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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_22/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_22.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 = 22 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1950
main_MD> Size of nv and nvoiz: 22 2200
main_MD> Size of nv and nvoiz: 22 2200
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 = 22
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> -4.2107727129248283E-002 -0.14827867898127003 -0.24890061102073055 initial drift of cluster / NP1 for coalescence
init> 0.38494210270007068 0.39367925080341232 0.22849135310706686 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8351994154141771E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.29464 6.57280 0.52082
force_rgl> df(natom) 1.67872 4.34683 -0.71824
preparo> THERMALIZATION PROCESS AT 1283.6131931285368
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -44.681867338560124 3.1776876323650107 -47.859554970925139 5.9161144982287266E-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 39
FREEZING PROCESS: loop number 1 T-loop= 1251.0000000000000
main_MD> interactions number 1 at Temperature= 1251.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.27766 -0.18207 8.93705
force_rgl> df(natom) -1.00552 -1.23412 0.33439
5.0000 -47.36297 -42.40131 4.96166 2.66162 -44.00249 1305.35951
10.0000 -47.42467 -43.88658 3.53809 2.73342 -43.43876 1404.21540
15.0000 -48.25966 -44.70063 3.55903 2.57847 -44.65535 1226.46053
20.0000 -48.46860 -45.29840 3.17020 2.53279 -45.01401 1193.94291
25.0000 -49.07772 -45.57503 3.50269 2.52570 -45.06965 1206.29368
30.0000 -48.48419 -45.49269 2.99150 2.47986 -45.42956 1178.35987
35.0000 -49.39493 -46.34574 3.04919 2.37680 -46.23876 1018.88225
40.0000 -48.88331 -45.35600 3.52731 2.37483 -46.25418 1081.75457
45.0000 -47.90951 -42.89318 5.01632 2.54552 -44.91404 1272.43723
50.0000 -48.29070 -44.59057 3.70013 2.67086 -43.92993 1352.29820
55.0000 -48.76501 -45.52607 3.23894 2.47349 -45.47960 1258.85179
60.0000 -49.90392 -46.47733 3.42659 2.40165 -46.04365 1097.79466
65.0000 -48.55715 -45.18122 3.37592 2.40808 -45.99313 1045.18321
70.0000 -48.92872 -44.91480 4.01391 2.48382 -45.39849 1249.86415
75.0000 -46.44606 -43.55801 2.88805 2.58030 -44.64099 1274.16059
80.0000 -48.80981 -44.50201 4.30780 2.71621 -43.57386 1355.72915
85.0000 -49.93226 -46.25054 3.68172 2.48405 -45.39668 1097.50523
90.0000 -48.68955 -45.76357 2.92598 2.38686 -46.15973 1111.51457
95.0000 -49.54351 -46.50078 3.04273 2.41642 -45.92762 1128.21793
100.0000 -48.47768 -45.51322 2.96447 2.34372 -46.49843 1057.56302
105.0000 -49.02250 -46.43865 2.58385 2.36043 -46.36722 1084.10287
110.0000 -48.73628 -44.88179 3.85450 2.51978 -45.11612 1205.93440
115.0000 -48.58731 -44.92607 3.66124 2.57006 -44.72138 1255.45887
120.0000 -47.82346 -44.22633 3.59713 2.54749 -44.89860 1229.55225
125.0000 -48.39618 -44.20804 4.18813 2.66996 -43.93704 1330.10421
130.0000 -49.35844 -46.32388 3.03456 2.46274 -45.56402 1171.39524
135.0000 -48.90627 -45.95435 2.95193 2.45733 -45.60645 1107.34116
140.0000 -49.69074 -46.17821 3.51253 2.40869 -45.98837 1107.21926
145.0000 -49.58992 -46.42513 3.16480 2.40516 -46.01608 1155.97830
150.0000 -49.50120 -46.51337 2.98783 2.41325 -45.95256 1096.58835
155.0000 -49.05280 -45.68171 3.37109 2.34259 -46.50730 1041.52613
160.0000 -48.08548 -45.22758 2.85790 2.52647 -45.06365 1172.90564
165.0000 -48.30064 -45.08854 3.21211 2.46809 -45.52201 1167.45409
170.0000 -48.19593 -44.43907 3.75686 2.61706 -44.35239 1291.26789
175.0000 -49.12836 -46.48534 2.64302 2.52965 -45.03861 1219.99461
180.0000 -49.53161 -46.87263 2.65898 2.28042 -46.99548 949.78409
185.0000 -48.81898 -45.12096 3.69802 2.33484 -46.56818 1042.34797
190.0000 -48.02533 -43.83905 4.18627 2.68220 -43.84095 1352.00220
195.0000 -49.35018 -44.69717 4.65301 2.58598 -44.59639 1302.47555
200.0000 -46.19512 -42.84650 3.34863 2.64090 -44.16516 1313.88938
205.0000 -47.98551 -44.14991 3.83560 2.77798 -43.08891 1509.98879
210.0000 -47.71436 -42.68875 5.02560 2.81946 -42.76321 1526.41813
215.0000 -48.80079 -44.30743 4.49336 2.67234 -43.91832 1379.66482
220.0000 -48.82391 -45.70961 3.11431 2.63411 -44.21847 1286.94642
225.0000 -49.20902 -45.33032 3.87870 2.44982 -45.66538 1157.78531
230.0000 -47.52365 -44.63761 2.88604 2.63184 -44.23631 1329.64324
235.0000 -48.62909 -45.13740 3.49169 2.56897 -44.72996 1225.59284
240.0000 -48.41089 -45.81657 2.59432 2.43389 -45.79046 1069.58936
245.0000 -48.08836 -44.22365 3.86472 2.54034 -44.95475 1217.64277
250.0000 -48.57150 -44.10159 4.46991 2.64394 -44.14133 1356.48672
FREEZING PROCESS: loop number 2 T-loop= 1226.0000000000000
main_MD> interactions number 2 at Temperature= 1226.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.02805 3.31011 1.19711
force_rgl> df(natom) 4.62986 2.91959 2.36019
255.0000 -47.91057 -44.28797 3.62260 2.61840 -44.34185 1280.15539
260.0000 -48.21533 -44.41113 3.80420 2.61311 -44.38334 1326.85416
265.0000 -48.27432 -44.62501 3.64932 2.63252 -44.23097 1407.94948
270.0000 -47.66418 -44.13402 3.53015 2.54788 -44.89552 1265.80991
275.0000 -49.60757 -45.03410 4.57347 2.60682 -44.43276 1218.36383
280.0000 -49.23836 -45.57105 3.66730 2.47623 -45.45807 1301.81425
285.0000 -48.22844 -43.93948 4.28896 2.55515 -44.83842 1241.47121
290.0000 -48.19939 -43.95937 4.24003 2.66928 -43.94234 1379.46433
295.0000 -48.47214 -45.75922 2.71291 2.61902 -44.33693 1312.56087
300.0000 -50.54116 -47.29605 3.24511 2.29114 -46.91129 986.53079
305.0000 -49.56651 -47.19942 2.36709 2.26371 -47.12662 1006.43114
310.0000 -49.22675 -46.25114 2.97560 2.26575 -47.11062 959.99458
315.0000 -48.70609 -44.95687 3.74922 2.59288 -44.54218 1323.08003
320.0000 -48.18204 -43.98052 4.20152 2.57111 -44.71311 1352.24153
325.0000 -48.91040 -45.35232 3.55809 2.60377 -44.45666 1295.78314
330.0000 -49.12704 -45.75592 3.37112 2.51544 -45.15020 1181.54069
335.0000 -49.11275 -45.26135 3.85141 2.53637 -44.98587 1248.17588
340.0000 -49.47007 -45.19358 4.27648 2.48417 -45.39575 1201.56105
345.0000 -48.96290 -45.36640 3.59650 2.45586 -45.61800 1166.66920
350.0000 -49.30359 -46.74876 2.55482 2.37958 -46.21688 1049.55166
355.0000 -48.81717 -45.98716 2.83001 2.34552 -46.48436 1008.17605
360.0000 -48.18967 -45.30555 2.88413 2.44591 -45.69613 1122.77034
365.0000 -48.35314 -45.23172 3.12142 2.50675 -45.21844 1173.55070
370.0000 -49.16296 -45.32689 3.83607 2.56935 -44.72694 1265.04840
375.0000 -47.44069 -44.03598 3.40472 2.57551 -44.67861 1269.43737
380.0000 -46.92410 -43.00738 3.91671 2.65405 -44.06190 1228.29240
385.0000 -49.56234 -46.20510 3.35724 2.48040 -45.42536 1157.62911
390.0000 -48.58677 -45.56076 3.02601 2.51890 -45.12302 1206.79215
395.0000 -47.75082 -44.66602 3.08480 2.49450 -45.31464 1161.70870
400.0000 -49.29307 -47.35169 1.94138 2.42651 -45.84844 1109.33859
405.0000 -48.62021 -45.80196 2.81825 2.36533 -46.32878 1065.62165
410.0000 -50.17538 -45.94959 4.22579 2.37554 -46.24866 1075.79015
415.0000 -48.03841 -44.47329 3.56511 2.47671 -45.45429 1152.91405
420.0000 -48.49508 -44.15496 4.34013 2.53276 -45.01424 1195.95795
425.0000 -48.51096 -44.41028 4.10068 2.65295 -44.07055 1282.36139
430.0000 -48.17937 -44.99887 3.18050 2.64914 -44.10047 1336.09279
435.0000 -48.86495 -44.36767 4.49728 2.56904 -44.72940 1221.38777
440.0000 -49.18430 -44.85902 4.32528 2.59571 -44.51999 1302.59798
445.0000 -48.21307 -44.60220 3.61087 2.56463 -44.76399 1288.48957
450.0000 -48.19788 -43.48433 4.71355 2.60218 -44.46915 1267.47866
455.0000 -49.69620 -46.19161 3.50459 2.58789 -44.58135 1304.97487
460.0000 -49.47650 -46.23151 3.24499 2.53472 -44.99886 1227.68840
465.0000 -48.22122 -44.76093 3.46029 2.43637 -45.77103 1052.13741
470.0000 -47.98957 -44.48384 3.50573 2.67475 -43.89943 1420.82145
475.0000 -48.65106 -44.86378 3.78727 2.46336 -45.55914 1139.16158
480.0000 -48.21167 -45.22285 2.98882 2.51582 -45.14723 1126.43460
485.0000 -48.60572 -45.09009 3.51563 2.51108 -45.18441 1217.56819
490.0000 -47.84867 -44.83226 3.01641 2.47883 -45.43762 1141.99028
495.0000 -47.52742 -44.31692 3.21050 2.60068 -44.48097 1310.23779
500.0000 -47.50505 -44.86245 2.64260 2.60118 -44.47702 1237.90618
FREEZING PROCESS: loop number 3 T-loop= 1201.0000000000000
main_MD> interactions number 3 at Temperature= 1201.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59942 0.02349 1.36248
force_rgl> df(natom) -0.85827 3.94554 -1.66143
505.0000 -49.18591 -45.25694 3.92897 2.59850 -44.49810 1259.07346
510.0000 -49.09374 -45.17357 3.92016 2.51245 -45.17371 1136.28979
515.0000 -49.65666 -45.71357 3.94310 2.61054 -44.40357 1329.96994
520.0000 -50.93763 -48.07507 2.86256 2.28508 -46.95889 1013.69177
525.0000 -49.51902 -46.35693 3.16209 2.22604 -47.42245 920.00051
530.0000 -49.43014 -45.96923 3.46092 2.41668 -45.92560 1108.16647
535.0000 -48.88210 -46.11501 2.76708 2.40889 -45.98680 1090.91305
540.0000 -49.36037 -44.91896 4.44140 2.49111 -45.34122 1189.21468
545.0000 -49.29606 -44.86289 4.43317 2.57386 -44.69150 1285.41660
550.0000 -48.78677 -46.29376 2.49301 2.43620 -45.77233 1119.72301
555.0000 -49.04571 -46.80027 2.24544 2.43833 -45.75561 1111.07305
560.0000 -48.45369 -43.59675 4.85693 2.46982 -45.50838 1115.27717
565.0000 -47.73434 -44.36617 3.36816 2.57937 -44.64829 1268.16621
570.0000 -49.49307 -45.64355 3.84952 2.59624 -44.51584 1288.55056
575.0000 -49.50605 -46.36491 3.14114 2.39494 -46.09633 1099.69523
580.0000 -49.93713 -46.30494 3.63219 2.31899 -46.69261 1061.12434
585.0000 -49.19852 -45.98955 3.20897 2.35721 -46.39251 1027.77424
590.0000 -49.26022 -45.34310 3.91711 2.41266 -45.95719 1083.89604
595.0000 -49.18689 -45.91097 3.27592 2.50213 -45.25469 1194.78247
600.0000 -49.23335 -45.74105 3.49229 2.43601 -45.77382 1106.05602
605.0000 -49.18200 -45.20621 3.97579 2.47418 -45.47413 1173.23330
610.0000 -48.47984 -45.19051 3.28933 2.46576 -45.54023 1180.80128
615.0000 -49.63010 -46.73697 2.89313 2.37599 -46.24512 1089.19914
620.0000 -49.90910 -45.85665 4.05245 2.35015 -46.44795 1088.20266
625.0000 -47.98294 -45.20996 2.77298 2.45443 -45.62922 1192.28126
630.0000 -48.21332 -44.92666 3.28666 2.48006 -45.42802 1130.60183
635.0000 -47.37927 -43.71821 3.66106 2.72447 -43.50900 1397.85706
640.0000 -45.16027 -42.17203 2.98823 2.71147 -43.61107 1311.74780
645.0000 -46.76359 -42.62322 4.14037 2.77932 -43.07839 1504.43754
650.0000 -48.68902 -45.40442 3.28459 2.63047 -44.24708 1346.05218
655.0000 -49.11032 -45.18757 3.92275 2.49097 -45.34235 1127.55021
660.0000 -48.31164 -45.67652 2.63512 2.43802 -45.75807 1159.37533
665.0000 -49.36650 -46.93203 2.43447 2.28798 -46.93608 972.01585
670.0000 -49.22602 -45.50072 3.72530 2.33527 -46.56480 1039.75897
675.0000 -47.67973 -44.50168 3.17805 2.48690 -45.37427 1145.46879
680.0000 -48.08985 -43.42864 4.66121 2.71326 -43.59707 1299.77872
685.0000 -48.11553 -44.70092 3.41460 2.66779 -43.95408 1283.49347
690.0000 -48.24693 -44.24558 4.00135 2.63547 -44.20782 1285.46818
695.0000 -49.69739 -46.67628 3.02112 2.49077 -45.34390 1204.31554
700.0000 -48.87585 -45.51186 3.36399 2.46893 -45.51541 1221.58796
705.0000 -48.50208 -44.96294 3.53914 2.45359 -45.63583 1197.81845
710.0000 -48.11480 -45.07255 3.04225 2.49618 -45.30143 1195.53222
715.0000 -47.99601 -44.16654 3.82947 2.57517 -44.68126 1227.99906
720.0000 -49.07295 -45.48937 3.58358 2.50905 -45.20037 1205.22018
725.0000 -48.77392 -45.72682 3.04710 2.48145 -45.41708 1134.04053
730.0000 -48.58801 -45.64798 2.94003 2.43843 -45.75482 1104.72573
735.0000 -49.92795 -45.52092 4.40703 2.48241 -45.40957 1188.21121
740.0000 -49.21618 -46.32642 2.88976 2.40698 -46.00178 1110.77011
745.0000 -47.01068 -44.18513 2.82555 2.54736 -44.89962 1250.99998
750.0000 -48.20911 -44.80926 3.39985 2.55704 -44.82360 1206.69892
FREEZING PROCESS: loop number 4 T-loop= 1176.0000000000000
main_MD> interactions number 4 at Temperature= 1176.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88358 -0.53772 -7.44042
force_rgl> df(natom) -2.24654 -1.26037 -0.96795
755.0000 -48.56920 -45.76186 2.80734 2.46679 -45.53219 1148.16814
760.0000 -48.05423 -45.48380 2.57043 2.52968 -45.03839 1202.48135
765.0000 -49.75375 -46.35159 3.40217 2.49473 -45.31281 1173.83993
770.0000 -49.27869 -46.09014 3.18855 2.34443 -46.49292 1107.33904
775.0000 -48.71712 -46.97878 1.73834 2.30730 -46.78441 1040.88116
780.0000 -47.47438 -44.13109 3.34328 2.41865 -45.91015 1106.74556
785.0000 -48.24976 -45.31224 2.93752 2.57083 -44.71531 1280.91948
790.0000 -47.50167 -43.67240 3.82927 2.58729 -44.58611 1250.64190
795.0000 -48.60176 -45.05773 3.54402 2.59536 -44.52270 1257.57905
800.0000 -49.30200 -46.09671 3.20529 2.38220 -46.19632 1064.66584
805.0000 -50.02252 -46.97007 3.05245 2.29801 -46.85734 993.85044
810.0000 -48.35520 -44.83573 3.51948 2.34316 -46.50282 1003.36447
815.0000 -48.78698 -44.36492 4.42206 2.56803 -44.73730 1237.97628
820.0000 -49.74261 -45.34293 4.39968 2.58206 -44.62711 1277.08725
825.0000 -48.67852 -44.52193 4.15659 2.57578 -44.67645 1282.96362
830.0000 -48.57798 -45.24071 3.33727 2.50742 -45.21314 1253.18418
835.0000 -49.07523 -45.54702 3.52820 2.47471 -45.47004 1144.57179
840.0000 -50.25522 -47.41446 2.84077 2.34999 -46.44927 979.61107
845.0000 -48.61456 -44.66468 3.94989 2.56603 -44.75300 1202.22287
850.0000 -48.26812 -43.53707 4.73105 2.63952 -44.17601 1328.90442
855.0000 -48.30178 -45.20479 3.09699 2.56278 -44.77855 1282.77894
860.0000 -48.03886 -45.01833 3.02053 2.52905 -45.04335 1207.51496
865.0000 -48.70696 -45.61715 3.08981 2.43889 -45.75123 1033.74335
870.0000 -46.35427 -43.19992 3.15436 2.57153 -44.70982 1232.58866
875.0000 -48.64591 -45.70288 2.94302 2.67520 -43.89586 1376.96913
880.0000 -48.85411 -46.38336 2.47074 2.36538 -46.32843 1015.40594
885.0000 -49.17980 -45.85334 3.32646 2.38348 -46.18628 1090.30892
890.0000 -49.93080 -46.99060 2.94020 2.31530 -46.72163 1057.29357
895.0000 -47.94609 -44.81065 3.13544 2.45956 -45.58893 1167.23559
900.0000 -48.52193 -45.88920 2.63274 2.48430 -45.39474 1184.60063
905.0000 -48.30516 -46.10260 2.20256 2.43975 -45.74447 1101.22215
910.0000 -49.36275 -46.43614 2.92661 2.35461 -46.41296 1041.24808
915.0000 -48.34424 -44.88416 3.46008 2.48716 -45.37223 1164.47245
920.0000 -48.90217 -44.26331 4.63886 2.62622 -44.28042 1319.61371
925.0000 -48.94783 -45.64825 3.29957 2.57911 -44.65031 1279.42051
930.0000 -48.57419 -45.62081 2.95338 2.51653 -45.14168 1204.35429
935.0000 -49.45577 -46.86848 2.58730 2.36111 -46.36196 1072.88380
940.0000 -49.48672 -44.94189 4.54482 2.44461 -45.70632 1088.72865
945.0000 -48.45650 -44.87900 3.57750 2.57787 -44.66001 1262.78188
950.0000 -47.84196 -44.57575 3.26621 2.55232 -44.86065 1234.23055
955.0000 -48.20296 -45.88646 2.31650 2.49765 -45.28992 1188.89910
960.0000 -48.93984 -45.45974 3.48011 2.39290 -46.11230 1096.32740
965.0000 -48.66157 -45.69053 2.97105 2.42482 -45.86173 1089.68200
970.0000 -49.00508 -45.72164 3.28344 2.41180 -45.96395 1049.54894
975.0000 -49.07060 -45.76909 3.30151 2.40772 -45.99599 1103.25706
980.0000 -49.80869 -45.95840 3.85029 2.45006 -45.66350 1152.03460
985.0000 -48.20845 -45.25653 2.95192 2.49235 -45.33149 1149.10313
990.0000 -47.30652 -43.72483 3.58169 2.58866 -44.57532 1241.21405
995.0000 -47.12174 -43.70606 3.41568 2.68729 -43.80091 1352.16671
