449 -56.03829 1.23620 1.76559 -56.10970 392.63937
8250.0000 -57.46664 -56.04296 1.42369 1.73227 -56.38691 365.28880
FREEZING PROCESS: loop number 34 T-loop= 363.00000000000000
main_MD> interactions number 34 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98512 2.19987 -0.58259
force_rgl> df(natom) 0.81170 -1.38355 0.75794
8255.0000 -57.35574 -56.36746 0.98828 1.74314 -56.29650 379.11125
8260.0000 -57.31292 -56.18916 1.12376 1.74761 -56.25927 387.12861
8265.0000 -57.45289 -56.51813 0.93476 1.75323 -56.21250 382.79633
8270.0000 -57.92495 -56.54538 1.37957 1.74915 -56.24648 386.87006
8275.0000 -57.47865 -56.34200 1.13665 1.71143 -56.56029 341.05363
8280.0000 -57.47243 -56.09205 1.38038 1.74839 -56.25282 374.10883
8285.0000 -57.18712 -56.14977 1.03735 1.75711 -56.18028 385.88479
8290.0000 -57.38464 -56.32913 1.05551 1.76979 -56.07475 400.89516
8295.0000 -57.13196 -55.70494 1.42701 1.78121 -55.97970 422.72544
8300.0000 -57.28809 -55.93876 1.34933 1.79875 -55.83382 452.00946
8305.0000 -57.68715 -56.39532 1.29183 1.74763 -56.25912 371.11599
8310.0000 -57.30229 -56.16871 1.13358 1.73317 -56.37944 364.31445
8315.0000 -57.43311 -56.69681 0.73630 1.73198 -56.38938 357.23553
8320.0000 -57.69473 -56.56325 1.13149 1.70965 -56.57511 343.16414
8325.0000 -57.78028 -56.65899 1.12129 1.72292 -56.46469 358.30272
8330.0000 -57.45853 -56.22511 1.23342 1.75177 -56.22471 400.75888
8335.0000 -57.25606 -55.94289 1.31317 1.79599 -55.85673 439.57759
8340.0000 -57.54193 -56.68461 0.85732 1.70644 -56.60181 334.85331
8345.0000 -57.35145 -56.32406 1.02739 1.73806 -56.33874 374.93591
8350.0000 -57.34102 -56.12121 1.21982 1.74997 -56.23963 377.08975
8355.0000 -57.73124 -56.63796 1.09329 1.73186 -56.39037 349.75147
8360.0000 -58.06425 -56.73887 1.32538 1.68669 -56.76614 314.68986
8365.0000 -57.48243 -56.40529 1.07714 1.73323 -56.37896 365.15477
8370.0000 -57.42004 -56.38645 1.03360 1.72622 -56.43728 351.65224
8375.0000 -57.58709 -56.66737 0.91972 1.72107 -56.48010 343.81943
8380.0000 -57.28435 -56.56395 0.72040 1.69435 -56.70240 318.32156
8385.0000 -57.65454 -56.69164 0.96290 1.69878 -56.66554 335.20718
8390.0000 -57.90646 -56.57626 1.33020 1.69825 -56.67002 338.09378
8395.0000 -57.90668 -57.08906 0.81762 1.68919 -56.74538 322.76413
8400.0000 -57.77705 -56.64645 1.13060 1.69758 -56.67560 325.33582
8405.0000 -57.79423 -56.40506 1.38917 1.71800 -56.50570 363.18645
8410.0000 -57.66097 -56.67183 0.98914 1.69450 -56.70121 341.36837
8415.0000 -57.51483 -56.34688 1.16795 1.70257 -56.63408 339.91156
8420.0000 -57.93542 -56.43003 1.50539 1.74489 -56.28191 389.32845
8425.0000 -57.87574 -56.42993 1.44581 1.73594 -56.35638 378.29649
8430.0000 -57.55419 -56.20201 1.35218 1.74675 -56.26645 380.36619
