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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_25/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_25.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 = 25 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 25 2500
main_MD> Size of nv and nvoiz: 25 2500
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 = 25
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -8.1005980901258282E-002 -3.7117963880930914E-003 5.1608895767911632E-002 initial drift of cluster / NP1 for coalescence
init> 0.32016392104097585 0.34980501121955193 0.25266144773098553 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7730806821967781E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.91312 -1.71743 2.78637
force_rgl> df(natom) -1.56804 -1.10072 2.08337
preparo> THERMALIZATION PROCESS AT 1238.0734162073622
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -53.818479229795415 2.9432460694454101 -56.761725299240823 5.3043669023692644E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1210.0000000000000
main_MD> interactions number 1 at Temperature= 1210.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02821 -1.12929 -2.39345
force_rgl> df(natom) -2.10083 -0.88646 -1.08313
5.0000 -55.09140 -52.08687 3.00453 2.48188 -52.53021 1149.88483
10.0000 -56.38359 -52.66694 3.71666 2.42428 -53.02272 1097.32019
15.0000 -56.69487 -52.44850 4.24637 2.51584 -52.23989 1182.82433
20.0000 -55.63472 -52.01713 3.61760 2.51968 -52.20702 1176.15989
25.0000 -56.14079 -52.32010 3.82069 2.57545 -51.73020 1256.42052
30.0000 -54.65532 -49.81769 4.83763 2.59125 -51.59514 1269.02149
35.0000 -54.82265 -51.27707 3.54559 2.69064 -50.74539 1321.77594
40.0000 -57.46986 -52.85894 4.61093 2.53219 -52.10008 1169.51021
45.0000 -57.29729 -53.99693 3.30036 2.37156 -53.47346 1009.95476
50.0000 -56.27396 -53.02265 3.25131 2.31067 -53.99403 932.83509
55.0000 -56.01327 -51.63551 4.37776 2.53879 -52.04361 1214.30850
60.0000 -55.55856 -51.76816 3.79040 2.55795 -51.87984 1286.97977
65.0000 -54.89269 -50.03978 4.85292 2.64676 -51.12054 1327.29328
70.0000 -55.63945 -50.82689 4.81256 2.72297 -50.46897 1399.41845
75.0000 -55.48062 -51.20122 4.27940 2.65578 -51.04342 1260.35872
80.0000 -55.45556 -51.37437 4.08119 2.68731 -50.77381 1377.25331
85.0000 -55.06104 -51.91643 3.14461 2.58354 -51.66104 1217.54359
90.0000 -54.52346 -51.04544 3.47802 2.58897 -51.61465 1177.82202
95.0000 -55.54959 -52.56344 2.98615 2.58392 -51.65776 1194.11667
100.0000 -56.11355 -52.53213 3.58141 2.53574 -52.06969 1159.90974
105.0000 -54.48514 -50.75405 3.73109 2.67212 -50.90368 1259.18737
110.0000 -55.72582 -50.38478 5.34103 2.72875 -50.41950 1377.15337
115.0000 -54.08427 -49.21042 4.87385 2.78440 -49.94374 1457.70987
120.0000 -53.38914 -48.38126 5.00787 2.98224 -48.25221 1632.73346
125.0000 -54.45112 -50.72178 3.72933 2.86325 -49.26953 1395.47943
130.0000 -54.82035 -50.83232 3.98803 2.75867 -50.16373 1355.47687
135.0000 -55.17450 -51.36005 3.81445 2.64225 -51.15911 1317.67817
140.0000 -55.45048 -51.64547 3.80501 2.62021 -51.34748 1299.30611
145.0000 -54.15760 -50.45311 3.70449 2.62578 -51.29987 1247.33955
150.0000 -55.77310 -51.57753 4.19556 2.67865 -50.84790 1289.23656
155.0000 -55.01238 -50.33281 4.67957 2.76493 -50.11021 1385.19363
160.0000 -55.45785 -51.19096 4.26690 2.74442 -50.28553 1355.63754
165.0000 -54.85545 -51.28314 3.57232 2.66516 -50.96317 1288.14071
170.0000 -55.38468 -50.72794 4.65674 2.71157 -50.56640 1268.96270
175.0000 -55.97384 -51.44898 4.52486 2.63549 -51.21691 1147.08334
180.0000 -55.73638 -51.93061 3.80577 2.56385 -51.82941 1201.42301
185.0000 -55.96252 -51.37621 4.58631 2.58325 -51.66348 1231.97912
190.0000 -55.57643 -52.29795 3.27848 2.48762 -52.48119 1096.08140
195.0000 -55.06024 -50.96957 4.09068 2.52496 -52.16192 1059.74391
200.0000 -54.84063 -50.88412 3.95651 2.58611 -51.63907 1183.57800
205.0000 -54.92847 -51.26216 3.66631 2.74293 -50.29832 1470.32737
210.0000 -56.21728 -51.51521 4.70208 2.58562 -51.64329 1236.06920
215.0000 -54.99768 -50.61542 4.38226 2.62664 -51.29253 1263.26245
220.0000 -53.92563 -50.04457 3.88106 2.74366 -50.29208 1272.70550
225.0000 -55.20210 -51.61830 3.58379 2.73774 -50.34269 1314.31955
230.0000 -55.00142 -51.74743 3.25399 2.60362 -51.48934 1183.39754
235.0000 -56.05677 -51.49899 4.55778 2.59804 -51.53707 1191.42514
240.0000 -56.09847 -52.32626 3.77221 2.57658 -51.72051 1196.22296
245.0000 -56.32851 -50.01870 6.30980 2.59189 -51.58965 1160.03566
250.0000 -54.74429 -50.33254 4.41176 2.70339 -50.63634 1299.06360
FREEZING PROCESS: loop number 2 T-loop= 1185.0000000000000
main_MD> interactions number 2 at Temperature= 1185.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33574 2.08125 3.21141
force_rgl> df(natom) 0.83462 3.49248 -1.96401
255.0000 -55.83375 -51.14521 4.68854 2.65390 -51.05951 1339.24171
260.0000 -55.22677 -51.49805 3.72873 2.61486 -51.39326 1295.08994
265.0000 -55.09133 -51.21907 3.87227 2.63228 -51.24431 1240.70344
270.0000 -55.70630 -52.53670 3.16961 2.53479 -52.07781 1152.18403
275.0000 -56.50241 -52.75381 3.74861 2.49628 -52.40713 1152.43515
280.0000 -56.46452 -52.03525 4.42927 2.51504 -52.24674 1163.59345
285.0000 -55.95620 -51.92809 4.02811 2.52724 -52.14238 1196.51651
290.0000 -55.08393 -51.13340 3.95053 2.56410 -51.82722 1217.76101
295.0000 -56.08559 -52.20735 3.87824 2.47358 -52.60115 1088.66191
300.0000 -55.93151 -52.47137 3.46015 2.47690 -52.57278 1180.44476
305.0000 -55.64430 -51.46454 4.17976 2.53913 -52.04072 1120.37127
310.0000 -55.51022 -51.97543 3.53479 2.66284 -50.98303 1300.72743
315.0000 -55.16439 -51.24624 3.91815 2.56151 -51.84944 1166.84641
320.0000 -54.79901 -51.54946 3.24954 2.69672 -50.69340 1254.07171
325.0000 -55.24237 -52.23821 3.00416 2.58275 -51.66778 1177.34514
330.0000 -55.89172 -52.10596 3.78576 2.53877 -52.04379 1151.15514
335.0000 -56.58218 -52.48879 4.09339 2.55640 -51.89309 1175.51230
340.0000 -56.03234 -51.75506 4.27728 2.44171 -52.87370 1113.26350
345.0000 -54.67594 -51.68907 2.98687 2.64548 -51.13146 1314.89097
350.0000 -55.74654 -51.44115 4.30539 2.60678 -51.46238 1213.80534
355.0000 -57.42001 -53.07983 4.34017 2.49144 -52.44845 1135.29299
360.0000 -55.08611 -51.40216 3.68395 2.47183 -52.61619 1112.08279
365.0000 -54.31650 -50.78362 3.53289 2.71686 -50.52122 1273.04062
370.0000 -56.08229 -51.72565 4.35664 2.65557 -51.04523 1228.40728
375.0000 -54.62460 -51.39138 3.23322 2.58293 -51.66624 1222.31637
380.0000 -55.28968 -50.63483 4.65485 2.65402 -51.05846 1312.35892
385.0000 -55.73714 -51.26583 4.47131 2.67642 -50.86693 1280.23314
390.0000 -55.02782 -51.51948 3.50834 2.60970 -51.43741 1172.49804
395.0000 -56.28833 -53.24541 3.04292 2.55474 -51.90729 1160.87096
400.0000 -57.00113 -53.96328 3.03785 2.32538 -53.86828 995.37574
405.0000 -56.05130 -52.04900 4.00230 2.40269 -53.20733 1039.05538
410.0000 -55.32538 -51.52679 3.79859 2.54711 -51.97249 1168.27031
415.0000 -55.57206 -51.87611 3.69595 2.60638 -51.46579 1269.05982
420.0000 -55.73010 -51.48166 4.24844 2.57773 -51.71068 1207.25407
425.0000 -55.04692 -51.17276 3.87416 2.54245 -52.01236 1184.08537
430.0000 -55.70033 -52.52463 3.17570 2.57071 -51.77075 1195.75390
435.0000 -55.04836 -51.01035 4.03801 2.55451 -51.90926 1217.13691
440.0000 -55.25024 -51.17877 4.07147 2.69669 -50.69361 1338.04664
445.0000 -54.60869 -50.05594 4.55274 2.79118 -49.88576 1413.88240
450.0000 -56.11639 -52.76635 3.35004 2.57065 -51.77127 1117.12256
455.0000 -56.82598 -52.62750 4.19847 2.50218 -52.35663 1104.45492
460.0000 -55.16508 -50.79624 4.36884 2.65826 -51.02218 1375.11986
465.0000 -54.85805 -49.33220 5.52585 2.73160 -50.39511 1351.47032
470.0000 -54.73936 -50.15354 4.58582 2.85422 -49.34676 1415.85683
475.0000 -55.81666 -52.13481 3.68185 2.62705 -51.28901 1280.76764
480.0000 -55.77898 -52.71648 3.06251 2.54259 -52.01117 1109.35794
485.0000 -55.45646 -51.97674 3.47973 2.52115 -52.19443 1101.67846
490.0000 -55.63020 -51.08994 4.54026 2.65103 -51.08399 1265.47535
495.0000 -55.83743 -51.12869 4.70874 2.62362 -51.31835 1246.84796
500.0000 -55.81030 -51.93139 3.87891 2.57356 -51.74640 1171.19426
FREEZING PROCESS: loop number 3 T-loop= 1160.0000000000000
main_MD> interactions number 3 at Temperature= 1160.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63470 1.77831 -4.55119
force_rgl> df(natom) 1.88720 9.58612 -4.13571
505.0000 -55.58242 -50.96327 4.61916 2.62219 -51.33061 1271.73804
510.0000 -55.37790 -52.39615 2.98175 2.63119 -51.25366 1186.45328
515.0000 -55.92853 -50.88943 5.03910 2.59259 -51.58363 1190.24861
520.0000 -56.49867 -52.57032 3.92835 2.57854 -51.70378 1193.08678
525.0000 -54.04601 -50.02579 4.02022 2.61836 -51.36335 1279.27472
530.0000 -55.91056 -53.40358 2.50698 2.66163 -50.99337 1294.04385
535.0000 -57.26811 -53.24151 4.02660 2.30654 -54.02933 971.00929
540.0000 -57.72034 -54.42084 3.29950 2.38194 -53.38470 1033.09378
545.0000 -55.99775 -52.92016 3.07759 2.32423 -53.87812 991.59913
550.0000 -56.75139 -52.91395 3.83744 2.41315 -53.11787 1046.62858
555.0000 -57.05743 -53.80523 3.25220 2.37600 -53.43551 1015.88114
560.0000 -55.46047 -51.81961 3.64086 2.37520 -53.44230 1011.30609
565.0000 -56.33672 -52.54222 3.79450 2.47382 -52.59912 1087.82674
570.0000 -55.44312 -52.58215 2.86097 2.49951 -52.37948 1185.24825
575.0000 -55.54669 -51.95578 3.59091 2.42732 -52.99673 1081.73670
580.0000 -56.38224 -53.00881 3.37344 2.41955 -53.06311 1053.07729
585.0000 -56.10390 -52.66859 3.43532 2.47463 -52.59224 1079.70615
590.0000 -54.96830 -51.07356 3.89474 2.50618 -52.32246 1153.68056
595.0000 -54.89085 -50.76943 4.12143 2.62908 -51.27172 1273.61986
600.0000 -55.63657 -50.74869 4.88787 2.62050 -51.34505 1279.56323
605.0000 -55.74625 -51.83674 3.90952 2.66723 -50.94551 1305.19675
610.0000 -55.34607 -51.62288 3.72318 2.55548 -51.90092 1209.09422
615.0000 -55.12690 -51.02020 4.10669 2.57616 -51.72412 1174.00568
620.0000 -55.83457 -51.60142 4.23315 2.60021 -51.51851 1278.05705
625.0000 -55.44846 -51.71422 3.73425 2.59477 -51.56503 1247.89919
630.0000 -56.32166 -53.07246 3.24920 2.48298 -52.52084 1093.09649
635.0000 -55.38682 -51.35948 4.02734 2.54221 -52.01443 1142.61421
640.0000 -56.60800 -51.61396 4.99404 2.61425 -51.39850 1276.28924
645.0000 -55.87128 -52.50749 3.36379 2.54941 -51.95281 1131.10844
650.0000 -56.14042 -52.50830 3.63212 2.47337 -52.60300 1107.76568
655.0000 -55.71496 -51.76658 3.94838 2.49060 -52.45565 1120.25871
660.0000 -55.53346 -51.06683 4.46664 2.59750 -51.54169 1243.18168
665.0000 -55.23940 -51.95374 3.28566 2.55053 -51.94325 1168.52773
670.0000 -55.06738 -50.49975 4.56763 2.60265 -51.49762 1222.79338
675.0000 -55.43040 -52.15167 3.27874 2.54912 -51.95537 1108.54732
680.0000 -55.63334 -51.46910 4.16424 2.57489 -51.73497 1173.73060
685.0000 -54.96659 -51.52789 3.43870 2.59746 -51.54200 1171.19694
690.0000 -54.58295 -51.71460 2.86835 2.57559 -51.72905 1196.82074
695.0000 -55.60013 -51.84607 3.75406 2.57002 -51.77662 1188.50003
700.0000 -57.23650 -52.09037 5.14614 2.49720 -52.39924 1156.52437
705.0000 -56.60285 -53.09005 3.51280 2.43477 -52.93303 1101.75628
710.0000 -55.59099 -52.20441 3.38658 2.51768 -52.22413 1148.10851
715.0000 -56.32499 -53.38950 2.93549 2.52245 -52.18334 1068.67991
720.0000 -55.87392 -52.08910 3.78482 2.48259 -52.52415 1114.56100
725.0000 -55.13845 -51.21904 3.91941 2.52910 -52.12650 1175.26710
730.0000 -55.17462 -50.88039 4.29423 2.66868 -50.93308 1253.88673
735.0000 -54.88471 -50.52461 4.36010 2.61951 -51.35355 1256.54959
740.0000 -55.33274 -51.52888 3.80386 2.73348 -50.37905 1406.16265
745.0000 -55.72129 -52.54450 3.17680 2.58419 -51.65552 1180.32967
750.0000 -55.29325 -51.73903 3.55421 2.56177 -51.84720 1202.48582
FREEZING PROCESS: loop number 4 T-loop= 1135.0000000000000
main_MD> interactions number 4 at Temperature= 1135.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78930 -3.06916 -3.23575
force_rgl> df(natom) 1.74231 0.63446 -4.94641
755.0000 -55.02461 -51.75093 3.27368 2.55442 -51.91000 1146.78049
760.0000 -56.28298 -52.67438 3.60859 2.49931 -52.38123 1095.75446
765.0000 -56.41562 -52.94241 3.47322 2.47970 -52.54885 1099.79335
770.0000 -56.31952 -52.21366 4.10586 2.44687 -52.82952 1072.49478
775.0000 -54.94295 -51.51421 3.42874 2.50121 -52.36495 1145.97530
780.0000 -57.20826 -52.89764 4.31062 2.49685 -52.40223 1142.72020
785.0000 -57.29857 -53.96849 3.33008 2.36451 -53.53374 980.34460
790.0000 -56.68208 -53.07769 3.60439 2.34175 -53.72831 987.12500
795.0000 -55.81045 -52.43020 3.38025 2.45625 -52.74935 1120.87082
800.0000 -54.92895 -50.98618 3.94277 2.59955 -51.52417 1197.43631
805.0000 -55.05469 -51.58386 3.47082 2.53512 -52.07500 1184.86960
810.0000 -56.48681 -52.09139 4.39542 2.57255 -51.75497 1204.16872
815.0000 -56.46156 -53.51727 2.94429 2.46713 -52.65633 1108.18781
820.0000 -56.78250 -53.64052 3.14198 2.37454 -53.44797 1055.24338
825.0000 -56.06132 -52.68854 3.37278 2.29803 -54.10213 938.79705
830.0000 -56.37441 -51.54891 4.82550 2.52741 -52.14094 1168.24029
835.0000 -55.71061 -52.04710 3.66351 2.53459 -52.07954 1204.01067
840.0000 -55.26786 -51.08571 4.18215 2.63190 -51.24757 1336.00080
845.0000 -55.11334 -50.58648 4.52686 2.74310 -50.29680 1339.47387
850.0000 -56.93440 -52.88180 4.05260 2.55670 -51.89053 1142.26120
855.0000 -57.26654 -53.48195 3.78459 2.39469 -53.27571 1068.45476
860.0000 -56.72372 -52.72216 4.00156 2.46529 -52.67205 1146.32027
865.0000 -57.38334 -52.33844 5.04491 2.43868 -52.89959 1119.55220
870.0000 -55.36013 -51.80237 3.55777 2.51261 -52.26747 1160.85290
875.0000 -56.65576 -52.66012 3.99565 2.52243 -52.18355 1234.41353
880.0000 -55.87253 -51.36923 4.50330 2.61126 -51.42402 1236.29873
885.0000 -54.94813 -51.41619 3.53194 2.60532 -51.47485 1250.49748
890.0000 -55.33045 -51.81043 3.52002 2.55402 -51.91341 1171.13775
895.0000 -57.17003 -52.25857 4.91146 2.55881 -51.87250 1149.10953
900.0000 -55.55938 -51.70839 3.85099 2.50032 -52.37256 1094.85038
905.0000 -56.30530 -52.69435 3.61095 2.49423 -52.42462 1086.16013
910.0000 -55.84986 -53.04238 2.80749 2.47738 -52.56867 1130.37555
915.0000 -54.70815 -51.61541 3.09274 2.45890 -52.72671 1037.55279
920.0000 -56.40041 -53.50178 2.89863 2.40714 -53.16921 1022.37316
925.0000 -55.29873 -52.54310 2.75563 2.45273 -52.77944 1079.64342
930.0000 -56.35812 -52.53052 3.82760 2.50706 -52.31492 1099.52552
935.0000 -56.41866 -53.04600 3.37267 2.46488 -52.67559 1088.40663
940.0000 -55.92405 -52.43484 3.48921 2.42846 -52.98698 1042.16431
945.0000 -56.63089 -54.01723 2.61366 2.35134 -53.64632 1025.56961
950.0000 -56.63618 -53.03184 3.60434 2.37985 -53.40255 1047.52029
955.0000 -55.91688 -52.28816 3.62872 2.43076 -52.96729 1026.70479
960.0000 -56.19373 -52.87702 3.31672 2.48678 -52.48833 1064.39935
965.0000 -56.90868 -53.07850 3.83018 2.43178 -52.95856 1074.37750
970.0000 -55.97183 -52.04336 3.92847 2.57875 -51.70204 1257.24433
975.0000 -56.69885 -53.06944 3.62941 2.48606 -52.49450 1181.38244
980.0000 -54.94737 -51.91084 3.03652 2.43890 -52.89768 1030.39473
985.0000 -55.58758 -51.71567 3.87192 2.57989 -51.69227 1202.80610
990.0000 -55.66733 -51.92553 3.74180 2.51749 -52.22578 1191.88641
995.0000 -55.73185 -51.02693 4.70492 2.65302 -51.06702 1247.89113
1000.0000 -56.32970 -52.77679 3.55291 2.56110 -51.85290 1160.58025
FREEZING PROCESS: loop number 5 T-loop= 1110.0000000000000
main_MD> interactions number 5 at Temperature= 1110.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39843 -0.25764 -0.48507
force_rgl> df(natom) 3.14452 0.39129 0.79183
1005.0000 -56.51317 -53.36725 3.14592 2.35687 -53.59901 940.20962
1010.0000 -56.44688 -52.56759 3.87929 2.47010 -52.63091 1110.81187
1015.0000 -55.96851 -51.91631 4.05220 2.52561 -52.15631 1145.08102
1020.0000 -56.17736 -52.91848 3.25888 2.52957 -52.12250 1151.78639
1025.0000 -56.32072 -53.18560 3.13512 2.44561 -52.84033 1070.88151
1030.0000 -55.79158 -51.35500 4.43658 2.49882 -52.38543 1090.49692
1035.0000 -56.77898 -52.66867 4.11031 2.55612 -51.89548 1165.87484
1040.0000 -57.43962 -53.68639 3.75323 2.37041 -53.48328 997.60481
1045.0000 -56.47660 -52.49066 3.98594 2.36905 -53.49487 1007.74281
1050.0000 -56.09965 -52.70661 3.39304 2.45375 -52.77077 1087.88552
1055.0000 -56.71934 -53.27012 3.44922 2.39930 -53.23628 1007.47879
1060.0000 -57.04070 -53.72603 3.31467 2.36398 -53.53826 979.37294
1065.0000 -56.14213 -53.47108 2.67105 2.35319 -53.63049 984.30271
1070.0000 -56.95825 -53.10905 3.84920 2.40589 -53.17992 1043.76740
1075.0000 -56.71372 -53.35458 3.35914 2.39922 -53.23692 1092.69508
1080.0000 -57.38662 -53.82713 3.55949 2.34636 -53.68893 972.48395
1085.0000 -57.06894 -53.97055 3.09839 2.41417 -53.10916 1059.94743