1000.0000 -47.74044 -44.78908 2.95137 2.63754 -44.19158 1323.80177
FREEZING PROCESS: loop number 5 T-loop= 1151.0000000000000
main_MD> interactions number 5 at Temperature= 1151.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77064 0.73391 -0.24513
force_rgl> df(natom) 3.25963 -5.94215 2.21464
1005.0000 -48.94472 -45.24245 3.70227 2.53035 -45.03311 1183.60200
1010.0000 -49.12211 -46.49625 2.62586 2.36685 -46.31688 1004.53098
1015.0000 -48.71174 -46.28725 2.42449 2.34507 -46.48787 1011.73918
1020.0000 -49.14200 -45.22221 3.91979 2.52825 -45.04960 1286.01563
1025.0000 -48.96317 -45.88215 3.08102 2.44167 -45.72940 1143.88588
1030.0000 -47.77658 -44.73765 3.03892 2.48198 -45.41293 1159.06042
1035.0000 -48.78179 -45.51584 3.26595 2.44776 -45.68156 1145.75225
1040.0000 -49.71654 -46.04639 3.67015 2.42939 -45.82584 1116.32421
1045.0000 -48.93870 -45.51524 3.42345 2.43217 -45.80400 1114.79352
1050.0000 -48.50654 -45.92265 2.58390 2.44043 -45.73912 1159.07947
1055.0000 -49.35358 -46.44325 2.91033 2.39115 -46.12607 1096.89376
1060.0000 -48.35230 -45.71637 2.63592 2.43580 -45.77551 1086.31650
1065.0000 -48.69966 -44.80046 3.89920 2.45247 -45.64461 1169.39675
1070.0000 -49.19641 -45.76592 3.43050 2.52525 -45.07317 1194.94120
1075.0000 -48.48887 -45.67391 2.81497 2.47119 -45.49764 1182.34747
1080.0000 -48.61196 -44.93584 3.67612 2.50801 -45.20856 1223.82163
1085.0000 -48.15529 -45.00506 3.15023 2.52384 -45.08426 1172.87184
1090.0000 -47.81852 -44.97786 2.84066 2.54131 -44.94708 1264.95324
1095.0000 -49.53637 -46.90879 2.62758 2.47454 -45.47137 1211.14097
1100.0000 -49.45536 -46.79217 2.66319 2.28161 -46.98608 946.81624
1105.0000 -49.54854 -46.19829 3.35024 2.37289 -46.26947 1099.93016
1110.0000 -48.73485 -44.90777 3.82707 2.45202 -45.64814 1224.78039
1115.0000 -49.04559 -45.33918 3.70641 2.53026 -45.03388 1257.59521
1120.0000 -48.75317 -45.01994 3.73323 2.53969 -44.95982 1245.50677
1125.0000 -49.31614 -46.76520 2.55094 2.46099 -45.57770 1173.05342
1130.0000 -49.67393 -45.59085 4.08308 2.40288 -46.03397 1138.64566
1135.0000 -47.95757 -44.07126 3.88632 2.67897 -43.86625 1366.93589
1140.0000 -48.86365 -46.14213 2.72153 2.49668 -45.29748 1248.02356
1145.0000 -48.99781 -46.45333 2.54447 2.31935 -46.68978 1019.53994
1150.0000 -48.31552 -44.88370 3.43182 2.40742 -45.99836 1019.12007
1155.0000 -48.96958 -45.56100 3.40858 2.46680 -45.53213 1147.28027
1160.0000 -49.15983 -45.45679 3.70304 2.46437 -45.55120 1134.91325
1165.0000 -49.23403 -45.50083 3.73320 2.54811 -44.89369 1272.10002
1170.0000 -48.98477 -45.86987 3.11490 2.53285 -45.01355 1185.95656
1175.0000 -47.68370 -44.03258 3.65112 2.53892 -44.96588 1164.14503
1180.0000 -49.65460 -46.14047 3.51413 2.44424 -45.70926 1117.53777
1185.0000 -48.57780 -45.08768 3.49012 2.52700 -45.05949 1229.97277
1190.0000 -49.52043 -45.09372 4.42672 2.49461 -45.31372 1225.08223
1195.0000 -48.02296 -45.26473 2.75823 2.51395 -45.16193 1176.02770
1200.0000 -47.58918 -43.38031 4.20886 2.68833 -43.79280 1332.74429
1205.0000 -47.59091 -44.35678 3.23413 2.72127 -43.53417 1355.22490
1210.0000 -48.18963 -44.56464 3.62498 2.56086 -44.79363 1247.29945
1215.0000 -48.96851 -45.29962 3.66890 2.56924 -44.72784 1231.36772
1220.0000 -49.26528 -45.95430 3.31099 2.50341 -45.24469 1116.35369
1225.0000 -48.13144 -43.91823 4.21321 2.64013 -44.17122 1303.50428
1230.0000 -48.25580 -44.69872 3.55708 2.56233 -44.78202 1249.36117
1235.0000 -48.63107 -45.60647 3.02460 2.52230 -45.09637 1227.11164
1240.0000 -49.73243 -46.48729 3.24514 2.45467 -45.62738 1164.71809
1245.0000 -48.67390 -44.61381 4.06010 2.48649 -45.37751 1164.21626
1250.0000 -49.26791 -45.16985 4.09806 2.55879 -44.80984 1198.66220
FREEZING PROCESS: loop number 6 T-loop= 1126.0000000000000
main_MD> interactions number 6 at Temperature= 1126.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41538 0.23137 5.97121
force_rgl> df(natom) -0.54974 3.26855 -0.45557
1255.0000 -47.80524 -44.35025 3.45499 2.56882 -44.73109 1252.72578
1260.0000 -48.28877 -45.74217 2.54660 2.46930 -45.51246 1153.67511
1265.0000 -48.95588 -45.61632 3.33956 2.45641 -45.61368 1100.13544
1270.0000 -48.89708 -46.83722 2.05986 2.36151 -46.35877 1163.39593
1275.0000 -49.07589 -46.40384 2.67205 2.33654 -46.55486 969.41173
1280.0000 -48.09527 -45.31098 2.78429 2.47269 -45.48589 1170.45038
1285.0000 -48.76564 -44.29894 4.46669 2.61466 -44.37118 1305.14327
1290.0000 -48.59321 -45.56546 3.02776 2.61475 -44.37050 1290.58353
1295.0000 -49.14472 -45.69329 3.45142 2.43441 -45.78645 1076.02269
1300.0000 -48.24392 -45.27073 2.97319 2.41334 -45.95186 1066.72379
1305.0000 -47.12002 -43.91595 3.20407 2.53199 -45.02030 1221.83470
1310.0000 -47.38196 -44.04458 3.33738 2.66378 -43.98554 1403.57294
1315.0000 -48.82395 -45.47818 3.34577 2.62503 -44.28977 1382.25336
1320.0000 -48.94868 -45.26477 3.68391 2.49252 -45.33019 1176.21879
1325.0000 -49.62271 -45.16087 4.46183 2.51782 -45.13153 1195.60472
1330.0000 -48.60276 -46.02385 2.57890 2.50110 -45.26284 1150.40625
1335.0000 -48.67862 -45.78942 2.88919 2.43921 -45.74875 1103.86942
1340.0000 -49.82046 -48.04697 1.77349 2.25811 -47.17062 997.27015
1345.0000 -49.45095 -45.45795 3.99300 2.32592 -46.63820 1023.83748
1350.0000 -49.57820 -46.44208 3.13612 2.44543 -45.69993 1184.51155
1355.0000 -49.71426 -46.57962 3.13464 2.33468 -46.56940 1067.75239
1360.0000 -49.84261 -47.11772 2.72488 2.36440 -46.33612 1068.97586
1365.0000 -49.53285 -45.64883 3.88402 2.44256 -45.72242 1135.14664
1370.0000 -48.86218 -46.05198 2.81019 2.45314 -45.63934 1111.68727
1375.0000 -48.34329 -45.53655 2.80674 2.44725 -45.68558 1093.36300
1380.0000 -49.07225 -44.72055 4.35171 2.53400 -45.00449 1161.44511
1385.0000 -48.20295 -44.90574 3.29721 2.51706 -45.13749 1220.77543
1390.0000 -49.14506 -45.96025 3.18481 2.50797 -45.20889 1125.34687
1395.0000 -48.53224 -44.74195 3.79030 2.42741 -45.84138 1073.91239
1400.0000 -49.15170 -46.02473 3.12698 2.47359 -45.47876 1192.85690
1405.0000 -49.00754 -45.10867 3.89887 2.46738 -45.52752 1135.64237
1410.0000 -49.08492 -44.96040 4.12453 2.64326 -44.14666 1407.69055
1415.0000 -47.65824 -45.55656 2.10168 2.52600 -45.06731 1212.94245
1420.0000 -49.83987 -46.86232 2.97756 2.34716 -46.47147 1089.66245
1425.0000 -49.85769 -46.35407 3.50362 2.29103 -46.91214 989.67100
1430.0000 -49.06410 -45.08223 3.98187 2.39360 -46.10685 1076.06981
1435.0000 -48.80432 -45.67232 3.13200 2.45899 -45.59343 1159.34432
1440.0000 -48.22758 -44.69854 3.52903 2.52730 -45.05706 1148.31479
1445.0000 -48.76598 -45.18222 3.58376 2.60680 -44.43289 1271.47968
1450.0000 -49.09399 -45.61982 3.47417 2.53023 -45.03406 1208.91026
1455.0000 -49.16857 -45.72584 3.44274 2.49879 -45.28093 1197.67141
1460.0000 -47.17301 -44.59115 2.58186 2.51344 -45.16588 1169.35520
1465.0000 -49.86551 -47.01230 2.85321 2.48028 -45.42626 1177.49587
1470.0000 -49.35593 -46.85965 2.49628 2.27437 -47.04293 900.07353
1475.0000 -48.41571 -45.21308 3.20262 2.37477 -46.25470 1014.61749
1480.0000 -48.15875 -44.40829 3.75045 2.55154 -44.86681 1244.37450
1485.0000 -48.97608 -44.82410 4.15198 2.60447 -44.45118 1292.26425
1490.0000 -49.34012 -45.60307 3.73705 2.53910 -44.96443 1200.61031
1495.0000 -49.62009 -46.07767 3.54242 2.46676 -45.53245 1133.23576
1500.0000 -48.84505 -46.09003 2.75502 2.35942 -46.37519 1000.27267
FREEZING PROCESS: loop number 7 T-loop= 1101.0000000000000
main_MD> interactions number 7 at Temperature= 1101.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.82212 3.18532 0.52377
force_rgl> df(natom) 2.23341 -1.85545 0.77721
1505.0000 -49.16819 -46.25805 2.91014 2.40314 -46.03193 1099.11326
1510.0000 -50.30998 -47.98032 2.32967 2.35599 -46.40209 1058.58658
1515.0000 -49.09552 -46.56516 2.53035 2.27441 -47.04262 955.02882
1520.0000 -49.25128 -46.66146 2.58982 2.35691 -46.39494 1044.64537
1525.0000 -49.19865 -45.68519 3.51346 2.36936 -46.29717 988.67575
1530.0000 -47.86689 -44.22327 3.64362 2.51030 -45.19059 1258.19679
1535.0000 -49.65326 -46.52660 3.12666 2.52484 -45.07638 1199.52688
1540.0000 -50.13231 -47.07523 3.05708 2.29057 -46.91579 979.23791
1545.0000 -49.40656 -46.63921 2.76735 2.22277 -47.44811 884.87070
1550.0000 -49.93611 -46.72752 3.20859 2.29353 -46.89249 1010.71659
1555.0000 -49.94221 -46.55608 3.38613 2.26092 -47.14858 1014.88242
1560.0000 -49.55619 -46.71782 2.83837 2.38938 -46.13996 1033.93194
1565.0000 -49.44495 -46.77011 2.67484 2.28160 -46.98620 908.81935
1570.0000 -49.21748 -46.07546 3.14202 2.36640 -46.32036 1015.40465
1575.0000 -49.14888 -46.02863 3.12026 2.41196 -45.96264 1040.17067
1580.0000 -48.54643 -44.85502 3.69141 2.39707 -46.07961 1061.51034
1585.0000 -49.17172 -46.04028 3.13144 2.42919 -45.82739 1080.97135
1590.0000 -49.96974 -46.79453 3.17521 2.45366 -45.63528 1138.69055
1595.0000 -49.11778 -46.35600 2.76178 2.28818 -46.93450 949.04971
1600.0000 -50.40125 -46.72393 3.67732 2.34382 -46.49764 995.97904
1605.0000 -48.72321 -46.33671 2.38651 2.40914 -45.98481 1088.25106
1610.0000 -48.23352 -44.22102 4.01249 2.50936 -45.19794 1111.39320
1615.0000 -48.03651 -45.25225 2.78426 2.49689 -45.29586 1171.04737
1620.0000 -49.30392 -45.56125 3.74268 2.54030 -44.95503 1332.74357
1625.0000 -49.65698 -46.73732 2.91966 2.42055 -45.89520 1065.97729
1630.0000 -47.92214 -46.04297 1.87916 2.44317 -45.71761 1128.32997
1635.0000 -48.09836 -43.87692 4.22144 2.50825 -45.20663 1167.53617
1640.0000 -49.55824 -46.52610 3.03214 2.49604 -45.30256 1199.09748
1645.0000 -49.52760 -46.05645 3.47115 2.36784 -46.30910 1020.48537
1650.0000 -49.50949 -47.12267 2.38682 2.34294 -46.50459 1051.42497
1655.0000 -49.08221 -44.92687 4.15535 2.39501 -46.09572 1055.31252
1660.0000 -49.02023 -46.46549 2.55475 2.45465 -45.62748 1152.54279
1665.0000 -49.78410 -45.96351 3.82060 2.41741 -45.91993 1085.89332
1670.0000 -49.90843 -46.20628 3.70215 2.47311 -45.48257 1075.39005
1675.0000 -48.61721 -46.18719 2.43002 2.36770 -46.31022 1040.71051
1680.0000 -48.61590 -44.57821 4.03769 2.46640 -45.53528 1126.24803
1685.0000 -48.73583 -44.62315 4.11269 2.62436 -44.29501 1339.61605
1690.0000 -48.43799 -44.92899 3.50900 2.56634 -44.75061 1258.64148
1695.0000 -48.90392 -45.84937 3.05456 2.46899 -45.51491 1220.58160
1700.0000 -48.45572 -44.39789 4.05783 2.50281 -45.24936 1141.48629
1705.0000 -47.58031 -43.29643 4.28388 2.63583 -44.20501 1356.99460
1710.0000 -48.31046 -44.59582 3.71464 2.69337 -43.75319 1400.18623
1715.0000 -49.13410 -46.02819 3.10591 2.46283 -45.56329 1143.61872
1720.0000 -49.47119 -47.16133 2.30986 2.38402 -46.18206 1059.34716
1725.0000 -49.33014 -46.46666 2.86348 2.30550 -46.79852 992.47308
1730.0000 -49.60774 -46.85722 2.75052 2.29314 -46.89560 971.54922
1735.0000 -48.78252 -44.98724 3.79528 2.41117 -45.96891 1173.74102
1740.0000 -49.18270 -46.15156 3.03113 2.50606 -45.22390 1222.54819
1745.0000 -49.29393 -44.90751 4.38641 2.45747 -45.60535 1074.20575
1750.0000 -49.23564 -47.11134 2.12430 2.37843 -46.22597 1027.64490
FREEZING PROCESS: loop number 8 T-loop= 1076.0000000000000
main_MD> interactions number 8 at Temperature= 1076.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85933 1.40443 1.35216
force_rgl> df(natom) -0.28021 -0.78443 1.26998
1755.0000 -49.42492 -46.45005 2.97487 2.33607 -46.55856 986.80443
1760.0000 -48.31701 -45.53157 2.78545 2.39368 -46.10622 1076.72930
1765.0000 -49.87950 -46.88400 2.99550 2.44588 -45.69639 1138.52498
1770.0000 -49.89330 -46.99090 2.90240 2.35151 -46.43731 1026.55588
1775.0000 -49.26536 -46.91803 2.34733 2.35668 -46.39669 1126.26305
1780.0000 -49.41302 -46.85904 2.55398 2.31374 -46.73387 1052.62379
1785.0000 -49.40614 -44.93246 4.47368 2.47095 -45.49953 1231.01484
1790.0000 -49.40816 -45.95851 3.44965 2.53841 -44.96985 1259.97439
1795.0000 -49.39436 -46.04621 3.34816 2.42957 -45.82439 1130.87532
1800.0000 -49.64717 -45.43130 4.21586 2.42286 -45.87713 1082.31684
1805.0000 -49.47581 -46.94565 2.53016 2.42290 -45.87680 1149.95514
1810.0000 -49.94477 -46.35580 3.58897 2.29408 -46.88822 982.46204
1815.0000 -49.30812 -45.27705 4.03107 2.37602 -46.24490 1069.79019
1820.0000 -48.66592 -46.35252 2.31340 2.37041 -46.28893 1084.62558
1825.0000 -49.02985 -45.98928 3.04057 2.46838 -45.51967 1181.58168
1830.0000 -49.65434 -46.66367 2.99067 2.38459 -46.17756 1042.78465
1835.0000 -50.68879 -47.79031 2.89849 2.24010 -47.31204 882.73507
1840.0000 -51.16624 -48.21954 2.94670 2.13503 -48.13694 826.73543
1845.0000 -49.53080 -46.70237 2.82842 2.25054 -47.23007 1020.40608
1850.0000 -50.34825 -46.99025 3.35800 2.27957 -47.00216 997.66971
1855.0000 -49.19959 -46.02485 3.17473 2.35537 -46.40697 1048.75950
1860.0000 -48.70181 -46.35450 2.34731 2.35560 -46.40518 1028.20265
1865.0000 -49.29608 -46.28663 3.00945 2.40048 -46.05282 1090.52991
1870.0000 -50.43702 -47.06174 3.37528 2.33678 -46.55294 1048.14027
1875.0000 -48.31579 -45.84282 2.47297 2.31837 -46.69747 1003.29754
1880.0000 -48.51295 -45.93155 2.58140 2.39975 -46.05852 1037.06774
1885.0000 -48.43049 -45.36853 3.06195 2.43173 -45.80742 1104.55726
1890.0000 -48.96125 -44.92656 4.03469 2.46238 -45.56682 1106.04988
1895.0000 -48.79876 -46.39776 2.40100 2.41201 -45.96227 1085.42597
1900.0000 -49.43551 -46.23203 3.20348 2.36887 -46.30103 1056.94471
1905.0000 -49.73135 -47.09276 2.63859 2.28210 -46.98229 995.06712
1910.0000 -49.71888 -46.45121 3.26767 2.37119 -46.28278 992.43948
1915.0000 -47.88353 -44.97130 2.91222 2.41928 -45.90522 1108.17622
1920.0000 -48.30199 -45.24964 3.05235 2.49600 -45.30288 1138.95370
1925.0000 -48.56716 -45.90491 2.66226 2.43741 -45.76285 1036.09015
1930.0000 -48.60986 -45.15431 3.45555 2.45617 -45.61560 1109.69457
1935.0000 -48.95354 -45.78121 3.17232 2.34247 -46.50825 997.12353
1940.0000 -49.65223 -46.64313 3.00910 2.44026 -45.74052 1088.93512
1945.0000 -50.45355 -47.92595 2.52760 2.28770 -46.93826 983.88449
1950.0000 -49.70026 -47.27151 2.42875 2.19201 -47.68956 880.71230
1955.0000 -50.53588 -47.50551 3.03037 2.23422 -47.35821 902.83925
1960.0000 -49.99488 -47.44906 2.54582 2.32805 -46.62151 1036.25240
1965.0000 -50.25799 -47.12518 3.13281 2.34483 -46.48972 1051.11970
1970.0000 -49.39118 -46.65514 2.73604 2.31013 -46.76216 1020.81950
1975.0000 -49.24477 -45.56162 3.68315 2.40859 -45.98913 1119.23689
1980.0000 -49.33107 -46.57386 2.75721 2.38569 -46.16892 1079.91098
1985.0000 -50.07682 -47.04532 3.03150 2.29742 -46.86201 1019.49178
1990.0000 -49.17535 -46.25633 2.91902 2.34350 -46.50016 1001.73089
1995.0000 -48.99159 -45.77997 3.21162 2.40241 -46.03769 1046.83658
2000.0000 -49.48360 -47.33897 2.14463 2.30266 -46.82087 1015.01830
FREEZING PROCESS: loop number 9 T-loop= 1051.0000000000000
main_MD> interactions number 9 at Temperature= 1051.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.90964 0.47600 1.15886
force_rgl> df(natom) 0.34435 -1.08147 -1.35558
2005.0000 -49.85040 -47.26032 2.59008 2.27797 -47.01469 974.81803
2010.0000 -49.43461 -47.11980 2.31482 2.21817 -47.48424 898.56079
2015.0000 -50.78119 -48.41612 2.36507 2.21138 -47.53755 924.12492
2020.0000 -49.83810 -46.76334 3.07475 2.23703 -47.33610 906.09958
2025.0000 -49.23756 -45.18298 4.05457 2.38515 -46.17316 1096.06409
2030.0000 -49.12972 -46.25422 2.87550 2.34519 -46.48694 1064.88017
2035.0000 -49.83213 -46.11409 3.71804 2.45120 -45.65456 1161.70799
2040.0000 -49.14363 -45.50509 3.63854 2.39531 -46.09344 1049.27836