8435.0000 -57.58841 -56.57423 1.01418 1.75324 -56.21248 366.48464
8440.0000 -57.48064 -56.50556 0.97507 1.71362 -56.54213 320.61861
8445.0000 -57.64672 -56.58031 1.06641 1.72508 -56.44674 347.91309
8450.0000 -57.47537 -56.26049 1.21488 1.73972 -56.32491 372.06330
8455.0000 -57.84707 -56.93639 0.91068 1.72026 -56.48685 350.09021
8460.0000 -57.54593 -56.66754 0.87840 1.67910 -56.82929 286.37577
8465.0000 -57.58180 -56.67111 0.91068 1.71952 -56.49304 332.36093
8470.0000 -57.46278 -56.44012 1.02267 1.71076 -56.56593 329.39626
8475.0000 -57.53182 -56.45171 1.08011 1.72561 -56.44236 366.89375
8480.0000 -57.66749 -56.67952 0.98797 1.69874 -56.66592 331.39339
8485.0000 -57.68124 -56.71704 0.96420 1.69810 -56.67122 317.98994
8490.0000 -57.88993 -56.75947 1.13047 1.70003 -56.65517 323.75160
8495.0000 -57.45853 -56.24803 1.21051 1.69570 -56.69121 317.23371
8500.0000 -57.65935 -56.55474 1.10461 1.75774 -56.17499 407.23805
FREEZING PROCESS: loop number 35 T-loop= 338.00000000000000
main_MD> interactions number 35 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19069 0.98017 -0.71395
force_rgl> df(natom) -0.55824 -1.96988 0.83288
8505.0000 -57.33743 -56.26525 1.07218 1.71349 -56.54320 340.62797
8510.0000 -57.66852 -56.67275 0.99577 1.72458 -56.45091 335.65848
8515.0000 -57.31107 -56.14554 1.16554 1.71372 -56.54124 316.92355
8520.0000 -57.46115 -56.56307 0.89808 1.73308 -56.38023 356.93310
8525.0000 -57.86132 -56.91984 0.94148 1.70925 -56.57848 345.22239
8530.0000 -57.70057 -56.85276 0.84782 1.66224 -56.96960 266.82285
8535.0000 -57.64294 -56.64962 0.99332 1.69347 -56.70973 311.99346
8540.0000 -57.69648 -56.75678 0.93970 1.69974 -56.65759 321.62814
8545.0000 -57.88537 -57.07912 0.80624 1.67897 -56.83037 293.47579
8550.0000 -57.68601 -56.66783 1.01818 1.66851 -56.91744 281.47782
8555.0000 -57.74949 -56.94967 0.79981 1.68265 -56.79978 304.91330
8560.0000 -57.74182 -56.89731 0.84451 1.66071 -56.98231 271.07471
8565.0000 -57.42955 -56.38646 1.04309 1.71002 -56.57205 326.36522
8570.0000 -57.48016 -56.17089 1.30927 1.71662 -56.51714 333.14793
8575.0000 -57.36058 -56.18911 1.17148 1.74887 -56.24879 393.08084
8580.0000 -57.18727 -56.04850 1.13877 1.75672 -56.18351 398.19255
8585.0000 -57.36477 -56.29223 1.07254 1.76850 -56.08552 409.28517
8590.0000 -57.49891 -56.69134 0.80757 1.71714 -56.51281 340.77530
8595.0000 -57.29810 -56.28073 1.01738 1.73918 -56.32945 377.81976
8600.0000 -57.34317 -56.39578 0.94739 1.73998 -56.32276 362.34993
8605.0000 -57.62514 -56.01191 1.61323 1.73851 -56.33501 374.67518
8610.0000 -57.39685 -56.53212 0.86474 1.74893 -56.24831 405.24493
8615.0000 -57.81110 -56.70236 1.10874 1.70727 -56.59497 337.42904
8620.0000 -57.75553 -57.13007 0.62546 1.69775 -56.67418 320.10882