1090.0000 -58.34538 -56.25325 2.09214 2.12103 -55.61541 791.57569
1095.0000 -57.65827 -55.01430 2.64396 2.14729 -55.39094 774.60689
1100.0000 -57.03754 -53.65006 3.38748 2.31913 -53.92171 979.49109
1105.0000 -58.09723 -55.02555 3.07168 2.24911 -54.52040 915.58686
1110.0000 -56.38652 -53.57136 2.81516 2.30849 -54.01271 907.24818
1115.0000 -56.83606 -52.87748 3.95857 2.37471 -53.44651 1000.76328
1120.0000 -56.67645 -53.52769 3.14876 2.36239 -53.55186 1009.66635
1125.0000 -56.68330 -54.02515 2.65815 2.32383 -53.88150 962.28673
1130.0000 -57.61515 -54.39008 3.22507 2.28515 -54.21226 939.96195
1135.0000 -56.94489 -54.28736 2.65753 2.25156 -54.49941 876.29861
1140.0000 -55.52431 -53.64987 1.87444 2.32301 -53.88857 969.36285
1145.0000 -55.56994 -52.25327 3.31667 2.41943 -53.06416 1062.35964
1150.0000 -57.16625 -54.13119 3.03506 2.44126 -52.87755 1054.41776
1155.0000 -56.59177 -53.95962 2.63216 2.31899 -53.92288 966.90122
1160.0000 -57.51361 -54.04522 3.46839 2.28881 -54.18095 942.51753
1165.0000 -55.84046 -52.10301 3.73745 2.44979 -52.80461 1066.69649
1170.0000 -55.18548 -50.86440 4.32109 2.60215 -51.50196 1263.51270
1175.0000 -55.94565 -51.70552 4.24014 2.63663 -51.20711 1259.14641
1180.0000 -56.31985 -53.21190 3.10794 2.56871 -51.78788 1142.85565
1185.0000 -55.97910 -52.87278 3.10632 2.43345 -52.94428 1062.74982
1190.0000 -56.25008 -53.08066 3.16942 2.44250 -52.86692 1051.26571
1195.0000 -56.21398 -51.12052 5.09346 2.46358 -52.68669 1091.57715
1200.0000 -56.26618 -52.74016 3.52603 2.50193 -52.35881 1195.17271
1205.0000 -56.17784 -53.32401 2.85383 2.51646 -52.23457 1136.31583
1210.0000 -56.43904 -53.11322 3.32582 2.43546 -52.92714 1045.51252
1215.0000 -56.42412 -52.37937 4.04476 2.40136 -53.21862 984.13607
1220.0000 -56.96871 -53.65541 3.31330 2.40912 -53.15230 1025.47685
1225.0000 -57.00131 -54.22996 2.77134 2.28676 -54.19851 980.28061
1230.0000 -56.72717 -54.00801 2.71916 2.30256 -54.06342 965.98324
1235.0000 -56.29320 -53.28439 3.00881 2.42221 -53.04041 1046.64049
1240.0000 -57.20549 -53.16834 4.03715 2.39231 -53.29604 1066.86929
1245.0000 -57.28524 -53.18758 4.09766 2.40075 -53.22386 1019.53377
1250.0000 -55.70161 -52.55778 3.14384 2.45068 -52.79698 1047.41433
FREEZING PROCESS: loop number 6 T-loop= 1085.0000000000000
main_MD> interactions number 6 at Temperature= 1085.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08983 -2.24873 4.33302
force_rgl> df(natom) -2.52720 2.47468 -0.27872
1255.0000 -55.90006 -52.06201 3.83805 2.55911 -51.86988 1147.18294
1260.0000 -55.79980 -53.43996 2.35984 2.47917 -52.55338 1068.89977
1265.0000 -56.79360 -53.50647 3.28713 2.35175 -53.64278 979.81293
1270.0000 -56.51007 -53.54330 2.96677 2.30067 -54.07953 947.73320
1275.0000 -55.89770 -51.64019 4.25750 2.45322 -52.77530 1099.36905
1280.0000 -56.85679 -53.43908 3.41770 2.44445 -52.85022 1064.81646
1285.0000 -57.96780 -54.43248 3.53532 2.35204 -53.64035 1025.15406
1290.0000 -57.03469 -52.27645 4.75824 2.32370 -53.88266 965.74866
1295.0000 -55.43908 -52.51400 2.92508 2.47699 -52.57201 1142.74910
1300.0000 -55.83543 -52.57554 3.25989 2.50021 -52.37348 1125.55897
1305.0000 -56.61353 -52.82975 3.78379 2.42377 -53.02708 1097.72261
1310.0000 -57.38083 -54.82703 2.55379 2.32659 -53.85790 990.82391
1315.0000 -56.48327 -53.70467 2.77860 2.33002 -53.82862 956.08072
1320.0000 -56.11748 -52.35600 3.76148 2.42054 -53.05464 989.69484
1325.0000 -56.47521 -51.10908 5.36613 2.62881 -51.27401 1274.15958
1330.0000 -57.20859 -53.17110 4.03749 2.53385 -52.08588 1176.42429
1335.0000 -56.01339 -51.82948 4.18391 2.53343 -52.08952 1133.86555
1340.0000 -55.84153 -52.46427 3.37725 2.52522 -52.15965 1107.14252
1345.0000 -55.95271 -52.83687 3.11585 2.42529 -53.01405 1058.02471
1350.0000 -57.13218 -54.47031 2.66186 2.41558 -53.09709 1079.07577
1355.0000 -56.30805 -52.92784 3.38021 2.34636 -53.68892 973.75713
1360.0000 -56.75578 -53.79592 2.95986 2.33919 -53.75022 971.62188
1365.0000 -56.18445 -52.78122 3.40323 2.40983 -53.14626 982.25188
1370.0000 -55.62585 -51.58523 4.04062 2.48972 -52.46321 1117.90836
1375.0000 -55.57145 -52.85130 2.72015 2.46382 -52.68464 1064.27620
1380.0000 -56.09270 -53.26274 2.82996 2.36388 -53.53907 939.31802
1385.0000 -57.26658 -53.74084 3.52574 2.33803 -53.76015 959.25309
1390.0000 -56.57998 -53.35510 3.22488 2.40484 -53.18891 1053.24236
1395.0000 -55.40567 -51.59091 3.81477 2.47630 -52.57790 1094.23246
1400.0000 -55.36092 -50.91294 4.44798 2.61369 -51.40326 1161.56369
1405.0000 -55.69243 -52.16911 3.52332 2.64795 -51.11034 1220.41920
1410.0000 -56.03064 -52.97195 3.05869 2.45004 -52.80249 1020.04198
1415.0000 -56.50144 -53.24308 3.25836 2.40516 -53.18619 1038.79588
1420.0000 -55.64397 -52.00307 3.64090 2.49505 -52.41758 1119.28506
1425.0000 -54.69571 -50.01344 4.68227 2.66148 -50.99469 1290.15179
1430.0000 -55.64432 -51.81514 3.82919 2.68102 -50.82762 1250.03189
1435.0000 -54.96066 -51.78899 3.17167 2.60545 -51.47375 1178.03596
1440.0000 -55.56299 -51.65169 3.91130 2.56077 -51.85575 1130.08856
1445.0000 -56.31977 -52.90954 3.41023 2.54567 -51.98481 1142.53117
1450.0000 -56.99730 -53.52991 3.46739 2.40886 -53.15453 1081.71424
1455.0000 -56.75019 -53.25504 3.49516 2.37026 -53.48459 994.73533
1460.0000 -56.54060 -53.50148 3.03912 2.39283 -53.29157 1044.51110
1465.0000 -56.22020 -52.00361 4.21659 2.52174 -52.18940 1135.48446
1470.0000 -57.00718 -54.29309 2.71410 2.38677 -53.34344 1028.58612
1475.0000 -55.42921 -52.30068 3.12853 2.42526 -53.01433 1065.90454
1480.0000 -56.04805 -52.33279 3.71527 2.51789 -52.22234 1124.25954
1485.0000 -55.57806 -52.65290 2.92516 2.52658 -52.14809 1145.10227
1490.0000 -55.91309 -53.00162 2.91147 2.48973 -52.46309 1139.45783
1495.0000 -56.05201 -53.53696 2.51504 2.37498 -53.44420 1001.32234
1500.0000 -57.20426 -53.38399 3.82027 2.38826 -53.33069 1054.19818
FREEZING PROCESS: loop number 7 T-loop= 1060.0000000000000
main_MD> interactions number 7 at Temperature= 1060.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.06206 -3.78373 -2.61731
force_rgl> df(natom) -6.14528 0.47729 -0.45581
1505.0000 -55.64410 -52.37168 3.27242 2.45884 -52.72725 1090.54497
1510.0000 -56.83453 -52.97543 3.85909 2.40785 -53.16319 1070.25783
1515.0000 -55.70381 -53.10492 2.59889 2.43324 -52.94608 1046.23294
1520.0000 -56.01609 -52.39885 3.61724 2.46623 -52.66405 1046.01237
1525.0000 -55.51502 -52.17933 3.33569 2.50388 -52.34210 1116.80901
1530.0000 -56.34806 -51.88074 4.46732 2.51810 -52.22057 1176.12940
1535.0000 -55.30658 -51.85680 3.44978 2.46147 -52.70474 1108.56749
1540.0000 -56.47015 -53.78512 2.68503 2.41650 -53.08923 1010.33135
1545.0000 -56.26024 -53.14190 3.11834 2.41730 -53.08235 978.91715
1550.0000 -56.98265 -54.02786 2.95479 2.43792 -52.90605 1057.26705
1555.0000 -57.50447 -53.80073 3.70374 2.29295 -54.14555 985.52582
1560.0000 -57.22307 -53.82802 3.39504 2.35556 -53.61025 958.76177
1565.0000 -56.29982 -53.11037 3.18944 2.33818 -53.75884 1021.85508
1570.0000 -55.51750 -51.75522 3.76229 2.48536 -52.50045 1110.66484
1575.0000 -56.88311 -54.06277 2.82034 2.37480 -53.44573 1012.45700
1580.0000 -57.84580 -55.25402 2.59178 2.26663 -54.37063 923.08690
1585.0000 -56.59303 -53.82474 2.76829 2.25307 -54.48649 880.34736
1590.0000 -56.41098 -53.45389 2.95709 2.28715 -54.19511 969.65476
1595.0000 -57.29251 -53.05139 4.24113 2.40793 -53.16252 997.72463
1600.0000 -56.46926 -52.84565 3.62361 2.41800 -53.07637 1043.91357
1605.0000 -56.69998 -53.74882 2.95116 2.32861 -53.84065 968.58587
1610.0000 -57.94640 -54.66101 3.28539 2.29985 -54.08656 968.15085
1615.0000 -56.52909 -53.09644 3.43265 2.34711 -53.68246 1041.24127
1620.0000 -56.31475 -52.45095 3.86380 2.52437 -52.16694 1211.48892
1625.0000 -57.05855 -53.45725 3.60129 2.43883 -52.89831 1111.82711
1630.0000 -57.11007 -53.85151 3.25856 2.31544 -53.95323 933.19000
1635.0000 -55.71440 -51.64223 4.07217 2.40123 -53.21976 1079.29447
1640.0000 -56.05367 -52.90252 3.15115 2.51728 -52.22760 1061.43327
1645.0000 -56.27029 -52.02561 4.24468 2.40780 -53.16357 1084.56200
1650.0000 -55.11493 -51.60606 3.50886 2.56627 -51.80867 1222.54923
1655.0000 -56.32602 -52.36599 3.96003 2.50065 -52.36975 1142.31189
1660.0000 -57.32573 -53.21577 4.10996 2.45808 -52.73369 1095.93393
1665.0000 -56.30517 -52.90419 3.40098 2.45422 -52.76669 1114.94840
1670.0000 -55.65290 -52.09882 3.55408 2.44736 -52.82539 1052.66396
1675.0000 -56.90717 -54.24081 2.66636 2.47287 -52.60722 1143.60292
1680.0000 -57.85643 -55.26276 2.59367 2.26874 -54.35253 905.98098
1685.0000 -56.72988 -53.46660 3.26327 2.22459 -54.73002 879.81105
1690.0000 -57.22373 -54.12430 3.09942 2.36502 -53.52934 1062.32007
1695.0000 -56.21201 -52.15744 4.05457 2.40379 -53.19786 1015.21628
1700.0000 -55.51893 -51.89219 3.62673 2.53558 -52.07107 1143.22945
1705.0000 -57.18619 -54.32264 2.86355 2.46400 -52.68307 1046.58312
1710.0000 -55.90462 -52.32085 3.58377 2.35999 -53.57239 939.51518
1715.0000 -55.09895 -52.48818 2.61077 2.44592 -52.83771 1114.93941
1720.0000 -55.70999 -51.01948 4.69051 2.57456 -51.73780 1199.80831
1725.0000 -57.04024 -54.44261 2.59762 2.45736 -52.73987 1031.14645
1730.0000 -56.76316 -54.32155 2.44161 2.30142 -54.07317 902.34908
1735.0000 -57.01081 -53.70398 3.30683 2.27115 -54.33195 864.48778
1740.0000 -56.59025 -53.49719 3.09306 2.35581 -53.60814 923.81355
1745.0000 -57.02348 -53.65384 3.36964 2.38975 -53.31793 1070.36827
1750.0000 -57.19636 -53.72311 3.47325 2.29125 -54.16011 966.57334
FREEZING PROCESS: loop number 8 T-loop= 1035.0000000000000
main_MD> interactions number 8 at Temperature= 1035.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77370 -0.43817 1.24701
force_rgl> df(natom) -0.97714 -1.96631 -0.62413
1755.0000 -57.47125 -53.78178 3.68948 2.32401 -53.88000 938.19362
1760.0000 -56.95651 -54.17158 2.78494 2.23955 -54.60211 897.17702
1765.0000 -56.95202 -53.72981 3.22221 2.28449 -54.21792 988.44785
1770.0000 -57.59137 -53.50077 4.09060 2.34723 -53.68148 1024.92347
1775.0000 -55.97258 -52.60949 3.36309 2.44409 -52.85331 1057.41939
1780.0000 -56.13327 -52.59638 3.53689 2.50507 -52.33197 1190.79664
1785.0000 -55.52476 -52.39964 3.12513 2.46361 -52.68641 1066.28952
1790.0000 -56.33672 -53.36654 2.97018 2.47077 -52.62522 1050.42007
1795.0000 -57.15863 -53.95811 3.20052 2.40228 -53.21084 1067.63726
1800.0000 -56.99306 -54.06361 2.92945 2.30486 -54.04372 931.75642
1805.0000 -57.28379 -53.87909 3.40471 2.34389 -53.71000 998.93044
1810.0000 -56.68662 -53.37182 3.31480 2.35314 -53.63091 1069.82135
1815.0000 -55.49157 -52.68189 2.80968 2.37164 -53.47281 1001.53236
1820.0000 -56.30178 -53.08109 3.22069 2.41738 -53.08173 964.74546
1825.0000 -55.43936 -53.38867 2.05069 2.40305 -53.20421 991.91005
1830.0000 -56.01517 -52.62822 3.38695 2.41245 -53.12385 981.14783
1835.0000 -57.40264 -54.54300 2.85964 2.37468 -53.44677 964.45601
1840.0000 -57.68244 -54.34599 3.33644 2.28763 -54.19107 913.12731
1845.0000 -55.77826 -51.56338 4.21488 2.44726 -52.82622 1132.31977
1850.0000 -56.18426 -51.90674 4.27752 2.53494 -52.07657 1141.94305
1855.0000 -56.28829 -53.04851 3.23978 2.47588 -52.58153 1137.51509
1860.0000 -56.91024 -53.22027 3.68998 2.39759 -53.25092 1031.99572
1865.0000 -55.42006 -52.18591 3.23415 2.42885 -52.98363 1059.69083
1870.0000 -56.62020 -52.73157 3.88862 2.42538 -53.01332 1045.95837
1875.0000 -56.34111 -52.12661 4.21450 2.47557 -52.58414 1121.92045
1880.0000 -55.26344 -51.69238 3.57106 2.56794 -51.79442 1153.73605
1885.0000 -57.02493 -53.25792 3.76702 2.36207 -53.55456 1024.69695
1890.0000 -56.36883 -52.66299 3.70584 2.46497 -52.67481 1123.14313
1895.0000 -57.65093 -53.77092 3.88001 2.41983 -53.06071 1070.90806
1900.0000 -57.32386 -54.36113 2.96273 2.30936 -54.00525 923.73075
1905.0000 -56.08222 -51.92214 4.16008 2.40916 -53.15201 1056.49515
1910.0000 -56.41629 -53.32140 3.09489 2.40633 -53.17616 1036.53146
1915.0000 -57.12589 -53.83594 3.28995 2.39570 -53.26710 1022.77718
1920.0000 -55.25409 -52.34874 2.90536 2.33520 -53.78432 976.12246
1925.0000 -56.38594 -52.42443 3.96151 2.47857 -52.55856 1043.38505
1930.0000 -56.45616 -52.95389 3.50227 2.44837 -52.81671 1048.36912
1935.0000 -57.11441 -53.37897 3.73544 2.47375 -52.59974 1127.49822
1940.0000 -56.33710 -53.14271 3.19438 2.42496 -53.01684 1027.33043
1945.0000 -57.68152 -55.21708 2.46443 2.33892 -53.75256 959.81538
1950.0000 -57.11339 -54.67414 2.43925 2.13059 -55.53370 762.90241
1955.0000 -56.24344 -53.02872 3.21473 2.44981 -52.80442 1093.86538
1960.0000 -55.48848 -52.51084 2.97763 2.40870 -53.15588 1038.17843
1965.0000 -55.88358 -52.49802 3.38557 2.44654 -52.83235 1041.85599
1970.0000 -57.13547 -52.59944 4.53603 2.44929 -52.80889 1133.98181
1975.0000 -56.24930 -52.62332 3.62599 2.45653 -52.74692 1089.41856
1980.0000 -56.83974 -53.80057 3.03916 2.41859 -53.07132 1034.83937
1985.0000 -56.70193 -53.29555 3.40638 2.34180 -53.72785 952.40295
1990.0000 -57.00203 -53.57353 3.42849 2.35618 -53.60496 1030.75499
1995.0000 -56.45295 -52.45942 3.99353 2.39082 -53.30877 1051.41297
2000.0000 -56.94879 -53.60916 3.33963 2.45723 -52.74101 1128.77253
FREEZING PROCESS: loop number 9 T-loop= 1010.0000000000000
main_MD> interactions number 9 at Temperature= 1010.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.93941 0.81749 -2.37672
force_rgl> df(natom) -2.45024 5.35157 1.56154
2005.0000 -56.18692 -53.56502 2.62190 2.36161 -53.55849 975.06230
2010.0000 -56.34981 -53.71072 2.63909 2.34020 -53.74161 1012.62357
2015.0000 -56.77403 -53.02668 3.74735 2.41152 -53.13181 1023.14228
2020.0000 -57.24306 -54.06295 3.18011 2.38644 -53.34620 973.51684
2025.0000 -57.18477 -54.02971 3.15506 2.29730 -54.10832 925.52548
2030.0000 -56.17197 -53.44685 2.72511 2.34022 -53.74142 958.65496
2035.0000 -56.63950 -53.74247 2.89703 2.31931 -53.92018 973.55857
2040.0000 -56.59070 -53.96452 2.62618 2.32810 -53.84501 944.39866
2045.0000 -57.27105 -55.11123 2.15982 2.29457 -54.13169 905.44734
2050.0000 -56.08030 -52.81768 3.26262 2.32334 -53.88575 888.36060
2055.0000 -55.70573 -52.94254 2.76319 2.45310 -52.77630 1032.74105
2060.0000 -55.89918 -52.99803 2.90115 2.39348 -53.28603 1054.04854
2065.0000 -56.32966 -53.59945 2.73021 2.43845 -52.90154 1066.06879
2070.0000 -57.51089 -53.73168 3.77921 2.31428 -53.96320 969.00515
2075.0000 -56.36515 -53.46436 2.90079 2.32349 -53.88445 878.97613
2080.0000 -56.62236 -53.42535 3.19701 2.38739 -53.33814 983.77696
2085.0000 -57.24940 -52.39628 4.85312 2.47380 -52.59927 1131.38049
2090.0000 -57.05849 -53.76172 3.29677 2.42932 -52.97961 1061.10979
2095.0000 -57.46420 -53.71152 3.75268 2.36467 -53.53234 1014.79540
2100.0000 -56.95627 -53.30191 3.65436 2.32610 -53.86216 944.75853
2105.0000 -56.79847 -53.65311 3.14536 2.40238 -53.20997 1026.02871
2110.0000 -56.24506 -52.29879 3.94627 2.34156 -53.72997 1024.17837
2115.0000 -56.65024 -54.30621 2.34404 2.38074 -53.39496 965.87050
2120.0000 -56.80684 -54.32136 2.48548 2.31183 -53.98409 926.59429
2125.0000 -57.50636 -54.01878 3.48759 2.26838 -54.35566 879.23077
2130.0000 -55.12052 -51.73901 3.38150 2.44349 -52.85842 1056.58924
2135.0000 -57.24533 -53.70944 3.53589 2.45339 -52.77382 1062.30088
2140.0000 -55.60138 -52.28604 3.31533 2.39022 -53.31393 1017.27698
2145.0000 -55.68683 -52.13898 3.54785 2.55793 -51.88004 1167.81282
2150.0000 -56.10046 -51.98906 4.11140 2.54395 -51.99957 1148.29961
2155.0000 -56.60006 -52.14504 4.45502 2.51086 -52.28241 1112.05627
2160.0000 -55.52523 -51.45347 4.07177 2.53152 -52.10579 1143.71808
2165.0000 -55.84741 -52.99689 2.85052 2.47556 -52.58430 1072.76917
2170.0000 -56.71831 -54.00415 2.71416 2.38973 -53.31806 1104.49277
2175.0000 -57.54568 -53.99475 3.55093 2.34108 -53.73401 990.16612
2180.0000 -57.63952 -54.34774 3.29178 2.29483 -54.12948 927.07619
2185.0000 -57.36820 -53.49928 3.86892 2.27186 -54.32584 873.30074
2190.0000 -56.68898 -54.14150 2.54748 2.31363 -53.96878 924.08063
2195.0000 -57.72191 -53.41494 4.30697 2.35828 -53.58699 1011.92202
2200.0000 -55.75359 -52.32023 3.43335 2.43822 -52.90354 1078.14028
2205.0000 -56.68602 -53.40983 3.27619 2.47725 -52.56981 1040.76729
2210.0000 -56.57359 -52.66947 3.90412 2.44006 -52.88776 1031.09605
2215.0000 -55.92590 -52.80430 3.12160 2.44408 -52.85340 1061.14915
2220.0000 -56.09559 -52.66774 3.42785 2.43660 -52.91732 1076.90362
2225.0000 -57.95547 -54.23264 3.72283 2.37436 -53.44952 1056.60079
2230.0000 -55.88806 -52.61842 3.26964 2.36590 -53.52180 1019.47321
2235.0000 -57.01030 -53.39449 3.61580 2.41693 -53.08550 1041.38531
2240.0000 -56.85645 -53.53875 3.31770 2.43505 -52.93063 1081.59425
2245.0000 -57.85795 -54.68375 3.17420 2.32213 -53.89610 997.06097
2250.0000 -57.88918 -55.54917 2.34001 2.14342 -55.42404 815.75721
FREEZING PROCESS: loop number 10 T-loop= 985.00000000000000