2045.0000 -48.98021 -46.15452 2.82569 2.40229 -46.03857 1011.99144
2050.0000 -50.06309 -48.10126 1.96183 2.25969 -47.15819 919.92526
2055.0000 -50.54273 -47.75454 2.78819 2.15045 -48.01594 842.29936
2060.0000 -49.60696 -46.02829 3.57868 2.26251 -47.13611 1008.09605
2065.0000 -49.27440 -46.24615 3.02825 2.38433 -46.17958 1053.30236
2070.0000 -48.77428 -44.66466 4.10962 2.44269 -45.72144 1123.12505
2075.0000 -48.78358 -45.31895 3.46464 2.52057 -45.10992 1174.40360
2080.0000 -49.70848 -45.63209 4.07639 2.40570 -46.01179 1135.41359
2085.0000 -49.02476 -44.99214 4.03263 2.46729 -45.52823 1207.48601
2090.0000 -50.12279 -46.85636 3.26642 2.40559 -46.01271 1080.70573
2095.0000 -48.48709 -45.68543 2.80166 2.34655 -46.47621 1048.72067
2100.0000 -49.01848 -45.81223 3.20624 2.45780 -45.60275 1095.37318
2105.0000 -48.89620 -46.73361 2.16258 2.35630 -46.39966 1028.14702
2110.0000 -48.57092 -45.90924 2.66169 2.34828 -46.46263 1026.46151
2115.0000 -49.80171 -46.24082 3.56089 2.42212 -45.88289 1138.14229
2120.0000 -48.72804 -45.98578 2.74226 2.32909 -46.61336 959.05034
2125.0000 -49.44618 -47.16086 2.28533 2.32118 -46.67546 1019.74113
2130.0000 -49.51624 -46.44186 3.07438 2.32653 -46.63346 1040.93303
2135.0000 -49.48584 -46.59811 2.88773 2.28753 -46.93961 983.56288
2140.0000 -48.90111 -45.79753 3.10358 2.31199 -46.74760 1045.34909
2145.0000 -50.18626 -47.72259 2.46368 2.31799 -46.70051 1004.44813
2150.0000 -49.60264 -45.57091 4.03173 2.28707 -46.94325 1012.02385
2155.0000 -49.20372 -45.95468 3.24904 2.41979 -45.90121 1165.09818
2160.0000 -49.04177 -46.53441 2.50736 2.37045 -46.28859 1100.31871
2165.0000 -50.03355 -46.93234 3.10121 2.37565 -46.24780 1049.16696
2170.0000 -50.02527 -46.38689 3.63837 2.32144 -46.67335 1064.12364
2175.0000 -49.47449 -46.62559 2.84890 2.28264 -46.97801 1013.04954
2180.0000 -49.57060 -46.82641 2.74419 2.28688 -46.94473 1052.39436
2185.0000 -49.45160 -46.95743 2.49417 2.26151 -47.14393 974.63949
2190.0000 -48.48386 -44.92776 3.55610 2.44541 -45.70002 1098.37447
2195.0000 -48.92862 -46.23569 2.69293 2.51097 -45.18532 1189.18148
2200.0000 -47.11473 -44.61789 2.49685 2.46961 -45.51003 1131.13334
2205.0000 -47.91047 -45.02436 2.88611 2.50266 -45.25058 1147.98951
2210.0000 -48.66105 -45.85940 2.80165 2.46729 -45.52830 1212.27587
2215.0000 -48.47602 -45.74798 2.72804 2.44943 -45.66845 1139.33104
2220.0000 -49.29796 -44.94004 4.35791 2.49584 -45.30414 1209.69272
2225.0000 -47.61761 -44.75924 2.85838 2.51896 -45.12254 1192.07365
2230.0000 -47.89250 -43.12552 4.76698 2.71663 -43.57058 1422.78956
2235.0000 -48.74181 -44.98086 3.76095 2.65579 -44.04830 1305.28217
2240.0000 -50.15344 -47.30333 2.85011 2.30734 -46.78411 963.92156
2245.0000 -49.86265 -46.64521 3.21744 2.30109 -46.83320 920.28742
2250.0000 -49.13513 -45.58534 3.54979 2.39667 -46.08274 1107.62798
FREEZING PROCESS: loop number 10 T-loop= 1026.0000000000000
main_MD> interactions number 10 at Temperature= 1026.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98603 0.94538 -8.14351
force_rgl> df(natom) -0.13214 -2.43845 0.64241
2255.0000 -50.21213 -46.51217 3.69996 2.44548 -45.69946 1152.58574
2260.0000 -48.66076 -44.96410 3.69666 2.40746 -45.99800 1112.93507
2265.0000 -47.79524 -45.17764 2.61761 2.50239 -45.25267 1164.89566
2270.0000 -48.56509 -46.50646 2.05862 2.44082 -45.73612 1152.33639
2275.0000 -49.35010 -46.71219 2.63791 2.38881 -46.14442 1037.72260
2280.0000 -48.92678 -46.19508 2.73170 2.33100 -46.59832 949.19556
2285.0000 -49.86806 -47.37802 2.49004 2.31373 -46.73389 941.56075
2290.0000 -50.86702 -48.34814 2.51888 2.15084 -48.01281 845.14268
2295.0000 -50.14000 -46.56572 3.57428 2.23401 -47.35982 940.45187
2300.0000 -49.73465 -46.70374 3.03091 2.31613 -46.71506 955.84866
2305.0000 -49.76010 -46.70309 3.05702 2.30471 -46.80474 1023.33254
2310.0000 -49.86549 -46.23336 3.63214 2.33293 -46.58314 1006.53435
2315.0000 -50.78504 -47.44063 3.34441 2.34040 -46.52450 1006.54394
2320.0000 -49.56751 -47.63285 1.93466 2.25206 -47.21812 898.56279
2325.0000 -50.59008 -48.09999 2.49009 2.18060 -47.77916 909.56103
2330.0000 -50.67860 -48.16648 2.51212 2.09912 -48.41890 818.96213
2335.0000 -50.22693 -47.58413 2.64280 2.15723 -47.96267 849.09445
2340.0000 -50.04265 -46.54423 3.49842 2.30444 -46.80689 985.56197
2345.0000 -49.97276 -47.42681 2.54595 2.23895 -47.32102 912.70100
2350.0000 -50.31394 -46.92571 3.38823 2.28065 -46.99366 1001.45137
2355.0000 -49.46044 -47.43341 2.02703 2.18190 -47.76901 916.09154
2360.0000 -48.91719 -46.95549 1.96170 2.22678 -47.41660 941.32310
2365.0000 -48.98558 -45.67745 3.30813 2.43039 -45.81799 1166.87942
2370.0000 -50.10566 -46.89883 3.20682 2.36308 -46.34647 1046.71261
2375.0000 -49.67563 -46.71435 2.96128 2.35135 -46.43854 1053.06827
2380.0000 -49.69433 -47.21148 2.48285 2.29817 -46.85609 998.03699
2385.0000 -50.19332 -46.29267 3.90065 2.28575 -46.95361 1010.51108
2390.0000 -48.89779 -46.84566 2.05213 2.31740 -46.70508 1050.00156
2395.0000 -50.05106 -47.39202 2.65904 2.33662 -46.55424 1029.42809
2400.0000 -49.22907 -46.51449 2.71458 2.30495 -46.80288 1021.15047
2405.0000 -49.21009 -46.21244 2.99764 2.39350 -46.10762 1043.91073
2410.0000 -49.18870 -46.57506 2.61364 2.39177 -46.12116 1093.45626
2415.0000 -49.51239 -46.46121 3.05117 2.30444 -46.80684 976.82235
2420.0000 -48.71283 -46.43329 2.27953 2.39084 -46.12847 1083.24162
2425.0000 -48.74266 -45.41236 3.33031 2.48630 -45.37901 1131.62170
2430.0000 -48.53063 -45.43028 3.10035 2.57448 -44.68666 1218.80639
2435.0000 -48.58959 -45.09943 3.49016 2.47628 -45.45764 1190.09229
2440.0000 -48.31091 -45.58750 2.72341 2.41922 -45.90570 1074.52876
2445.0000 -48.23518 -45.65898 2.57620 2.46562 -45.54139 1161.53549
2450.0000 -49.94510 -46.89900 3.04610 2.35525 -46.40793 1036.37618
2455.0000 -49.04189 -46.60398 2.43791 2.27649 -47.02627 928.05829
2460.0000 -49.69268 -46.94650 2.74618 2.29880 -46.85114 973.69846
2465.0000 -50.32767 -47.33851 2.98916 2.25841 -47.16824 860.14358
2470.0000 -48.85985 -46.30230 2.55755 2.36112 -46.36183 1016.15023
2475.0000 -48.84476 -46.11656 2.72820 2.36439 -46.33616 1023.63164
2480.0000 -49.24972 -46.81489 2.43483 2.39594 -46.08847 1069.16547
2485.0000 -49.53428 -46.61858 2.91569 2.37731 -46.23476 1094.23301
2490.0000 -50.29531 -47.20123 3.09409 2.23260 -47.37094 884.96083
2495.0000 -49.07251 -46.52966 2.54285 2.30569 -46.79706 962.17948
2500.0000 -50.00286 -47.14190 2.86097 2.22371 -47.44068 851.66767
FREEZING PROCESS: loop number 11 T-loop= 1001.0000000000000
main_MD> interactions number 11 at Temperature= 1001.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88389 0.67155 1.44910
force_rgl> df(natom) 2.30824 -0.76491 -1.05347
2505.0000 -49.32962 -46.69932 2.63030 2.31806 -46.69994 961.34008
2510.0000 -50.08863 -47.27951 2.80912 2.27513 -47.03700 929.27495
2515.0000 -50.22290 -48.00390 2.21900 2.19393 -47.67452 848.41234
2520.0000 -49.64506 -46.93692 2.70814 2.23340 -47.36459 921.97574
2525.0000 -49.84663 -47.50484 2.34179 2.25902 -47.16350 984.75414
2530.0000 -50.02262 -47.06510 2.95752 2.24177 -47.29892 924.25929
2535.0000 -49.32398 -46.41117 2.91281 2.30635 -46.79189 989.99433
2540.0000 -49.77879 -46.50946 3.26933 2.36879 -46.30166 1036.44219
2545.0000 -49.01299 -46.45391 2.55908 2.39765 -46.07507 1052.58868
2550.0000 -49.83579 -47.15245 2.68334 2.25482 -47.19649 888.29487
2555.0000 -49.11885 -46.50471 2.61414 2.32167 -46.67155 1019.48027
2560.0000 -49.84430 -47.97859 1.86570 2.27741 -47.01910 961.42827
2565.0000 -50.42823 -47.16445 3.26379 2.25205 -47.21818 930.52521
2570.0000 -50.63227 -48.08021 2.55207 2.22614 -47.42161 944.72677
2575.0000 -49.57175 -46.63344 2.93831 2.28867 -46.93068 1011.81061
2580.0000 -49.75283 -46.85360 2.89924 2.29082 -46.91377 1010.62296
2585.0000 -50.71645 -47.85444 2.86201 2.18272 -47.76253 902.41625
2590.0000 -49.57601 -46.50081 3.07520 2.25747 -47.17562 921.46249
2595.0000 -48.81407 -46.22100 2.59307 2.32018 -46.68328 943.70453
2600.0000 -49.52704 -45.85556 3.67148 2.39712 -46.07917 1065.32617
2605.0000 -50.10959 -47.06490 3.04468 2.34561 -46.48363 1056.69052
2610.0000 -49.68389 -46.92228 2.76161 2.30140 -46.83074 994.66192
2615.0000 -50.81872 -47.62539 3.19333 2.19774 -47.64459 845.50348
2620.0000 -50.22322 -47.57963 2.64359 2.19715 -47.64927 850.52895
2625.0000 -50.59579 -47.40204 3.19374 2.21940 -47.47455 881.84542
2630.0000 -49.38093 -46.71809 2.66284 2.26523 -47.11475 987.84900
2635.0000 -48.98629 -45.11116 3.87513 2.37489 -46.25373 1044.62204
2640.0000 -49.19458 -46.24886 2.94572 2.39114 -46.12613 1075.08889
2645.0000 -50.69629 -48.14803 2.54826 2.20088 -47.61997 871.26208
2650.0000 -50.37621 -47.69275 2.68346 2.08624 -48.52005 773.80725
2655.0000 -49.33888 -46.72619 2.61268 2.28154 -46.98667 963.22425
2660.0000 -48.30918 -45.69944 2.60975 2.31000 -46.76319 1041.35127
2665.0000 -49.95669 -46.70313 3.25356 2.32150 -46.67289 1000.83549
2670.0000 -50.59252 -48.28453 2.30800 2.20633 -47.57719 889.95072
2675.0000 -48.48267 -46.28409 2.19858 2.19305 -47.68143 877.18692
2680.0000 -48.97552 -45.59610 3.37942 2.41236 -45.95954 1079.21644
2685.0000 -49.13748 -46.55478 2.58269 2.36003 -46.37043 1059.16918
2690.0000 -48.90218 -46.11122 2.79097 2.32578 -46.63932 986.84337
2695.0000 -49.87105 -47.61504 2.25601 2.24324 -47.28737 932.77551
2700.0000 -49.41424 -46.88455 2.52970 2.31406 -46.73130 978.85037
2705.0000 -49.69285 -47.48919 2.20366 2.26106 -47.14747 982.97014
2710.0000 -49.47651 -46.59022 2.88629 2.30679 -46.78844 950.81675
2715.0000 -49.43574 -47.10506 2.33068 2.31983 -46.68602 1005.30674
2720.0000 -49.30460 -46.16123 3.14337 2.29178 -46.90625 1022.95644
2725.0000 -48.33223 -46.31522 2.01701 2.38828 -46.14860 1024.44609
2730.0000 -48.54303 -45.42155 3.12149 2.43945 -45.74688 1100.71317
2735.0000 -47.89287 -44.97265 2.92022 2.46123 -45.57583 1063.11077
2740.0000 -48.84787 -45.57357 3.27431 2.48817 -45.36431 1194.04481
2745.0000 -48.39303 -46.21657 2.17645 2.44917 -45.67054 1126.99615
2750.0000 -50.29954 -47.20747 3.09207 2.35311 -46.42476 1057.28497
FREEZING PROCESS: loop number 12 T-loop= 976.00000000000000
main_MD> interactions number 12 at Temperature= 976.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.45046 10.88786 2.51931
force_rgl> df(natom) -0.86988 0.26270 -0.48952
2755.0000 -49.21768 -46.20752 3.01017 2.35277 -46.42739 1067.11541
2760.0000 -50.01459 -46.06671 3.94788 2.38542 -46.17105 1088.57171
2765.0000 -48.81920 -45.48413 3.33507 2.42461 -45.86335 1137.89931
2770.0000 -49.29840 -46.96422 2.33418 2.42490 -45.86106 1062.04734
2775.0000 -50.18500 -46.98302 3.20199 2.23528 -47.34985 881.89997
2780.0000 -49.53640 -46.67803 2.85837 2.25214 -47.21748 982.04157
2785.0000 -48.98803 -46.03881 2.94921 2.36279 -46.34876 1020.82271
2790.0000 -49.37516 -46.35573 3.01943 2.43070 -45.81554 1133.68105
2795.0000 -49.51524 -46.23998 3.27526 2.34590 -46.48133 1036.59136
2800.0000 -49.54583 -46.89522 2.65061 2.29924 -46.84767 979.19842
2805.0000 -49.47951 -47.02612 2.45339 2.27446 -47.04222 915.69759
2810.0000 -49.75280 -46.79489 2.95791 2.28959 -46.92349 956.44921
2815.0000 -49.87111 -46.85561 3.01550 2.29259 -46.89988 1013.40806
2820.0000 -49.70849 -46.55603 3.15246 2.28770 -46.93829 1001.93032
2825.0000 -49.48645 -46.77962 2.70683 2.32295 -46.66156 1014.33824
2830.0000 -49.94028 -45.97413 3.96615 2.38250 -46.19399 1094.84051
2835.0000 -49.65960 -47.05486 2.60474 2.37197 -46.27662 1094.26879
2840.0000 -49.74599 -47.06891 2.67707 2.30361 -46.81340 957.34192
2845.0000 -50.39743 -47.57010 2.82733 2.28290 -46.97601 1050.05851
2850.0000 -49.71934 -47.27755 2.44179 2.23553 -47.34791 956.55592
2855.0000 -50.25038 -47.91578 2.33460 2.18006 -47.78339 833.10752
2860.0000 -49.00458 -46.87595 2.12863 2.22477 -47.43239 869.99876
2865.0000 -49.01502 -45.86536 3.14966 2.31955 -46.68819 913.52062
2870.0000 -49.43914 -46.61663 2.82252 2.49344 -45.32298 1184.35657
2875.0000 -48.52014 -45.89315 2.62699 2.41802 -45.91513 1042.30406
2880.0000 -49.64238 -46.75033 2.89205 2.38069 -46.20818 1110.74350
2885.0000 -50.45183 -48.21746 2.23437 2.24374 -47.28346 917.38923
2890.0000 -48.98264 -46.49019 2.49245 2.22514 -47.42952 938.18058
2895.0000 -50.22053 -47.45299 2.76755 2.28384 -46.96863 974.51789
2900.0000 -49.91108 -47.10922 2.80186 2.20023 -47.62510 868.75375
2905.0000 -49.40150 -46.85264 2.54887 2.26095 -47.14833 1000.63350
2910.0000 -49.97754 -47.02649 2.95104 2.30202 -46.82590 982.26201
2915.0000 -49.46507 -46.54465 2.92043 2.30764 -46.78173 1038.36986
2920.0000 -49.78017 -47.05371 2.72646 2.34432 -46.49379 1047.44859
2925.0000 -48.70743 -46.11113 2.59630 2.37305 -46.26815 1009.47879
2930.0000 -49.02249 -46.68726 2.33523 2.38626 -46.16443 1053.53902
2935.0000 -48.49290 -45.38139 3.11151 2.38174 -46.19996 1061.34661
2940.0000 -49.81790 -46.88075 2.93715 2.39363 -46.10656 1090.03960
2945.0000 -51.31612 -48.67295 2.64317 2.22126 -47.45997 933.53446
2950.0000 -49.95964 -47.89822 2.06142 2.16262 -47.92032 948.69897
2955.0000 -50.26110 -47.13256 3.12854 2.21776 -47.48744 934.61706
2960.0000 -49.09581 -46.72275 2.37305 2.23672 -47.33856 943.58525
2965.0000 -49.35004 -47.66457 1.68547 2.23539 -47.34901 956.39845
2970.0000 -50.09033 -47.15889 2.93144 2.24178 -47.29885 995.29438
2975.0000 -49.94454 -47.61163 2.33292 2.26324 -47.13036 950.39816
2980.0000 -50.93083 -47.83718 3.09364 2.15090 -48.01239 864.48542
2985.0000 -50.22313 -47.72642 2.49671 2.15381 -47.98954 879.41423
2990.0000 -49.42710 -46.03555 3.39155 2.26941 -47.08188 970.99824
2995.0000 -49.40371 -46.44846 2.95525 2.29719 -46.86376 957.93209
3000.0000 -49.42880 -46.52791 2.90089 2.35256 -46.42908 1048.97166
FREEZING PROCESS: loop number 13 T-loop= 951.00000000000000
main_MD> interactions number 13 at Temperature= 951.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15590 -4.64161 -0.80324
force_rgl> df(natom) 3.11177 0.27285 2.63681
3005.0000 -49.68598 -47.72532 1.96066 2.22747 -47.41121 879.85292
3010.0000 -50.21417 -46.69530 3.51887 2.28307 -46.97464 960.21673
3015.0000 -50.35135 -47.45047 2.90088 2.24876 -47.24401 909.08495
3020.0000 -50.41536 -48.17428 2.24107 2.24974 -47.23634 921.48624
3025.0000 -49.05719 -46.25028 2.80691 2.22945 -47.39562 848.59022
3030.0000 -50.75220 -47.86019 2.89201 2.29253 -46.90041 977.76717
3035.0000 -51.15442 -48.53852 2.61589 2.14524 -48.05681 909.12869
3040.0000 -50.30966 -48.09246 2.21720 2.10738 -48.35403 830.69295
3045.0000 -49.42929 -47.21665 2.21264 2.19251 -47.68566 879.20785
3050.0000 -49.78217 -45.97742 3.80475 2.33881 -46.53699 943.64307
3055.0000 -50.39056 -47.12595 3.26461 2.32018 -46.68331 1054.62394
3060.0000 -50.17884 -47.64952 2.52932 2.20953 -47.55202 891.90530
3065.0000 -51.33172 -48.92648 2.40524 2.13120 -48.16702 912.70045
3070.0000 -51.77293 -49.76863 2.00430 1.98167 -49.34110 749.45493
3075.0000 -50.84969 -48.69010 2.15960 2.04106 -48.87477 765.36434
3080.0000 -49.86940 -47.85351 2.01588 2.06921 -48.65374 769.50380
3085.0000 -48.99117 -46.59906 2.39211 2.26334 -47.12958 907.76622
3090.0000 -50.21592 -46.77806 3.43785 2.28833 -46.93336 988.90170
3095.0000 -49.32722 -47.30037 2.02684 2.24440 -47.27826 949.02767
3100.0000 -49.94812 -47.49030 2.45782 2.29372 -46.89106 954.78418
3105.0000 -49.01849 -46.08995 2.92854 2.28900 -46.92810 916.10110
3110.0000 -50.84941 -47.95097 2.89845 2.26900 -47.08510 1004.38061