8625.0000 -57.67784 -56.84742 0.83042 1.65489 -57.03079 251.70823
8630.0000 -57.78412 -56.74656 1.03756 1.71141 -56.56050 332.86339
8635.0000 -57.56670 -56.39323 1.17347 1.71051 -56.56798 336.99027
8640.0000 -57.58922 -56.57784 1.01138 1.69835 -56.66918 334.78898
8645.0000 -57.73556 -56.63504 1.10052 1.69919 -56.66220 333.26088
8650.0000 -57.62714 -56.81466 0.81248 1.69956 -56.65912 344.18370
8655.0000 -57.95155 -57.21892 0.73263 1.66060 -56.98326 285.07246
8660.0000 -57.84219 -56.70538 1.13682 1.66319 -56.96166 293.37952
8665.0000 -57.68922 -56.88899 0.80024 1.66929 -56.91094 298.64646
8670.0000 -57.97845 -56.78989 1.18856 1.67437 -56.86870 297.45240
8675.0000 -57.46354 -56.49692 0.96662 1.70550 -56.60965 340.20015
8680.0000 -57.58073 -56.72004 0.86069 1.69367 -56.70811 322.41614
8685.0000 -57.95882 -57.02521 0.93361 1.66586 -56.93948 290.74063
8690.0000 -57.65600 -56.61837 1.03764 1.68453 -56.78415 325.03325
8695.0000 -57.64633 -56.69862 0.94771 1.70992 -56.57290 347.55418
8700.0000 -57.57335 -56.61461 0.95874 1.70233 -56.63600 330.67142
8705.0000 -57.81714 -56.96143 0.85571 1.68030 -56.81937 309.24305
8710.0000 -57.87507 -56.94765 0.92742 1.66718 -56.92847 287.71390
8715.0000 -57.69561 -56.67081 1.02480 1.68320 -56.79523 314.34794
8720.0000 -57.67185 -56.49179 1.18006 1.69317 -56.71226 324.41788
8725.0000 -57.55079 -56.55841 0.99239 1.73497 -56.36451 378.86553
8730.0000 -57.84121 -56.80094 1.04027 1.69351 -56.70946 323.44182
8735.0000 -57.55666 -56.47292 1.08374 1.70500 -56.61384 338.08320
8740.0000 -57.70972 -56.83960 0.87012 1.68791 -56.75601 318.93946
8745.0000 -57.80916 -56.95540 0.85376 1.67605 -56.85474 298.64464
8750.0000 -57.69513 -56.45868 1.23645 1.70213 -56.63767 344.36257
FREEZING PROCESS: loop number 36 T-loop= 313.00000000000000
main_MD> interactions number 36 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33808 -0.29013 1.57093
force_rgl> df(natom) 0.68534 -0.38749 -0.10669
8755.0000 -57.50563 -56.58569 0.91994 1.70566 -56.60834 339.52395
8760.0000 -57.85112 -56.88056 0.97056 1.68670 -56.76608 313.09792
8765.0000 -57.72881 -56.92472 0.80408 1.67036 -56.90203 292.81804
8770.0000 -57.48859 -56.52238 0.96620 1.69735 -56.67747 322.92977
8775.0000 -57.30488 -56.51298 0.79190 1.71713 -56.51287 321.08287
8780.0000 -57.98665 -56.75590 1.23075 1.70127 -56.64488 306.79251
8785.0000 -57.71049 -56.55936 1.15112 1.70105 -56.64668 343.97762
8790.0000 -57.67567 -56.51149 1.16418 1.71770 -56.50813 354.14484
8795.0000 -57.69155 -56.50087 1.19068 1.71001 -56.57215 349.00771
8800.0000 -57.70023 -56.62314 1.07708 1.70663 -56.60031 349.67430
8805.0000 -57.71709 -56.69853 1.01856 1.69818 -56.67061 324.51612