main_MD> interactions number 10 at Temperature= 985.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21622 2.07598 -1.20714
force_rgl> df(natom) -1.39845 1.12399 1.92906
2255.0000 -56.23091 -53.38334 2.84758 2.21474 -54.81421 842.41547
2260.0000 -56.77039 -52.59789 4.17250 2.46461 -52.67785 1084.91730
2265.0000 -57.12651 -54.29059 2.83592 2.37999 -53.40141 1052.50898
2270.0000 -56.17710 -52.75436 3.42274 2.35504 -53.61473 944.74810
2275.0000 -57.16346 -53.96825 3.19521 2.36539 -53.52622 1001.86773
2280.0000 -58.29095 -55.14718 3.14377 2.28639 -54.20167 950.50828
2285.0000 -56.69644 -53.67634 3.02010 2.28189 -54.24015 937.41731
2290.0000 -56.79809 -53.44365 3.35444 2.34930 -53.66380 1015.98035
2295.0000 -56.03134 -52.89681 3.13453 2.41649 -53.08933 1071.16205
2300.0000 -57.23042 -53.39143 3.83899 2.40454 -53.19151 1057.11001
2305.0000 -57.44722 -55.14581 2.30142 2.32352 -53.88417 966.89483
2310.0000 -57.24565 -54.71743 2.52822 2.21560 -54.80689 851.14507
2315.0000 -57.67390 -54.99795 2.67594 2.20192 -54.92382 848.84671
2320.0000 -56.32095 -53.63665 2.68430 2.26500 -54.38450 901.15671
2325.0000 -56.36286 -53.51988 2.84297 2.31559 -53.95196 1002.91233
2330.0000 -56.98784 -53.23727 3.75057 2.33948 -53.74775 963.07579
2335.0000 -56.76097 -52.08409 4.67688 2.44101 -52.87970 1109.20635
2340.0000 -57.20490 -53.63544 3.56946 2.41364 -53.11369 1087.87299
2345.0000 -56.65564 -53.45741 3.19822 2.29679 -54.11274 928.67690
2350.0000 -56.98207 -53.67034 3.31173 2.33459 -53.78957 971.09431
2355.0000 -56.83185 -53.27041 3.56143 2.37725 -53.42479 1076.94827
2360.0000 -55.46514 -52.03157 3.43357 2.48330 -52.51810 1092.65857
2365.0000 -56.22011 -52.98181 3.23829 2.44110 -52.87890 1072.59085
2370.0000 -54.89087 -51.70834 3.18253 2.51310 -52.26326 1123.44296
2375.0000 -56.68407 -53.42847 3.25560 2.51060 -52.28471 1161.62093
2380.0000 -57.12119 -54.00996 3.11123 2.39133 -53.30440 1070.65344
2385.0000 -57.09119 -53.11529 3.97591 2.30703 -54.02513 947.91958
2390.0000 -56.32288 -53.80713 2.51575 2.39889 -53.23976 1086.84441
2395.0000 -57.34905 -53.46585 3.88320 2.33353 -53.79862 932.42996
2400.0000 -57.83529 -54.15698 3.67831 2.29605 -54.11907 892.91933
2405.0000 -57.06347 -53.84751 3.21596 2.30344 -54.05585 969.41718
2410.0000 -57.46969 -52.98120 4.48849 2.33038 -53.82553 973.81579
2415.0000 -55.76042 -52.02915 3.73127 2.48934 -52.46641 1102.85592
2420.0000 -54.51063 -51.51108 2.99955 2.55182 -51.93223 1123.00142
2425.0000 -56.81474 -53.26584 3.54890 2.47760 -52.56681 1059.51949
2430.0000 -56.93698 -54.32433 2.61265 2.35994 -53.57278 982.53092
2435.0000 -57.14661 -54.76542 2.38119 2.17925 -55.11771 885.18636
2440.0000 -56.53275 -54.02286 2.50989 2.30889 -54.00925 1041.19261
2445.0000 -56.96477 -54.03181 2.93296 2.32630 -53.86040 965.20180
2450.0000 -57.13470 -53.64780 3.48690 2.35246 -53.63675 1022.24761
2455.0000 -57.05509 -54.24295 2.81214 2.30436 -54.04803 973.69833
2460.0000 -57.28158 -54.33611 2.94547 2.33606 -53.77694 963.95072
2465.0000 -56.16412 -53.27374 2.89038 2.33409 -53.79383 995.30675
2470.0000 -56.23477 -53.16155 3.07322 2.36830 -53.50131 1045.39323
2475.0000 -57.26479 -53.52172 3.74307 2.45120 -52.79250 1079.44897
2480.0000 -55.95777 -52.34751 3.61026 2.38698 -53.34158 1040.34872
2485.0000 -56.57962 -52.92244 3.65717 2.56988 -51.77785 1254.50875
2490.0000 -55.80445 -52.79551 3.00894 2.44653 -52.83244 1037.56414
2495.0000 -57.45267 -54.89372 2.55895 2.33302 -53.80297 978.43987
2500.0000 -58.02117 -55.56148 2.45969 2.21168 -54.84036 850.75521
FREEZING PROCESS: loop number 11 T-loop= 960.00000000000000
main_MD> interactions number 11 at Temperature= 960.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42927 -0.12183 1.11566
force_rgl> df(natom) -0.11875 -2.71513 1.59430
2505.0000 -57.61623 -55.47848 2.13776 2.15627 -55.31419 839.71568
2510.0000 -56.96013 -53.93267 3.02746 2.21490 -54.81285 921.25594
2515.0000 -57.41552 -53.26500 4.15052 2.29742 -54.10731 915.17093
2520.0000 -56.95372 -54.23002 2.72369 2.33248 -53.80757 977.81778
2525.0000 -56.73729 -54.37111 2.36617 2.28641 -54.20150 944.66935
2530.0000 -58.40263 -54.90472 3.49791 2.29952 -54.08939 948.56043
2535.0000 -57.54507 -55.12996 2.41511 2.16703 -55.22212 823.08779
2540.0000 -58.20870 -55.34913 2.85956 2.15243 -55.34701 791.77879
2545.0000 -57.31813 -53.86072 3.45741 2.25052 -54.50835 911.14256
2550.0000 -56.98826 -54.00205 2.98622 2.28267 -54.23343 944.75856
2555.0000 -56.64688 -53.92074 2.72614 2.34753 -53.67886 1005.25378
2560.0000 -58.13477 -55.67656 2.45821 2.16494 -55.24004 802.30095
2565.0000 -57.35530 -54.20904 3.14626 2.24904 -54.52099 927.20490
2570.0000 -57.85708 -54.95271 2.90436 2.25403 -54.47828 909.98814
2575.0000 -58.23235 -55.65613 2.57623 2.17841 -55.12486 810.47617
2580.0000 -58.05379 -55.00161 3.05218 2.16146 -55.26978 842.07230
2585.0000 -56.68198 -52.93056 3.75142 2.25914 -54.43460 940.18280
2590.0000 -56.62779 -53.44166 3.18613 2.39027 -53.31349 996.86519
2595.0000 -57.23376 -53.90005 3.33371 2.28946 -54.17537 934.99776
2600.0000 -57.26028 -53.81060 3.44967 2.36088 -53.56475 1032.67045
2605.0000 -56.26455 -53.48363 2.78093 2.37411 -53.45163 991.11551
2610.0000 -57.18567 -53.69815 3.48753 2.44400 -52.85407 1066.69457
2615.0000 -57.65122 -54.15155 3.49967 2.34566 -53.69487 967.39133
2620.0000 -57.33723 -54.74950 2.58774 2.22935 -54.68931 879.91149
2625.0000 -57.24294 -54.30497 2.93797 2.32574 -53.86519 958.28477
2630.0000 -57.54367 -54.34169 3.20197 2.26820 -54.35713 860.52861
2635.0000 -56.23862 -53.50690 2.73173 2.26153 -54.41416 876.92297
2640.0000 -56.70157 -52.65993 4.04164 2.36496 -53.52990 1035.02484
2645.0000 -57.19513 -54.32812 2.86701 2.34451 -53.70471 928.81649
2650.0000 -57.65572 -55.46588 2.18983 2.23535 -54.63803 887.85297
2655.0000 -57.28487 -55.06252 2.22235 2.20033 -54.93741 832.30682
2660.0000 -57.35748 -54.91992 2.43756 2.22085 -54.76196 801.62558
2665.0000 -57.40426 -54.31586 3.08840 2.22426 -54.73281 868.29981
2670.0000 -57.18978 -53.51621 3.67357 2.29542 -54.12445 993.31228
2675.0000 -56.10619 -53.09570 3.01049 2.38142 -53.38913 1070.28249
2680.0000 -56.98474 -53.99454 2.99020 2.43031 -52.97118 1056.69253
2685.0000 -56.84806 -54.33565 2.51241 2.23008 -54.68308 947.84490
2690.0000 -57.73794 -54.02598 3.71196 2.25343 -54.48347 959.36887
2695.0000 -56.27010 -53.73256 2.53754 2.28760 -54.19127 940.12777
2700.0000 -56.90550 -53.59185 3.31365 2.32264 -53.89171 986.43700
2705.0000 -56.89972 -52.93584 3.96388 2.40762 -53.16512 1047.82804
2710.0000 -55.60024 -51.90226 3.69798 2.55854 -51.87478 1316.23264
2715.0000 -56.36471 -52.66148 3.70323 2.51441 -52.25213 1088.20980
2720.0000 -57.17037 -53.95141 3.21895 2.35440 -53.62016 975.53449
2725.0000 -57.07017 -54.75508 2.31509 2.23450 -54.64533 885.64457
2730.0000 -56.54092 -53.17858 3.36234 2.30773 -54.01918 929.37598
2735.0000 -57.63105 -52.40355 5.22750 2.40236 -53.21014 1063.74500
2740.0000 -56.23382 -53.15118 3.08265 2.45220 -52.78394 1049.04903
2745.0000 -56.60024 -52.85677 3.74347 2.40429 -53.19359 1071.17266
2750.0000 -56.98340 -53.30496 3.67844 2.39792 -53.24803 1068.69428
FREEZING PROCESS: loop number 12 T-loop= 935.00000000000000
main_MD> interactions number 12 at Temperature= 935.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.99075 1.00078 0.47892
force_rgl> df(natom) 0.02384 -4.02694 -2.13985
2755.0000 -56.61986 -52.90415 3.71571 2.37311 -53.46021 1020.47347
2760.0000 -56.82383 -53.23062 3.59320 2.42699 -52.99955 1041.66906
2765.0000 -56.51202 -52.73845 3.77357 2.45906 -52.72533 1053.75545
2770.0000 -56.97622 -55.21491 1.76131 2.31850 -53.92713 928.71899
2775.0000 -57.30517 -53.59905 3.70612 2.27011 -54.34082 895.01240
2780.0000 -57.17731 -53.84232 3.33499 2.29940 -54.09038 952.70393
2785.0000 -57.25098 -54.28574 2.96524 2.28434 -54.21921 939.41558
2790.0000 -56.38636 -54.45808 1.92828 2.24916 -54.51996 848.03614
2795.0000 -57.31993 -54.18604 3.13389 2.33241 -53.80816 976.81818
2800.0000 -57.99341 -54.52301 3.47040 2.27261 -54.31950 904.91905
2805.0000 -57.12817 -53.95878 3.16938 2.30331 -54.05701 955.16156
2810.0000 -56.85303 -52.92501 3.92802 2.37280 -53.46288 1009.21356
2815.0000 -56.92849 -54.14325 2.78524 2.36635 -53.51801 966.26434
2820.0000 -55.65824 -52.85786 2.80038 2.37630 -53.43294 1024.20306
2825.0000 -57.59896 -54.35504 3.24393 2.39985 -53.23156 1027.04799
2830.0000 -56.37997 -53.48643 2.89353 2.25004 -54.51244 943.08860
2835.0000 -57.96728 -55.25166 2.71562 2.22749 -54.70520 885.56394
2840.0000 -58.45163 -54.55092 3.90071 2.19579 -54.97624 838.36440
2845.0000 -57.25181 -54.13288 3.11893 2.19275 -55.00225 859.85133
2850.0000 -56.14775 -52.22007 3.92768 2.36983 -53.48822 1007.85397
2855.0000 -57.40978 -53.78196 3.62782 2.49232 -52.44094 1073.63118
2860.0000 -58.03227 -54.91091 3.12137 2.22186 -54.75333 859.90354
2865.0000 -57.23991 -54.61326 2.62665 2.27395 -54.30804 889.91466
2870.0000 -57.93162 -55.39251 2.53911 2.20504 -54.89716 847.47978
2875.0000 -57.53547 -55.13186 2.40361 2.22039 -54.76593 853.59736
2880.0000 -57.12825 -53.53705 3.59119 2.25943 -54.43218 909.64179
2885.0000 -56.96522 -53.76479 3.20043 2.37582 -53.43706 1030.29969
2890.0000 -55.95863 -52.22411 3.73451 2.40742 -53.16683 1006.36897
2895.0000 -56.80542 -54.46654 2.33888 2.37611 -53.43455 988.94869
2900.0000 -56.39467 -54.14476 2.24992 2.30964 -54.00288 905.61051
2905.0000 -58.09771 -55.30826 2.78946 2.18949 -55.03009 824.53178
2910.0000 -57.31812 -54.55654 2.76158 2.20028 -54.93785 854.04120
2915.0000 -56.30927 -52.81477 3.49451 2.33656 -53.77269 984.96134
2920.0000 -56.53740 -53.13614 3.40125 2.36312 -53.54557 955.26033
2925.0000 -57.14210 -54.28272 2.85938 2.40191 -53.21392 1054.53820
2930.0000 -58.75209 -56.21166 2.54044 2.17936 -55.11674 837.85458
2935.0000 -57.39572 -54.51659 2.87912 2.13884 -55.46316 784.11005
2940.0000 -57.46271 -55.07651 2.38619 2.22210 -54.75135 819.61244
2945.0000 -57.56431 -53.18481 4.37949 2.21697 -54.79514 882.58235
2950.0000 -56.83524 -54.42374 2.41149 2.35574 -53.60870 1021.14533
2955.0000 -57.08224 -54.14767 2.93457 2.36319 -53.54501 981.11396
2960.0000 -55.89017 -53.39497 2.49520 2.37513 -53.44292 1001.89092
2965.0000 -57.05062 -53.68405 3.36657 2.35851 -53.58502 1002.16807
2970.0000 -56.90953 -53.64842 3.26111 2.37733 -53.42409 1010.26187
2975.0000 -55.15132 -52.07880 3.07251 2.43062 -52.96847 1079.67421
2980.0000 -55.62772 -52.09744 3.53028 2.49231 -52.44106 1098.17074
2985.0000 -57.11759 -53.15847 3.95912 2.44162 -52.87446 1075.83136
2990.0000 -57.08207 -53.97668 3.10539 2.34426 -53.70689 1014.76047
2995.0000 -56.90527 -54.54158 2.36369 2.27340 -54.31268 905.09545
3000.0000 -57.48970 -54.77968 2.71002 2.20122 -54.92987 798.99450
FREEZING PROCESS: loop number 13 T-loop= 910.00000000000000
main_MD> interactions number 13 at Temperature= 910.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03339 2.59549 4.20543
force_rgl> df(natom) 2.75198 -0.34635 -2.93409
3005.0000 -57.26739 -54.27712 2.99027 2.21699 -54.79503 857.81457
3010.0000 -57.12247 -54.47862 2.64386 2.31716 -53.93860 943.72255
3015.0000 -57.21282 -54.13847 3.07435 2.25553 -54.46545 880.49706
3020.0000 -56.57407 -54.10126 2.47281 2.32038 -53.91102 950.54481
3025.0000 -56.40100 -52.70752 3.69347 2.35289 -53.63309 970.17793
3030.0000 -56.30076 -53.48651 2.81424 2.40813 -53.16076 1015.50722
3035.0000 -57.03312 -54.58466 2.44845 2.31206 -53.98216 918.02947
3040.0000 -57.58567 -55.02971 2.55596 2.24128 -54.58736 912.20062
3045.0000 -57.79980 -55.01537 2.78443 2.17800 -55.12834 834.27992
3050.0000 -57.32001 -54.65575 2.66425 2.22121 -54.75889 856.93033
3055.0000 -58.08186 -55.91204 2.16983 2.20527 -54.89518 818.26145
3060.0000 -58.34304 -56.46574 1.87730 2.05926 -56.14354 633.29683
3065.0000 -58.16781 -54.85300 3.31481 2.12398 -55.59021 805.49006
3070.0000 -58.38666 -55.13850 3.24816 2.16046 -55.27833 873.42164
3075.0000 -57.91033 -55.04382 2.86651 2.23576 -54.63450 866.41348
3080.0000 -58.08947 -55.50153 2.58794 2.12448 -55.58592 771.14494
3085.0000 -57.81888 -55.09463 2.72425 2.16129 -55.27126 813.73412
3090.0000 -57.25599 -53.70312 3.55288 2.25945 -54.43198 921.66587
3095.0000 -56.68291 -53.96816 2.71474 2.35476 -53.61710 983.56848
3100.0000 -57.07497 -53.94627 3.12870 2.32302 -53.88843 969.96882
3105.0000 -58.27964 -55.58484 2.69480 2.21380 -54.82232 840.83871
3110.0000 -56.62179 -53.24763 3.37416 2.25627 -54.45916 950.22893
3115.0000 -57.53328 -54.58308 2.95020 2.33058 -53.82386 934.53881
3120.0000 -56.36877 -54.08920 2.27957 2.26378 -54.39494 884.31517
3125.0000 -56.61819 -53.60297 3.01522 2.37563 -53.43865 1028.84755
3130.0000 -57.41811 -53.82716 3.59095 2.34123 -53.73274 1036.37158
3135.0000 -57.36121 -53.08102 4.28018 2.35651 -53.60215 987.64530
3140.0000 -56.52350 -53.44584 3.07766 2.42814 -52.98972 1063.91828
3145.0000 -56.83980 -53.19188 3.64792 2.35480 -53.61677 1009.83636
3150.0000 -57.29039 -54.43421 2.85618 2.29664 -54.11403 975.63405
3155.0000 -57.40383 -54.40054 3.00329 2.21202 -54.83749 898.34269
3160.0000 -56.43135 -53.11200 3.31935 2.31250 -53.97839 960.68978
3165.0000 -56.54187 -53.34236 3.19951 2.41046 -53.14082 1005.69734
3170.0000 -56.63185 -52.78939 3.84245 2.42152 -53.04629 1045.03447
3175.0000 -56.01200 -52.18026 3.83173 2.47726 -52.56976 1099.64425
3180.0000 -56.12857 -52.91932 3.20924 2.48872 -52.47176 1053.61337
3185.0000 -56.69974 -53.89093 2.80881 2.35947 -53.57680 969.75620
3190.0000 -56.75758 -54.32481 2.43276 2.28926 -54.17714 897.25182
3195.0000 -56.76998 -53.86342 2.90656 2.31043 -53.99607 970.22614
3200.0000 -57.73504 -54.31604 3.41900 2.35131 -53.64656 995.17944
3205.0000 -57.58868 -55.60647 1.98221 2.14670 -55.39595 777.00077
3210.0000 -57.79733 -55.75141 2.04592 2.09719 -55.81927 742.40521
3215.0000 -58.09083 -54.64271 3.44811 2.17453 -55.15799 833.04283
3220.0000 -57.48211 -55.50060 1.98152 2.22709 -54.70862 852.65565
3225.0000 -57.12952 -54.20576 2.92376 2.15722 -55.30606 773.79821
3230.0000 -58.12100 -55.57434 2.54666 2.16148 -55.26957 800.25797
3235.0000 -57.02443 -54.48730 2.53714 2.15953 -55.28629 810.73053
3240.0000 -57.70889 -54.83359 2.87529 2.30950 -54.00406 895.07128
3245.0000 -57.82548 -55.34266 2.48282 2.21137 -54.84303 887.82759
3250.0000 -56.86128 -54.18969 2.67159 2.22310 -54.74274 920.58333
FREEZING PROCESS: loop number 14 T-loop= 885.00000000000000
main_MD> interactions number 14 at Temperature= 885.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39973 -1.50380 1.63301
force_rgl> df(natom) 1.82071 4.11949 -3.94670
3255.0000 -57.50100 -54.10371 3.39729 2.26399 -54.39313 877.14328
3260.0000 -56.77220 -53.54901 3.22319 2.33714 -53.76769 964.78646
3265.0000 -56.56570 -53.87663 2.68907 2.35000 -53.65775 1008.42251
3270.0000 -57.84239 -54.70590 3.13649 2.27122 -54.33131 865.33240
3275.0000 -56.96426 -54.97489 1.98936 2.19184 -55.01005 854.20909
3280.0000 -58.11079 -55.89601 2.21478 2.12136 -55.61259 736.85058
3285.0000 -57.60177 -55.10150 2.50027 2.18774 -55.04511 819.95566
3290.0000 -58.82446 -56.82102 2.00345 2.08752 -55.90196 735.03096
3295.0000 -58.11252 -56.15927 1.95325 2.08285 -55.94190 712.32474
3300.0000 -57.94566 -55.40180 2.54386 2.04845 -56.23603 709.29685
3305.0000 -56.87618 -54.28203 2.59415 2.24378 -54.56596 885.80159
3310.0000 -57.60986 -54.30674 3.30312 2.31390 -53.96642 959.50700
3315.0000 -57.10536 -54.28378 2.82158 2.32172 -53.89961 978.78106
3320.0000 -57.55002 -54.84332 2.70670 2.17543 -55.15031 786.71241
3325.0000 -58.02855 -55.53220 2.49634 2.22735 -54.70644 862.58728
3330.0000 -58.08961 -54.46945 3.62016 2.17394 -55.16305 808.45119
3335.0000 -57.34593 -54.66113 2.68480 2.28115 -54.24648 922.39061
3340.0000 -55.97383 -53.23165 2.74219 2.31463 -53.96020 947.43141
3345.0000 -56.54195 -53.50789 3.03406 2.39182 -53.30023 942.83847
3350.0000 -57.75813 -54.73125 3.02688 2.32691 -53.85517 999.98330
3355.0000 -57.29539 -54.24306 3.05233 2.28011 -54.25536 935.26150
3360.0000 -56.95111 -53.84039 3.11072 2.33665 -53.77193 976.83352
3365.0000 -57.77673 -54.64033 3.13640 2.34167 -53.72902 986.30499
3370.0000 -57.48387 -54.35821 3.12567 2.23444 -54.64580 906.60002
3375.0000 -57.61762 -54.61940 2.99822 2.24092 -54.59040 852.21352
3380.0000 -56.62857 -53.61099 3.01757 2.27866 -54.26771 919.16633
3385.0000 -57.08915 -55.02911 2.06004 2.27301 -54.31603 874.42681
3390.0000 -57.22519 -54.01511 3.21009 2.23222 -54.66475 823.35350
3395.0000 -57.31813 -55.09364 2.22449 2.23154 -54.67057 835.00746
3400.0000 -58.05495 -55.45040 2.60455 2.13788 -55.47135 756.41297
3405.0000 -57.27153 -54.37125 2.90028 2.23442 -54.64600 884.10161
3410.0000 -57.70633 -54.49924 3.20709 2.22445 -54.73125 920.27860
3415.0000 -57.79520 -54.54729 3.24791 2.27758 -54.27694 892.21582