3115.0000 -50.50801 -47.12985 3.37816 2.19343 -47.67843 969.55515
3120.0000 -49.13782 -46.06471 3.07310 2.31845 -46.69685 1014.54349
3125.0000 -49.42823 -47.30439 2.12385 2.30191 -46.82675 967.72974
3130.0000 -49.21664 -46.55847 2.65818 2.30814 -46.77780 961.67113
3135.0000 -49.44275 -46.79328 2.64947 2.36453 -46.33510 1070.03208
3140.0000 -49.20309 -45.96719 3.23589 2.37575 -46.24695 1068.82955
3145.0000 -49.43985 -47.18461 2.25525 2.36386 -46.34034 1001.00864
3150.0000 -49.24732 -45.45140 3.79592 2.33471 -46.56922 974.89265
3155.0000 -49.30271 -46.30961 2.99309 2.42511 -45.85940 1138.46924
3160.0000 -48.77029 -45.92404 2.84625 2.41032 -45.97558 1114.42051
3165.0000 -50.07436 -47.12794 2.94642 2.35661 -46.39722 1028.48099
3170.0000 -50.60689 -47.91994 2.68696 2.17495 -47.82355 903.24517
3175.0000 -49.25464 -47.46425 1.79040 2.22627 -47.42058 925.83878
3180.0000 -50.40094 -47.81727 2.58368 2.17735 -47.80474 847.58108
3185.0000 -50.15666 -48.36167 1.79499 2.24775 -47.25199 904.71104
3190.0000 -50.78453 -48.82209 1.96243 2.08870 -48.50072 791.07765
3195.0000 -50.46173 -48.50337 1.95836 2.07984 -48.57028 757.86778
3200.0000 -49.57400 -46.82265 2.75135 2.13985 -48.09910 851.85802
3205.0000 -50.71635 -47.83266 2.88369 2.19234 -47.68701 910.96768
3210.0000 -49.27618 -45.85456 3.42162 2.26036 -47.15292 982.56297
3215.0000 -49.64016 -46.40875 3.23141 2.34785 -46.46607 1023.91748
3220.0000 -50.83729 -47.76139 3.07590 2.32320 -46.65961 1071.28702
3225.0000 -49.91540 -48.08862 1.82678 2.12652 -48.20378 803.34366
3230.0000 -50.27387 -48.22734 2.04653 2.18530 -47.74227 864.99272
3235.0000 -50.73807 -48.15945 2.57862 2.17658 -47.81072 833.76151
3240.0000 -50.24519 -47.00884 3.23635 2.21353 -47.52061 902.78843
3245.0000 -50.47373 -47.51925 2.95447 2.29400 -46.88884 993.76520
3250.0000 -49.42851 -46.07154 3.35696 2.34768 -46.46736 966.57651
FREEZING PROCESS: loop number 14 T-loop= 926.00000000000000
main_MD> interactions number 14 at Temperature= 926.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.23034 -1.61266 0.69763
force_rgl> df(natom) -1.90562 -4.26650 1.03553
3255.0000 -49.07450 -46.21746 2.85704 2.31464 -46.72677 1015.25807
3260.0000 -47.88502 -45.14020 2.74482 2.42489 -45.86117 1090.31885
3265.0000 -48.44060 -44.31739 4.12321 2.62565 -44.28489 1304.75773
3270.0000 -48.03866 -44.91292 3.12573 2.63627 -44.20156 1286.23857
3275.0000 -48.52553 -44.53527 3.99026 2.57973 -44.64545 1231.98522
3280.0000 -50.63364 -48.06844 2.56520 2.36869 -46.30238 1119.40683
3285.0000 -50.29928 -48.22457 2.07471 2.10089 -48.40504 793.66723
3290.0000 -49.27161 -46.88890 2.38271 2.21355 -47.52045 872.66404
3295.0000 -50.21828 -47.05388 3.16440 2.34705 -46.47229 1015.54596
3300.0000 -50.00852 -47.20757 2.80095 2.21434 -47.51427 945.89137
3305.0000 -49.96231 -47.67581 2.28650 2.19365 -47.67673 904.69966
3310.0000 -50.02284 -47.55802 2.46482 2.22817 -47.40570 854.44610
3315.0000 -50.21014 -47.94973 2.26041 2.22188 -47.45510 936.77458
3320.0000 -49.73176 -47.70947 2.02228 2.19869 -47.63714 904.53923
3325.0000 -50.65810 -48.18204 2.47607 2.13300 -48.15291 789.42844
3330.0000 -50.60989 -48.39821 2.21167 2.07541 -48.60505 758.79363
3335.0000 -50.02711 -47.96431 2.06280 2.11719 -48.27700 803.19496
3340.0000 -50.23859 -46.93370 3.30489 2.21724 -47.49148 868.64642
3345.0000 -50.39780 -48.26281 2.13499 2.22091 -47.46271 888.16593
3350.0000 -50.52364 -47.64591 2.87773 2.20169 -47.61363 894.49176
3355.0000 -49.50671 -46.80521 2.70151 2.25858 -47.16693 963.52459
3360.0000 -49.22750 -46.86368 2.36382 2.32505 -46.64508 1016.93796
3365.0000 -49.42869 -45.66235 3.76635 2.35283 -46.42690 1017.83261
3370.0000 -49.11142 -46.19059 2.92084 2.40975 -45.98006 1127.28210
3375.0000 -49.69581 -46.55896 3.13685 2.32483 -46.64676 904.55063
3380.0000 -49.80452 -46.78895 3.01557 2.34702 -46.47253 1160.39119
3385.0000 -50.64385 -47.28987 3.35398 2.32886 -46.61515 1041.33195
3390.0000 -49.92517 -47.54111 2.38406 2.24644 -47.26221 914.21896
3395.0000 -49.55689 -47.05611 2.50078 2.28476 -46.96138 954.18129
3400.0000 -49.44344 -46.25897 3.18447 2.35746 -46.39058 971.97074
3405.0000 -50.03459 -47.30998 2.72460 2.34747 -46.46900 1008.57955
3410.0000 -48.60936 -46.42243 2.18694 2.30722 -46.78502 936.27230
3415.0000 -49.86390 -47.00759 2.85631 2.40306 -46.03259 1079.71309
3420.0000 -50.50355 -48.50431 1.99925 2.14238 -48.07927 884.18626
3425.0000 -50.01277 -47.80152 2.21125 2.16298 -47.91752 871.31316
3430.0000 -48.93934 -46.51072 2.42861 2.23200 -47.37558 919.29857
3435.0000 -50.19938 -47.73270 2.46668 2.27439 -47.04279 969.01416
3440.0000 -48.75355 -46.72707 2.02648 2.29617 -46.87181 940.32914
3445.0000 -48.95052 -46.52928 2.42124 2.30396 -46.81064 986.97928
3450.0000 -49.80067 -46.78081 3.01985 2.29075 -46.91432 962.30618
3455.0000 -50.44520 -48.19528 2.24992 2.16563 -47.89669 829.05109
3460.0000 -50.93898 -49.16671 1.77226 2.09978 -48.41370 762.02000
3465.0000 -49.90265 -47.96645 1.93621 2.10741 -48.35385 790.64067
3470.0000 -49.58599 -47.41748 2.16850 2.19258 -47.68516 885.17116
3475.0000 -49.77627 -46.47437 3.30191 2.29270 -46.89906 976.31826
3480.0000 -49.42062 -47.43014 1.99048 2.32502 -46.64531 976.77901
3485.0000 -49.77289 -47.01037 2.76252 2.26360 -47.12748 911.30215
3490.0000 -50.57779 -48.16177 2.41602 2.24530 -47.27119 924.81897
3495.0000 -50.18781 -46.97102 3.21679 2.19631 -47.65582 851.63125
3500.0000 -50.05669 -48.04966 2.00703 2.21447 -47.51329 951.18615
FREEZING PROCESS: loop number 15 T-loop= 901.00000000000000
main_MD> interactions number 15 at Temperature= 901.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55378 -1.71371 0.48939
force_rgl> df(natom) -4.99615 1.05445 -7.21215
3505.0000 -50.55536 -48.12084 2.43452 2.16020 -47.93935 825.95226
3510.0000 -50.50185 -48.38562 2.11623 2.12049 -48.25112 832.15174
3515.0000 -50.00411 -47.37406 2.63005 2.15491 -47.98089 847.02148
3520.0000 -49.76678 -47.46342 2.30336 2.23415 -47.35875 850.45784
3525.0000 -50.01456 -47.65977 2.35479 2.20260 -47.60646 881.01095
3530.0000 -49.96317 -48.12341 1.83976 2.15249 -47.99988 889.48204
3535.0000 -50.97279 -48.39200 2.58079 2.13347 -48.14925 873.46290
3540.0000 -50.65521 -47.94700 2.70821 2.13818 -48.11226 866.28224
3545.0000 -50.93008 -48.81831 2.11176 2.13325 -48.15098 836.32159
3550.0000 -51.07739 -48.96592 2.11148 2.02535 -48.99814 725.45734
3555.0000 -50.76953 -48.72164 2.04789 2.04041 -48.87986 706.56937
3560.0000 -51.19007 -48.98202 2.20805 2.05674 -48.75166 823.55104
3565.0000 -50.55106 -48.41782 2.13324 2.05627 -48.75536 757.98038
3570.0000 -50.36863 -48.09470 2.27393 2.09995 -48.41243 774.75070
3575.0000 -49.87400 -47.13050 2.74350 2.26304 -47.13195 957.88864
3580.0000 -51.04512 -48.06320 2.98192 2.21741 -47.49013 964.52786
3585.0000 -50.20943 -47.84322 2.36621 2.17795 -47.79998 846.87866
3590.0000 -50.91252 -48.12984 2.78268 2.14672 -48.04518 857.17772
3595.0000 -50.49915 -48.31407 2.18508 2.16092 -47.93368 849.54594
3600.0000 -50.03691 -47.84004 2.19687 2.13244 -48.15734 804.39140
3605.0000 -49.58161 -47.67493 1.90668 2.15214 -48.00262 844.12266
3610.0000 -49.84950 -47.42922 2.42028 2.15202 -48.00361 816.37722
3615.0000 -51.39542 -47.49938 3.89604 2.24085 -47.30616 947.46260
3620.0000 -50.31296 -47.66944 2.64351 2.22301 -47.44620 1014.31225
3625.0000 -50.01517 -47.87256 2.14261 2.13646 -48.12571 817.24843
3630.0000 -50.58947 -48.57943 2.01004 2.10454 -48.37639 784.39634
3635.0000 -50.98141 -49.28416 1.69725 1.98927 -49.28136 707.69167
3640.0000 -50.22490 -47.92031 2.30459 2.11915 -48.26163 845.30191
3645.0000 -50.90049 -48.37726 2.52323 2.10636 -48.36207 823.52346
3650.0000 -50.58781 -48.34549 2.24232 2.07733 -48.58997 802.31990
3655.0000 -50.40268 -48.28416 2.11852 2.10572 -48.36709 824.96069
3660.0000 -51.84289 -49.83960 2.00329 2.06057 -48.72163 758.83779
3665.0000 -51.12461 -48.41833 2.70628 2.02579 -48.99470 793.74694
3670.0000 -51.21994 -48.19608 3.02387 2.12934 -48.18163 922.36699
3675.0000 -50.31776 -47.54019 2.77757 2.17896 -47.79206 955.56826
3680.0000 -50.21709 -47.18379 3.03330 2.18240 -47.76506 804.70995
3685.0000 -50.60319 -48.20886 2.39432 2.21607 -47.50069 889.98572
3690.0000 -49.96480 -47.62578 2.33902 2.13397 -48.14529 840.65043
3695.0000 -49.48982 -46.88655 2.60327 2.27726 -47.02026 936.27631
3700.0000 -49.70974 -47.26110 2.44864 2.30481 -46.80392 954.07450
3705.0000 -50.35105 -47.67900 2.67205 2.21046 -47.54474 970.12151
3710.0000 -49.54835 -47.25757 2.29078 2.20647 -47.57606 909.80467
3715.0000 -49.73953 -48.00283 1.73670 2.25338 -47.20779 901.31490
3720.0000 -48.42518 -45.79843 2.62675 2.31867 -46.69512 974.70090
3725.0000 -48.14561 -45.67372 2.47189 2.39839 -46.06923 1020.89796
3730.0000 -49.72347 -47.98061 1.74286 2.33193 -46.59106 999.00412
3735.0000 -49.82576 -47.66758 2.15818 2.19132 -47.69500 822.27686
3740.0000 -47.84001 -46.16347 1.67654 2.33350 -46.57867 979.11334
3745.0000 -49.81695 -46.92205 2.89490 2.26716 -47.09960 930.08365
3750.0000 -50.03905 -46.46850 3.57055 2.35678 -46.39594 1072.70606
FREEZING PROCESS: loop number 16 T-loop= 876.00000000000000
main_MD> interactions number 16 at Temperature= 876.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21066 1.40112 -0.18534
force_rgl> df(natom) -1.34691 -0.71422 1.48712
3755.0000 -50.03166 -47.98853 2.04313 2.23613 -47.34316 880.09480
3760.0000 -50.79609 -48.46503 2.33106 2.17730 -47.80512 907.53496
3765.0000 -50.09616 -47.75125 2.34491 2.10439 -48.37755 819.23284
3770.0000 -50.15242 -47.78456 2.36785 2.18797 -47.72130 857.64171
3775.0000 -50.22064 -48.11108 2.10956 2.21745 -47.48983 918.12953
3780.0000 -50.30306 -48.24279 2.06027 2.13872 -48.10796 856.67117
3785.0000 -50.26507 -48.00423 2.26085 2.13119 -48.16711 787.68998
3790.0000 -51.22419 -48.85840 2.36580 2.11568 -48.28893 836.99289
3795.0000 -49.87133 -47.71711 2.15422 2.15017 -48.01813 835.97007
3800.0000 -50.37479 -47.74275 2.63204 2.11794 -48.27112 798.25205
3805.0000 -49.42979 -47.17760 2.25219 2.21917 -47.47635 900.40992
3810.0000 -50.11804 -48.17485 1.94319 2.17953 -47.78759 903.74000
3815.0000 -50.62355 -48.75150 1.87205 2.16037 -47.93801 880.27161
3820.0000 -51.62262 -48.98878 2.63384 2.03753 -48.90252 802.83495
3825.0000 -51.00998 -48.57733 2.43265 2.08371 -48.53988 764.81005
3830.0000 -50.49932 -47.56635 2.93297 2.10616 -48.36366 770.22456
3835.0000 -49.39451 -46.74411 2.65039 2.31425 -46.72988 1009.48924
3840.0000 -49.98914 -47.63427 2.35487 2.19600 -47.65830 890.77135
3845.0000 -50.39352 -47.85035 2.54317 2.18509 -47.74394 873.61732
3850.0000 -49.97878 -47.25852 2.72027 2.22293 -47.44684 871.37097
3855.0000 -49.90278 -47.05425 2.84853 2.24714 -47.25673 923.85085
3860.0000 -49.31221 -45.80242 3.50978 2.32832 -46.61939 1028.49824
3865.0000 -48.76915 -45.53235 3.23680 2.45791 -45.60193 1128.23520
3870.0000 -48.75950 -45.91390 2.84560 2.40998 -45.97820 1048.06161
3875.0000 -49.27638 -45.44471 3.83168 2.43783 -45.75955 1116.44885
3880.0000 -49.70780 -46.68675 3.02105 2.37128 -46.28211 1009.05208
3885.0000 -50.05936 -47.62262 2.43674 2.22663 -47.41778 896.96131
3890.0000 -50.51669 -48.62022 1.89647 2.15347 -47.99222 837.62540
3895.0000 -50.18913 -47.92505 2.26408 2.12699 -48.20010 795.80701
3900.0000 -50.80903 -48.47884 2.33019 2.12508 -48.21506 835.20534
3905.0000 -50.28367 -47.97253 2.31114 2.11107 -48.32509 777.69506
3910.0000 -50.73263 -47.76625 2.96638 2.18242 -47.76489 869.07044
3915.0000 -50.36933 -47.88680 2.48253 2.16641 -47.89060 876.82786
3920.0000 -49.82593 -46.78627 3.03966 2.25836 -47.16866 981.47416
3925.0000 -49.86805 -46.94452 2.92353 2.29238 -46.90158 979.36613
3930.0000 -48.81552 -45.99605 2.81947 2.34988 -46.45010 1033.97532
3935.0000 -49.61171 -46.43417 3.17754 2.32555 -46.64111 996.80704
3940.0000 -49.89728 -46.72834 3.16894 2.34354 -46.49985 1010.16353
3945.0000 -49.06342 -46.33012 2.73330 2.27903 -47.00637 945.58851
3950.0000 -49.98609 -47.49127 2.49482 2.28233 -46.98043 938.48964
3955.0000 -50.63171 -48.41720 2.21451 2.16372 -47.91169 811.06860
3960.0000 -49.95398 -46.92837 3.02561 2.17269 -47.84132 832.47887
3965.0000 -50.16143 -48.03789 2.12354 2.22434 -47.43577 955.23517
3970.0000 -51.00309 -48.37372 2.62937 2.09245 -48.47129 848.96100
3975.0000 -50.89276 -48.03974 2.85302 2.12777 -48.19394 848.90195
3980.0000 -49.56688 -47.51036 2.05652 2.18959 -47.70857 910.19107
3985.0000 -50.94182 -48.34376 2.59806 2.15007 -48.01891 856.71766
3990.0000 -50.35761 -47.86846 2.48915 2.18893 -47.71377 914.50066
3995.0000 -50.11407 -48.36228 1.75178 2.17658 -47.81078 871.01983
4000.0000 -49.68179 -47.05209 2.62970 2.24303 -47.28901 940.33619
FREEZING PROCESS: loop number 17 T-loop= 851.00000000000000
main_MD> interactions number 17 at Temperature= 851.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32493 -4.28330 -7.69657
force_rgl> df(natom) -2.20608 -1.64725 0.68105
4005.0000 -49.29706 -47.47951 1.81755 2.22300 -47.44627 960.53932
4010.0000 -50.95683 -48.32902 2.62780 2.13391 -48.14575 834.10850
4015.0000 -49.68986 -47.96453 1.72533 2.09227 -48.47270 809.25252
4020.0000 -50.37564 -47.90155 2.47409 2.11125 -48.32366 807.90013
4025.0000 -50.89506 -49.14520 1.74986 2.11243 -48.31439 782.07319
4030.0000 -50.99190 -48.83302 2.15888 2.05082 -48.79816 775.98157
4035.0000 -50.64524 -49.00888 1.63636 1.99370 -49.24660 708.37365
4040.0000 -50.48744 -48.55214 1.93530 1.99947 -49.20128 659.27768
4045.0000 -50.53007 -47.96070 2.56937 2.09175 -48.47676 803.90833
4050.0000 -50.95130 -48.00108 2.95022 2.11519 -48.29277 716.24816
4055.0000 -50.44604 -47.70660 2.73944 2.18847 -47.71742 841.26568
4060.0000 -49.63768 -46.65747 2.98020 2.24819 -47.24847 951.61842
4065.0000 -49.90635 -46.68612 3.22023 2.33720 -46.54962 1033.35065
4070.0000 -49.50456 -45.90852 3.59604 2.33188 -46.59141 1053.78578
4075.0000 -49.49395 -47.15077 2.34318 2.27857 -47.01001 946.54223
4080.0000 -49.89711 -47.74090 2.15621 2.22783 -47.40833 868.58268
4085.0000 -50.14093 -46.53148 3.60945 2.19515 -47.66492 874.60185
4090.0000 -50.45983 -47.94227 2.51756 2.20154 -47.61480 821.47020
4095.0000 -49.41437 -47.11385 2.30053 2.22674 -47.41694 851.57804
4100.0000 -50.81586 -48.20252 2.61334 2.22392 -47.43907 897.12856
4105.0000 -50.85875 -48.43768 2.42106 2.08495 -48.53017 805.31725
4110.0000 -50.72619 -47.56022 3.16596 2.18380 -47.75403 906.27450
4115.0000 -50.31322 -47.91575 2.39747 2.25094 -47.22690 965.43342
4120.0000 -49.58259 -47.13725 2.44533 2.21129 -47.53822 851.83441
4125.0000 -50.65802 -46.48156 4.17646 2.34705 -46.47228 1017.21391
4130.0000 -49.26492 -46.87401 2.39092 2.33180 -46.59205 1056.07870
4135.0000 -50.34022 -47.26763 3.07259 2.26113 -47.14690 995.44380
4140.0000 -50.17375 -47.81367 2.36008 2.21656 -47.49688 861.14809
4145.0000 -50.63650 -48.07816 2.55833 2.19402 -47.67382 851.69920
4150.0000 -49.56012 -47.06767 2.49245 2.18242 -47.76488 902.73826
4155.0000 -50.01029 -47.37929 2.63100 2.21200 -47.53267 889.96098
4160.0000 -50.13832 -47.79586 2.34246 2.17589 -47.81615 877.18185
4165.0000 -50.88782 -47.77835 3.10948 2.10265 -48.39121 789.69919
4170.0000 -50.00893 -47.58914 2.41979 2.15997 -47.94115 874.26625
4175.0000 -50.16435 -47.26430 2.90006 2.26007 -47.15520 906.87026
4180.0000 -50.82334 -48.77974 2.04360 2.16478 -47.90340 807.18568