8810.0000 -58.11813 -57.32052 0.79761 1.64476 -57.11503 260.55003
8815.0000 -58.04253 -57.19706 0.84548 1.62122 -57.31088 240.98746
8820.0000 -57.77345 -56.81174 0.96172 1.65450 -57.03400 278.12632
8825.0000 -57.91273 -56.84880 1.06393 1.69573 -56.69096 319.97227
8830.0000 -57.55507 -56.76835 0.78671 1.68776 -56.75726 318.07264
8835.0000 -57.60567 -56.73235 0.87332 1.69715 -56.67913 325.89720
8840.0000 -57.88520 -56.91461 0.97058 1.68194 -56.80572 303.67624
8845.0000 -57.54722 -56.71098 0.83624 1.67358 -56.87522 296.79271
8850.0000 -57.89688 -56.96018 0.93670 1.66758 -56.92521 282.64745
8855.0000 -57.43747 -56.69564 0.74183 1.67804 -56.83816 295.74549
8860.0000 -57.57105 -56.63441 0.93663 1.73196 -56.38950 377.35355
8865.0000 -57.87631 -56.83060 1.04571 1.69953 -56.65937 337.73041
8870.0000 -58.03107 -56.93672 1.09435 1.67189 -56.88931 303.61901
8875.0000 -57.65313 -56.62742 1.02571 1.67682 -56.84826 308.50118
8880.0000 -57.18017 -56.20907 0.97109 1.71451 -56.53468 352.95131
8885.0000 -57.60417 -56.74487 0.85930 1.70439 -56.61890 330.78306
8890.0000 -58.05893 -57.26168 0.79725 1.65575 -57.02360 275.52834
8895.0000 -57.90464 -57.05530 0.84933 1.64258 -57.13318 271.75703
8900.0000 -57.51922 -56.75569 0.76353 1.67658 -56.85027 309.56865
8905.0000 -57.92505 -56.78990 1.13515 1.68187 -56.80628 310.14413
8910.0000 -57.77380 -56.77154 1.00226 1.66870 -56.91586 294.31165
8915.0000 -57.86526 -56.89989 0.96537 1.68327 -56.79464 321.64382
8920.0000 -58.04464 -57.02651 1.01812 1.67077 -56.89864 304.22848
8925.0000 -57.90809 -56.94980 0.95830 1.64634 -57.10187 261.84701
8930.0000 -57.61574 -56.83115 0.78459 1.69090 -56.73113 326.25842
8935.0000 -58.03937 -57.02996 1.00941 1.66314 -56.96210 288.19442
8940.0000 -57.71679 -56.61736 1.09943 1.69505 -56.69660 327.01358
8945.0000 -57.78047 -56.90346 0.87701 1.67572 -56.85745 316.90548
8950.0000 -57.97631 -57.13091 0.84539 1.64295 -57.13014 271.58161
8955.0000 -57.86103 -57.16456 0.69647 1.63519 -57.19469 243.97017
8960.0000 -58.02901 -57.25234 0.77667 1.64924 -57.07780 262.88415
8965.0000 -57.58371 -56.78116 0.80255 1.65073 -57.06536 265.85237
8970.0000 -57.49670 -56.58586 0.91084 1.71014 -56.57106 341.04384
8975.0000 -57.85136 -56.69470 1.15666 1.70068 -56.64977 329.96139
8980.0000 -57.54694 -56.69988 0.84706 1.68386 -56.78974 307.91759
8985.0000 -57.85852 -56.69046 1.16807 1.68292 -56.79751 297.33255
8990.0000 -57.67999 -56.79053 0.88946 1.68793 -56.75587 309.85018
8995.0000 -57.79113 -56.90047 0.89066 1.68954 -56.74242 323.11364
9000.0000 -57.65914 -56.81176 0.84738 1.66952 -56.90901 293.56538
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 49.7084833 [s].
main_MD> Deallocating global variables
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