3420.0000 -57.56929 -54.38189 3.18740 2.21911 -54.77689 877.60135
3425.0000 -56.58141 -54.37088 2.21053 2.28174 -54.24141 941.31059
3430.0000 -57.75238 -55.62995 2.12243 2.17296 -55.17144 769.60160
3435.0000 -58.39696 -56.53342 1.86354 2.06013 -56.13618 718.25975
3440.0000 -57.65666 -55.21214 2.44453 2.08846 -55.89389 745.67898
3445.0000 -58.29486 -56.03911 2.25576 2.12321 -55.59678 773.40099
3450.0000 -58.25170 -56.06352 2.18818 2.10942 -55.71473 742.40162
3455.0000 -58.55014 -55.67788 2.87225 2.11430 -55.67302 786.18439
3460.0000 -57.48318 -55.28413 2.19905 2.11800 -55.64139 753.48123
3465.0000 -58.24849 -56.15780 2.09069 2.14554 -55.40588 786.43543
3470.0000 -58.03672 -55.02291 3.01381 2.14039 -55.44991 823.90573
3475.0000 -57.83782 -55.03136 2.80646 2.17837 -55.12523 850.30274
3480.0000 -57.60563 -55.26498 2.34065 2.17613 -55.14437 802.20538
3485.0000 -57.86012 -55.29088 2.56924 2.16618 -55.22945 796.71931
3490.0000 -57.68515 -54.29123 3.39392 2.26597 -54.37625 955.69898
3495.0000 -56.69323 -54.31503 2.37820 2.22014 -54.76810 890.09684
3500.0000 -56.73827 -53.75349 2.98478 2.25989 -54.42821 852.03009
FREEZING PROCESS: loop number 15 T-loop= 860.00000000000000
main_MD> interactions number 15 at Temperature= 860.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63712 -0.15960 0.20206
force_rgl> df(natom) 0.51336 1.20529 -1.69366
3505.0000 -56.95342 -55.22616 1.72727 2.27746 -54.27796 950.09895
3510.0000 -56.76845 -54.01903 2.74943 2.20796 -54.87219 847.37960
3515.0000 -57.45991 -55.41463 2.04529 2.23017 -54.68235 835.59631
3520.0000 -57.61131 -54.91544 2.69588 2.15443 -55.32990 800.70963
3525.0000 -57.81121 -54.69753 3.11368 2.20095 -54.93211 912.49006
3530.0000 -57.97558 -55.35471 2.62087 2.20965 -54.85775 831.05016
3535.0000 -58.88391 -56.08792 2.79599 2.07036 -56.04866 729.10404
3540.0000 -58.82428 -55.87575 2.94853 2.11447 -55.67152 740.35916
3545.0000 -56.74544 -54.22602 2.51942 2.19543 -54.97932 846.11191
3550.0000 -56.91161 -53.72199 3.18963 2.30539 -54.03919 959.05217
3555.0000 -57.83453 -54.92125 2.91329 2.29971 -54.08773 986.22105
3560.0000 -58.26730 -55.41171 2.85559 2.16086 -55.27491 802.04035
3565.0000 -57.83291 -55.50937 2.32354 2.12223 -55.60517 753.63654
3570.0000 -56.92070 -54.14958 2.77112 2.27006 -54.34125 876.83292
3575.0000 -56.93346 -54.53587 2.39759 2.34609 -53.69119 936.72391
3580.0000 -58.78805 -56.55678 2.23126 2.15638 -55.31320 777.40840
3585.0000 -57.97191 -55.42086 2.55105 2.16176 -55.26723 836.23840
3590.0000 -58.16227 -54.52544 3.63683 2.19163 -55.01187 849.59687
3595.0000 -56.99138 -54.53511 2.45627 2.27978 -54.25815 911.23827
3600.0000 -56.30759 -52.76138 3.54620 2.33948 -53.74774 937.20672
3605.0000 -56.46097 -52.76713 3.69384 2.44628 -52.83463 1068.43303
3610.0000 -56.68480 -53.60377 3.08104 2.41459 -53.10556 986.07552
3615.0000 -56.22905 -53.40724 2.82182 2.40415 -53.19477 1025.15427
3620.0000 -56.57835 -53.15844 3.41991 2.32918 -53.83582 930.13651
3625.0000 -57.35478 -55.32480 2.02998 2.27988 -54.25729 951.58563
3630.0000 -57.43465 -54.65106 2.78359 2.22610 -54.71709 874.27545
3635.0000 -57.18330 -54.72324 2.46006 2.26524 -54.38250 940.42404
3640.0000 -56.98288 -53.45304 3.52984 2.23569 -54.63509 876.68630
3645.0000 -56.00703 -53.16822 2.83881 2.44408 -52.85338 1074.09189
3650.0000 -58.04471 -54.67030 3.37441 2.37401 -53.45253 1007.02795
3655.0000 -58.62962 -55.81949 2.81013 2.15283 -55.34353 799.20319
3660.0000 -58.01137 -54.87351 3.13786 2.12684 -55.56574 776.16474
3665.0000 -57.49484 -54.38702 3.10783 2.29295 -54.14558 962.13508
3670.0000 -56.94383 -54.29945 2.64438 2.26569 -54.37866 881.15153
3675.0000 -57.17608 -54.51043 2.66565 2.22683 -54.71085 867.34975
3680.0000 -56.83812 -54.68268 2.15543 2.26880 -54.35204 876.65666
3685.0000 -57.27222 -54.65009 2.62213 2.25144 -54.50048 854.44543
3690.0000 -57.79373 -55.82692 1.96681 2.15776 -55.30143 789.37395
3695.0000 -58.84185 -56.31006 2.53179 2.07365 -56.02055 723.38618
3700.0000 -57.92666 -55.20634 2.72031 2.12278 -55.60046 794.54312
3705.0000 -57.23460 -54.24170 2.99289 2.16674 -55.22467 829.10480
3710.0000 -57.10393 -54.41259 2.69133 2.24466 -54.55847 855.81261
3715.0000 -57.86935 -54.84127 3.02809 2.26753 -54.36293 875.06132
3720.0000 -58.25845 -55.16480 3.09365 2.14632 -55.39924 795.01132
3725.0000 -57.33771 -54.33492 3.00279 2.22497 -54.72675 848.21461
3730.0000 -57.77593 -55.07839 2.69754 2.23616 -54.63107 880.35438
3735.0000 -58.40855 -55.63227 2.77628 2.16838 -55.21058 822.62576
3740.0000 -57.11858 -54.12031 2.99827 2.22555 -54.72179 876.99154
3745.0000 -56.40591 -53.92085 2.48506 2.32337 -53.88551 989.50266
3750.0000 -58.00714 -54.92418 3.08295 2.27440 -54.30416 936.86918
FREEZING PROCESS: loop number 16 T-loop= 835.00000000000000
main_MD> interactions number 16 at Temperature= 835.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92774 1.03523 1.44072
force_rgl> df(natom) -2.43827 -0.20072 1.69402
3755.0000 -58.05335 -54.69470 3.35865 2.26651 -54.37158 921.33097
3760.0000 -58.55780 -55.62643 2.93136 2.17324 -55.16906 842.86690
3765.0000 -57.89068 -55.02811 2.86256 2.12100 -55.61570 798.53733
3770.0000 -57.64464 -54.98627 2.65837 2.20174 -54.92535 861.09812
3775.0000 -58.00898 -55.36100 2.64798 2.16045 -55.27840 776.56598
3780.0000 -57.49119 -54.87827 2.61292 2.21468 -54.81472 870.11393
3785.0000 -57.60524 -55.64511 1.96013 2.17472 -55.15640 850.50036
3790.0000 -57.35150 -54.56778 2.78372 2.16849 -55.20969 829.79377
3795.0000 -58.79151 -55.91088 2.88064 2.11767 -55.64417 736.89541
3800.0000 -57.98213 -55.01866 2.96347 2.17981 -55.11291 791.65072
3805.0000 -57.82809 -55.63847 2.18962 2.15455 -55.32882 846.66170
3810.0000 -58.64401 -56.33577 2.30824 2.08373 -55.93432 747.96260
3815.0000 -58.09443 -55.98622 2.10821 2.04845 -56.23603 701.84842
3820.0000 -58.82687 -56.49828 2.32859 2.08361 -55.93539 714.22715
3825.0000 -57.89936 -55.49459 2.40476 2.05105 -56.21378 709.27635
3830.0000 -58.01325 -54.98210 3.03115 2.16048 -55.27819 801.05145
3835.0000 -58.17523 -55.81605 2.35918 2.16865 -55.20834 829.82615
3840.0000 -57.33838 -54.02556 3.31283 2.18985 -55.02706 802.47711
3845.0000 -57.31593 -54.55512 2.76081 2.23355 -54.65341 891.21474
3850.0000 -57.82605 -54.07815 3.74791 2.21759 -54.78987 869.13879
3855.0000 -57.44972 -54.35278 3.09694 2.30566 -54.03690 951.73965
3860.0000 -57.64218 -54.76155 2.88063 2.21561 -54.80681 842.49995
3865.0000 -57.94115 -55.62248 2.31867 2.15254 -55.34606 786.50940
3870.0000 -58.39692 -56.14166 2.25526 2.11644 -55.65468 762.59374
3875.0000 -59.32812 -56.86403 2.46409 2.02330 -56.45104 653.59056
3880.0000 -58.04185 -55.11237 2.92948 2.14173 -55.43850 805.36487
3885.0000 -57.22310 -53.67155 3.55156 2.26311 -54.40069 904.84754
3890.0000 -57.47344 -54.76441 2.70902 2.33951 -53.74748 1003.93614
3895.0000 -57.85870 -55.35317 2.50553 2.21329 -54.82661 888.13859
3900.0000 -57.71724 -54.47874 3.23850 2.13114 -55.52901 748.06655
3905.0000 -56.84308 -53.08940 3.75368 2.35229 -53.63823 960.16594
3910.0000 -56.84373 -54.19854 2.64519 2.33293 -53.80370 999.38877
3915.0000 -57.18063 -52.81443 4.36620 2.27427 -54.30527 879.41658
3920.0000 -56.91050 -54.76517 2.14532 2.29954 -54.08925 957.81632
3925.0000 -57.19096 -54.76594 2.42501 2.20313 -54.91347 816.10951
3930.0000 -57.88168 -55.27486 2.60682 2.19562 -54.97767 870.63312
3935.0000 -57.11021 -54.50148 2.60873 2.20285 -54.91589 815.12643
3940.0000 -57.67792 -55.19965 2.47827 2.24571 -54.54947 866.09005
3945.0000 -56.77316 -53.91159 2.86157 2.26504 -54.38416 888.77740
3950.0000 -57.80664 -54.74440 3.06225 2.23591 -54.63323 889.03198
3955.0000 -58.28955 -55.25415 3.03540 2.19058 -55.02077 835.68566
3960.0000 -58.25353 -55.77444 2.47910 2.16539 -55.23619 852.62792
3965.0000 -57.66694 -55.15957 2.50737 2.17773 -55.13068 830.75875
3970.0000 -57.58949 -54.84815 2.74134 2.17562 -55.14875 827.07155
3975.0000 -57.82413 -54.72748 3.09666 2.20413 -54.90496 879.56844
3980.0000 -56.98567 -54.43000 2.55568 2.23924 -54.60477 882.11364
3985.0000 -58.20633 -55.88001 2.32631 2.20985 -54.85603 837.37425
3990.0000 -57.83902 -55.74540 2.09363 2.07552 -56.00458 734.97738
3995.0000 -57.65800 -55.13801 2.51999 2.13158 -55.52523 757.96023
4000.0000 -58.14386 -55.83977 2.30409 2.09399 -55.84667 757.28612
FREEZING PROCESS: loop number 17 T-loop= 810.00000000000000
main_MD> interactions number 17 at Temperature= 810.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26437 1.16845 1.84628
force_rgl> df(natom) -2.24294 -1.32032 -0.59965
4005.0000 -57.47856 -54.71417 2.76440 2.15209 -55.34993 798.88792
4010.0000 -57.11160 -54.50915 2.60245 2.26984 -54.34315 909.54554
4015.0000 -57.28461 -54.55234 2.73227 2.23213 -54.66552 806.08045
4020.0000 -58.06902 -55.45818 2.61084 2.23123 -54.67324 834.86922
4025.0000 -57.97375 -55.79701 2.17674 2.08019 -55.96466 723.16465
4030.0000 -58.37424 -55.70763 2.66661 2.13301 -55.51301 785.73940
4035.0000 -58.19156 -55.88549 2.30607 2.10885 -55.71954 781.98754
4040.0000 -58.68942 -56.69577 1.99365 2.01732 -56.50214 690.14346
4045.0000 -59.00468 -56.09764 2.90704 2.04308 -56.28193 713.26051
4050.0000 -58.63221 -55.95901 2.67320 2.09597 -55.82970 780.10463
4055.0000 -58.48961 -55.54699 2.94262 2.08432 -55.92933 742.79922
4060.0000 -57.21123 -54.35428 2.85696 2.21297 -54.82934 881.76848
4065.0000 -57.73661 -55.46500 2.27161 2.19582 -54.97601 826.15501
4070.0000 -57.99301 -55.95242 2.04059 2.10218 -55.77662 700.82437
4075.0000 -59.27693 -56.63018 2.64675 2.05618 -56.16991 721.25495
4080.0000 -58.54046 -56.46825 2.07221 2.02837 -56.40764 664.93586
4085.0000 -57.87130 -55.26871 2.60259 2.13446 -55.50063 770.00072
4090.0000 -57.52507 -55.33560 2.18947 2.17474 -55.15624 859.12689
4095.0000 -57.57428 -54.95978 2.61450 2.16358 -55.25164 813.52403
4100.0000 -57.87737 -55.91385 1.96352 2.12384 -55.59145 752.18377
4105.0000 -57.72373 -55.12224 2.60149 2.13220 -55.51992 795.63889
4110.0000 -57.25378 -54.96632 2.28746 2.16680 -55.22412 854.23459
4115.0000 -58.76618 -56.79343 1.97275 2.10154 -55.78209 781.83411
4120.0000 -59.21185 -56.64601 2.56585 2.00561 -56.60231 671.90734
4125.0000 -57.93174 -55.63982 2.29191 2.03455 -56.35487 710.58130
4130.0000 -57.12486 -54.75224 2.37262 2.16732 -55.21969 848.86637
4135.0000 -57.20011 -54.69681 2.50330 2.20952 -54.85884 870.99518
4140.0000 -57.69579 -55.28115 2.41464 2.19763 -54.96050 833.86938
4145.0000 -58.39903 -55.23954 3.15950 2.19348 -54.99599 843.34408
4150.0000 -57.64411 -54.88933 2.75478 2.21998 -54.76940 881.68004
4155.0000 -57.24347 -54.47020 2.77327 2.16802 -55.21373 843.68526
4160.0000 -56.75832 -54.32863 2.42969 2.22575 -54.72009 873.96712
4165.0000 -57.52183 -54.69516 2.82667 2.31100 -53.99123 962.44034
4170.0000 -58.69735 -55.23296 3.46439 2.20274 -54.91684 823.33699
4175.0000 -58.39598 -55.54588 2.85011 2.12653 -55.56840 786.89043
4180.0000 -58.09113 -55.46461 2.62652 2.07756 -55.98711 760.75361
4185.0000 -58.39211 -56.08692 2.30519 2.09674 -55.82316 779.29449
4190.0000 -58.00761 -54.37641 3.63120 2.14667 -55.39623 767.44216
4195.0000 -56.62122 -54.49773 2.12349 2.26926 -54.34809 891.29684
4200.0000 -57.83319 -54.76894 3.06425 2.25490 -54.47089 893.43167
4205.0000 -58.29534 -55.97048 2.32486 2.12852 -55.55141 821.81010
4210.0000 -57.63714 -55.02079 2.61635 2.19319 -54.99851 849.65097
4215.0000 -56.94194 -54.29821 2.64373 2.20026 -54.93805 815.66406
4220.0000 -58.47851 -55.36687 3.11164 2.24857 -54.52498 884.80262
4225.0000 -58.14235 -54.98660 3.15575 2.21124 -54.84418 843.40075
4230.0000 -57.05839 -54.83056 2.22783 2.15843 -55.29564 786.75746
4235.0000 -57.07388 -54.85622 2.21766 2.23826 -54.61312 889.99145
4240.0000 -58.05941 -55.16152 2.89788 2.21092 -54.84694 835.81564
4245.0000 -57.57390 -54.20729 3.36661 2.21082 -54.84778 855.82406
4250.0000 -57.07480 -54.16218 2.91262 2.27703 -54.28171 884.87167
FREEZING PROCESS: loop number 18 T-loop= 785.00000000000000
main_MD> interactions number 18 at Temperature= 785.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53488 -0.81909 0.51632
force_rgl> df(natom) 0.31818 -3.91602 -1.37493
4255.0000 -57.67380 -55.20170 2.47210 2.21774 -54.78856 872.25891
4260.0000 -58.09929 -56.46194 1.63735 2.12627 -55.57066 789.98803
4265.0000 -58.38727 -55.12441 3.26285 2.12753 -55.55984 767.22728
4270.0000 -57.36581 -54.51177 2.85404 2.20312 -54.91362 814.54512
4275.0000 -58.15175 -55.35704 2.79471 2.19240 -55.00523 855.87154
4280.0000 -58.43517 -55.96002 2.47514 2.10239 -55.77480 755.43481
4285.0000 -59.28587 -56.99836 2.28752 2.03161 -56.37995 690.68111
4290.0000 -58.32630 -56.28413 2.04217 2.00343 -56.62088 627.01936
4295.0000 -57.64190 -55.79732 1.84457 2.09259 -55.85860 700.52033
4300.0000 -58.05802 -55.66318 2.39484 2.09923 -55.80181 655.43117
4305.0000 -57.80699 -55.40133 2.40566 2.16396 -55.24844 715.23044
4310.0000 -58.17675 -55.63707 2.53968 2.09246 -55.85975 717.25581
4315.0000 -58.73701 -56.49933 2.23768 1.99676 -56.67792 625.86639
4320.0000 -58.29007 -55.60604 2.68403 2.03543 -56.34731 667.45013
4325.0000 -58.01023 -55.62663 2.38360 2.16113 -55.27263 845.23225
4330.0000 -58.22962 -55.66096 2.56866 2.11833 -55.63852 805.96061
4335.0000 -58.06515 -55.91656 2.14859 2.10682 -55.73691 787.54801
4340.0000 -57.92225 -55.56523 2.35702 2.10662 -55.73863 748.84368
4345.0000 -57.85538 -54.66001 3.19537 2.18269 -55.08827 816.50261
4350.0000 -58.22521 -55.39336 2.83185 2.23558 -54.63607 864.76730
4355.0000 -58.69787 -56.27400 2.42387 2.08131 -55.95508 721.32308
4360.0000 -57.79628 -55.27383 2.52245 2.13500 -55.49601 764.09130
4365.0000 -58.39536 -56.09534 2.30002 2.09193 -55.86428 743.86579
4370.0000 -57.73089 -55.42365 2.30724 2.09437 -55.84343 753.42314
4375.0000 -57.84253 -55.67989 2.16264 2.09361 -55.84987 730.21688
4380.0000 -57.52094 -55.10459 2.41635 2.12201 -55.60703 785.39624
4385.0000 -57.94661 -55.23423 2.71238 2.23669 -54.62654 882.39995
4390.0000 -58.63684 -55.88341 2.75342 2.12602 -55.57281 752.56780
4395.0000 -57.94075 -55.74214 2.19862 2.03669 -56.33653 671.69040
4400.0000 -58.18987 -55.72997 2.45990 2.09455 -55.84183 763.58420
4405.0000 -59.20571 -57.20938 1.99633 2.06384 -56.10444 701.16942
4410.0000 -57.39337 -54.84357 2.54980 2.04281 -56.28420 685.66639
4415.0000 -57.18677 -53.92482 3.26196 2.21868 -54.78052 873.37545
4420.0000 -57.38695 -55.28284 2.10411 2.19915 -54.94751 880.25732
4425.0000 -58.42229 -55.76761 2.65469 2.10728 -55.73301 800.21998
4430.0000 -57.67599 -55.08299 2.59301 2.14954 -55.37171 795.56927
4435.0000 -58.51635 -56.68437 1.83198 2.09928 -55.80143 763.79545
4440.0000 -57.63852 -54.80345 2.83507 2.12350 -55.59437 795.90235
4445.0000 -57.56050 -55.10883 2.45167 2.18646 -55.05600 776.76319
4450.0000 -58.06318 -55.34745 2.71573 2.19617 -54.97304 833.75006
4455.0000 -58.68564 -56.71752 1.96811 2.04703 -56.24818 664.93214
4460.0000 -58.24708 -56.25282 1.99426 1.98231 -56.80149 587.94815
4465.0000 -57.64439 -54.57707 3.06732 2.11322 -55.68220 729.99689
4470.0000 -58.16916 -55.42054 2.74862 2.13985 -55.45451 825.22876
4475.0000 -58.40622 -55.81387 2.59235 2.10805 -55.72639 780.45739
4480.0000 -58.63049 -56.40669 2.22380 2.09114 -55.87101 716.01092
4485.0000 -58.67494 -56.79393 1.88101 1.97948 -56.82565 613.69413
4490.0000 -58.52394 -56.22394 2.30000 2.04283 -56.28408 673.80688
4495.0000 -58.02103 -55.92577 2.09526 2.03340 -56.36465 669.41145
4500.0000 -58.68488 -56.15597 2.52891 2.09180 -55.86534 786.37184
FREEZING PROCESS: loop number 19 T-loop= 760.00000000000000
main_MD> interactions number 19 at Temperature= 760.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.24020 -1.64311 0.00886
force_rgl> df(natom) -1.19675 2.33642 0.83068
4505.0000 -58.10012 -55.74990 2.35022 2.09593 -55.83004 732.48029
4510.0000 -57.29891 -55.75494 1.54397 2.11008 -55.70908 715.40532
4515.0000 -58.02056 -56.32220 1.69835 2.10430 -55.75852 747.16015
4520.0000 -57.76980 -55.21811 2.55169 2.09399 -55.84661 760.50760
4525.0000 -57.87517 -54.82363 3.05154 2.18325 -55.08346 805.12142
4530.0000 -57.51931 -54.48970 3.02961 2.24069 -54.59241 914.29261
4535.0000 -57.49515 -54.61623 2.87891 2.20735 -54.87741 867.85359
4540.0000 -58.14118 -54.77452 3.36666 2.23973 -54.60055 867.30892
4545.0000 -58.28655 -55.79086 2.49568 2.13548 -55.49187 811.82927
4550.0000 -59.31146 -57.17429 2.13717 2.00102 -56.64154 674.82924
4555.0000 -58.54146 -56.10871 2.43275 1.97224 -56.88760 641.94282
4560.0000 -58.28632 -55.54612 2.74019 2.08883 -55.89076 734.42725
4565.0000 -58.29318 -55.83791 2.45526 2.08913 -55.88819 775.51079
4570.0000 -58.43010 -56.23966 2.19045 2.05627 -56.16915 692.08088
4575.0000 -58.06390 -56.14372 1.92018 2.07703 -55.99161 724.52478