4185.0000 -50.18764 -47.88060 2.30705 2.11408 -48.30144 781.78940
4190.0000 -50.80800 -47.92994 2.87806 2.09689 -48.43642 832.34155
4195.0000 -50.53128 -47.81921 2.71207 2.16159 -47.92846 846.60464
4200.0000 -49.92027 -48.02768 1.89259 2.17887 -47.79277 925.46366
4205.0000 -49.69722 -47.40115 2.29608 2.17391 -47.83169 864.76321
4210.0000 -49.83750 -47.87085 1.96664 2.22456 -47.43400 947.84753
4215.0000 -50.45865 -47.98836 2.47029 2.14124 -48.08823 791.27086
4220.0000 -50.86045 -48.32623 2.53422 2.11428 -48.29993 846.20634
4225.0000 -49.51432 -46.95128 2.56304 2.16692 -47.88662 873.32911
4230.0000 -48.80320 -45.97162 2.83157 2.36699 -46.31573 1050.74434
4235.0000 -48.65685 -46.39061 2.26624 2.42579 -45.85409 1011.38133
4240.0000 -50.09160 -47.37365 2.71795 2.35474 -46.41196 984.86252
4245.0000 -50.16807 -46.79890 3.36917 2.25841 -47.16825 941.04450
4250.0000 -48.92051 -46.55870 2.36181 2.32819 -46.62041 982.80794
FREEZING PROCESS: loop number 18 T-loop= 826.00000000000000
main_MD> interactions number 18 at Temperature= 826.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.51641 0.24602 -0.28856
force_rgl> df(natom) -2.40204 -1.58025 -0.31622
4255.0000 -50.25380 -47.86825 2.38555 2.25119 -47.22496 931.53183
4260.0000 -50.75822 -48.09430 2.66392 2.17778 -47.80132 850.70678
4265.0000 -50.60719 -48.22592 2.38126 2.12753 -48.19589 859.98639
4270.0000 -51.57740 -49.96909 1.60831 2.01214 -49.10185 724.79260
4275.0000 -50.52883 -47.77423 2.75459 2.03412 -48.92928 729.01715
4280.0000 -50.91032 -48.31233 2.59799 2.18226 -47.76616 895.18208
4285.0000 -50.77832 -48.04022 2.73810 2.12581 -48.20935 876.12567
4290.0000 -50.38102 -47.94636 2.43466 2.13427 -48.14292 831.40265
4295.0000 -50.95596 -48.59693 2.35903 2.09993 -48.41254 839.75240
4300.0000 -49.77504 -47.30418 2.47086 2.16287 -47.91840 904.45395
4305.0000 -49.45895 -46.42197 3.03698 2.31362 -46.73476 1033.08518
4310.0000 -49.25050 -46.23546 3.01504 2.32739 -46.62665 976.08615
4315.0000 -51.15872 -48.73972 2.41900 2.19798 -47.64272 865.02561
4320.0000 -51.25056 -49.22145 2.02912 2.10294 -48.38893 794.32220
4325.0000 -51.19734 -48.91592 2.28142 1.99105 -49.26741 689.05780
4330.0000 -50.62631 -48.80119 1.82511 2.05568 -48.75999 773.14264
4335.0000 -50.94697 -48.28767 2.65930 2.12298 -48.23157 853.42145
4340.0000 -50.32388 -47.81196 2.51192 2.20138 -47.61600 827.47053
4345.0000 -50.30820 -48.50247 1.80574 2.17347 -47.83519 840.36572
4350.0000 -50.86964 -48.57174 2.29790 2.12134 -48.24446 787.77608
4355.0000 -50.27149 -48.14274 2.12875 2.13155 -48.16428 811.06868
4360.0000 -50.12912 -48.07813 2.05099 2.14075 -48.09204 808.21443
4365.0000 -51.10045 -48.96324 2.13721 2.13509 -48.13653 862.07573
4370.0000 -51.09054 -49.02303 2.06751 2.02670 -48.98753 735.34052
4375.0000 -50.70376 -48.44922 2.25453 2.10268 -48.39094 838.99097
4380.0000 -50.21407 -48.45612 1.75794 2.11757 -48.27404 764.51975
4385.0000 -49.80809 -48.11552 1.69257 2.12695 -48.20041 779.24872
4390.0000 -51.08866 -48.37308 2.71558 2.13665 -48.12423 845.40799
4395.0000 -50.35586 -47.59320 2.76266 2.14713 -48.04198 876.24969
4400.0000 -49.95409 -47.29443 2.65966 2.21011 -47.54749 902.39490
4405.0000 -50.33818 -47.38807 2.95011 2.23288 -47.36870 969.86537
4410.0000 -49.92491 -47.13170 2.79321 2.20430 -47.59314 900.03980
4415.0000 -50.02229 -47.33712 2.68516 2.23494 -47.35250 866.52426
4420.0000 -49.48783 -47.40376 2.08407 2.24199 -47.29718 896.01114
4425.0000 -50.69915 -48.07698 2.62218 2.13688 -48.12244 807.79514
4430.0000 -50.89962 -49.18248 1.71714 2.07118 -48.63832 798.80885
4435.0000 -51.08819 -49.06661 2.02158 2.03318 -48.93668 741.07361
4440.0000 -50.17961 -48.69479 1.48482 2.04702 -48.82798 699.60847
4445.0000 -50.31381 -48.08454 2.22927 2.13770 -48.11599 833.53479
4450.0000 -50.11911 -47.67153 2.44758 2.12787 -48.19320 860.22944
4455.0000 -50.68326 -48.18587 2.49739 2.17500 -47.82312 848.31056
4460.0000 -51.05064 -49.14379 1.90685 2.02496 -49.00114 747.95766
4465.0000 -50.69365 -48.57688 2.11676 2.03621 -48.91287 709.08396
4470.0000 -49.92095 -47.22696 2.69400 2.15714 -47.96338 807.31456
4475.0000 -50.01029 -47.35075 2.65954 2.25865 -47.16638 882.63460
4480.0000 -49.80351 -46.97949 2.82403 2.18389 -47.75335 801.89225
4485.0000 -49.98427 -47.43935 2.54492 2.18475 -47.74659 837.18786
4490.0000 -50.91872 -47.62905 3.28967 2.16034 -47.93823 878.33188
4495.0000 -49.93232 -48.01026 1.92206 2.13959 -48.10115 852.05214
4500.0000 -51.19183 -48.61618 2.57565 2.07420 -48.61461 719.35688
FREEZING PROCESS: loop number 19 T-loop= 801.00000000000000
main_MD> interactions number 19 at Temperature= 801.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24541 2.46456 0.45861
force_rgl> df(natom) 3.60345 3.25608 3.18614
4505.0000 -51.10954 -48.18461 2.92493 2.07410 -48.61532 798.56225
4510.0000 -50.29233 -48.53100 1.76133 2.14281 -48.07588 840.33410
4515.0000 -50.56326 -48.66934 1.89392 2.06985 -48.64876 666.63545
4520.0000 -50.65500 -48.31907 2.33593 2.07534 -48.60561 762.50578
4525.0000 -51.42427 -49.24582 2.17845 2.08180 -48.55489 772.93650
4530.0000 -51.38106 -49.67653 1.70453 1.99602 -49.22840 701.97926
4535.0000 -50.71336 -48.26798 2.44537 2.03696 -48.90696 730.12736
4540.0000 -50.81663 -48.48332 2.33331 2.10779 -48.35084 774.60717
4545.0000 -51.03288 -49.11831 1.91458 2.03359 -48.93340 724.01295
4550.0000 -51.12074 -49.13431 1.98643 2.04373 -48.85378 742.67387
4555.0000 -51.51316 -49.59156 1.92160 1.95536 -49.54761 661.27100
4560.0000 -51.86353 -49.58863 2.27490 2.01212 -49.10203 741.65496
4565.0000 -49.73942 -47.45371 2.28571 2.12003 -48.25475 825.23003
4570.0000 -50.91978 -48.99301 1.92677 2.11115 -48.32447 793.27880
4575.0000 -50.53805 -48.56794 1.97011 2.08700 -48.51409 836.06975
4580.0000 -50.92258 -48.68913 2.23346 2.09102 -48.48253 825.41652
4585.0000 -50.98250 -49.00460 1.97789 2.07671 -48.59490 757.27583
4590.0000 -51.40110 -49.88713 1.51397 1.95417 -49.55702 653.90667
4595.0000 -51.27005 -47.98223 3.28781 2.00869 -49.12889 737.09848
4600.0000 -51.34319 -49.45204 1.89115 2.07313 -48.62296 804.97767
4605.0000 -51.11333 -48.90794 2.20539 2.04282 -48.86095 739.60935
4610.0000 -50.00609 -47.29854 2.70755 2.14026 -48.09587 797.56177
4615.0000 -50.53857 -48.29948 2.23908 2.11599 -48.28643 731.14722
4620.0000 -51.37762 -49.26888 2.10874 2.03462 -48.92534 762.35888
4625.0000 -50.60742 -48.56593 2.04149 2.03613 -48.91349 714.83497
4630.0000 -50.96052 -48.76556 2.19497 2.09783 -48.42908 798.06674
4635.0000 -50.16967 -48.79313 1.37654 2.09541 -48.44802 718.58820
4640.0000 -50.16840 -47.26454 2.90386 2.19865 -47.63746 870.66479
4645.0000 -49.66657 -47.24173 2.42484 2.25428 -47.20069 898.21283
4650.0000 -50.22314 -48.26170 1.96144 2.17032 -47.85986 874.36870
4655.0000 -51.15103 -47.72594 3.42508 2.15476 -47.98205 865.60278
4660.0000 -49.90307 -47.10657 2.79650 2.20823 -47.56228 865.61990
4665.0000 -50.51531 -47.70969 2.80562 2.26345 -47.12866 938.39451
4670.0000 -50.40668 -48.00292 2.40376 2.17123 -47.85279 842.19788
4675.0000 -50.57034 -48.59682 1.97351 2.13822 -48.11191 830.42552
4680.0000 -50.51652 -48.95637 1.56015 2.04593 -48.83653 735.39985
4685.0000 -50.63030 -48.83556 1.79474 2.06299 -48.70260 771.27225
4690.0000 -50.16393 -47.51498 2.64895 2.07121 -48.63808 797.65133
4695.0000 -50.21347 -48.07602 2.13746 2.24096 -47.30526 981.13725
4700.0000 -49.52092 -47.67550 1.84542 2.25413 -47.20189 907.65037
4705.0000 -50.06364 -47.81964 2.24400 2.18330 -47.75798 916.33617
4710.0000 -50.73348 -49.07302 1.66046 2.03645 -48.91095 718.23263
4715.0000 -50.25528 -48.15197 2.10331 2.09362 -48.46213 824.16608
4720.0000 -51.26133 -48.99184 2.26948 2.05288 -48.78198 756.04933
4725.0000 -51.01214 -49.09633 1.91581 2.00464 -49.16075 738.79522
4730.0000 -51.22844 -49.08532 2.14313 2.00268 -49.17610 719.04625
4735.0000 -50.69508 -49.09742 1.59766 1.99694 -49.22116 671.90712
4740.0000 -50.61942 -48.03496 2.58446 2.06038 -48.72305 756.24421
4745.0000 -50.15629 -47.27755 2.87873 2.16122 -47.93135 830.19898
4750.0000 -49.86856 -47.78417 2.08439 2.21435 -47.51423 905.07227
FREEZING PROCESS: loop number 20 T-loop= 776.00000000000000
main_MD> interactions number 20 at Temperature= 776.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.78148 -0.78427 -2.88989
force_rgl> df(natom) -2.19889 -2.16860 -2.41887
4755.0000 -50.69353 -48.13504 2.55849 2.15555 -47.97583 872.91669
4760.0000 -50.43034 -48.02748 2.40286 2.06530 -48.68444 763.04598
4765.0000 -50.35203 -47.73940 2.61263 2.22402 -47.43824 876.35194
4770.0000 -49.95232 -48.26409 1.68823 2.13606 -48.12891 738.88157
4775.0000 -50.71592 -48.52831 2.18761 2.11073 -48.32778 805.18026
4780.0000 -50.40798 -48.11321 2.29477 2.11326 -48.30787 786.32096
4785.0000 -50.48098 -48.35262 2.12836 2.12702 -48.19990 800.83467
4790.0000 -50.47062 -48.18319 2.28743 2.04710 -48.82733 662.91085
4795.0000 -49.42547 -47.65208 1.77339 2.17376 -47.83289 812.20461
4800.0000 -50.84948 -48.18443 2.66505 2.18075 -47.77803 916.25244
4805.0000 -50.28204 -47.83405 2.44799 2.15439 -47.98496 871.54089
4810.0000 -50.46000 -47.62186 2.83813 2.16911 -47.86938 889.60400
4815.0000 -50.57841 -48.04145 2.53696 2.18956 -47.70882 825.86921
4820.0000 -49.78517 -47.80185 1.98331 2.14312 -48.07348 801.31054
4825.0000 -50.47629 -48.07057 2.40572 2.15785 -47.95782 823.36765
4830.0000 -51.02455 -49.41112 1.61344 2.05097 -48.79700 745.95048
4835.0000 -51.36694 -49.35586 2.01108 1.98508 -49.31433 593.44227
4840.0000 -50.02467 -47.75816 2.26651 2.04554 -48.83960 748.43240
4845.0000 -50.61366 -47.99809 2.61557 2.09387 -48.46016 843.99861
4850.0000 -51.69416 -49.61927 2.07488 2.04003 -48.88286 736.87160
4855.0000 -51.02932 -49.20991 1.81941 1.97999 -49.35427 677.07184
4860.0000 -50.98376 -48.62233 2.36143 2.01440 -49.08412 692.71010
4865.0000 -51.81299 -49.78943 2.02356 1.99978 -49.19887 627.97196
4870.0000 -50.90831 -49.04095 1.86736 1.96872 -49.44273 678.06231
4875.0000 -50.54643 -48.97712 1.56931 2.04448 -48.84793 703.99108
4880.0000 -50.23895 -48.58643 1.65252 2.06146 -48.71462 693.35336
4885.0000 -50.39193 -47.65363 2.73830 2.19059 -47.70079 854.25304
4890.0000 -49.81030 -47.46793 2.34237 2.18293 -47.76085 882.09996
4895.0000 -50.65515 -48.08683 2.56832 2.20126 -47.61694 853.29657
4900.0000 -51.40096 -48.76579 2.63517 2.11257 -48.31330 796.26820
4905.0000 -51.26266 -49.05135 2.21131 2.02106 -49.03180 735.20478
4910.0000 -50.83345 -48.34247 2.49098 2.03971 -48.88541 741.75927
4915.0000 -50.55158 -48.57902 1.97256 2.09137 -48.47974 821.91633
4920.0000 -50.71203 -48.96640 1.74563 2.09038 -48.48751 829.46152
4925.0000 -51.33277 -48.77879 2.55399 2.06510 -48.68599 814.88671
4930.0000 -50.80031 -49.06291 1.73740 2.02458 -49.00416 723.16439
4935.0000 -51.52046 -49.59183 1.92863 2.04297 -48.85975 741.00546
4940.0000 -51.41186 -49.35939 2.05247 1.97294 -49.40962 676.05425
4945.0000 -51.35977 -49.69063 1.66914 1.97213 -49.41594 688.79729
4950.0000 -51.51428 -48.75545 2.75883 2.07652 -48.59638 767.69468
4955.0000 -50.97261 -49.30748 1.66513 2.02257 -49.01992 711.32268
4960.0000 -50.60318 -48.82350 1.77968 2.02572 -48.99524 712.18759
4965.0000 -51.37587 -49.08513 2.29074 2.02863 -48.97235 747.70392
4970.0000 -50.95790 -48.66060 2.29730 2.06760 -48.66640 807.20143
4975.0000 -50.29450 -48.26707 2.02743 2.09848 -48.42396 817.55731
4980.0000 -50.92980 -48.55040 2.37940 2.11415 -48.30095 801.02208
4985.0000 -51.07175 -48.92920 2.14255 1.99976 -49.19906 725.78113
4990.0000 -51.79932 -49.42632 2.37300 2.01454 -49.08299 722.87057
4995.0000 -51.00091 -48.70761 2.29330 2.04118 -48.87385 770.22755
5000.0000 -51.19519 -48.14411 3.05108 2.10963 -48.33638 842.81106
FREEZING PROCESS: loop number 21 T-loop= 751.00000000000000
main_MD> interactions number 21 at Temperature= 751.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14909 2.27544 1.48006
force_rgl> df(natom) -1.87991 -1.65334 -1.50239
5005.0000 -51.08448 -48.60652 2.47796 2.06131 -48.71578 788.65894
5010.0000 -50.46372 -47.10333 3.36040 2.15311 -47.99503 919.97456
5015.0000 -50.82744 -49.13627 1.69116 2.13457 -48.14058 850.32559
5020.0000 -50.41712 -48.69850 1.71862 2.05844 -48.73832 760.74219
5025.0000 -51.03172 -49.81524 1.21648 1.95172 -49.57625 629.37036
5030.0000 -51.09938 -49.24869 1.85069 2.00082 -49.19073 711.86772
5035.0000 -51.50887 -49.18885 2.32002 1.94316 -49.64345 656.26488
5040.0000 -50.69819 -48.17327 2.52492 2.05726 -48.74758 775.10477
5045.0000 -51.57996 -49.07552 2.50444 2.07425 -48.61419 833.09248
5050.0000 -50.64428 -48.96973 1.67456 2.02576 -48.99492 721.22751
5055.0000 -50.54079 -48.30349 2.23730 2.06408 -48.69399 770.75373
5060.0000 -50.82178 -48.26649 2.55529 2.07833 -48.58213 785.41721
5065.0000 -51.52392 -49.11462 2.40930 2.08740 -48.51095 815.62937
5070.0000 -51.37859 -49.39383 1.98476 1.96074 -49.50538 686.01260
5075.0000 -50.78342 -48.42902 2.35440 2.04149 -48.87137 703.26513
5080.0000 -51.15487 -49.10308 2.05179 2.04426 -48.84966 674.62250
5085.0000 -51.08706 -48.34458 2.74249 2.07762 -48.58769 720.62040
5090.0000 -50.04568 -48.41819 1.62749 2.12480 -48.21731 799.00694
5095.0000 -50.52848 -48.45076 2.07772 2.08700 -48.51411 782.19313
5100.0000 -50.58015 -48.24352 2.33663 2.05456 -48.76876 788.08557
5105.0000 -51.35942 -48.39153 2.96788 2.09843 -48.42436 815.95831
5110.0000 -51.21055 -49.67495 1.53560 2.04924 -48.81057 741.71359
5115.0000 -51.05528 -48.88581 2.16946 2.00386 -49.16685 751.31162
5120.0000 -51.27488 -49.20838 2.06650 1.98974 -49.27774 668.12176
5125.0000 -51.49767 -49.22062 2.27706 2.03614 -48.91339 738.50498
5130.0000 -51.31898 -49.45717 1.86181 1.98483 -49.31624 697.39074
5135.0000 -51.51872 -49.54517 1.97355 1.97582 -49.38701 700.96209
5140.0000 -51.27162 -49.73823 1.53339 1.98870 -49.28584 714.42044
5145.0000 -51.26421 -49.34455 1.91966 1.95826 -49.52484 644.12035
5150.0000 -50.84238 -48.69692 2.14546 2.00520 -49.15635 676.06237
5155.0000 -51.01578 -48.84302 2.17276 2.01901 -49.04789 713.38074
5160.0000 -51.53450 -49.37311 2.16139 2.02339 -49.01352 724.99315
5165.0000 -50.74450 -48.33845 2.40604 2.05364 -48.77601 814.40398
5170.0000 -49.55931 -48.08056 1.47875 2.12805 -48.19175 856.60111
5175.0000 -50.87388 -48.56634 2.30754 2.05208 -48.78828 739.55719
5180.0000 -51.13320 -48.93544 2.19776 2.06386 -48.69579 755.23570
5185.0000 -51.52370 -49.40038 2.12331 1.99699 -49.22082 754.84583
5190.0000 -50.92953 -48.32423 2.60530 2.00488 -49.15885 694.08371
5195.0000 -49.40560 -47.64913 1.75647 2.17835 -47.79681 883.48672
5200.0000 -49.80325 -46.66928 3.13397 2.23677 -47.33816 843.29420
5205.0000 -49.64744 -46.84853 2.79891 2.34660 -46.47584 972.03893
5210.0000 -51.11365 -48.49054 2.62311 2.14081 -48.09159 834.50455
5215.0000 -50.46471 -48.15142 2.31328 2.12098 -48.24728 786.35590
5220.0000 -50.72162 -48.60690 2.11472 2.09852 -48.42366 816.30176
5225.0000 -49.78928 -47.11710 2.67218 2.14880 -48.02883 828.93714
5230.0000 -50.07699 -47.75168 2.32531 2.23929 -47.31839 909.81252
5235.0000 -50.17936 -47.36401 2.81536 2.16582 -47.89526 866.75161
5240.0000 -50.55050 -48.60989 1.94061 2.13011 -48.17562 804.31463
5245.0000 -50.49407 -48.26993 2.22414 2.08609 -48.52125 728.89101
5250.0000 -50.93018 -47.90572 3.02447 2.13012 -48.17550 820.89556
FREEZING PROCESS: loop number 22 T-loop= 726.00000000000000