4580.0000 -58.69936 -56.41623 2.28313 2.08402 -55.93191 715.09066
4585.0000 -57.81650 -56.01364 1.80286 2.03544 -56.34726 682.49740
4590.0000 -57.66229 -55.18984 2.47245 2.12186 -55.60838 733.23822
4595.0000 -58.28340 -55.70876 2.57464 2.17204 -55.17936 790.24329
4600.0000 -57.39053 -55.30036 2.09017 2.15478 -55.32687 825.00334
4605.0000 -58.15905 -55.99646 2.16258 2.14238 -55.43289 798.72171
4610.0000 -58.87741 -56.66914 2.20827 2.04534 -56.26256 687.02188
4615.0000 -59.00699 -56.54864 2.45835 2.07453 -56.01306 727.01147
4620.0000 -58.72650 -56.09889 2.62762 2.04285 -56.28388 724.06333
4625.0000 -58.01294 -56.09831 1.91464 2.06853 -56.06436 683.91986
4630.0000 -58.16967 -55.61427 2.55540 2.14580 -55.40370 772.34408
4635.0000 -58.73447 -55.44201 3.29246 2.11896 -55.63317 799.11356
4640.0000 -58.48068 -55.53318 2.94750 2.13748 -55.47479 713.37295
4645.0000 -58.26998 -55.05952 3.21046 2.12344 -55.59483 769.94919
4650.0000 -58.50150 -56.29517 2.20632 2.08926 -55.88704 744.85114
4655.0000 -58.67148 -56.96506 1.70642 1.99136 -56.72415 649.49666
4660.0000 -58.16040 -55.31021 2.85020 2.08756 -55.90163 754.09892
4665.0000 -58.14864 -55.59534 2.55330 2.14355 -55.42294 804.92728
4670.0000 -56.93116 -54.52055 2.41062 2.20542 -54.89388 850.91891
4675.0000 -57.59462 -55.29727 2.29735 2.20286 -54.91580 834.02791
4680.0000 -58.32538 -55.91827 2.40712 2.18709 -55.05067 843.31674
4685.0000 -58.16846 -55.53743 2.63102 2.11288 -55.68511 789.75380
4690.0000 -56.96509 -55.23694 1.72816 2.17946 -55.11586 826.65423
4695.0000 -58.20891 -56.10230 2.10661 2.08549 -55.91927 706.40529
4700.0000 -57.67436 -55.61460 2.05975 2.09609 -55.82870 725.31025
4705.0000 -58.18780 -55.98055 2.20725 2.13597 -55.48775 753.46996
4710.0000 -58.35541 -56.44920 1.90621 2.11298 -55.68432 774.07855
4715.0000 -58.03100 -55.22055 2.81044 2.10573 -55.74630 778.50145
4720.0000 -57.63376 -54.32297 3.31079 2.21269 -54.83176 886.78998
4725.0000 -57.71666 -55.07635 2.64030 2.22396 -54.73541 859.37323
4730.0000 -58.44710 -56.14959 2.29751 2.11766 -55.64427 762.73289
4735.0000 -57.53795 -54.96994 2.56802 2.13905 -55.46137 769.28506
4740.0000 -57.79953 -54.95607 2.84345 2.16574 -55.23318 802.99433
4745.0000 -58.03399 -55.27220 2.76180 2.17953 -55.11531 854.31770
4750.0000 -57.96183 -55.72447 2.23736 2.16489 -55.24041 792.37997
FREEZING PROCESS: loop number 20 T-loop= 735.00000000000000
main_MD> interactions number 20 at Temperature= 735.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.56053 -0.03691 3.14257
force_rgl> df(natom) -0.78706 1.24396 3.53023
4755.0000 -58.00849 -56.09061 1.91788 2.10886 -55.71950 722.27204
4760.0000 -58.38604 -55.91445 2.47159 2.03714 -56.33272 661.22287
4765.0000 -58.38367 -55.74752 2.63615 2.11744 -55.64617 810.90947
4770.0000 -56.85389 -54.54410 2.30979 2.19791 -54.95809 836.45262
4775.0000 -58.19438 -55.06645 3.12794 2.22449 -54.73084 899.13143
4780.0000 -57.47839 -54.37044 3.10795 2.19240 -55.00526 789.55722
4785.0000 -58.24158 -55.42781 2.81377 2.25675 -54.45503 906.42055
4790.0000 -57.85979 -55.54334 2.31645 2.13460 -55.49944 811.87847
4795.0000 -58.40186 -55.61843 2.78343 2.12623 -55.57100 747.07558
4800.0000 -59.19379 -57.11712 2.07667 2.12244 -55.60336 769.21052
4805.0000 -58.61815 -56.29343 2.32473 2.04421 -56.27223 718.12775
4810.0000 -58.91080 -55.81651 3.09429 2.03500 -56.35103 709.31334
4815.0000 -58.04204 -56.20049 1.84155 2.09819 -55.81069 729.25518
4820.0000 -58.39901 -56.17952 2.21950 2.03632 -56.33969 648.15741
4825.0000 -57.78344 -55.77602 2.00743 2.13399 -55.50464 787.31337
4830.0000 -58.38789 -56.53508 1.85281 2.01659 -56.50843 650.05251
4835.0000 -58.54844 -55.79939 2.74905 2.08521 -55.92168 765.12772
4840.0000 -58.18971 -56.24412 1.94559 2.08205 -55.94873 736.03176
4845.0000 -57.99482 -56.07613 1.91869 2.04479 -56.26728 689.01227
4850.0000 -58.39421 -55.64107 2.75314 2.09198 -55.86383 739.80111
4855.0000 -58.68229 -55.83872 2.84357 2.07964 -55.96930 705.45842
4860.0000 -58.38235 -56.43822 1.94412 2.03549 -56.34684 678.82569
4865.0000 -57.88380 -55.71165 2.17215 2.04984 -56.22410 714.97923
4870.0000 -58.66188 -55.34058 3.32129 2.11156 -55.69644 753.82701
4875.0000 -58.19579 -55.84889 2.34691 2.09060 -55.87559 790.17091
4880.0000 -58.25083 -56.00968 2.24116 2.08583 -55.91638 723.87803
4885.0000 -58.29848 -56.05332 2.24517 2.09377 -55.84852 709.54789
4890.0000 -58.69980 -56.44710 2.25270 2.06823 -56.06691 706.59258
4895.0000 -57.71475 -55.89410 1.82065 2.03184 -56.37797 644.79168
4900.0000 -57.89200 -55.96768 1.92432 2.10256 -55.77336 715.19714
4905.0000 -58.30852 -55.09860 3.20992 2.14506 -55.40996 751.31504
4910.0000 -57.88589 -55.27414 2.61175 2.12984 -55.54009 772.71123
4915.0000 -58.02682 -55.18686 2.83995 2.12121 -55.61394 779.42497
4920.0000 -58.49298 -55.71672 2.77626 2.14807 -55.38423 758.05070
4925.0000 -58.38057 -56.31182 2.06875 2.04728 -56.24602 726.81247
4930.0000 -58.73279 -56.51645 2.21634 2.04876 -56.23337 678.71799
4935.0000 -58.00261 -55.97415 2.02846 2.05024 -56.22070 700.63546
4940.0000 -57.90654 -55.68816 2.21838 2.12813 -55.55474 771.25902
4945.0000 -59.05910 -57.55998 1.49912 2.02106 -56.47015 665.37289
4950.0000 -58.80644 -56.39859 2.40785 1.98814 -56.75167 629.19860
4955.0000 -57.86564 -55.51304 2.35261 2.05340 -56.19369 736.48225
4960.0000 -58.05273 -55.66193 2.39080 2.13608 -55.48679 792.79372
4965.0000 -57.61765 -55.55421 2.06344 2.17390 -55.16345 820.00001
4970.0000 -57.46339 -54.43248 3.03091 2.18472 -55.07092 829.58344
4975.0000 -57.53761 -55.31373 2.22388 2.24010 -54.59745 860.55377
4980.0000 -58.27607 -56.00284 2.27322 2.11619 -55.65680 742.31614
4985.0000 -58.15728 -55.54866 2.60862 2.08325 -55.93844 749.75531
4990.0000 -58.04538 -55.96492 2.08046 2.13887 -55.46290 796.12157
4995.0000 -58.36052 -56.16784 2.19268 2.04846 -56.23595 704.19403
5000.0000 -58.89579 -56.27996 2.61583 2.02595 -56.42834 687.95963
FREEZING PROCESS: loop number 21 T-loop= 710.00000000000000
main_MD> interactions number 21 at Temperature= 710.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.09456 1.62721 -2.81404
force_rgl> df(natom) -2.27603 -1.14884 5.29382
5005.0000 -58.80201 -55.80794 2.99407 2.06546 -56.09061 786.02494
5010.0000 -58.41288 -56.52087 1.89201 2.01168 -56.55041 694.45985
5015.0000 -58.01480 -55.88771 2.12709 2.02325 -56.45142 684.60354
5020.0000 -58.76399 -56.36918 2.39481 2.13408 -55.50385 811.28184
5025.0000 -59.07164 -57.43618 1.63546 1.98131 -56.81007 634.92633
5030.0000 -58.37481 -56.46632 1.90849 1.96451 -56.95369 623.17216
5035.0000 -58.92777 -56.72974 2.19803 1.99748 -56.67179 661.77170
5040.0000 -58.54029 -55.67571 2.86458 2.01331 -56.53646 672.72994
5045.0000 -59.00909 -55.82552 3.18358 2.06942 -56.05669 755.63104
5050.0000 -59.11755 -57.31668 1.80087 1.98362 -56.79027 669.41636
5055.0000 -59.24828 -57.45869 1.78959 1.92055 -57.32949 590.34591
5060.0000 -58.62920 -57.14960 1.47960 1.94426 -57.12681 619.14697
5065.0000 -57.92212 -55.54600 2.37612 2.01880 -56.48951 688.52831
5070.0000 -58.43796 -55.68751 2.75045 2.10320 -55.76792 764.92594
5075.0000 -58.75812 -56.14736 2.61076 2.09266 -55.85801 771.30340
5080.0000 -59.05150 -56.42002 2.63148 2.01687 -56.50598 627.06224
5085.0000 -58.31503 -56.51164 1.80339 1.98106 -56.81218 638.29006
5090.0000 -58.75488 -56.57296 2.18192 1.99656 -56.67963 610.75635
5095.0000 -58.71614 -56.13891 2.57723 2.05228 -56.20329 715.77949
5100.0000 -58.10756 -55.61956 2.48800 2.11087 -55.70233 782.46316
5105.0000 -58.85031 -56.43194 2.41837 2.07405 -56.01713 766.35939
5110.0000 -58.69183 -56.10718 2.58465 2.04277 -56.28460 683.96098
5115.0000 -58.20787 -55.52314 2.68473 2.09112 -55.87114 756.30649
5120.0000 -59.10318 -56.73175 2.37143 2.06675 -56.07952 762.12863
5125.0000 -59.07060 -56.59119 2.47942 1.95775 -57.01148 631.16651
5130.0000 -58.12052 -56.16363 1.95689 2.03788 -56.32636 672.91028
5135.0000 -59.24880 -56.40700 2.84180 2.06046 -56.13332 717.83177
5140.0000 -58.37448 -56.34460 2.02988 2.03701 -56.33382 673.68509
5145.0000 -58.07308 -55.94467 2.12841 2.00486 -56.60871 633.13398
5150.0000 -58.78223 -56.35202 2.43022 2.06386 -56.10425 687.25271
5155.0000 -58.27039 -55.93169 2.33870 2.11537 -55.66381 803.35256
5160.0000 -57.48316 -55.39080 2.09237 2.09842 -55.80878 734.59255
5165.0000 -57.79175 -55.57015 2.22160 2.09179 -55.86545 732.36595
5170.0000 -58.17058 -55.50577 2.66481 2.13393 -55.50515 808.83454
5175.0000 -58.55457 -56.21968 2.33489 2.05401 -56.18843 710.45094
5180.0000 -58.22456 -56.47384 1.75072 2.04617 -56.25546 709.66100
5185.0000 -58.30958 -55.49887 2.81071 2.06070 -56.13122 715.13003
5190.0000 -58.07182 -55.49073 2.58109 2.16048 -55.27817 808.40243
5195.0000 -57.83788 -55.38148 2.45640 2.08184 -55.95049 669.82662
5200.0000 -58.63893 -55.73153 2.90740 2.14809 -55.38408 711.74110
5205.0000 -58.12058 -56.02340 2.09718 2.07047 -56.04772 748.31496
5210.0000 -58.57904 -56.81102 1.76803 2.05113 -56.21305 694.81742
5215.0000 -59.09989 -56.92529 2.17461 2.01003 -56.56445 637.88869
5220.0000 -58.99476 -57.08324 1.91152 2.00099 -56.64181 670.56097
5225.0000 -59.11750 -56.72512 2.39237 1.94857 -57.08993 613.29804
5230.0000 -58.97687 -56.61013 2.36674 2.05471 -56.18244 721.24308
5235.0000 -58.61270 -55.93425 2.67845 2.03932 -56.31403 694.10639
5240.0000 -58.31751 -56.38868 1.92883 2.02440 -56.44160 676.69122
5245.0000 -58.22044 -56.61863 1.60181 2.01350 -56.53485 645.76381
5250.0000 -58.39484 -56.20715 2.18769 2.05705 -56.16246 691.60204
FREEZING PROCESS: loop number 22 T-loop= 685.00000000000000
main_MD> interactions number 22 at Temperature= 685.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.93111 -1.51211 0.11239
force_rgl> df(natom) -2.14366 1.57522 -0.36420
5255.0000 -58.67318 -56.69852 1.97466 1.97732 -56.84414 607.22789
5260.0000 -59.32533 -57.01212 2.31321 1.98277 -56.79755 633.63693
5265.0000 -58.91440 -57.24762 1.66678 1.94166 -57.14901 578.22932
5270.0000 -58.44713 -55.68926 2.75787 2.01885 -56.48905 681.28800
5275.0000 -58.36845 -56.20443 2.16402 2.11819 -55.63976 760.10885
5280.0000 -58.16039 -55.67138 2.48901 2.09016 -55.87936 709.82924
5285.0000 -58.84870 -56.80563 2.04306 2.03356 -56.36327 658.54627
5290.0000 -58.77693 -55.94740 2.82954 2.07715 -55.99061 733.26403
5295.0000 -58.72036 -56.57442 2.14595 2.01527 -56.51969 693.39711
5300.0000 -58.45964 -55.81213 2.64751 2.04682 -56.24991 738.60194
5305.0000 -57.93818 -55.51183 2.42634 2.12004 -55.62392 772.50673
5310.0000 -58.29126 -56.11831 2.17296 2.09881 -55.80544 735.77816
5315.0000 -59.31879 -57.63871 1.68008 1.94814 -57.09364 597.64227
5320.0000 -58.37114 -55.98874 2.38240 1.98097 -56.81295 622.81324
5325.0000 -58.28744 -56.12266 2.16478 2.04078 -56.30161 708.61012
5330.0000 -58.00511 -55.67118 2.33393 2.09212 -55.86259 758.58457
5335.0000 -57.76375 -55.77340 1.99036 2.09944 -55.80000 789.62366
5340.0000 -58.57461 -56.38387 2.19074 2.03326 -56.36590 682.45663
5345.0000 -59.08680 -57.17246 1.91434 1.99013 -56.73466 644.27183
5350.0000 -58.52626 -56.45885 2.06741 1.97757 -56.84200 631.75929
5355.0000 -58.42017 -56.76282 1.65735 1.98404 -56.78666 625.57790
5360.0000 -58.61224 -55.47831 3.13393 2.07549 -56.00481 717.97655
5365.0000 -57.93219 -55.80973 2.12246 2.10288 -55.77062 711.09010
5370.0000 -58.64876 -56.14974 2.49901 2.03052 -56.38931 637.00239
5375.0000 -57.75771 -55.16973 2.58797 2.09633 -55.82659 696.22670
5380.0000 -58.33230 -56.09728 2.23502 2.12651 -55.56859 724.06788
5385.0000 -59.12742 -56.65846 2.46896 2.01003 -56.56451 667.77149
5390.0000 -57.99175 -55.24164 2.75011 2.10479 -55.75429 804.99279
5395.0000 -58.92482 -56.49051 2.43431 2.05741 -56.15937 692.81296
5400.0000 -59.32837 -57.24848 2.07989 1.93131 -57.23756 587.04996
5405.0000 -58.21812 -56.07953 2.13858 1.95140 -57.06577 607.87111
5410.0000 -58.42085 -56.01807 2.40278 2.03171 -56.37915 683.57923
5415.0000 -58.45757 -56.43353 2.02404 2.08519 -55.92188 728.85420
5420.0000 -58.59955 -56.40251 2.19704 2.01076 -56.55827 665.36663
5425.0000 -58.58905 -56.21742 2.37163 2.00401 -56.61597 663.35068
5430.0000 -58.25007 -55.80852 2.44155 2.04462 -56.26871 737.99379
5435.0000 -57.77060 -55.34146 2.42914 2.12892 -55.54800 756.29221
5440.0000 -58.44057 -56.09977 2.34080 2.12688 -55.56541 786.11241
5445.0000 -58.22153 -55.73934 2.48219 2.07166 -56.03755 706.65881
5450.0000 -57.23365 -54.30319 2.93046 2.19578 -54.97638 854.78989
5455.0000 -58.41628 -56.20041 2.21587 2.14861 -55.37967 789.65503
5460.0000 -57.98069 -55.71468 2.26602 2.07332 -56.02338 725.42026
5465.0000 -58.00802 -55.32454 2.68348 2.06617 -56.08452 737.13287
5470.0000 -58.79684 -56.68995 2.10688 2.08695 -55.90682 762.10612
5475.0000 -59.12056 -56.64182 2.47874 1.99846 -56.66345 649.53182
5480.0000 -58.71258 -57.16363 1.54895 2.00661 -56.59374 654.42530
5485.0000 -58.22684 -55.87834 2.34849 2.00265 -56.62759 644.81159
5490.0000 -57.71136 -55.50368 2.20768 2.08756 -55.90162 690.85866
5495.0000 -58.57630 -55.63778 2.93852 2.12995 -55.53915 815.15577
5500.0000 -58.17544 -56.34103 1.83441 2.07813 -55.98222 801.62982
FREEZING PROCESS: loop number 23 T-loop= 660.00000000000000
main_MD> interactions number 23 at Temperature= 660.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73968 2.48320 1.25505
force_rgl> df(natom) -3.57657 -0.81496 -0.59203
5505.0000 -58.55323 -56.51579 2.03744 2.01792 -56.49703 696.66954
5510.0000 -59.14368 -57.07732 2.06636 2.00764 -56.58491 676.22242
5515.0000 -59.31492 -57.29127 2.02365 1.92462 -57.29475 601.21823
5520.0000 -58.17454 -56.30397 1.87057 1.94363 -57.13216 622.06623
5525.0000 -58.09951 -56.08381 2.01570 2.11723 -55.64792 789.75254
5530.0000 -59.35380 -57.76608 1.58773 1.98652 -56.76549 656.81775
5535.0000 -58.65742 -56.46949 2.18792 1.92271 -57.31102 595.25460
5540.0000 -59.03893 -56.41962 2.61931 2.01889 -56.48876 692.40379
5545.0000 -59.10070 -57.06001 2.04070 1.96280 -56.96829 613.83618
5550.0000 -59.13644 -57.14362 1.99282 1.95648 -57.02234 602.74398
5555.0000 -58.33541 -56.29405 2.04136 1.96869 -56.91794 604.65019
5560.0000 -58.61585 -56.59281 2.02303 2.03538 -56.34777 686.18168
5565.0000 -58.97907 -56.86950 2.10956 1.99954 -56.65420 604.05081
5570.0000 -58.73162 -56.90217 1.82945 1.96958 -56.91031 638.50180
5575.0000 -58.81143 -56.94089 1.87053 1.98669 -56.76408 659.89795
5580.0000 -59.48879 -57.22241 2.26638 1.90424 -57.46898 534.97230
5585.0000 -58.74656 -56.67361 2.07294 1.99573 -56.68677 634.90902
5590.0000 -58.68616 -57.03504 1.65113 1.95091 -57.06996 583.79741
5595.0000 -58.75394 -56.37193 2.38201 1.97667 -56.84970 620.73628
5600.0000 -58.40260 -56.15221 2.25039 2.00120 -56.64001 631.39230
5605.0000 -58.78427 -55.95333 2.83094 2.06866 -56.06323 730.13782
5610.0000 -59.17416 -56.76694 2.40722 2.00506 -56.60701 649.09749
5615.0000 -58.41583 -56.29358 2.12225 1.98959 -56.73923 633.83340
5620.0000 -58.25747 -56.24141 2.01606 2.04403 -56.27381 682.20125
5625.0000 -58.09563 -55.59265 2.50298 2.06740 -56.07395 673.65584
5630.0000 -58.35913 -55.85176 2.50737 2.10714 -55.73418 689.04763
5635.0000 -59.19143 -57.09979 2.09164 2.00933 -56.57051 648.17032
5640.0000 -58.98619 -56.97760 2.00860 1.98517 -56.77700 625.85521
5645.0000 -59.18220 -56.80588 2.37633 1.95845 -57.00550 590.50176
5650.0000 -58.41515 -56.56199 1.85316 2.01666 -56.50782 636.49264
5655.0000 -58.53409 -56.70457 1.82952 1.99872 -56.66116 647.00486
5660.0000 -58.68042 -56.37928 2.30114 2.02789 -56.41181 644.09173
5665.0000 -58.59499 -56.86147 1.73352 1.98967 -56.73855 684.38860
5670.0000 -58.44577 -56.56311 1.88266 1.94900 -57.08629 619.93483
5675.0000 -58.22806 -56.43973 1.78834 1.99769 -56.67003 626.59663
5680.0000 -59.03818 -56.97749 2.06069 2.03612 -56.34143 666.44889
5685.0000 -59.01375 -57.07093 1.94282 1.96619 -56.93933 627.51349
5690.0000 -58.74072 -56.70868 2.03204 2.01084 -56.55758 671.12743
5695.0000 -58.03044 -55.81630 2.21414 2.03708 -56.33325 698.58745
5700.0000 -58.68551 -57.16951 1.51600 2.01171 -56.55009 667.68235
5705.0000 -59.35359 -57.42178 1.93181 1.90728 -57.44296 572.10263
5710.0000 -58.95490 -56.87745 2.07745 1.98002 -56.82104 651.89199
5715.0000 -59.17036 -57.26466 1.90569 1.95441 -57.03999 631.43558
5720.0000 -59.22949 -56.80980 2.41968 1.94956 -57.08150 641.64288
5725.0000 -58.46056 -56.35256 2.10800 1.98868 -56.74705 655.84452
5730.0000 -58.67499 -56.65075 2.02423 2.00055 -56.64553 649.06714
5735.0000 -58.62750 -56.69463 1.93287 1.97040 -56.90333 615.94846
5740.0000 -59.11186 -57.03178 2.08008 1.97622 -56.85356 585.81368
5745.0000 -59.12863 -56.89665 2.23198 1.97043 -56.90304 616.75280
5750.0000 -59.03849 -56.91661 2.12188 1.99212 -56.71757 625.50329
FREEZING PROCESS: loop number 24 T-loop= 635.00000000000000
main_MD> interactions number 24 at Temperature= 635.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.21072 -0.39097 -0.01612
force_rgl> df(natom) -1.29317 -3.10379 0.30275
5755.0000 -59.72769 -57.13894 2.58876 1.98143 -56.80905 621.72525
5760.0000 -58.27472 -56.09397 2.18075 1.97058 -56.90180 622.51782
5765.0000 -58.58647 -56.40710 2.17937 2.06277 -56.11355 719.58790
5770.0000 -58.17044 -55.79331 2.37712 2.03070 -56.38774 634.25959
5775.0000 -58.07032 -56.10656 1.96376 2.08846 -55.89393 753.48131
5780.0000 -58.49765 -56.61456 1.88309 2.03115 -56.38390 667.06304
5785.0000 -59.53491 -56.95710 2.57781 2.00395 -56.61647 682.63510
5790.0000 -58.64022 -56.69429 1.94593 1.97603 -56.85518 626.26097
5795.0000 -58.85830 -56.44700 2.41131 1.99838 -56.66411 639.23355
5800.0000 -58.10093 -55.87921 2.22172 2.02391 -56.44579 701.58608
5805.0000 -58.56400 -56.64668 1.91732 2.07280 -56.02783 732.41335
5810.0000 -58.61159 -56.72675 1.88484 2.02588 -56.42898 690.12727
5815.0000 -59.05662 -56.99321 2.06341 1.96305 -56.96618 653.71045
5820.0000 -59.38698 -57.35380 2.03318 1.95667 -57.02072 603.18800
5825.0000 -59.51496 -57.17197 2.34299 1.95111 -57.06823 608.61736
5830.0000 -59.29456 -57.65562 1.63894 1.94329 -57.13508 599.57191
5835.0000 -59.00942 -57.45831 1.55111 1.90013 -57.50409 592.26189
5840.0000 -58.91915 -56.43217 2.48698 1.94946 -57.08238 631.55529
5845.0000 -58.46855 -56.82107 1.64749 1.95158 -57.06426 605.26975
5850.0000 -59.26800 -57.19607 2.07193 1.98094 -56.81324 679.61745
5855.0000 -59.89192 -57.81787 2.07405 1.90556 -57.45770 585.94548
5860.0000 -58.09473 -56.27210 1.82263 1.95536 -57.03192 614.67936
5865.0000 -58.91148 -56.01467 2.89680 2.03416 -56.35817 674.82595
5870.0000 -58.86378 -56.89761 1.96617 1.98827 -56.75055 609.48183
5875.0000 -59.19668 -57.32721 1.86947 1.98107 -56.81207 617.27556
5880.0000 -59.42729 -57.36356 2.06373 1.90766 -57.43973 589.73077
5885.0000 -58.98900 -56.34616 2.64284 2.02711 -56.41849 708.72149
5890.0000 -59.14034 -56.78429 2.35604 2.04344 -56.27880 717.27440
5895.0000 -58.47136 -56.68298 1.78839 1.99028 -56.73337 624.87775
5900.0000 -58.55386 -56.14239 2.41147 2.00490 -56.60839 618.74715
5905.0000 -58.51680 -56.62312 1.89368 2.01354 -56.53449 637.72785
5910.0000 -57.85722 -55.45841 2.39881 2.04854 -56.23522 721.38381
5915.0000 -58.71785 -56.04944 2.66842 2.06796 -56.06921 679.50170
5920.0000 -58.49989 -56.89740 1.60249 1.99297 -56.71036 595.85638
5925.0000 -59.49974 -57.65984 1.83990 1.94033 -57.16038 560.00721
5930.0000 -59.10822 -56.47077 2.63744 1.96320 -56.96486 621.82992
5935.0000 -59.06222 -57.16137 1.90085 1.95696 -57.01827 603.71985
5940.0000 -58.80581 -56.68213 2.12368 1.98811 -56.75190 620.33063
5945.0000 -58.56689 -56.43490 2.13199 2.03378 -56.36140 701.93063
5950.0000 -57.74910 -56.13574 1.61336 1.99245 -56.71477 635.15295
5955.0000 -58.32057 -55.94077 2.37980 2.11954 -55.62819 744.65608
5960.0000 -59.56349 -57.76274 1.80075 1.99863 -56.66192 610.44537
5965.0000 -58.69143 -56.97943 1.71200 1.91562 -57.37170 564.34316
5970.0000 -59.33810 -56.96966 2.36844 1.98032 -56.81847 656.76938
5975.0000 -58.57095 -56.97075 1.60020 1.93898 -57.17199 616.92356
5980.0000 -58.12914 -55.78594 2.34320 2.08220 -55.94740 737.85641
5985.0000 -59.18175 -56.83179 2.34996 2.00162 -56.63643 628.05555
5990.0000 -58.14794 -56.14046 2.00748 2.00991 -56.56553 658.50055
5995.0000 -57.96351 -55.88124 2.08227 2.03592 -56.34309 668.46653
6000.0000 -58.76908 -56.51711 2.25197 2.05221 -56.20387 711.55445
FREEZING PROCESS: loop number 25 T-loop= 610.00000000000000
main_MD> interactions number 25 at Temperature= 610.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48762 0.39949 2.76543
force_rgl> df(natom) 0.88823 -1.03831 0.34561
6005.0000 -58.63744 -56.47085 2.16658 2.02127 -56.46840 691.61043
6010.0000 -58.42807 -56.17202 2.25604 2.03100 -56.38520 684.26794
6015.0000 -58.47027 -56.69606 1.77421 2.01719 -56.50328 636.94182
6020.0000 -58.80984 -56.35435 2.45549 1.94374 -57.13128 556.44119
6025.0000 -58.91816 -57.14316 1.77501 1.95709 -57.01712 584.69768
6030.0000 -59.05579 -56.66978 2.38601 1.96933 -56.91250 612.91724
6035.0000 -58.66687 -56.30552 2.36135 2.03391 -56.36034 686.28629
6040.0000 -58.34501 -56.14386 2.20115 2.02939 -56.39893 703.95937
6045.0000 -58.87406 -56.84638 2.02767 1.98342 -56.79201 613.65829
6050.0000 -58.78593 -57.24151 1.54442 1.98915 -56.74302 641.39774
6055.0000 -58.64839 -56.72577 1.92262 1.94844 -57.09111 625.71701
6060.0000 -59.59625 -58.17943 1.41682 1.93374 -57.21672 609.08857
6065.0000 -59.49055 -57.77187 1.71868 1.85007 -57.93210 520.55388
6070.0000 -59.73921 -58.05587 1.68334 1.84731 -57.95568 523.45868
6075.0000 -59.00594 -57.35865 1.64730 1.90897 -57.42856 550.73534
6080.0000 -59.00532 -56.77066 2.23466 1.93314 -57.22193 582.47023
6085.0000 -59.51272 -57.18248 2.33024 1.98733 -56.75857 673.68086
6090.0000 -57.91839 -55.99896 1.91944 2.00671 -56.59285 675.62223
6095.0000 -58.37058 -55.78134 2.58924 2.11260 -55.68753 734.14968
6100.0000 -58.13232 -56.41349 1.71883 2.00497 -56.60772 685.84601
6105.0000 -58.31415 -56.41222 1.90192 1.98322 -56.79371 612.29598
6110.0000 -58.93558 -56.39023 2.54535 2.02144 -56.46697 680.12650
6115.0000 -58.60835 -56.75652 1.85183 1.96769 -56.92650 642.31638
6120.0000 -59.28720 -57.38561 1.90159 2.03617 -56.34100 729.45730
6125.0000 -59.19953 -56.99077 2.20876 1.96700 -56.93242 612.73336
6130.0000 -58.77350 -57.05462 1.71888 1.96456 -56.95323 600.14830
6135.0000 -58.97846 -56.11462 2.86384 1.99986 -56.65146 638.70071
6140.0000 -58.97625 -56.17251 2.80374 2.08845 -55.89401 722.23918
6145.0000 -58.88665 -56.98204 1.90461 1.96580 -56.94269 597.07915
6150.0000 -59.44781 -57.59725 1.85056 1.93981 -57.16484 616.74145
6155.0000 -59.16950 -57.25258 1.91692 1.91160 -57.40609 554.62950
6160.0000 -59.05679 -57.27522 1.78157 1.90413 -57.46995 558.08619
6165.0000 -59.11850 -56.89017 2.22833 1.96288 -56.96764 613.80055
6170.0000 -59.58746 -57.29159 2.29587 1.91844 -57.34753 573.26951
6175.0000 -59.27360 -57.75808 1.51552 1.90451 -57.46668 581.52183
6180.0000 -58.94797 -57.23520 1.71277 1.91286 -57.39526 564.69999
6185.0000 -58.04469 -56.14540 1.89930 2.00482 -56.60906 650.65153
6190.0000 -59.08180 -56.79332 2.28848 2.05981 -56.13890 679.13592
6195.0000 -58.79477 -56.99951 1.79526 1.97604 -56.85508 603.24765
6200.0000 -59.37916 -57.58613 1.79303 1.94706 -57.10288 604.13575
6205.0000 -59.82547 -57.87907 1.94640 1.89799 -57.52237 543.57036
6210.0000 -59.55738 -57.47929 2.07809 1.87432 -57.72479 494.48353
6215.0000 -59.12425 -56.85255 2.27170 1.94218 -57.14455 576.86150
6220.0000 -58.51237 -56.45624 2.05614 2.00734 -56.58750 662.25778
6225.0000 -58.62591 -57.03013 1.59578 2.01803 -56.49611 660.75506
6230.0000 -59.15681 -57.44125 1.71556 1.94473 -57.12283 604.32115
6235.0000 -58.60854 -56.86784 1.74069 1.95093 -57.06978 578.26474
6240.0000 -59.27283 -58.01050 1.26233 1.93127 -57.23787 560.93593
6245.0000 -59.56576 -58.19509 1.37067 1.87608 -57.70974 523.06442
6250.0000 -59.51040 -57.58514 1.92526 1.83314 -58.07685 471.25188
FREEZING PROCESS: loop number 26 T-loop= 585.00000000000000
main_MD> interactions number 26 at Temperature= 585.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35003 0.21434 2.63580
force_rgl> df(natom) 0.48212 4.40843 0.29279
6255.0000 -59.14743 -57.18198 1.96545 1.91013 -57.41866 558.76375
6260.0000 -59.09002 -57.19172 1.89830 1.92567 -57.28573 584.32464
6265.0000 -58.96828 -57.45964 1.50864 1.91448 -57.38144 538.00859
6270.0000 -58.57380 -56.69328 1.88052 1.95587 -57.02755 572.61752
6275.0000 -58.91076 -56.93018 1.98057 2.00269 -56.62723 653.06816
6280.0000 -58.95929 -57.66868 1.29061 1.89445 -57.55271 535.09358
6285.0000 -59.09065 -56.92692 2.16373 1.92160 -57.32058 546.64752
6290.0000 -59.16750 -57.25138 1.91612 1.92865 -57.26029 616.94513
6295.0000 -59.09381 -57.39997 1.69384 1.93469 -57.20867 571.41568
6300.0000 -59.40545 -58.12835 1.27711 1.85956 -57.85095 517.88836
6305.0000 -59.28133 -57.61196 1.66936 1.87238 -57.74138 546.55315
6310.0000 -59.31616 -57.52158 1.79458 1.91487 -57.37813 602.25545
6315.0000 -59.38677 -57.78490 1.60187 1.84694 -57.95887 503.20940
6320.0000 -60.04579 -58.17728 1.86851 1.84685 -57.95968 503.29287
6325.0000 -59.57881 -57.94498 1.63383 1.87167 -57.74741 556.55263
6330.0000 -59.87398 -57.77251 2.10147 1.86681 -57.78902 541.80804
6335.0000 -59.07440 -57.09725 1.97715 1.93624 -57.19539 622.95395
6340.0000 -59.88382 -58.58930 1.29452 1.87601 -57.71034 548.18525
6345.0000 -58.72640 -57.55498 1.17143 1.83110 -58.09436 479.62172
6350.0000 -59.17924 -57.28522 1.89402 1.93462 -57.20921 558.14387
6355.0000 -59.83389 -58.08797 1.74592 1.91605 -57.36798 585.14214
6360.0000 -58.87089 -57.13868 1.73221 1.90107 -57.49611 569.54939
6365.0000 -59.24524 -57.44011 1.80513 1.95765 -57.01232 615.35179
6370.0000 -58.62803 -56.10559 2.52244 1.95442 -57.03997 607.60311
6375.0000 -59.32497 -57.00708 2.31790 2.06612 -56.08489 733.03794
6380.0000 -59.77018 -57.52548 2.24470 1.91044 -57.41595 569.37233
6385.0000 -59.17567 -58.06545 1.11022 1.84706 -57.95789 509.74239
6390.0000 -59.36488 -57.28123 2.08365 1.84214 -57.99991 494.19876
6395.0000 -59.44394 -57.16793 2.27601 1.93353 -57.21855 590.58227
6400.0000 -59.64946 -57.89019 1.75927 1.89112 -57.58115 580.36548
6405.0000 -59.10183 -57.35085 1.75098 1.90400 -57.47107 573.80035
6410.0000 -59.00114 -57.48153 1.51960 1.90965 -57.42272 553.55124
6415.0000 -58.66246 -56.26856 2.39389 1.97236 -56.88657 614.49545
6420.0000 -58.32784 -56.50663 1.82122 2.02415 -56.44380 669.41322
6425.0000 -58.38975 -56.57558 1.81417 2.01309 -56.53832 632.00532
6430.0000 -58.81000 -56.77099 2.03901 2.01454 -56.52590 655.45228
6435.0000 -59.15562 -57.44678 1.70884 1.94832 -57.09208 595.83800
6440.0000 -59.26645 -57.73787 1.52858 1.87999 -57.67633 566.21290
6445.0000 -59.74042 -57.97554 1.76488 1.85074 -57.92642 471.21311
6450.0000 -59.63528 -57.82728 1.80800 1.83111 -58.09419 474.89115
6455.0000 -59.56786 -57.59084 1.97703 1.91966 -57.33714 610.82502
6460.0000 -59.75789 -57.94576 1.81213 1.89305 -57.56467 552.45881
6465.0000 -59.82276 -57.91079 1.91198 1.84994 -57.93323 493.59770
6470.0000 -59.52074 -57.78347 1.73727 1.87935 -57.68181 554.99329
6475.0000 -59.13014 -57.58966 1.54048 1.88160 -57.66257 540.87932
6480.0000 -59.13797 -57.07272 2.06525 1.90506 -57.46195 555.27066
6485.0000 -58.84136 -56.42455 2.41680 1.97762 -56.84158 616.68536
6490.0000 -58.50051 -56.32443 2.17608 2.03002 -56.39357 699.91840
6495.0000 -59.52722 -57.53280 1.99441 1.94542 -57.11691 569.45304
6500.0000 -59.37730 -57.45320 1.92410 1.89427 -57.55425 544.05633
FREEZING PROCESS: loop number 27 T-loop= 560.00000000000000
main_MD> interactions number 27 at Temperature= 560.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50118 -1.59679 0.46305
force_rgl> df(natom) -3.15466 -0.30237 1.99602
6505.0000 -58.83239 -57.08169 1.75070 1.88856 -57.60305 529.70606
6510.0000 -58.38662 -56.33688 2.04974 1.97232 -56.88689 605.71441
6515.0000 -58.67459 -56.31850 2.35609 2.02547 -56.43244 657.68140
6520.0000 -59.30573 -57.06214 2.24359 1.95934 -56.99784 627.69349
6525.0000 -59.16486 -57.36813 1.79673 1.92806 -57.26535 591.34088
6530.0000 -60.00373 -58.37945 1.62428 1.87795 -57.69372 518.69970
6535.0000 -59.82864 -58.17729 1.65135 1.81050 -58.27045 454.36577
6540.0000 -59.07054 -57.64242 1.42811 1.83393 -58.07012 503.77405
6545.0000 -59.50162 -57.87315 1.62847 1.87096 -57.75348 526.27073
6550.0000 -59.61072 -57.51851 2.09221 1.88915 -57.59802 544.34164
6555.0000 -59.26495 -57.30231 1.96264 1.91149 -57.40701 547.31361
6560.0000 -59.78774 -58.47637 1.31137 1.82110 -58.17982 435.94407
6565.0000 -59.55173 -57.46704 2.08469 1.84653 -57.96235 467.98130
6570.0000 -58.82756 -57.10458 1.72298 1.93074 -57.24245 553.68427
6575.0000 -59.14579 -57.47532 1.67048 1.89478 -57.54989 513.48810
6580.0000 -58.88998 -57.36740 1.52258 1.89034 -57.58779 526.85903
6585.0000 -59.90853 -58.11257 1.79596 1.84106 -58.00915 487.87542
6590.0000 -59.35880 -57.76948 1.58932 1.82705 -58.12893 450.57677
6595.0000 -59.39167 -57.39725 1.99442 1.90030 -57.50269 556.55464
6600.0000 -59.55318 -57.75724 1.79595 1.90251 -57.48373 518.63818
6605.0000 -59.13999 -57.73916 1.40084 1.87767 -57.69616 521.17748
6610.0000 -59.27065 -57.61593 1.65472 1.90708 -57.44473 550.29301
6615.0000 -58.88696 -57.48104 1.40592 1.90292 -57.48025 546.25562
6620.0000 -59.01551 -57.16745 1.84806 1.91184 -57.40399 530.13211
6625.0000 -59.50957 -57.67691 1.83266 1.89829 -57.51982 521.50759
6630.0000 -58.99495 -57.23658 1.75837 1.91209 -57.40186 535.66462
6635.0000 -59.40340 -57.25651 2.14689 1.90083 -57.49817 541.47635
6640.0000 -59.18688 -57.40880 1.77808 1.92878 -57.25914 589.01574
6645.0000 -59.41254 -57.34954 2.06300 1.93957 -57.16695 597.57244
6650.0000 -60.09231 -57.44976 2.64256 1.90475 -57.46465 588.39690
6655.0000 -59.47982 -57.36423 2.11559 1.89185 -57.57488 579.53920
6660.0000 -59.39392 -57.62474 1.76917 1.93053 -57.24419 595.57376
6665.0000 -59.97758 -58.22254 1.75505 1.87568 -57.71317 556.24936
6670.0000 -59.67711 -58.34101 1.33610 1.87731 -57.69922 556.85567
6675.0000 -59.57376 -57.67468 1.89908 1.83649 -58.04823 526.25386
6680.0000 -59.90176 -58.28335 1.61841 1.85354 -57.90243 518.83006
6685.0000 -59.31850 -57.98525 1.33325 1.85717 -57.87143 532.72336
6690.0000 -59.39476 -57.25533 2.13943 1.91080 -57.41287 589.68235
6695.0000 -59.74726 -57.80721 1.94005 1.86591 -57.79672 509.56319
6700.0000 -58.94056 -57.02425 1.91631 1.87650 -57.70612 536.81037
6705.0000 -59.17249 -57.75665 1.41583 1.88097 -57.66797 543.55698
6710.0000 -59.95274 -57.81947 2.13328 1.85673 -57.87518 514.26007
6715.0000 -60.01625 -58.50658 1.50967 1.82226 -58.16988 506.44938
6720.0000 -59.36351 -57.72632 1.63719 1.80829 -58.28934 478.89107
6725.0000 -59.48478 -57.51919 1.96558 1.87637 -57.70723 538.15500
6730.0000 -60.00598 -57.93351 2.07247 1.85085 -57.92543 516.37987
6735.0000 -59.59093 -57.80544 1.78550 1.87667 -57.70472 544.46074
6740.0000 -58.86826 -56.74121 2.12705 1.92477 -57.29341 570.48451
6745.0000 -59.32449 -57.22301 2.10148 1.96212 -56.97408 659.50843
6750.0000 -58.42152 -56.24854 2.17298 1.94609 -57.11113 596.42125
FREEZING PROCESS: loop number 28 T-loop= 535.00000000000000
main_MD> interactions number 28 at Temperature= 535.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10188 -1.53879 0.32402
force_rgl> df(natom) 0.96249 -0.23562 -1.69188
6755.0000 -58.80135 -56.49620 2.30515 2.01369 -56.53317 639.38383
6760.0000 -59.75267 -57.31598 2.43669 1.99067 -56.72999 623.90177
6765.0000 -58.95424 -57.00764 1.94661 1.97011 -56.90579 586.56287
6770.0000 -59.30101 -57.72984 1.57117 1.88793 -57.60843 507.94191
6775.0000 -59.84454 -57.62601 2.21853 1.91594 -57.36891 571.93871
6780.0000 -58.60763 -56.91948 1.68815 1.91245 -57.39875 556.71988
6785.0000 -58.37179 -56.32907 2.04272 1.99280 -56.71179 622.21244
6790.0000 -59.15920 -57.67013 1.48907 1.95396 -57.04387 599.64702
6795.0000 -59.93585 -58.23306 1.70279 1.84307 -57.99200 484.53649
6800.0000 -59.43074 -57.82964 1.60110 1.82427 -58.15273 489.32450
6805.0000 -59.42590 -57.90735 1.51854 1.88625 -57.62281 568.18605
6810.0000 -59.66565 -57.84500 1.82064 1.86823 -57.77684 525.03707
6815.0000 -59.26841 -57.39193 1.87647 1.88368 -57.64476 550.05985
6820.0000 -59.45279 -57.98982 1.46297 1.85918 -57.85424 518.21839
6825.0000 -59.82651 -57.56175 2.26476 1.87684 -57.70324 537.58085
6830.0000 -59.80263 -58.07169 1.73094 1.88544 -57.62971 541.61007
6835.0000 -59.17537 -57.96999 1.20539 1.83842 -58.03172 506.93461
6840.0000 -59.13639 -57.94217 1.19422 1.83140 -58.09176 478.51201
6845.0000 -59.33303 -57.46012 1.87291 1.87424 -57.72547 552.89238
6850.0000 -59.62848 -57.77306 1.85543 1.88257 -57.65422 533.37161
6855.0000 -59.87471 -58.32913 1.54558 1.85610 -57.88057 526.88880
6860.0000 -59.37617 -57.64307 1.73310 1.84591 -57.96770 508.21436
6865.0000 -59.43124 -57.94371 1.48753 1.82986 -58.10491 488.58292
6870.0000 -59.91800 -58.10019 1.81781 1.87176 -57.74665 512.17311
6875.0000 -59.66701 -57.69592 1.97109 1.83266 -58.08098 479.66002
6880.0000 -59.29836 -57.53693 1.76143 1.86655 -57.79118 514.56482
6885.0000 -58.88465 -57.43081 1.45384 1.89547 -57.54396 522.16548
6890.0000 -59.38746 -57.84666 1.54080 1.86679 -57.78913 478.93461
6895.0000 -59.44521 -58.22985 1.21536 1.83077 -58.09714 450.73549
6900.0000 -59.76702 -57.95094 1.81608 1.85622 -57.87950 482.19379
6905.0000 -59.47960 -58.48868 0.99092 1.85810 -57.86348 487.84350
6910.0000 -59.26804 -57.85941 1.40863 1.82303 -58.16328 451.77026
6915.0000 -59.63507 -58.10301 1.53206 1.86234 -57.82725 500.37311
6920.0000 -59.21264 -58.15564 1.05700 1.86334 -57.81869 499.96908