main_MD> interactions number 22 at Temperature= 726.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78053 -0.94715 0.04255
force_rgl> df(natom) -1.28172 -1.31490 0.58977
5255.0000 -50.82496 -48.68660 2.13837 2.08186 -48.55444 807.25735
5260.0000 -51.80493 -49.39918 2.40575 2.03762 -48.90181 733.53295
5265.0000 -50.79512 -49.02148 1.77364 1.96853 -49.44427 671.44335
5270.0000 -50.55258 -48.19014 2.36244 2.05872 -48.73609 766.95949
5275.0000 -51.01045 -48.66461 2.34584 2.11808 -48.27003 722.67666
5280.0000 -50.75955 -48.90832 1.85123 2.06674 -48.67318 758.95524
5285.0000 -50.57713 -48.14972 2.42742 2.08236 -48.55054 733.74297
5290.0000 -51.49781 -49.55141 1.94640 2.04617 -48.83465 775.88843
5295.0000 -51.21043 -49.22761 1.98281 2.00713 -49.14116 713.04193
5300.0000 -51.31686 -49.44320 1.87366 1.97375 -49.40323 676.05230
5305.0000 -51.19051 -49.22722 1.96329 1.96975 -49.43469 660.24221
5310.0000 -51.90224 -49.50642 2.39582 1.97816 -49.36866 703.25296
5315.0000 -51.64342 -50.40357 1.23985 1.89046 -50.05723 610.72672
5320.0000 -50.90353 -48.91024 1.99328 1.95901 -49.51902 664.85531
5325.0000 -50.70146 -49.05969 1.64177 2.03670 -48.90896 665.55908
5330.0000 -50.41118 -48.87202 1.53916 1.98819 -49.28986 557.56286
5335.0000 -51.23393 -49.21079 2.02314 1.99013 -49.27463 628.98701
5340.0000 -50.86841 -48.79685 2.07156 2.02362 -49.01169 769.35784
5345.0000 -50.59077 -48.02829 2.56248 2.08230 -48.55094 813.39349
5350.0000 -50.62908 -48.47319 2.15588 2.11937 -48.25991 868.63746
5355.0000 -51.42624 -48.90831 2.51793 2.09660 -48.43867 821.08080
5360.0000 -51.15894 -48.28900 2.86994 2.07524 -48.60643 750.60724
5365.0000 -50.14936 -47.80799 2.34137 2.13328 -48.15073 848.70844
5370.0000 -50.35717 -48.68725 1.66992 2.14349 -48.07054 805.71899
5375.0000 -50.62543 -48.73026 1.89517 2.06085 -48.71936 769.46734
5380.0000 -50.65590 -49.12789 1.52802 2.03765 -48.90155 690.77608
5385.0000 -51.02178 -49.37587 1.64591 2.01917 -49.04664 718.13409
5390.0000 -51.06947 -48.14054 2.92893 2.04907 -48.81187 776.39373
5395.0000 -50.80667 -48.04721 2.75946 2.12266 -48.23412 867.54520
5400.0000 -50.24738 -47.91960 2.32778 2.09351 -48.46298 780.84412
5405.0000 -49.97399 -47.86155 2.11244 2.19545 -47.66260 838.42958
5410.0000 -51.06131 -48.71384 2.34746 2.11983 -48.25629 772.22037
5415.0000 -50.91651 -48.54803 2.36848 2.10209 -48.39559 785.20949
5420.0000 -50.36702 -47.49904 2.86798 2.12986 -48.17760 811.09560
5425.0000 -51.29197 -48.78582 2.50615 2.08544 -48.52632 826.50184
5430.0000 -50.45200 -48.13757 2.31443 2.08955 -48.49405 769.08762
5435.0000 -51.02094 -48.67859 2.34234 2.07623 -48.59861 760.62740
5440.0000 -51.48399 -49.37141 2.11258 1.99194 -49.26043 687.94339
5445.0000 -51.47211 -49.33455 2.13755 2.01253 -49.09876 743.80610
5450.0000 -51.09569 -48.69603 2.39966 2.05399 -48.77328 793.93843
5455.0000 -50.78227 -48.81643 1.96584 2.02532 -48.99835 730.87005
5460.0000 -51.17192 -49.44910 1.72282 1.99071 -49.27009 697.13351
5465.0000 -51.14149 -49.36632 1.77518 2.01684 -49.06497 751.65058
5470.0000 -51.44410 -49.48155 1.96255 1.95958 -49.51449 697.92503
5475.0000 -51.47826 -49.59855 1.87971 1.92626 -49.77610 600.65243
5480.0000 -51.78319 -49.13238 2.65081 1.95441 -49.55514 704.88007
5485.0000 -51.65275 -49.53296 2.11979 1.95178 -49.57573 667.51669
5490.0000 -51.87965 -50.18895 1.69070 1.95704 -49.53448 673.94956
5495.0000 -50.82709 -49.63149 1.19560 1.92725 -49.76835 623.06754
5500.0000 -51.25715 -49.20386 2.05329 1.96830 -49.44605 686.40463
FREEZING PROCESS: loop number 23 T-loop= 701.00000000000000
main_MD> interactions number 23 at Temperature= 701.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64823 4.11574 0.29349
force_rgl> df(natom) 2.90806 0.12019 0.77644
5505.0000 -50.88782 -48.80938 2.07844 2.01753 -49.05949 740.07812
5510.0000 -51.43257 -49.33190 2.10068 1.97713 -49.37669 626.94287
5515.0000 -51.34457 -49.32066 2.02391 1.98933 -49.28096 697.90879
5520.0000 -52.06145 -49.88171 2.17974 1.95301 -49.56606 664.83173
5525.0000 -51.81263 -49.61577 2.19686 1.92344 -49.79824 646.73778
5530.0000 -51.26837 -49.28487 1.98350 1.98811 -49.29053 711.72506
5535.0000 -51.41827 -49.91915 1.49912 1.94712 -49.61234 635.06295
5540.0000 -51.29021 -49.59028 1.69993 1.94011 -49.66734 625.08275
5545.0000 -51.78193 -50.10231 1.67962 1.97991 -49.35489 721.63349
5550.0000 -51.40964 -49.60597 1.80367 1.90213 -49.96555 606.58834
5555.0000 -51.34261 -49.92845 1.41416 1.91843 -49.83757 591.13511
5560.0000 -51.79989 -49.75014 2.04976 1.93673 -49.69390 657.19882
5565.0000 -51.85558 -49.91135 1.94423 1.88702 -50.08417 600.63969
5570.0000 -51.95311 -50.68683 1.26628 1.85653 -50.32358 562.72585
5575.0000 -51.00856 -49.37489 1.63367 1.87683 -50.16418 577.75531
5580.0000 -50.55410 -48.51654 2.03756 2.02827 -48.97518 705.86757
5585.0000 -51.13654 -48.91524 2.22130 2.11193 -48.31835 793.46060
5590.0000 -51.48785 -49.09585 2.39200 2.04055 -48.87881 760.81254
5595.0000 -50.61074 -48.76405 1.84668 2.03983 -48.88446 758.34263
5600.0000 -51.47939 -48.89629 2.58310 2.08200 -48.55337 782.48299
5605.0000 -51.14216 -48.98146 2.16070 2.09893 -48.42039 844.79958
5610.0000 -51.81567 -49.33068 2.48499 2.04395 -48.85212 752.23772
5615.0000 -51.87853 -49.99465 1.88388 1.94035 -49.66546 644.81609
5620.0000 -50.58750 -49.16467 1.42283 1.89667 -50.00844 586.99751
5625.0000 -50.65860 -48.74404 1.91456 2.02972 -48.96381 713.05888
5630.0000 -50.29264 -48.39505 1.89759 2.05259 -48.78423 721.75211
5635.0000 -50.97393 -49.06070 1.91322 2.08245 -48.54984 766.04358
5640.0000 -52.03381 -49.88333 2.15048 1.98328 -49.32841 700.02573
5645.0000 -51.53126 -49.30339 2.22787 1.93738 -49.68880 640.43214
5650.0000 -51.08637 -49.05221 2.03416 1.95785 -49.52809 672.64795
5655.0000 -50.09345 -47.95262 2.14082 2.05693 -48.75016 713.96282
5660.0000 -51.32792 -49.21582 2.11209 2.05998 -48.72622 764.06494
5665.0000 -51.30295 -48.87464 2.42831 2.01555 -49.07503 715.46283
5670.0000 -50.88632 -49.01752 1.86880 2.05064 -48.79957 762.35119
5675.0000 -51.62112 -49.90970 1.71142 2.01345 -49.09153 723.27337
5680.0000 -51.80314 -50.17522 1.62792 1.85708 -50.31929 540.78924
5685.0000 -51.74845 -49.53030 2.21816 1.95126 -49.57980 675.84386
5690.0000 -51.34035 -49.67860 1.66175 1.93351 -49.71919 633.47343
5695.0000 -50.82431 -48.60761 2.21670 2.04151 -48.87121 770.85913
5700.0000 -51.30888 -49.28428 2.02459 2.03992 -48.88370 728.59176
5705.0000 -51.47028 -49.14873 2.32155 2.00594 -49.15050 684.20268
5710.0000 -51.03938 -49.00493 2.03445 1.99930 -49.20265 702.44651
5715.0000 -51.58237 -49.48437 2.09800 1.94902 -49.59744 649.13476
5720.0000 -51.25294 -49.35236 1.90059 1.93989 -49.66911 659.38591
5725.0000 -51.09135 -49.31403 1.77732 1.99589 -49.22945 688.43153
5730.0000 -51.73170 -49.93752 1.79418 1.95448 -49.55456 634.53925
5735.0000 -52.03708 -50.32383 1.71325 1.88619 -50.09076 568.19889
5740.0000 -51.80186 -50.21202 1.58984 1.82572 -50.56550 534.74619
5745.0000 -51.76422 -49.72367 2.04055 1.90663 -49.93021 606.78721
5750.0000 -50.95794 -48.25441 2.70353 2.04148 -48.87144 771.42723
FREEZING PROCESS: loop number 24 T-loop= 676.00000000000000
main_MD> interactions number 24 at Temperature= 676.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.98772 -2.92292 -3.32453
force_rgl> df(natom) 2.14428 0.04169 -2.68267
5755.0000 -51.43183 -48.73699 2.69484 2.08327 -48.54338 749.69339
5760.0000 -51.27240 -48.53144 2.74095 2.07303 -48.62378 776.20618
5765.0000 -51.27513 -49.83315 1.44199 1.98782 -49.29281 676.25550
5770.0000 -51.06578 -49.19836 1.86742 1.97218 -49.41561 639.92040
5775.0000 -51.74696 -49.48453 2.26243 1.95764 -49.52972 655.87585
5780.0000 -51.81640 -49.65114 2.16526 1.96437 -49.47693 674.55081
5785.0000 -51.06844 -49.18493 1.88351 1.98810 -49.29060 691.27681
5790.0000 -51.23082 -48.96081 2.27002 2.00969 -49.12108 744.53671
5795.0000 -51.04733 -49.01331 2.03402 2.03715 -48.90550 749.56234
5800.0000 -52.00451 -49.33447 2.67003 2.00533 -49.15534 684.82942
5805.0000 -51.15014 -49.65697 1.49317 1.93896 -49.67640 644.24281
5810.0000 -51.61391 -49.23687 2.37704 1.95388 -49.55923 652.18494
5815.0000 -51.55565 -49.88566 1.66999 1.97312 -49.40821 685.93587
5820.0000 -51.46239 -49.42495 2.03744 1.92806 -49.76199 616.87944
5825.0000 -51.01968 -49.13066 1.88902 2.01474 -49.08142 739.82194
5830.0000 -51.24555 -48.98246 2.26309 1.98725 -49.29726 671.78451
5835.0000 -51.02273 -49.49973 1.52300 2.00557 -49.15343 676.50703
5840.0000 -51.67091 -49.96599 1.70492 1.93959 -49.67144 643.22238
5845.0000 -51.11451 -48.92654 2.18797 1.97143 -49.42149 675.85953
5850.0000 -51.41302 -49.31310 2.09992 2.02525 -48.99892 721.17067
5855.0000 -51.31490 -49.05602 2.25888 1.98557 -49.31046 681.64762
5860.0000 -51.02669 -48.83847 2.18823 2.06047 -48.72237 772.98523
5865.0000 -51.34597 -49.55871 1.78726 1.97992 -49.35483 684.55523
5870.0000 -51.00622 -49.57361 1.43261 1.98855 -49.28702 669.68421
5875.0000 -51.99127 -50.68372 1.30755 1.84800 -50.39056 562.41234
5880.0000 -51.75505 -50.13870 1.61635 1.82717 -50.55409 528.09038
5885.0000 -51.66207 -49.78306 1.87901 1.92070 -49.81977 614.29503
5890.0000 -51.51151 -49.68027 1.83124 1.92350 -49.79780 631.21538
5895.0000 -51.58901 -49.69836 1.89065 1.95603 -49.54236 659.31849
5900.0000 -51.01191 -48.96771 2.04420 1.99091 -49.26851 705.22574
5905.0000 -51.06237 -49.45432 1.60806 1.97095 -49.42522 677.51230
5910.0000 -51.24997 -49.72194 1.52804 1.99711 -49.21984 700.91948
5915.0000 -51.27256 -49.32437 1.94819 1.94658 -49.61661 603.24851
5920.0000 -51.28590 -49.47836 1.80753 2.00071 -49.19159 703.13979
5925.0000 -51.33269 -48.90372 2.42897 1.99707 -49.22016 712.79527
5930.0000 -51.32068 -49.95354 1.36714 1.94696 -49.61358 625.77479
5935.0000 -51.34779 -49.80468 1.54311 1.93081 -49.74036 641.33731
5940.0000 -51.56091 -48.95186 2.60905 1.99230 -49.25764 751.11259
5945.0000 -51.38654 -49.39931 1.98723 1.97301 -49.40905 701.88790
5950.0000 -51.36626 -48.66906 2.69720 2.04441 -48.84844 763.07497
5955.0000 -51.44201 -49.04506 2.39694 2.00299 -49.17371 692.28822
5960.0000 -50.74469 -48.42131 2.32338 2.05786 -48.74289 750.48722
5965.0000 -51.15895 -49.67754 1.48141 1.99620 -49.22699 640.42117
5970.0000 -51.67258 -50.14736 1.52522 1.86324 -50.27095 493.16532
5975.0000 -51.61660 -50.02150 1.59510 1.90706 -49.92689 548.41593
5980.0000 -51.99131 -49.97444 2.01686 1.88955 -50.06435 614.44073
5985.0000 -51.22635 -48.79623 2.43013 2.00765 -49.13712 744.51417
5990.0000 -51.18016 -49.06066 2.11950 2.03755 -48.90232 781.44625
5995.0000 -51.33187 -49.30543 2.02644 2.00638 -49.14703 701.46269
6000.0000 -51.26502 -49.36457 1.90045 1.98483 -49.31622 674.03258
FREEZING PROCESS: loop number 25 T-loop= 651.00000000000000
main_MD> interactions number 25 at Temperature= 651.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.07819 3.16544 0.59304
force_rgl> df(natom) -2.91429 0.30845 2.57730
6005.0000 -51.35565 -49.05493 2.30072 2.02923 -48.96766 729.55970
6010.0000 -51.26676 -49.41734 1.84941 1.98283 -49.33193 678.24566
6015.0000 -51.78390 -50.13631 1.64758 1.94032 -49.66573 551.44287
6020.0000 -51.42187 -49.97354 1.44833 1.86700 -50.24143 533.34883
6025.0000 -52.22252 -50.78672 1.43580 1.86979 -50.21947 562.68523
6030.0000 -52.18366 -50.85153 1.33212 1.79661 -50.79404 480.46601
6035.0000 -51.90720 -49.47497 2.43223 1.87232 -50.19961 572.96467
6040.0000 -51.38204 -49.84695 1.53509 1.91094 -49.89639 549.72527
6045.0000 -51.52858 -49.78587 1.74271 1.93417 -49.71403 627.56037
6050.0000 -51.71592 -49.69594 2.01998 1.90808 -49.91888 595.83650
6055.0000 -51.20013 -49.40707 1.79306 1.96050 -49.50730 639.14765
6060.0000 -51.54369 -49.39582 2.14788 2.00397 -49.16600 697.36009
6065.0000 -51.25313 -49.07651 2.17662 2.00720 -49.14059 727.44107
6070.0000 -52.06674 -50.52727 1.53947 1.95255 -49.56970 621.20867
6075.0000 -51.81728 -50.14879 1.66848 1.86782 -50.23494 508.30117
6080.0000 -51.29274 -49.37146 1.92128 1.91647 -49.85298 625.63481
6085.0000 -51.21151 -48.86171 2.34980 1.99665 -49.22344 674.91221
6090.0000 -51.81801 -49.48152 2.33649 2.00009 -49.19646 698.65249
6095.0000 -51.63488 -50.06621 1.56866 1.89747 -50.00215 609.09051
6100.0000 -51.81977 -50.26526 1.55451 1.90185 -49.96775 608.94489
6105.0000 -51.55820 -50.22073 1.33747 1.83918 -50.45981 549.79683
6110.0000 -50.86712 -48.92380 1.94332 1.99337 -49.24919 675.03984
6115.0000 -51.57145 -50.01022 1.56123 1.98010 -49.35337 692.05688
6120.0000 -51.83655 -50.64041 1.19614 1.82031 -50.60796 518.02807
6125.0000 -51.69649 -50.37715 1.31934 1.86801 -50.23349 532.53147
6130.0000 -51.43112 -49.74526 1.68586 1.90185 -49.96776 579.91030
6135.0000 -51.63678 -49.77750 1.85928 1.93081 -49.74040 618.14762
6140.0000 -50.54169 -48.85232 1.68937 1.97124 -49.42298 590.64622
6145.0000 -51.28606 -49.60799 1.67807 1.99855 -49.20857 699.60028
6150.0000 -51.52348 -49.25482 2.26866 1.94828 -49.60322 652.75392
6155.0000 -52.02183 -50.38263 1.63920 1.90980 -49.90532 618.22455
6160.0000 -51.91489 -49.84023 2.07466 1.88175 -50.12558 592.08554
6165.0000 -51.69700 -50.25033 1.44667 1.90603 -49.93493 637.06238
6170.0000 -52.34575 -49.98530 2.36045 1.86104 -50.28816 573.29959
6175.0000 -51.93758 -50.11979 1.81779 1.85436 -50.34063 538.56405
6180.0000 -51.84686 -49.47528 2.37158 1.95062 -49.58483 696.82881
6185.0000 -50.87495 -48.49020 2.38475 2.00598 -49.15017 720.65476
6190.0000 -51.60699 -49.55434 2.05265 2.02050 -49.03617 733.02693
6195.0000 -51.02620 -49.00179 2.02440 2.00322 -49.17188 695.35251
6200.0000 -51.52545 -48.98657 2.53888 2.03471 -48.92460 758.80886
6205.0000 -51.44100 -49.78144 1.65956 2.00011 -49.19630 709.88829
6210.0000 -51.30139 -49.72918 1.57221 1.89220 -50.04355 568.56275
6215.0000 -51.56451 -49.77227 1.79224 1.92371 -49.79612 612.47878
6220.0000 -50.95813 -49.12794 1.83019 1.97198 -49.41713 643.66330
6225.0000 -51.02792 -48.53765 2.49027 2.06930 -48.65302 801.71605
6230.0000 -50.35711 -48.12115 2.23595 2.14242 -48.07896 821.73064
6235.0000 -50.64070 -48.44309 2.19761 2.14193 -48.08280 767.82160
6240.0000 -51.06088 -49.05957 2.00132 2.04169 -48.86980 752.98423
6245.0000 -50.79119 -48.51607 2.27512 2.05786 -48.74284 759.69548
6250.0000 -51.61948 -49.21695 2.40254 1.99314 -49.25100 666.74597
FREEZING PROCESS: loop number 26 T-loop= 626.00000000000000
main_MD> interactions number 26 at Temperature= 626.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.26576 0.28378 1.73798
force_rgl> df(natom) 0.79022 0.67593 -1.04809
6255.0000 -51.83852 -50.13225 1.70626 1.98100 -49.34636 656.72017
6260.0000 -51.45453 -49.78433 1.67020 1.97779 -49.37153 692.41201
6265.0000 -51.92271 -49.61676 2.30595 1.93269 -49.72567 643.66876
6270.0000 -51.66894 -49.99088 1.67807 1.93052 -49.74267 660.46457
6275.0000 -51.41921 -50.03543 1.38379 1.89575 -50.01569 581.87288
6280.0000 -52.26344 -50.23677 2.02667 1.88737 -50.08146 587.25827
6285.0000 -52.03775 -50.16462 1.87313 1.84617 -50.40497 531.54823
6290.0000 -52.01440 -50.03709 1.97730 1.91334 -49.87754 634.54683
6295.0000 -51.31402 -49.65924 1.65478 1.92919 -49.75310 610.77275
6300.0000 -50.46644 -48.55115 1.91529 1.99353 -49.24797 689.55573
6305.0000 -51.40527 -49.00815 2.39712 1.99998 -49.19732 638.18194
6310.0000 -50.82943 -49.21733 1.61210 2.03692 -48.90731 722.85598
6315.0000 -50.88190 -48.90339 1.97852 2.00073 -49.19145 630.28909