6925.0000 -59.64573 -57.37008 2.27565 1.87526 -57.71671 484.25206
6930.0000 -59.42159 -57.48036 1.94123 1.90209 -57.48735 548.40867
6935.0000 -59.53209 -57.32098 2.21110 1.92366 -57.30291 563.13374
6940.0000 -58.97289 -57.15932 1.81357 1.92812 -57.26485 547.54020
6945.0000 -59.17468 -57.18747 1.98721 1.92131 -57.32306 552.50844
6950.0000 -58.88727 -57.18924 1.69804 1.93863 -57.17499 571.72071
6955.0000 -59.06084 -57.56283 1.49801 1.89198 -57.57384 512.28280
6960.0000 -58.74928 -56.81767 1.93161 1.98130 -56.81015 637.57544
6965.0000 -58.50715 -56.43601 2.07114 1.98296 -56.79592 662.87676
6970.0000 -59.07908 -57.39346 1.68562 1.96690 -56.93323 606.53439
6975.0000 -59.47072 -57.61592 1.85480 1.88546 -57.62952 556.94224
6980.0000 -59.64675 -57.54731 2.09944 1.89734 -57.52795 536.04394
6985.0000 -59.30523 -56.82352 2.48171 1.92194 -57.31768 586.83566
6990.0000 -59.38741 -57.41320 1.97421 1.89581 -57.54107 556.45998
6995.0000 -58.99244 -57.22002 1.77242 1.93251 -57.22731 582.80492
7000.0000 -59.25500 -56.81648 2.43852 1.90135 -57.49372 563.21637
FREEZING PROCESS: loop number 29 T-loop= 510.00000000000000
main_MD> interactions number 29 at Temperature= 510.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77925 -0.05939 -1.52369
force_rgl> df(natom) -0.55895 -0.92320 -1.44001
7005.0000 -59.10161 -57.53943 1.56218 1.91676 -57.36195 511.09765
7010.0000 -59.33106 -58.01292 1.31814 1.86120 -57.83697 486.37228
7015.0000 -59.38630 -57.72254 1.66376 1.81021 -58.27291 426.84524
7020.0000 -59.24291 -57.80647 1.43644 1.85535 -57.88700 473.95058
7025.0000 -59.44540 -57.66723 1.77817 1.85351 -57.90273 490.74122
7030.0000 -59.69809 -57.82537 1.87272 1.84407 -57.98341 478.07571
7035.0000 -58.89599 -57.42310 1.47289 1.91125 -57.40902 545.24797
7040.0000 -58.89662 -57.38263 1.51399 1.90114 -57.49547 544.15542
7045.0000 -59.26819 -57.68580 1.58239 1.87555 -57.71427 479.96027
7050.0000 -59.39314 -58.20671 1.18643 1.84689 -57.95933 476.51356
7055.0000 -59.49076 -57.99560 1.49516 1.80676 -58.30239 429.74416
7060.0000 -59.66918 -57.96102 1.70817 1.80864 -58.28635 434.36530
7065.0000 -59.12669 -57.48035 1.64634 1.88078 -57.66958 528.39454
7070.0000 -59.00225 -57.09472 1.90753 1.89331 -57.56240 527.34199
7075.0000 -59.45354 -57.82657 1.62697 1.90525 -57.46035 557.61278
7080.0000 -59.50628 -57.53726 1.96902 1.86602 -57.79580 533.41721
7085.0000 -59.99667 -58.45658 1.54009 1.85094 -57.92465 520.80386
7090.0000 -59.73919 -58.16237 1.57683 1.79812 -58.37625 460.01673
7095.0000 -59.30642 -57.81734 1.48908 1.84546 -57.97156 500.52148
7100.0000 -59.22013 -57.29052 1.92962 1.89896 -57.51414 523.70496
7105.0000 -58.85554 -56.88025 1.97529 1.91297 -57.39431 542.37367
7110.0000 -59.36894 -57.95335 1.41559 1.92613 -57.28186 559.06938
7115.0000 -58.62427 -57.29705 1.32722 1.91427 -57.38321 584.98880
7120.0000 -58.98980 -56.93572 2.05408 1.93985 -57.16453 601.55217
7125.0000 -59.42613 -57.63799 1.78814 1.90135 -57.49368 537.25843
7130.0000 -58.80576 -57.27443 1.53134 1.90503 -57.46221 531.79280
7135.0000 -59.27250 -57.62520 1.64731 1.87295 -57.73650 502.52698
7140.0000 -59.75383 -58.22997 1.52386 1.86321 -57.81979 511.54038
7145.0000 -59.61949 -58.14996 1.46954 1.81131 -58.26348 433.20424
7150.0000 -58.82599 -57.03180 1.79419 1.89575 -57.54159 561.17676
7155.0000 -59.45164 -57.70902 1.74262 1.90570 -57.45648 574.04809
7160.0000 -59.92032 -57.98738 1.93294 1.85233 -57.91277 509.76492
7165.0000 -59.28694 -57.48704 1.79990 1.87225 -57.74247 529.63030
7170.0000 -58.18064 -56.83325 1.34739 1.93204 -57.23130 598.69358
7175.0000 -59.10417 -57.40456 1.69961 1.94221 -57.14433 590.94536
7180.0000 -59.76737 -57.76525 2.00212 1.91214 -57.40144 569.72883
7185.0000 -59.91778 -58.60713 1.31065 1.82260 -58.16697 469.59256
7190.0000 -59.62177 -57.52770 2.09407 1.82409 -58.15426 478.24135
7195.0000 -59.56659 -57.97614 1.59045 1.88152 -57.66327 538.25878
7200.0000 -59.81701 -58.01051 1.80650 1.81267 -58.25191 447.33876
7205.0000 -59.65121 -57.91617 1.73503 1.82983 -58.10521 479.59310
7210.0000 -59.20278 -57.25140 1.95138 1.89787 -57.52343 528.33237
7215.0000 -59.25332 -57.71271 1.54061 1.90062 -57.49993 543.39920
7220.0000 -59.44369 -57.71150 1.73219 1.82727 -58.12702 432.44699
7225.0000 -59.51732 -57.59177 1.92555 1.91529 -57.37450 556.52334
7230.0000 -59.50296 -57.80641 1.69655 1.88145 -57.66385 524.28405
7235.0000 -58.69674 -56.90595 1.79078 1.89015 -57.58941 524.89191
7240.0000 -58.60084 -57.12365 1.47719 1.96809 -56.92303 602.50055
7245.0000 -58.78086 -56.95603 1.82482 1.93161 -57.23495 551.58797
7250.0000 -59.38158 -57.78976 1.59182 1.91419 -57.38389 536.94410
FREEZING PROCESS: loop number 30 T-loop= 485.00000000000000
main_MD> interactions number 30 at Temperature= 485.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22871 0.83122 0.60030
force_rgl> df(natom) 1.46205 -0.32732 1.31430
7255.0000 -59.78571 -58.21816 1.56756 1.84372 -57.98639 491.40209
7260.0000 -59.22619 -57.91042 1.31577 1.84141 -58.00613 491.24538
7265.0000 -59.62204 -57.91374 1.70829 1.86548 -57.80038 508.21251
7270.0000 -59.28079 -57.70954 1.57125 1.88023 -57.67430 529.32859
7275.0000 -59.88667 -58.30848 1.57819 1.85606 -57.88094 501.22532
7280.0000 -59.82583 -58.33597 1.48986 1.82630 -58.13531 501.08812
7285.0000 -59.60376 -57.90599 1.69777 1.81446 -58.23662 484.77179
7290.0000 -59.58637 -58.37099 1.21539 1.84660 -57.96177 523.71601
7295.0000 -59.84468 -58.07576 1.76892 1.80195 -58.34353 460.89187
7300.0000 -60.11278 -57.83276 2.28003 1.83256 -58.08179 473.50998
7305.0000 -59.52465 -58.12413 1.40052 1.83574 -58.05462 482.60853
7310.0000 -59.20563 -57.72884 1.47678 1.85326 -57.90486 474.56921
7315.0000 -59.77054 -57.96761 1.80293 1.86417 -57.81157 503.15230
7320.0000 -59.85186 -58.38578 1.46608 1.80571 -58.31143 467.20775
7325.0000 -59.53675 -57.91157 1.62519 1.80085 -58.35294 444.14248
7330.0000 -59.84796 -58.09586 1.75210 1.85111 -57.92323 527.05465
7335.0000 -59.68962 -58.39847 1.29115 1.83617 -58.05095 480.24179
7340.0000 -60.01783 -58.12951 1.88832 1.84527 -57.97313 509.52723
7345.0000 -59.86894 -58.07933 1.78961 1.82805 -58.12037 482.56934
7350.0000 -59.70950 -58.00624 1.70326 1.80601 -58.30883 463.36613
7355.0000 -59.58849 -58.18699 1.40150 1.80593 -58.30949 470.64911
7360.0000 -59.52846 -58.25297 1.27549 1.84497 -57.97572 536.47290
7365.0000 -59.57687 -58.15744 1.41943 1.82255 -58.16744 481.07262
7370.0000 -59.83197 -58.13977 1.69220 1.82439 -58.15169 505.72187
7375.0000 -59.58379 -57.82243 1.76137 1.85755 -57.86819 559.79814
7380.0000 -59.55453 -58.25142 1.30311 1.85247 -57.91156 507.67450
7385.0000 -59.99334 -58.55653 1.43681 1.77741 -58.55338 423.09498
7390.0000 -59.63467 -58.46490 1.16976 1.77029 -58.61425 413.52145
7395.0000 -59.70337 -58.00661 1.69675 1.80315 -58.33331 438.02937
7400.0000 -59.59333 -58.24045 1.35288 1.81253 -58.25305 467.99638
7405.0000 -59.72826 -58.10762 1.62064 1.83352 -58.07363 479.73671
7410.0000 -60.11894 -58.26209 1.85685 1.84150 -58.00539 500.22293
7415.0000 -59.79985 -57.83816 1.96168 1.85669 -57.87556 506.98372
7420.0000 -59.40825 -57.44881 1.95945 1.89222 -57.57175 548.23308
7425.0000 -59.10131 -57.44827 1.65304 1.92503 -57.29120 609.74732
7430.0000 -59.33631 -58.08453 1.25178 1.85129 -57.92172 517.07997
7435.0000 -59.56790 -57.98645 1.58145 1.84050 -58.01397 479.37288
7440.0000 -59.19754 -57.82946 1.36808 1.86089 -57.83961 502.50232
7445.0000 -59.86205 -58.64514 1.21691 1.82501 -58.14637 498.15664
7450.0000 -59.61793 -58.17690 1.44103 1.77986 -58.53237 429.31792
7455.0000 -59.48092 -57.58688 1.89404 1.83471 -58.06347 488.00760
7460.0000 -59.98160 -58.07727 1.90434 1.86822 -57.77693 510.22764
7465.0000 -60.08660 -58.60948 1.47711 1.81408 -58.23980 463.43348
7470.0000 -59.57856 -58.02358 1.55498 1.80166 -58.34601 460.36364
7475.0000 -59.81590 -58.57440 1.24150 1.81881 -58.19936 474.25004
7480.0000 -59.34347 -57.71540 1.62807 1.83357 -58.07320 488.50360
7485.0000 -59.36263 -57.76986 1.59277 1.86462 -57.80776 529.12863
7490.0000 -59.68796 -57.94456 1.74340 1.83784 -58.03672 499.75423
7495.0000 -59.58134 -58.00543 1.57591 1.86918 -57.76873 532.02997
7500.0000 -59.36559 -58.22298 1.14261 1.81193 -58.25824 458.17153
FREEZING PROCESS: loop number 31 T-loop= 460.00000000000000
main_MD> interactions number 31 at Temperature= 460.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.63092 -3.00977 -1.19837
force_rgl> df(natom) -3.59080 0.78546 -0.81244
7505.0000 -59.90436 -58.72605 1.17831 1.78563 -58.48310 424.53013
7510.0000 -59.92138 -58.50613 1.41525 1.75667 -58.73071 404.16776
7515.0000 -59.85853 -58.83263 1.02590 1.74271 -58.85002 402.54654
7520.0000 -59.99037 -58.87177 1.11860 1.77873 -58.54211 443.45017
7525.0000 -59.82904 -58.88790 0.94114 1.75177 -58.77255 375.54491
7530.0000 -59.43963 -57.91518 1.52445 1.80570 -58.31150 465.32126
7535.0000 -59.66735 -57.65924 2.00811 1.87710 -57.70099 523.91009
7540.0000 -59.53215 -57.40583 2.12632 1.88467 -57.63630 570.27231
7545.0000 -59.46542 -58.24980 1.21562 1.83797 -58.03562 472.06525
7550.0000 -59.64716 -58.09892 1.54824 1.82284 -58.16493 475.55362
7555.0000 -59.94758 -58.67327 1.27431 1.80251 -58.33878 463.18066
7560.0000 -59.69629 -58.65557 1.04072 1.76178 -58.68702 412.70804
7565.0000 -60.02824 -58.59492 1.43332 1.74495 -58.83092 386.66679
7570.0000 -59.19661 -57.87271 1.32390 1.80337 -58.33137 454.66308
7575.0000 -59.44713 -57.75139 1.69574 1.89355 -57.56035 544.87430
7580.0000 -59.01614 -57.72860 1.28754 1.87918 -57.68322 518.11409
7585.0000 -59.24999 -57.09886 2.15113 1.89777 -57.52430 550.97081
7590.0000 -59.56330 -57.90710 1.65619 1.88543 -57.62982 515.18531
7595.0000 -59.55544 -58.05414 1.50130 1.81175 -58.25973 453.39626
7600.0000 -59.43912 -57.91205 1.52707 1.82175 -58.17424 452.87400
7605.0000 -59.82686 -57.74851 2.07834 1.87032 -57.75901 549.55578
7610.0000 -59.85015 -58.27895 1.57120 1.83343 -58.07435 487.79269
7615.0000 -60.11677 -58.92919 1.18758 1.78959 -58.44921 446.13524
7620.0000 -59.65028 -58.11899 1.53129 1.80249 -58.33895 468.12418
7625.0000 -59.88248 -58.25158 1.63090 1.82355 -58.15890 478.70226
7630.0000 -59.76906 -58.39334 1.37572 1.79318 -58.41855 444.27461
7635.0000 -60.27854 -58.79462 1.48392 1.77752 -58.55246 417.10256
7640.0000 -59.72344 -58.04081 1.68263 1.79893 -58.36938 437.02982
7645.0000 -59.83114 -58.24340 1.58774 1.82473 -58.14882 487.05005
7650.0000 -60.01461 -58.81373 1.20088 1.78593 -58.48051 447.01131
7655.0000 -59.79863 -58.47063 1.32799 1.76167 -58.68797 399.44954
7660.0000 -59.85071 -58.16222 1.68849 1.81322 -58.24722 466.35539
7665.0000 -59.94875 -58.17055 1.77821 1.82706 -58.12885 479.21778
7670.0000 -59.89858 -58.37321 1.52537 1.81472 -58.23439 466.00689
7675.0000 -59.77464 -58.59803 1.17661 1.79412 -58.41047 439.92605
7680.0000 -59.96857 -58.69922 1.26934 1.75613 -58.73527 399.40415
7685.0000 -59.86907 -58.47579 1.39328 1.77183 -58.60102 423.55578
7690.0000 -59.86328 -58.10272 1.76056 1.79280 -58.42178 451.64696
7695.0000 -59.96586 -58.21182 1.75405 1.80402 -58.32587 463.46591
7700.0000 -59.72170 -57.77157 1.95013 1.85121 -57.92241 515.71197
7705.0000 -59.64881 -58.32584 1.32297 1.78962 -58.44896 440.57668
7710.0000 -60.12471 -58.89253 1.23219 1.75590 -58.73725 411.84062
7715.0000 -60.12265 -58.56543 1.55722 1.75567 -58.73927 391.78659
7720.0000 -59.90945 -58.42981 1.47964 1.79405 -58.41107 465.66995
7725.0000 -60.10425 -58.97868 1.12557 1.77271 -58.59352 422.28270
7730.0000 -59.42825 -58.33270 1.09554 1.79113 -58.43607 429.71449
7735.0000 -60.05923 -58.06292 1.99632 1.81613 -58.22228 463.75610
7740.0000 -59.98032 -58.87258 1.10774 1.81088 -58.26717 476.63621
7745.0000 -59.95017 -58.79340 1.15678 1.75586 -58.73757 408.40360
7750.0000 -59.57186 -58.33223 1.23963 1.75228 -58.76820 390.76897
FREEZING PROCESS: loop number 32 T-loop= 435.00000000000000
main_MD> interactions number 32 at Temperature= 435.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46608 -3.60655 -2.84894
force_rgl> df(natom) -0.95451 -1.04906 1.20652
7755.0000 -59.67397 -58.50606 1.16791 1.80506 -58.31698 464.64913
7760.0000 -60.05897 -58.71343 1.34554 1.74944 -58.79254 391.03432
7765.0000 -59.80788 -58.40166 1.40622 1.80966 -58.27760 466.40099
7770.0000 -60.16247 -58.60704 1.55544 1.79167 -58.43146 458.80687
7775.0000 -59.74936 -57.86438 1.88498 1.80021 -58.35841 469.43752
7780.0000 -59.59366 -57.79265 1.80101 1.83472 -58.06340 498.87951
7785.0000 -59.95198 -58.42071 1.53127 1.87147 -57.74918 529.59412
7790.0000 -59.96102 -58.97517 0.98585 1.76324 -58.67451 392.98924
7795.0000 -59.83258 -58.40945 1.42313 1.75037 -58.78451 384.66611
7800.0000 -59.50323 -58.11825 1.38498 1.80792 -58.29247 462.87887
7805.0000 -60.13906 -59.26668 0.87238 1.77488 -58.57500 422.55100
7810.0000 -60.33985 -59.04213 1.29772 1.72031 -59.04156 361.85534
7815.0000 -60.64632 -59.44224 1.20408 1.70244 -59.19431 341.91572
7820.0000 -60.38233 -59.10828 1.27405 1.69704 -59.24053 344.17733
7825.0000 -59.65924 -58.36144 1.29780 1.76491 -58.66027 391.89115
7830.0000 -59.62132 -58.10217 1.51915 1.82610 -58.13707 461.69621
7835.0000 -60.18622 -58.59605 1.59017 1.80684 -58.30173 472.64969
7840.0000 -60.38293 -59.24410 1.13883 1.74516 -58.82912 404.46592
7845.0000 -60.08427 -58.73755 1.34672 1.74218 -58.85459 389.13918
7850.0000 -60.16864 -58.85461 1.31403 1.75116 -58.77778 407.13454
7855.0000 -59.66813 -58.28692 1.38120 1.79632 -58.39165 434.88993
7860.0000 -60.18255 -58.60870 1.57385 1.76461 -58.66278 401.84296
7865.0000 -59.10097 -58.00786 1.09310 1.79416 -58.41015 426.25653
7870.0000 -59.67744 -58.33463 1.34281 1.82932 -58.10957 471.03962
7875.0000 -60.03349 -58.29271 1.74078 1.78472 -58.49087 427.10417
7880.0000 -59.56588 -57.87594 1.68993 1.84732 -57.95560 518.86527
7885.0000 -59.78169 -57.94180 1.83989 1.85598 -57.88163 524.19631
7890.0000 -59.84686 -58.49744 1.34942 1.81368 -58.24324 463.87748
7895.0000 -60.15499 -58.85471 1.30028 1.74557 -58.82556 388.36995
7900.0000 -60.02901 -58.95558 1.07342 1.73176 -58.94370 377.77637
7905.0000 -59.79558 -58.17744 1.61815 1.77716 -58.55552 433.90871
7910.0000 -59.89397 -58.01374 1.88023 1.83044 -58.09999 498.09841
7915.0000 -59.96613 -58.66044 1.30569 1.76914 -58.62409 425.38052
7920.0000 -60.13094 -59.03688 1.09406 1.74858 -58.79989 385.17689
7925.0000 -59.72652 -58.05508 1.67143 1.76677 -58.64430 402.50606
7930.0000 -59.66723 -58.40635 1.26089 1.80275 -58.33668 461.69116
7935.0000 -60.15898 -59.01549 1.14349 1.76608 -58.65027 391.19887
7940.0000 -60.09507 -58.66774 1.42733 1.76662 -58.64559 404.85467
7945.0000 -60.12571 -58.70508 1.42064 1.78909 -58.45350 432.56756
7950.0000 -59.91460 -58.31196 1.60264 1.81538 -58.22869 465.30206
7955.0000 -60.12687 -58.57613 1.55074 1.80946 -58.27937 470.94539
7960.0000 -59.85189 -58.66268 1.18920 1.75843 -58.71567 416.88674
7965.0000 -59.93070 -58.63157 1.29913 1.78856 -58.45802 444.36678
7970.0000 -60.02145 -58.67533 1.34612 1.76722 -58.64050 416.13944
7975.0000 -59.96546 -58.77093 1.19453 1.75182 -58.77213 394.66807
7980.0000 -60.26197 -59.16309 1.09888 1.72953 -58.96272 361.44893
7985.0000 -59.97876 -58.49300 1.48576 1.74839 -58.80149 397.65742
7990.0000 -59.57535 -58.31285 1.26249 1.77443 -58.57883 422.02206
7995.0000 -58.87668 -57.24917 1.62751 1.88647 -57.62090 522.92526
8000.0000 -59.94900 -58.33387 1.61513 1.85110 -57.92333 515.99856
FREEZING PROCESS: loop number 33 T-loop= 410.00000000000000
main_MD> interactions number 33 at Temperature= 410.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45764 0.93173 5.01907
force_rgl> df(natom) 1.69391 1.55300 -0.60305
8005.0000 -59.67108 -58.34734 1.32373 1.82309 -58.16278 461.48786
8010.0000 -60.19952 -59.32172 0.87779 1.74257 -58.85128 382.54132
8015.0000 -59.96399 -58.68761 1.27638 1.72080 -59.03734 366.29508
8020.0000 -59.64230 -58.35728 1.28502 1.76267 -58.67937 430.07179
8025.0000 -60.04031 -58.45273 1.58758 1.80398 -58.32616 464.67009
8030.0000 -60.02693 -58.83790 1.18903 1.76019 -58.70058 392.28250
8035.0000 -60.12891 -58.91644 1.21246 1.75272 -58.76445 408.18470
8040.0000 -60.17117 -58.85884 1.31232 1.73931 -58.87915 389.47690
8045.0000 -60.48285 -59.03800 1.44485 1.71593 -59.07904 359.84270
8050.0000 -60.44771 -58.94700 1.50070 1.73225 -58.93945 387.48982
8055.0000 -59.99380 -58.97367 1.02012 1.71718 -59.06832 361.05814
8060.0000 -59.75454 -58.76669 0.98785 1.74066 -58.86760 387.13624
8065.0000 -59.98542 -58.76145 1.22397 1.75353 -58.75751 395.07831
8070.0000 -59.93788 -58.79347 1.14441 1.74490 -58.83133 389.76444
8075.0000 -60.07516 -58.26596 1.80920 1.74235 -58.85315 385.74955
8080.0000 -59.85890 -58.64629 1.21261 1.80128 -58.34928 459.11112
8085.0000 -59.26361 -57.98003 1.28358 1.82499 -58.14654 486.46766
8090.0000 -59.68798 -58.33625 1.35173 1.81457 -58.23564 469.16407
8095.0000 -60.12941 -58.53314 1.59627 1.79189 -58.42953 428.61150
8100.0000 -59.85708 -58.61307 1.24401 1.74008 -58.87250 376.64954
8105.0000 -60.12953 -58.78454 1.34499 1.77405 -58.58207 427.52349
8110.0000 -59.78351 -58.46347 1.32004 1.73583 -58.90889 389.25417
8115.0000 -60.05389 -58.51034 1.54355 1.76445 -58.66420 413.93923
8120.0000 -59.70831 -58.73519 0.97313 1.77987 -58.53235 425.27990
8125.0000 -60.16236 -59.05392 1.10843 1.74601 -58.82185 381.00051
8130.0000 -60.22340 -58.56466 1.65873 1.73617 -58.90594 377.32164
8135.0000 -60.14483 -58.69003 1.45479 1.77242 -58.59600 427.54811
8140.0000 -59.84569 -58.61773 1.22796 1.75117 -58.77768 395.80286
8145.0000 -60.44648 -59.19747 1.24901 1.75892 -58.71146 403.05364
8150.0000 -59.93961 -59.00729 0.93232 1.69408 -59.26585 313.94168
8155.0000 -60.29048 -59.07723 1.21324 1.74873 -58.79859 402.77818
8160.0000 -59.75447 -58.42327 1.33121 1.74404 -58.83869 393.67048
8165.0000 -60.08418 -58.46176 1.62241 1.77534 -58.57106 432.03019
8170.0000 -59.41550 -58.23997 1.17554 1.78636 -58.47687 445.40159
8175.0000 -60.24501 -58.89709 1.34791 1.76169 -58.68772 416.39926
8180.0000 -60.00064 -58.96133 1.03931 1.73432 -58.92173 378.62213
8185.0000 -60.26172 -59.38981 0.87191 1.72419 -59.00841 361.87223
8190.0000 -60.50519 -59.12427 1.38092 1.70157 -59.20182 329.51982
8195.0000 -60.22570 -58.91560 1.31010 1.70464 -59.17556 351.79445
8200.0000 -60.15903 -59.00469 1.15433 1.72425 -59.00789 384.28817
8205.0000 -60.26783 -58.80652 1.46131 1.73278 -58.93493 376.31232
8210.0000 -60.11940 -58.98434 1.13506 1.75704 -58.72752 400.38638
8215.0000 -59.86607 -58.18878 1.67728 1.74182 -58.85765 396.30452
8220.0000 -59.60279 -58.70967 0.89312 1.80356 -58.32974 451.57330
8225.0000 -59.70659 -58.57190 1.13469 1.76505 -58.65899 391.61161
8230.0000 -60.00533 -58.67625 1.32908 1.76425 -58.66585 399.57426
8235.0000 -59.99865 -59.04605 0.95260 1.76257 -58.68026 416.29079
8240.0000 -60.19103 -58.91017 1.28086 1.74821 -58.80304 387.92538
8245.0000 -59.95279 -58.43242 1.52037 1.76955 -58.62060 404.96603
8250.0000 -60.25285 -58.61551 1.63735 1.79193 -58.42922 452.68259
FREEZING PROCESS: loop number 34 T-loop= 385.00000000000000
main_MD> interactions number 34 at Temperature= 385.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.21838 0.02451 0.47724
force_rgl> df(natom) 0.43168 -0.03356 1.29885
8255.0000 -59.93549 -58.63063 1.30487 1.76166 -58.68804 410.57395
8260.0000 -59.83587 -58.75583 1.08004 1.76690 -58.64322 412.72834
8265.0000 -59.84169 -58.63610 1.20559 1.77216 -58.59823 411.42652
8270.0000 -60.09095 -58.90506 1.18589 1.76263 -58.67971 401.32701
8275.0000 -60.45922 -58.97702 1.48220 1.70215 -59.19680 333.03312
8280.0000 -60.28978 -59.23501 1.05477 1.74602 -58.82174 381.62743
8285.0000 -59.99760 -58.89292 1.10468 1.72560 -58.99631 370.63869
8290.0000 -59.99737 -58.90239 1.09498 1.74134 -58.86173 383.92085
8295.0000 -60.16997 -59.41057 0.75940 1.70333 -59.18671 344.76895
8300.0000 -60.53399 -59.55295 0.98104 1.66790 -59.48965 298.81432
8305.0000 -60.36000 -59.60111 0.75889 1.66628 -59.50349 288.09148
8310.0000 -60.43866 -59.36160 1.07706 1.69409 -59.26574 307.15233
8315.0000 -60.06008 -58.93913 1.12095 1.71330 -59.10146 353.24432
8320.0000 -60.27268 -59.20855 1.06414 1.72184 -59.02849 357.78995
8325.0000 -60.25643 -58.84844 1.40799 1.73566 -58.91034 377.08401
8330.0000 -60.22721 -58.88118 1.34603 1.74747 -58.80937 403.61153
8335.0000 -59.73372 -58.59257 1.14116 1.76340 -58.67316 406.51963
8340.0000 -59.79373 -58.23962 1.55411 1.79522 -58.40108 451.22188
8345.0000 -59.58062 -58.21650 1.36412 1.81060 -58.26959 484.84861
8350.0000 -60.13187 -59.06207 1.06980 1.76319 -58.67496 418.49840
8355.0000 -60.61578 -59.36811 1.24768 1.70252 -59.19367 321.38883
8360.0000 -60.58061 -59.21932 1.36129 1.70066 -59.20957 337.63979
8365.0000 -60.37177 -59.16923 1.20255 1.69297 -59.27534 322.23315
8370.0000 -60.02220 -58.91487 1.10732 1.73067 -58.95300 388.64785
8375.0000 -60.34855 -59.25505 1.09350 1.70321 -59.18777 333.22629
8380.0000 -60.03772 -58.58521 1.45251 1.73093 -58.95076 381.21328
8385.0000 -60.05122 -58.91963 1.13158 1.77374 -58.58472 425.88513
8390.0000 -59.73314 -58.63739 1.09575 1.74539 -58.82717 387.53301
8395.0000 -60.16871 -58.90056 1.26814 1.75159 -58.77408 390.38768
8400.0000 -59.96218 -58.88336 1.07882 1.72704 -58.98403 346.31617
8405.0000 -59.61284 -58.48162 1.13122 1.77635 -58.56240 418.15646
8410.0000 -60.03480 -58.70432 1.33048 1.78659 -58.47491 438.10698
8415.0000 -60.17518 -58.92061 1.25457 1.74569 -58.82454 405.09364
8420.0000 -59.87311 -58.92501 0.94810 1.74358 -58.84261 388.58241
8425.0000 -60.36615 -59.19312 1.17304 1.70612 -59.16292 343.47792
8430.0000 -60.22359 -59.33614 0.88745 1.69511 -59.25704 334.20554
8435.0000 -60.48892 -58.95367 1.53525 1.72084 -59.03702 350.86832
8440.0000 -60.36429 -58.59228 1.77201 1.72384 -59.01135 357.68139
8445.0000 -60.19631 -58.64517 1.55114 1.75465 -58.74797 406.67958
8450.0000 -60.06982 -59.01136 1.05847 1.75686 -58.72906 412.04518
8455.0000 -60.03365 -59.24010 0.79355 1.72111 -59.03474 358.49740
8460.0000 -60.27430 -59.08883 1.18547 1.71872 -59.05513 346.89996
8465.0000 -60.20560 -58.91570 1.28989 1.71793 -59.06194 348.34520
8470.0000 -60.03857 -59.01176 1.02681 1.75104 -58.77885 402.36078
8475.0000 -59.92346 -58.60802 1.31543 1.74204 -58.85577 376.58026
8480.0000 -60.15972 -58.96609 1.19363 1.74634 -58.81898 385.83354
8485.0000 -60.11370 -58.73696 1.37674 1.74793 -58.80544 373.77206
8490.0000 -60.37790 -58.84509 1.53281 1.74452 -58.83457 382.91513
8495.0000 -60.30360 -59.12092 1.18268 1.72111 -59.03470 358.16286
8500.0000 -59.97262 -58.29851 1.67411 1.75827 -58.71701 393.39375
FREEZING PROCESS: loop number 35 T-loop= 360.00000000000000
main_MD> interactions number 35 at Temperature= 360.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66109 3.69049 -2.71587
force_rgl> df(natom) -1.76421 0.54394 0.83489
8505.0000 -60.09130 -59.20240 0.88891 1.73984 -58.87454 350.68458
8510.0000 -60.13393 -59.22505 0.90889 1.71844 -59.05751 347.13020
8515.0000 -59.82736 -58.59672 1.23063 1.72835 -58.97283 342.07281
8520.0000 -60.24432 -58.98116 1.26315 1.76768 -58.63652 395.64870
8525.0000 -60.50750 -59.20556 1.30194 1.72793 -58.97637 361.50619
8530.0000 -60.38913 -59.54205 0.84708 1.67469 -59.43163 298.34546
8535.0000 -60.08687 -59.14821 0.93866 1.67544 -59.42515 319.06893
8540.0000 -60.41882 -58.94280 1.47602 1.71935 -59.04974 347.75072
8545.0000 -60.36696 -59.55303 0.81393 1.70239 -59.19477 334.80542
8550.0000 -60.50914 -59.23645 1.27269 1.68692 -59.32707 328.22800
8555.0000 -60.17302 -58.70535 1.46767 1.71874 -59.05495 359.23940
8560.0000 -60.30799 -59.16849 1.13950 1.72778 -58.97768 368.58979
8565.0000 -59.91522 -58.76744 1.14778 1.73236 -58.93856 379.02723
8570.0000 -60.20682 -59.14417 1.06265 1.76410 -58.66714 404.21655
8575.0000 -60.23835 -58.83984 1.39850 1.72586 -58.99409 361.69630
8580.0000 -60.39215 -59.29396 1.09819 1.70955 -59.13352 356.25889
8585.0000 -60.46554 -59.34825 1.11729 1.68966 -59.30359 321.31267
8590.0000 -59.97829 -59.04059 0.93770 1.71676 -59.07192 358.88075
8595.0000 -59.81066 -58.89173 0.91892 1.72726 -58.98212 376.37884
8600.0000 -60.26215 -59.19719 1.06496 1.68918 -59.30768 327.05527
8605.0000 -59.73986 -58.46282 1.27704 1.73613 -58.90629 382.57237
8610.0000 -60.07622 -58.90793 1.16829 1.75070 -58.78174 382.40965
8615.0000 -60.29906 -58.78172 1.51734 1.76130 -58.69109 411.32253
8620.0000 -60.13892 -59.11328 1.02564 1.71441 -59.09199 347.26092
8625.0000 -60.11841 -58.89158 1.22683 1.72285 -59.01983 361.75868
8630.0000 -60.29325 -58.79806 1.49519 1.76498 -58.65965 427.35727
8635.0000 -60.04249 -58.55960 1.48289 1.76610 -58.65003 422.89953
8640.0000 -59.88649 -58.93195 0.95454 1.72964 -58.96180 382.41004
8645.0000 -60.00597 -58.78661 1.21936 1.73264 -58.93617 381.21636
8650.0000 -59.86402 -58.64115 1.22287 1.75768 -58.72202 405.15054
8655.0000 -60.42965 -59.06998 1.35967 1.72186 -59.02833 366.56721
8660.0000 -59.67713 -58.74744 0.92969 1.74391 -58.83979 407.41070
8665.0000 -59.97461 -58.84315 1.13146 1.70052 -59.21075 331.57282
8670.0000 -59.97172 -58.76436 1.20736 1.75026 -58.78547 398.65195
8675.0000 -60.77438 -59.26791 1.50647 1.71594 -59.07890 357.87349
8680.0000 -60.23357 -59.32630 0.90727 1.69353 -59.27056 336.11882
8685.0000 -60.22589 -59.26577 0.96013 1.68277 -59.36255 322.27086
8690.0000 -60.16294 -59.02719 1.13575 1.71693 -59.07041 348.44577
8695.0000 -60.35954 -59.24997 1.10957 1.69006 -59.30019 322.63054
8700.0000 -60.42227 -59.37149 1.05078 1.69923 -59.22175 337.45891
8705.0000 -60.33267 -59.37372 0.95895 1.67861 -59.39811 318.34202
8710.0000 -59.96385 -58.84590 1.11795 1.72856 -58.97102 355.71104
8715.0000 -60.27683 -59.52784 0.74899 1.70423 -59.17901 323.74049
8720.0000 -60.39855 -59.50500 0.89355 1.68223 -59.36712 309.35407
8725.0000 -60.08807 -59.25949 0.82858 1.68341 -59.35704 308.04027
8730.0000 -60.01397 -59.13377 0.88021 1.71081 -59.12281 347.87701
8735.0000 -60.38258 -59.41149 0.97109 1.70522 -59.17061 346.73806
8740.0000 -60.31005 -59.06390 1.24615 1.70241 -59.19463 344.13476
8745.0000 -60.12266 -58.79655 1.32611 1.75435 -58.75050 385.70962
8750.0000 -59.49988 -58.31374 1.18614 1.78431 -58.49434 416.44927
FREEZING PROCESS: loop number 36 T-loop= 335.00000000000000
main_MD> interactions number 36 at Temperature= 335.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08048 -2.84460 0.73310
force_rgl> df(natom) -0.56184 -0.69020 -0.55669
8755.0000 -60.31325 -59.16021 1.15304 1.74787 -58.80596 340.31404
8760.0000 -60.28639 -59.24594 1.04045 1.69745 -59.23705 314.92015
8765.0000 -60.48866 -59.45525 1.03341 1.66729 -59.49484 297.25483
8770.0000 -60.30413 -58.91901 1.38512 1.69887 -59.22484 338.11676
8775.0000 -60.64636 -59.59160 1.05476 1.69272 -59.27742 329.42148
8780.0000 -60.33332 -59.37454 0.95878 1.68709 -59.32558 324.88287
8785.0000 -60.30316 -59.10911 1.19405 1.69844 -59.22850 335.25610
8790.0000 -60.18698 -59.24173 0.94526 1.74064 -58.86773 372.91550
8795.0000 -60.08069 -58.96915 1.11154 1.71118 -59.11959 359.27189
8800.0000 -60.45552 -59.23999 1.21553 1.71890 -59.05362 373.87415
8805.0000 -60.45630 -59.27423 1.18207 1.69812 -59.23129 333.50030
8810.0000 -60.46552 -59.43334 1.03219 1.68939 -59.30596 328.19381
8815.0000 -60.28266 -59.25433 1.02833 1.69418 -59.26497 332.98106
8820.0000 -60.49710 -59.33605 1.16105 1.68581 -59.33653 308.11208
8825.0000 -59.97080 -58.92631 1.04449 1.72455 -59.00528 372.11099
8830.0000 -59.92449 -59.22792 0.69656 1.72563 -58.99604 374.50213
8835.0000 -59.94199 -58.88054 1.06146 1.73465 -58.91893 377.79860
8840.0000 -60.42724 -59.37568 1.05156 1.72756 -58.97958 360.73668
8845.0000 -60.08639 -59.33365 0.75274 1.68251 -59.36471 317.55746
8850.0000 -60.11757 -59.00682 1.11076 1.70102 -59.20646 331.59760
8855.0000 -60.30641 -59.12490 1.18151 1.72618 -58.99138 369.41313
8860.0000 -60.28527 -59.24761 1.03766 1.69767 -59.23508 332.45180
8865.0000 -60.33278 -59.38458 0.94820 1.70021 -59.21344 330.74746
8870.0000 -60.23374 -59.20470 1.02904 1.69537 -59.25482 324.53255
8875.0000 -60.37356 -59.34497 1.02859 1.69187 -59.28468 315.97759
8880.0000 -60.22832 -59.04922 1.17910 1.69024 -59.29865 306.18342
8885.0000 -60.28189 -59.22878 1.05311 1.72420 -59.00827 361.19628
8890.0000 -60.26071 -59.32310 0.93761 1.70055 -59.21051 331.31755
8895.0000 -60.17014 -59.05337 1.11677 1.72315 -59.01729 365.47805
8900.0000 -60.17769 -59.16940 1.00830 1.69517 -59.25647 336.02569
8905.0000 -59.91513 -58.54464 1.37049 1.75130 -58.77659 405.38723
8910.0000 -60.22468 -58.85929 1.36539 1.76859 -58.62875 428.34310
8915.0000 -60.47373 -59.37779 1.09594 1.70071 -59.20916 338.12954
8920.0000 -60.54492 -59.53767 1.00726 1.67460 -59.43239 297.80407
8925.0000 -60.32063 -59.33027 0.99036 1.68593 -59.33548 320.52213
8930.0000 -60.20471 -59.25141 0.95330 1.70780 -59.14848 345.15498
8935.0000 -60.23882 -59.18462 1.05420 1.68824 -59.31573 301.06224
8940.0000 -60.45434 -59.13803 1.31631 1.70620 -59.16220 332.03323
8945.0000 -60.11401 -59.00988 1.10414 1.69664 -59.24394 317.13972
8950.0000 -60.16361 -59.01796 1.14565 1.71858 -59.05639 359.41689
8955.0000 -60.09421 -59.07506 1.01915 1.69696 -59.24122 318.38797
8960.0000 -60.17423 -58.98235 1.19187 1.74316 -58.84620 376.57118
8965.0000 -60.56304 -59.49821 1.06484 1.70558 -59.16754 333.38701
8970.0000 -60.38415 -59.46276 0.92139 1.69501 -59.25786 330.67998
8975.0000 -60.34500 -58.74126 1.60374 1.68115 -59.37636 316.98926
8980.0000 -60.52363 -59.11047 1.41316 1.72188 -59.02814 367.54792
8985.0000 -60.55147 -59.77764 0.77383 1.69900 -59.22377 327.08870
8990.0000 -60.53464 -59.46180 1.07284 1.64517 -59.68395 275.57012
8995.0000 -60.45253 -59.62198 0.83055 1.67965 -59.38919 310.75210
9000.0000 -60.26366 -59.36215 0.90151 1.66111 -59.54769 296.85444
FREEZING PROCESS: loop number 37 T-loop= 310.00000000000000
main_MD> interactions number 37 at Temperature= 310.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29826 -1.25696 -1.63832
force_rgl> df(natom) 0.17109 0.41854 -0.07835
9005.0000 -60.40524 -59.43975 0.96548 1.67903 -59.39448 313.58326
9010.0000 -60.57193 -59.48608 1.08586 1.68708 -59.32565 318.65205
9015.0000 -60.20120 -59.28943 0.91178 1.64551 -59.68105 267.66019
9020.0000 -60.38018 -59.60327 0.77691 1.67686 -59.41304 311.30603
9025.0000 -60.59218 -59.56412 1.02807 1.65517 -59.59850 272.08628
9030.0000 -60.53591 -59.38140 1.15450 1.66290 -59.53244 290.47654
9035.0000 -60.18603 -59.19596 0.99007 1.68429 -59.34949 313.36739
9040.0000 -60.37585 -59.51473 0.86112 1.68345 -59.35674 326.04910
9045.0000 -60.47590 -59.47773 0.99817 1.67426 -59.43527 308.99113
9050.0000 -60.49309 -59.31858 1.17451 1.65914 -59.56454 293.05170
9055.0000 -60.52078 -59.48869 1.03209 1.66400 -59.52303 308.41769
9060.0000 -60.71752 -59.78951 0.92801 1.65150 -59.62987 278.82110
9065.0000 -60.48051 -59.32006 1.16046 1.66495 -59.51488 299.95924
9070.0000 -60.33969 -59.29609 1.04361 1.69631 -59.24671 329.74809
9075.0000 -60.12343 -59.08926 1.03417 1.69892 -59.22446 321.98371
9080.0000 -60.51301 -59.66006 0.85296 1.67856 -59.39855 310.79090
9085.0000 -60.16854 -59.40788 0.76067 1.67252 -59.45012 307.84640
9090.0000 -60.16566 -59.02814 1.13752 1.68647 -59.33092 310.90944
9095.0000 -60.36278 -59.27522 1.08756 1.70465 -59.17547 329.12797
9100.0000 -60.23328 -59.38785 0.84543 1.67520 -59.42720 306.45378
9105.0000 -60.58184 -59.39994 1.18190 1.67032 -59.46900 296.27658
9110.0000 -60.68831 -59.75977 0.92854 1.66165 -59.54309 292.37043
9115.0000 -60.51981 -59.47844 1.04137 1.64726 -59.66611 270.17685
9120.0000 -60.35014 -59.32404 1.02610 1.68119 -59.37603 306.52918
9125.0000 -60.42417 -59.42190 1.00226 1.70593 -59.16448 339.31045
9130.0000 -60.02511 -59.24110 0.78401 1.69731 -59.23817 327.69259
9135.0000 -60.08496 -58.80331 1.28164 1.72859 -58.97080 361.90159
9140.0000 -60.18200 -59.22548 0.95653 1.70852 -59.14238 355.66037
9145.0000 -60.37728 -59.47791 0.89938 1.69635 -59.24638 323.20519
9150.0000 -60.41366 -59.34652 1.06713 1.66926 -59.47803 296.08437
9155.0000 -60.31378 -59.09019 1.22359 1.70165 -59.20107 335.91192
9160.0000 -60.34006 -59.31334 1.02672 1.69421 -59.26469 332.22259
9165.0000 -60.21485 -59.30844 0.90640 1.70308 -59.18890 336.91981
9170.0000 -60.47070 -59.53469 0.93601 1.69483 -59.25937 325.45891
9175.0000 -60.38032 -59.69488 0.68544 1.66180 -59.54184 286.67459
9180.0000 -60.39085 -59.06020 1.33065 1.69088 -59.29320 320.73275
9185.0000 -60.45881 -59.18968 1.26913 1.68723 -59.32440 311.97458
9190.0000 -60.62326 -59.68624 0.93702 1.67835 -59.40029 317.47763
9195.0000 -60.67777 -59.81172 0.86605 1.62517 -59.85497 249.84333
9200.0000 -60.60544 -59.51358 1.09187 1.63565 -59.76541 256.71577
9205.0000 -60.57892 -59.83669 0.74222 1.65323 -59.61507 279.96499
9210.0000 -60.69614 -59.55121 1.14493 1.63845 -59.74142 266.53585
9215.0000 -60.40895 -59.58462 0.82433 1.66575 -59.50804 296.60883
9220.0000 -60.44607 -59.52510 0.92097 1.64692 -59.66903 263.46913
9225.0000 -60.42463 -59.60912 0.81551 1.67038 -59.46845 297.63679
9230.0000 -60.17754 -58.89878 1.27875 1.68233 -59.36631 308.41357
9235.0000 -60.23085 -59.07473 1.15612 1.74240 -58.85272 373.47961
9240.0000 -60.38150 -59.37171 1.00979 1.71084 -59.12249 341.76338
9245.0000 -60.29955 -59.31457 0.98498 1.70073 -59.20900 335.85245
9250.0000 -60.45002 -59.64426 0.80575 1.68481 -59.34510 312.23398
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 26.5893645 [s].
main_MD> Deallocating global variables
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