6320.0000 -51.18708 -49.42468 1.76240 2.02168 -49.02692 615.63014
6325.0000 -51.43875 -49.81985 1.61890 1.97553 -49.38929 616.90870
6330.0000 -51.32910 -49.38516 1.94394 1.93636 -49.69680 614.70866
6335.0000 -51.55080 -49.27163 2.27917 2.03136 -48.95092 759.04066
6340.0000 -51.34621 -49.80294 1.54326 1.95640 -49.53950 686.79898
6345.0000 -52.23930 -50.99390 1.24541 1.87129 -50.20768 567.43965
6350.0000 -51.48370 -50.06035 1.42335 1.83811 -50.46823 506.87353
6355.0000 -51.67816 -50.31832 1.35983 1.90742 -49.92402 620.66766
6360.0000 -51.54661 -49.90488 1.64173 1.87075 -50.21192 568.95383
6365.0000 -51.77873 -49.67992 2.09881 1.94232 -49.64999 649.27108
6370.0000 -51.37941 -49.62954 1.74987 1.95085 -49.58308 654.45542
6375.0000 -51.35880 -49.60179 1.75702 1.95658 -49.53807 668.07442
6380.0000 -52.04374 -50.34820 1.69554 1.91042 -49.90046 600.72610
6385.0000 -51.65371 -49.85919 1.79451 1.89991 -49.98301 599.50498
6390.0000 -51.51374 -49.98463 1.52911 1.84081 -50.44701 527.01266
6395.0000 -51.09949 -49.23348 1.86601 1.94555 -49.62467 629.52950
6400.0000 -51.74107 -50.17462 1.56645 1.96428 -49.47762 668.86415
6405.0000 -51.97485 -50.16874 1.80611 1.88723 -50.08254 603.11501
6410.0000 -52.00911 -50.02058 1.98853 1.88545 -50.09657 597.48164
6415.0000 -51.68317 -50.28175 1.40142 1.87591 -50.17144 591.78619
6420.0000 -51.59344 -49.29481 2.29863 1.89295 -50.03767 606.60923
6425.0000 -51.47124 -49.90320 1.56804 1.98243 -49.33507 698.48711
6430.0000 -51.54234 -49.95689 1.58545 1.95415 -49.55713 639.55328
6435.0000 -52.04570 -50.23330 1.81240 1.89519 -50.02007 605.40186
6440.0000 -50.68895 -48.87790 1.81105 1.93595 -49.70001 657.10261
6445.0000 -50.93266 -49.10556 1.82710 2.04241 -48.86418 728.73784
6450.0000 -51.77380 -50.11969 1.65412 1.96595 -49.46450 630.85653
6455.0000 -51.49739 -49.39498 2.10241 1.94043 -49.66483 618.04769
6460.0000 -51.45621 -49.49358 1.96263 1.95580 -49.54416 676.90069
6465.0000 -51.48959 -49.56364 1.92594 1.97556 -49.38902 658.17815
6470.0000 -51.51924 -49.90173 1.61751 1.90633 -49.93262 590.33143
6475.0000 -51.56921 -49.96305 1.60615 1.96307 -49.48712 647.31207
6480.0000 -51.24455 -49.36364 1.88091 1.95827 -49.52482 638.35932
6485.0000 -50.92564 -49.14471 1.78093 2.03059 -48.95696 703.25227
6490.0000 -50.66748 -48.85225 1.81524 2.04458 -48.84711 729.40316
6495.0000 -51.12673 -48.55762 2.56911 2.07606 -48.59995 767.71550
6500.0000 -50.76700 -49.01985 1.74715 2.03727 -48.90452 751.88465
FREEZING PROCESS: loop number 27 T-loop= 601.00000000000000
main_MD> interactions number 27 at Temperature= 601.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.75784 -2.83067 -0.64776
force_rgl> df(natom) -6.84399 5.02811 7.65833
6505.0000 -51.33106 -49.20089 2.13017 1.98877 -49.28535 718.84198
6510.0000 -51.58325 -49.52231 2.06093 1.97906 -49.36160 694.71377
6515.0000 -51.57718 -49.60706 1.97012 1.94421 -49.63519 640.64432
6520.0000 -51.36164 -49.27053 2.09111 2.00797 -49.13457 685.38495
6525.0000 -51.86207 -49.95125 1.91082 1.93332 -49.72066 608.03001
6530.0000 -51.24855 -49.72130 1.52724 1.92903 -49.75433 619.14443
6535.0000 -51.57840 -49.96878 1.60962 1.92166 -49.81227 570.08853
6540.0000 -51.39242 -49.86782 1.52460 1.88923 -50.06685 556.50020
6545.0000 -51.20937 -49.14341 2.06596 1.97123 -49.42300 638.84406
6550.0000 -52.01314 -50.08060 1.93254 1.94188 -49.65348 619.91845
6555.0000 -52.30166 -50.73646 1.56521 1.85173 -50.36127 515.80445
6560.0000 -51.65421 -50.43638 1.21783 1.89405 -50.02903 589.89682
6565.0000 -51.62261 -49.89395 1.72865 1.87344 -50.19083 559.11832
6570.0000 -52.18690 -50.33514 1.85176 1.91562 -49.85968 634.22713
6575.0000 -51.67510 -49.96750 1.70759 1.86142 -50.28523 546.02025
6580.0000 -52.02777 -49.82167 2.20610 1.90259 -49.96193 629.79574
6585.0000 -52.01766 -50.71463 1.30303 1.89853 -49.99385 597.50454
6590.0000 -51.98306 -50.23614 1.74692 1.81184 -50.67449 492.87429
6595.0000 -51.94369 -50.24816 1.69553 1.84884 -50.38399 539.69785
6600.0000 -52.27491 -50.75546 1.51945 1.83548 -50.48886 520.56620
6605.0000 -52.21300 -50.06671 2.14629 1.82203 -50.59446 540.60219
6610.0000 -51.87704 -50.27562 1.60142 1.86355 -50.26850 582.38428
6615.0000 -51.73243 -50.44366 1.28876 1.86448 -50.26116 561.39551
6620.0000 -52.03851 -50.57893 1.45958 1.80913 -50.69579 494.38392
6625.0000 -51.90811 -49.47482 2.43330 1.92775 -49.76441 669.21720
6630.0000 -50.90552 -49.26024 1.64528 1.98706 -49.29873 678.13674
6635.0000 -52.01826 -50.27086 1.74740 1.94458 -49.63226 594.69583
6640.0000 -52.22054 -49.80687 2.41367 1.84256 -50.43330 532.68918
6645.0000 -52.09996 -50.32940 1.77057 1.88800 -50.07652 604.94494
6650.0000 -52.02857 -50.67590 1.35267 1.85102 -50.36687 545.04943
6655.0000 -52.21603 -50.69783 1.51820 1.81135 -50.67830 519.56835
6660.0000 -51.85857 -50.37285 1.48572 1.88272 -50.11794 578.34888
6665.0000 -51.57973 -49.48421 2.09551 1.94447 -49.63310 620.12923
6670.0000 -51.68742 -49.70133 1.98608 1.94750 -49.60935 629.84890
6675.0000 -51.97419 -50.33876 1.63543 1.90674 -49.92937 594.03974
6680.0000 -51.62678 -50.03659 1.59019 1.89731 -50.00343 591.25280
6685.0000 -51.83669 -50.06999 1.76671 1.92504 -49.78573 609.94793
6690.0000 -51.54323 -49.96927 1.57397 1.93026 -49.74474 607.36346
6695.0000 -52.07401 -49.99896 2.07505 1.92231 -49.80712 619.91852
6700.0000 -51.82777 -49.73088 2.09688 1.93053 -49.74257 669.75207
6705.0000 -51.17295 -48.94428 2.22867 1.95972 -49.51342 663.61408
6710.0000 -51.60987 -49.95176 1.65812 1.99154 -49.26355 656.35983
6715.0000 -51.47020 -49.93672 1.53348 1.91357 -49.87576 641.27809
6720.0000 -51.75785 -49.24968 2.50817 1.92759 -49.76565 634.40051
6725.0000 -51.69544 -50.00054 1.69491 1.91747 -49.84513 607.54408
6730.0000 -51.37323 -49.65933 1.71390 1.89328 -50.03503 615.68743
6735.0000 -51.67571 -50.09329 1.58243 1.92057 -49.82080 662.15838
6740.0000 -51.52324 -49.38497 2.13827 1.94108 -49.65976 673.98316
6745.0000 -51.03616 -49.20694 1.82922 1.99553 -49.23225 702.31701
6750.0000 -51.59813 -49.43379 2.16434 1.99902 -49.20483 708.66265
FREEZING PROCESS: loop number 28 T-loop= 576.00000000000000
main_MD> interactions number 28 at Temperature= 576.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96941 4.58494 -4.35974
force_rgl> df(natom) 0.69224 0.78845 0.05652
6755.0000 -51.43471 -49.53276 1.90194 1.95887 -49.52009 624.79054
6760.0000 -51.40868 -49.26075 2.14793 1.93790 -49.68472 646.84396
6765.0000 -51.87430 -50.41749 1.45680 1.88698 -50.08452 579.44104
6770.0000 -51.39384 -49.96565 1.42820 1.86452 -50.26087 521.23324
6775.0000 -51.94123 -50.37375 1.56749 1.85759 -50.31526 562.76630
6780.0000 -51.93019 -50.38570 1.54449 1.83897 -50.46146 545.01194
6785.0000 -52.28297 -50.41141 1.87156 1.88419 -50.10645 582.42464
6790.0000 -52.05728 -50.48678 1.57050 1.85217 -50.35780 543.40662
6795.0000 -52.02178 -50.29249 1.72929 1.85623 -50.32597 545.02370
6800.0000 -50.63764 -48.95001 1.68763 1.93074 -49.74097 632.35799
6805.0000 -50.84076 -48.89001 1.95074 2.01586 -49.07266 664.80461
6810.0000 -51.87464 -50.16836 1.70628 1.95849 -49.52303 643.31292
6815.0000 -51.70093 -50.14915 1.55178 1.90019 -49.98076 627.98761
6820.0000 -52.17718 -50.57159 1.60559 1.88352 -50.11166 557.68604
6825.0000 -51.66538 -50.08378 1.58161 1.89997 -49.98252 588.23936
6830.0000 -52.09515 -50.21692 1.87824 1.89034 -50.05814 601.11665
6835.0000 -51.53994 -50.29756 1.24237 1.82624 -50.56138 538.28776
6840.0000 -52.20736 -50.49859 1.70877 1.85529 -50.33329 587.29018
6845.0000 -51.55550 -49.71893 1.83658 1.88431 -50.10552 597.03607
6850.0000 -51.87971 -49.55217 2.32755 1.96938 -49.43753 661.82116
6855.0000 -51.86759 -50.72642 1.14117 1.89687 -50.00691 601.92175
6860.0000 -51.74392 -50.42684 1.31708 1.82084 -50.60385 514.71027
6865.0000 -52.01813 -50.55398 1.46415 1.81847 -50.62242 493.64555
6870.0000 -51.77170 -50.10158 1.67012 1.85180 -50.36072 553.92916
6875.0000 -52.19107 -50.66604 1.52503 1.79919 -50.77383 512.44678
6880.0000 -51.97864 -50.33530 1.64334 1.85108 -50.36639 558.56507
6885.0000 -52.48467 -51.01835 1.46632 1.80615 -50.71914 490.81704
6890.0000 -52.23884 -50.68812 1.55072 1.79589 -50.79972 483.98196
6895.0000 -51.61906 -49.93897 1.68009 1.84726 -50.39635 547.39319
6900.0000 -51.21350 -49.18686 2.02664 1.98858 -49.28680 688.59311
6905.0000 -51.70880 -49.73861 1.97019 1.96067 -49.50599 669.22891
6910.0000 -51.56515 -50.03559 1.52956 1.92094 -49.81787 634.03982
6915.0000 -51.97594 -50.22521 1.75074 1.88871 -50.07096 560.52336
6920.0000 -51.32845 -49.39594 1.93251 1.93717 -49.69048 626.93225
6925.0000 -51.61041 -49.62161 1.98880 1.97585 -49.38674 643.43147
6930.0000 -51.99299 -50.22630 1.76669 1.89881 -49.99164 593.42021
6935.0000 -52.39551 -50.51159 1.88392 1.86851 -50.22951 571.98920
6940.0000 -52.01970 -50.30860 1.71110 1.87753 -50.15874 572.42566
6945.0000 -51.24291 -49.62759 1.61532 1.95500 -49.55047 639.40838
6950.0000 -51.63369 -50.23180 1.40189 1.88370 -50.11029 541.15000
6955.0000 -51.62075 -49.98467 1.63607 1.94389 -49.63768 625.86640
6960.0000 -52.18750 -50.46858 1.71891 1.88430 -50.10556 554.41992
6965.0000 -52.07063 -50.60117 1.46947 1.86456 -50.26059 577.88116
6970.0000 -52.54590 -51.23038 1.31552 1.77793 -50.94070 466.53862
6975.0000 -52.24596 -51.01009 1.23588 1.77504 -50.96341 434.59520
6980.0000 -52.13972 -50.70994 1.42978 1.80824 -50.70277 465.66117
6985.0000 -52.18127 -50.37132 1.80995 1.82325 -50.58489 479.02584
6990.0000 -51.93397 -50.31854 1.61543 1.88153 -50.12734 535.38212
6995.0000 -52.06340 -50.59016 1.47324 1.87489 -50.17945 587.91551
7000.0000 -52.04161 -50.51439 1.52721 1.80180 -50.75331 474.64628
FREEZING PROCESS: loop number 29 T-loop= 551.00000000000000
main_MD> interactions number 29 at Temperature= 551.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06101 -0.91556 3.88625
force_rgl> df(natom) 2.36713 5.11332 -0.84827
7005.0000 -51.77380 -50.30286 1.47095 1.85196 -50.35947 550.18593
7010.0000 -51.57922 -50.33807 1.24115 1.81860 -50.62139 521.11568
7015.0000 -52.17223 -50.20305 1.96918 1.84269 -50.43226 552.49171
7020.0000 -51.80967 -49.69086 2.11881 1.87700 -50.16284 587.55821
7025.0000 -51.62480 -50.07560 1.54920 1.89514 -50.02047 614.20545
7030.0000 -52.08935 -50.17727 1.91208 1.87922 -50.14542 571.41264
7035.0000 -51.45182 -50.13072 1.32111 1.87409 -50.18570 515.99031
7040.0000 -51.22573 -50.26834 0.95738 1.86524 -50.25520 494.62312
7045.0000 -51.81716 -50.08006 1.73710 1.89592 -50.01435 627.19806
7050.0000 -52.36744 -51.12356 1.24389 1.81054 -50.68470 522.13242
7055.0000 -51.57425 -50.50846 1.06579 1.82699 -50.55555 550.82809
7060.0000 -52.16097 -50.24601 1.91496 1.83637 -50.48185 557.09293
7065.0000 -51.72621 -50.52860 1.19761 1.85250 -50.35523 543.76911
7070.0000 -51.58543 -50.16378 1.42165 1.86719 -50.23991 545.94496
7075.0000 -51.64843 -50.20885 1.43958 1.86271 -50.27508 563.95182
7080.0000 -52.07375 -50.75081 1.32294 1.84203 -50.43744 522.73219
7085.0000 -51.98441 -50.38404 1.60038 1.81971 -50.61272 502.91052
7090.0000 -52.00970 -50.35905 1.65065 1.83815 -50.46790 541.97462
7095.0000 -52.12828 -50.44984 1.67843 1.86608 -50.24860 592.85632
7100.0000 -51.95943 -49.90978 2.04965 1.88778 -50.07822 601.09709
7105.0000 -51.28716 -50.45595 0.83121 1.90454 -49.94663 598.20688
7110.0000 -52.05441 -50.74512 1.30929 1.84466 -50.41677 537.46729
7115.0000 -51.42332 -49.51873 1.90459 1.92015 -49.82405 600.85690
7120.0000 -51.66866 -49.32010 2.34856 1.99430 -49.24194 663.69346
7125.0000 -51.83186 -49.79906 2.03280 1.97801 -49.36979 701.35290
7130.0000 -50.91238 -49.16878 1.74361 1.95206 -49.57359 666.91732
7135.0000 -51.79240 -50.29778 1.49462 1.91931 -49.83069 618.05925
7140.0000 -52.10033 -50.26141 1.83892 1.85179 -50.36082 531.77299
7145.0000 -51.75751 -50.47410 1.28342 1.86256 -50.27626 541.00202
7150.0000 -52.37066 -50.64600 1.72466 1.82416 -50.57777 506.42443
7155.0000 -51.63559 -49.57561 2.05998 1.90301 -49.95864 604.85557
7160.0000 -51.21461 -49.76647 1.44814 1.92064 -49.82022 604.60958
7165.0000 -51.49362 -49.74896 1.74466 1.94765 -49.60820 635.70446
7170.0000 -51.90156 -50.20363 1.69793 1.93631 -49.69724 624.09203
7175.0000 -51.81978 -49.83213 1.98765 1.90051 -49.97830 601.29442
7180.0000 -51.71650 -50.46952 1.24699 1.88460 -50.10320 584.78189
7185.0000 -52.58914 -51.12111 1.46803 1.79198 -50.83040 461.66056
7190.0000 -51.57776 -49.84516 1.73260 1.80220 -50.75014 490.56093
7195.0000 -51.61348 -49.61053 2.00295 1.90869 -49.91403 599.99110
7200.0000 -51.83600 -50.19592 1.64008 1.93914 -49.67498 637.38957
7205.0000 -52.04871 -50.39144 1.65726 1.86295 -50.27320 550.61428
7210.0000 -51.45121 -49.83240 1.61881 1.92808 -49.76179 603.00782
7215.0000 -52.11684 -50.67415 1.44269 1.85600 -50.32775 497.79317
7220.0000 -51.98019 -50.49758 1.48261 1.83291 -50.50903 529.70481
7225.0000 -52.07410 -50.50546 1.56864 1.82737 -50.55251 516.22225
7230.0000 -52.04648 -50.23352 1.81296 1.84313 -50.42877 527.61230
7235.0000 -51.67257 -50.47952 1.19305 1.85443 -50.34005 560.33761
7240.0000 -51.78531 -50.22399 1.56132 1.82949 -50.53592 518.66383
7245.0000 -51.76661 -50.54101 1.22560 1.80728 -50.71025 508.70899
7250.0000 -51.86559 -50.62151 1.24408 1.85769 -50.31447 543.90727
FREEZING PROCESS: loop number 30 T-loop= 526.00000000000000
main_MD> interactions number 30 at Temperature= 526.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02501 0.94131 -1.43545
force_rgl> df(natom) 0.95698 -0.48771 1.68024
7255.0000 -51.77383 -50.20757 1.56625 1.85450 -50.33951 542.52223
7260.0000 -52.02780 -50.77323 1.25457 1.82800 -50.54757 524.43942
7265.0000 -51.83658 -50.11918 1.71739 1.83056 -50.52746 520.16989
7270.0000 -51.74249 -50.05831 1.68417 1.88161 -50.12669 580.64642
7275.0000 -50.80229 -48.82952 1.97278 1.96003 -49.51100 640.47553
7280.0000 -51.41249 -49.79787 1.61462 1.96192 -49.49613 597.72632
7285.0000 -51.12285 -49.49696 1.62588 1.93715 -49.69058 614.57701
7290.0000 -51.59289 -50.07791 1.51498 1.89098 -50.05308 534.43647
7295.0000 -51.36903 -49.49272 1.87630 1.93941 -49.67290 634.05314
7300.0000 -52.54887 -50.95930 1.58957 1.86633 -50.24666 558.68455
7305.0000 -52.14069 -50.96896 1.17173 1.77378 -50.97329 478.65306
7310.0000 -52.42251 -51.15698 1.26553 1.75501 -51.12070 430.83277
7315.0000 -52.05452 -50.48377 1.57075 1.78804 -50.86131 474.80445
7320.0000 -51.63034 -49.16489 2.46544 1.85825 -50.31013 580.52263
7325.0000 -51.56041 -49.52159 2.03882 1.96444 -49.47639 663.49954
7330.0000 -51.65469 -50.50483 1.14986 1.84940 -50.37956 556.42852
7335.0000 -51.45558 -50.14778 1.30780 1.83406 -50.50001 523.42083
7340.0000 -52.24744 -51.26859 0.97885 1.81103 -50.68085 467.32446
7345.0000 -52.41031 -51.23807 1.17224 1.76241 -51.06258 429.67835
7350.0000 -52.20825 -50.74745 1.46080 1.77108 -50.99447 434.35487
7355.0000 -52.07541 -50.69357 1.38183 1.80284 -50.74517 474.74647
7360.0000 -52.39294 -51.05748 1.33546 1.77452 -50.96753 438.18403
7365.0000 -52.30551 -50.60633 1.69919 1.79718 -50.78961 495.28957
7370.0000 -52.15234 -50.80994 1.34240 1.82522 -50.56942 522.93880
7375.0000 -52.25223 -50.78848 1.46375 1.81562 -50.64480 536.26832
7380.0000 -51.60744 -50.41694 1.19050 1.81038 -50.68596 499.57825
7385.0000 -52.16374 -50.29578 1.86795 1.86901 -50.22557 579.80036
7390.0000 -52.18557 -50.69884 1.48673 1.83495 -50.49302 500.03618
7395.0000 -52.17786 -50.51889 1.65897 1.78933 -50.85123 459.41781
7400.0000 -52.48316 -51.17762 1.30554 1.77066 -50.99781 459.26087
7405.0000 -52.32093 -50.62607 1.69485 1.79252 -50.82619 490.43812
7410.0000 -52.03365 -50.67138 1.36227 1.78816 -50.86042 475.03827
7415.0000 -51.50072 -50.17011 1.33062 1.82946 -50.53617 527.96638
7420.0000 -52.23918 -50.66041 1.57877 1.83187 -50.51721 480.17346
7425.0000 -52.01028 -50.21287 1.79740 1.84366 -50.42462 542.19610
7430.0000 -52.15150 -50.32646 1.82504 1.84396 -50.42232 539.79976
7435.0000 -52.07457 -50.53579 1.53878 1.83281 -50.50983 519.47634
7440.0000 -51.66767 -50.39593 1.27175 1.82748 -50.55170 506.27727
7445.0000 -52.30051 -50.70373 1.59678 1.79166 -50.83292 464.51608
7450.0000 -51.61300 -50.00933 1.60367 1.87582 -50.17212 560.47192
7455.0000 -51.11230 -49.27859 1.83371 1.89504 -50.02127 570.73358
7460.0000 -52.25656 -50.67130 1.58526 1.86825 -50.23157 580.47390
7465.0000 -52.17108 -50.63496 1.53612 1.84735 -50.39566 552.03256
7470.0000 -52.16133 -51.12749 1.03384 1.78135 -50.91389 488.09671
7475.0000 -52.10159 -50.86310 1.23849 1.78371 -50.89535 477.10194
7480.0000 -51.90021 -50.44145 1.45876 1.80994 -50.68943 502.90950
7485.0000 -51.48682 -50.13793 1.34890 1.86206 -50.28018 551.35152
7490.0000 -51.61196 -49.96091 1.65106 1.90144 -49.97100 567.13463
7495.0000 -51.52362 -50.00282 1.52080 1.89784 -49.99927 614.07483
7500.0000 -51.80419 -49.79131 2.01288 1.84476 -50.41603 533.51516
FREEZING PROCESS: loop number 31 T-loop= 501.00000000000000
main_MD> interactions number 31 at Temperature= 501.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.51520 -1.36377 1.24298
force_rgl> df(natom) -1.41518 0.58604 2.33703
7505.0000 -52.00639 -50.70234 1.30405 1.86126 -50.28643 542.44779
7510.0000 -52.40063 -50.51399 1.88663 1.81829 -50.62386 516.68693
7515.0000 -51.90534 -50.27809 1.62725 1.86747 -50.23770 544.29705
7520.0000 -51.88057 -50.58860 1.29197 1.85340 -50.34818 477.72419
7525.0000 -52.20718 -50.99881 1.20837 1.76676 -51.02843 435.13535
7530.0000 -52.13959 -50.72059 1.41900 1.80111 -50.75871 497.91155
7535.0000 -51.52197 -50.40747 1.11450 1.82027 -50.60831 502.76542
7540.0000 -52.28235 -50.87593 1.40642 1.82185 -50.59590 459.11094
7545.0000 -52.18027 -50.26501 1.91526 1.80195 -50.75216 495.24188
7550.0000 -52.67504 -51.20143 1.47361 1.81893 -50.61882 523.29327
7555.0000 -52.51904 -50.75932 1.75972 1.80223 -50.74989 498.33485
7560.0000 -52.43316 -50.81026 1.62290 1.79504 -50.80639 476.35736
7565.0000 -52.30663 -50.79176 1.51487 1.80360 -50.73920 493.56637
7570.0000 -52.80940 -51.34560 1.46380 1.74470 -51.20161 416.62208
7575.0000 -52.35463 -50.58371 1.77092 1.77502 -50.96356 455.34180
7580.0000 -52.29191 -50.51081 1.78110 1.84384 -50.42320 545.07536
7585.0000 -52.27857 -50.78746 1.49110 1.81558 -50.64515 514.34991
7590.0000 -52.46928 -50.91139 1.55788 1.78238 -50.90576 475.75605
7595.0000 -51.70197 -50.52656 1.17541 1.82523 -50.56932 514.86926
7600.0000 -52.60078 -51.02942 1.57136 1.78011 -50.92357 460.58510
7605.0000 -52.64131 -51.35683 1.28448 1.75830 -51.09485 423.03762
7610.0000 -52.47374 -51.26397 1.20976 1.75064 -51.15500 425.52017
7615.0000 -52.23274 -50.82336 1.40937 1.78046 -50.92086 481.46414
7620.0000 -51.98652 -50.39992 1.58660 1.82171 -50.59695 504.79645
7625.0000 -51.89672 -50.61485 1.28187 1.84988 -50.37577 527.98835
7630.0000 -52.51748 -50.89817 1.61931 1.78208 -50.90817 445.25527
7635.0000 -52.33303 -51.14740 1.18564 1.76772 -51.02088 448.46861
7640.0000 -52.35596 -50.95918 1.39678 1.77602 -50.95568 441.30706
7645.0000 -52.52439 -51.22180 1.30259 1.75224 -51.14240 445.92865
7650.0000 -52.56372 -51.24674 1.31698 1.74985 -51.16121 440.93683
7655.0000 -52.08317 -50.59563 1.48754 1.74138 -51.22770 417.97532
7660.0000 -52.35776 -50.93723 1.42053 1.81031 -50.68652 493.19427
7665.0000 -52.26677 -51.04024 1.22653 1.80618 -50.71890 495.07472
7670.0000 -52.50671 -51.30560 1.20111 1.75271 -51.13870 443.97133
7675.0000 -52.15861 -50.95367 1.20494 1.72566 -51.35115 394.96410
7680.0000 -52.03680 -51.03521 1.00159 1.76199 -51.06586 438.05047
7685.0000 -52.43491 -51.41702 1.01789 1.76432 -51.04760 447.13158
7690.0000 -52.33378 -51.27367 1.06011 1.72619 -51.34694 377.30633
7695.0000 -52.08748 -50.45629 1.63119 1.82316 -50.58557 524.03994
7700.0000 -51.73501 -50.48168 1.25333 1.86612 -50.24826 552.56894
7705.0000 -52.20043 -50.61065 1.58978 1.85355 -50.34697 540.38961
7710.0000 -52.25122 -50.95459 1.29663 1.80765 -50.70739 489.78909
7715.0000 -52.20703 -50.79421 1.41283 1.81445 -50.65402 503.75953
7720.0000 -51.90250 -50.64375 1.25875 1.80539 -50.72511 494.68332
7725.0000 -52.20384 -50.27691 1.92693 1.83278 -50.51006 534.07606
7730.0000 -51.30089 -50.22495 1.07594 1.89593 -50.01422 628.39672
7735.0000 -51.80624 -50.29322 1.51302 1.86322 -50.27107 542.29433
7740.0000 -51.95920 -50.18437 1.77483 1.84121 -50.44385 534.90356
7745.0000 -52.12742 -50.07935 2.04807 1.85834 -50.30935 576.84873
7750.0000 -52.17858 -50.70076 1.47782 1.85509 -50.33487 543.71465
FREEZING PROCESS: loop number 32 T-loop= 476.00000000000000
main_MD> interactions number 32 at Temperature= 476.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66859 3.07748 0.62010
force_rgl> df(natom) -0.13077 -0.10366 0.04135
7755.0000 -51.92321 -50.32515 1.59806 1.80218 -50.75033 489.72574
7760.0000 -51.80896 -50.71030 1.09866 1.81844 -50.62265 525.93652
7765.0000 -52.24277 -50.96666 1.27611 1.84056 -50.44897 519.37544
7770.0000 -52.48962 -51.17246 1.31716 1.74571 -51.19366 422.42762
7775.0000 -51.92436 -50.71642 1.20794 1.77590 -50.95666 488.40153
7780.0000 -52.08398 -50.69810 1.38588 1.80623 -50.71848 486.60176
7785.0000 -52.02759 -50.94586 1.08173 1.79586 -50.79996 479.56019
7790.0000 -52.43424 -50.77743 1.65681 1.79984 -50.76867 473.19418
7795.0000 -52.28701 -50.94320 1.34382 1.75873 -51.09148 455.99111
7800.0000 -51.78446 -50.72987 1.05459 1.75431 -51.12616 431.75102
7805.0000 -52.43386 -50.66736 1.76650 1.84324 -50.42797 541.13520
7810.0000 -52.57171 -51.71116 0.86055 1.76110 -51.07288 439.29308
7815.0000 -52.64227 -51.52347 1.11879 1.70148 -51.54097 361.70795
7820.0000 -52.53972 -51.26888 1.27084 1.71882 -51.40478 388.36926
7825.0000 -52.44447 -51.12630 1.31817 1.72657 -51.34396 393.86028
7830.0000 -52.29464 -51.14670 1.14794 1.73767 -51.25682 406.23320
7835.0000 -52.51141 -51.01239 1.49902 1.75813 -51.09618 443.61599
7840.0000 -52.35189 -50.84781 1.50408 1.77529 -50.96143 456.58681
7845.0000 -52.24797 -50.82976 1.41821 1.78580 -50.87896 468.80366
7850.0000 -52.37767 -50.94440 1.43328 1.79239 -50.82715 500.42850
7855.0000 -51.41748 -49.76931 1.64817 1.85384 -50.34474 521.91519
7860.0000 -51.79724 -50.36147 1.43577 1.85645 -50.32424 477.34129
7865.0000 -51.91746 -50.54385 1.37361 1.83866 -50.46389 531.94192
7870.0000 -51.45723 -50.25329 1.20394 1.85773 -50.31418 549.17157
7875.0000 -52.18461 -50.32006 1.86455 1.84608 -50.40564 536.15805
7880.0000 -51.62828 -50.47984 1.14844 1.84677 -50.40025 495.32105
7885.0000 -52.16680 -50.79461 1.37219 1.86005 -50.29593 529.32074
7890.0000 -52.56758 -51.09337 1.47421 1.77734 -50.94539 473.56290
7895.0000 -51.80799 -50.71510 1.09289 1.76273 -51.06003 456.35890
7900.0000 -52.52554 -51.23271 1.29283 1.82040 -50.60727 538.44483
7905.0000 -52.29294 -51.01097 1.28198 1.76264 -51.06074 453.71419
7910.0000 -52.13843 -50.99779 1.14064 1.78969 -50.84840 492.30106
7915.0000 -52.23606 -51.27420 0.96186 1.76941 -51.00763 461.02722
7920.0000 -52.17680 -50.96924 1.20757 1.76709 -51.02584 459.14793
7925.0000 -52.24952 -51.18060 1.06892 1.80996 -50.68927 476.23242
7930.0000 -52.03946 -50.14826 1.89120 1.78844 -50.85821 462.98183
7935.0000 -51.62463 -50.00379 1.62083 1.86985 -50.21901 578.75946
7940.0000 -52.04423 -50.84875 1.19548 1.86700 -50.24139 568.56362
7945.0000 -52.08171 -50.86155 1.22017 1.78682 -50.87089 462.95887
7950.0000 -51.83246 -50.23259 1.59986 1.80762 -50.70757 483.52727
7955.0000 -52.03495 -50.04490 1.99004 1.89973 -49.98441 602.52221
7960.0000 -52.26567 -51.05974 1.20593 1.82795 -50.54802 506.19371
7965.0000 -51.43365 -50.32848 1.10516 1.79495 -50.80707 493.05353
7970.0000 -52.10776 -50.92937 1.17839 1.76899 -51.01094 434.35038
7975.0000 -52.59320 -51.28506 1.30814 1.72834 -51.33011 399.30230
7980.0000 -52.29888 -50.74279 1.55609 1.78090 -50.91741 468.93256
7985.0000 -52.10437 -51.02575 1.07863 1.81906 -50.61779 506.90261
7990.0000 -52.61238 -51.09057 1.52180 1.74179 -51.22450 418.81600
7995.0000 -52.54220 -50.88243 1.65977 1.77262 -50.98242 438.81581
8000.0000 -52.06643 -51.03374 1.03268 1.78945 -50.85026 487.05739
FREEZING PROCESS: loop number 33 T-loop= 451.00000000000000
main_MD> interactions number 33 at Temperature= 451.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74950 0.12297 -3.33682
force_rgl> df(natom) -0.45502 0.12468 -2.19589
8005.0000 -52.58827 -51.26899 1.31928 1.77394 -50.97204 466.14271
8010.0000 -52.50683 -51.16426 1.34257 1.74065 -51.23341 428.33122
8015.0000 -52.21867 -50.68089 1.53777 1.76062 -51.07662 442.40570
8020.0000 -52.43395 -51.42763 1.00633 1.75980 -51.08307 424.54443
8025.0000 -52.47001 -50.98491 1.48509 1.72846 -51.32913 408.17873
8030.0000 -52.45630 -51.35446 1.10184 1.76968 -51.00551 455.60424
8035.0000 -52.71160 -51.52606 1.18554 1.70044 -51.54910 363.68005
8040.0000 -52.18930 -50.87807 1.31123 1.77030 -51.00061 465.28949
8045.0000 -52.38754 -51.40456 0.98298 1.77143 -50.99174 446.87481
8050.0000 -52.33369 -50.68553 1.64816 1.75635 -51.11014 438.22775
8055.0000 -52.06049 -50.16456 1.89593 1.82693 -50.55603 498.59600
8060.0000 -52.55611 -50.39949 2.15662 1.86522 -50.25540 577.45576
8065.0000 -52.31584 -50.58687 1.72897 1.86841 -50.23030 554.52105
8070.0000 -52.30982 -50.83266 1.47716 1.81746 -50.63031 522.93395
8075.0000 -52.44548 -51.12555 1.31992 1.75311 -51.13559 439.28371
8080.0000 -51.97716 -50.63613 1.34103 1.82048 -50.60661 513.78110
8085.0000 -52.11590 -50.24403 1.87186 1.82597 -50.56350 506.92006
8090.0000 -52.89411 -51.09620 1.79792 1.80704 -50.71220 519.29113
8095.0000 -52.33093 -51.28214 1.04879 1.76113 -51.07263 466.77422
8100.0000 -52.30013 -50.83183 1.46830 1.76434 -51.04738 442.07763
8105.0000 -52.07778 -51.14936 0.92841 1.78111 -50.91574 454.16048
8110.0000 -52.32165 -51.16536 1.15629 1.76951 -51.00683 428.03829
8115.0000 -52.18708 -51.21680 0.97028 1.77690 -50.94883 434.59551
8120.0000 -52.55328 -51.19368 1.35959 1.75410 -51.12782 425.53379
8125.0000 -52.61635 -51.31471 1.30164 1.73377 -51.28747 410.52868
8130.0000 -52.68233 -51.54922 1.13312 1.71206 -51.45790 388.50525
8135.0000 -52.19432 -50.71749 1.47683 1.71276 -51.45239 388.69265
8140.0000 -51.96037 -50.53596 1.42441 1.80869 -50.69923 468.86868
8145.0000 -52.05461 -50.69315 1.36146 1.83686 -50.47802 496.55977
8150.0000 -52.45820 -50.88751 1.57069 1.80833 -50.70207 492.28348
8155.0000 -52.28740 -51.09172 1.19568 1.76926 -51.00880 454.11450
8160.0000 -52.09960 -50.80082 1.29878 1.78342 -50.89759 454.04157
8165.0000 -51.98306 -50.89805 1.08501 1.80355 -50.73955 507.71194
8170.0000 -52.31965 -50.83265 1.48700 1.79142 -50.83480 465.79237
8175.0000 -52.39790 -50.19376 2.20414 1.81333 -50.66281 507.10117
8180.0000 -52.22976 -50.46487 1.76489 1.88881 -50.07018 608.63861
8185.0000 -51.78959 -50.11694 1.67264 1.86208 -50.28000 567.44328
8190.0000 -51.99303 -50.47874 1.51429 1.82038 -50.60743 514.06626
8195.0000 -52.31326 -51.36766 0.94560 1.73531 -51.27534 401.38170
8200.0000 -52.10003 -50.96908 1.13094 1.74966 -51.16267 427.96574
8205.0000 -52.05791 -50.96964 1.08827 1.78682 -50.87095 445.93902
8210.0000 -52.59864 -51.09726 1.50139 1.77867 -50.93489 448.48484
8215.0000 -52.46650 -51.65867 0.80783 1.76284 -51.05921 446.34740
8220.0000 -52.36669 -50.75363 1.61306 1.74495 -51.19968 424.08937
8225.0000 -52.21848 -51.24541 0.97306 1.78981 -50.84745 464.72140
8230.0000 -52.32117 -51.20357 1.11759 1.75703 -51.10479 423.05183
8235.0000 -52.37996 -51.21892 1.16104 1.75001 -51.15990 437.80433
8240.0000 -52.53588 -51.21190 1.32398 1.71917 -51.40203 393.13080
8245.0000 -52.25390 -51.08900 1.16490 1.77254 -50.98307 450.56471
8250.0000 -52.14167 -50.64795 1.49372 1.80256 -50.74738 484.30877
FREEZING PROCESS: loop number 34 T-loop= 426.00000000000000
main_MD> interactions number 34 at Temperature= 426.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.88483 -1.19519 0.15573
force_rgl> df(natom) -1.69542 -2.07083 0.19179
8255.0000 -52.60069 -51.27091 1.32978 1.79217 -50.82888 482.53243
8260.0000 -52.49515 -51.13202 1.36313 1.73490 -51.27853 403.39859
8265.0000 -52.17329 -50.71436 1.45893 1.77916 -50.93109 455.16779
8270.0000 -52.37544 -51.22676 1.14868 1.79836 -50.78032 486.04426
8275.0000 -52.40731 -50.68654 1.72077 1.77621 -50.95420 451.93157
8280.0000 -52.69544 -51.50923 1.18621 1.76547 -51.03854 456.78529
8285.0000 -52.85303 -51.88222 0.97081 1.70258 -51.53236 383.51374
8290.0000 -52.53951 -51.50935 1.03016 1.69978 -51.55433 376.35912
8295.0000 -52.16266 -50.89958 1.26308 1.72849 -51.32893 396.50977
8300.0000 -52.49688 -50.97977 1.51711 1.80799 -50.70470 490.74899
8305.0000 -52.04951 -51.09069 0.95882 1.75547 -51.11703 425.08064
8310.0000 -52.15317 -50.89984 1.25334 1.78026 -50.92244 442.58957
8315.0000 -52.41506 -51.04476 1.37030 1.79657 -50.79439 451.87557
8320.0000 -52.10807 -50.64531 1.46276 1.78911 -50.85291 468.06743
8325.0000 -52.57294 -51.35091 1.22203 1.75857 -51.09269 436.14714
8330.0000 -52.94367 -50.99364 1.95003 1.75028 -51.15782 447.40177
8335.0000 -52.00747 -50.90838 1.09909 1.77492 -50.96434 441.50565
8340.0000 -52.49753 -50.79805 1.69947 1.81997 -50.61067 503.52955
8345.0000 -52.31992 -50.99403 1.32589 1.80973 -50.69107 496.37660
8350.0000 -52.54826 -51.39786 1.15040 1.75737 -51.10215 397.45066
8355.0000 -52.31476 -51.27189 1.04286 1.75933 -51.08679 446.92862
8360.0000 -52.28566 -50.89245 1.39320 1.73508 -51.27716 403.21786
8365.0000 -52.18583 -50.83028 1.35555 1.80926 -50.69476 498.63629
8370.0000 -52.53966 -51.06027 1.47939 1.79492 -50.80731 475.64790
8375.0000 -52.59215 -51.45710 1.13505 1.75922 -51.08765 435.98624
8380.0000 -52.48398 -51.45248 1.03151 1.72520 -51.35470 396.88834
8385.0000 -52.37858 -51.27177 1.10681 1.72737 -51.33772 386.24184
8390.0000 -52.44762 -51.21752 1.23010 1.73074 -51.31119 396.96835
8395.0000 -52.39818 -51.24627 1.15191 1.73024 -51.31513 404.02331
8400.0000 -52.71098 -51.17553 1.53546 1.71892 -51.40404 391.69221
8405.0000 -52.56499 -51.06201 1.50298 1.77234 -50.98460 420.77354
8410.0000 -52.70007 -51.90194 0.79813 1.72462 -51.35929 392.35862
8415.0000 -52.52712 -51.52421 1.00291 1.69285 -51.60868 343.55271
8420.0000 -52.65406 -51.78176 0.87230 1.70224 -51.53498 373.71932
8425.0000 -52.54409 -51.57188 0.97221 1.71436 -51.43984 377.21333
8430.0000 -52.45253 -51.28711 1.16542 1.72291 -51.37270 383.91905
8435.0000 -52.42197 -51.01234 1.40963 1.74815 -51.17450 427.41386
8440.0000 -52.29306 -50.28238 2.01068 1.81359 -50.66075 512.67250
8445.0000 -52.23128 -51.00696 1.22432 1.80820 -50.70308 503.85260
8450.0000 -52.29480 -51.33886 0.95594 1.73855 -51.24994 398.86852
8455.0000 -52.87844 -51.62082 1.25762 1.70519 -51.51182 348.74538
8460.0000 -52.85096 -51.66053 1.19042 1.67868 -51.72000 324.92640
8465.0000 -52.41453 -51.07722 1.33731 1.71260 -51.45363 390.26088
8470.0000 -52.01079 -50.90351 1.10728 1.76115 -51.07249 439.13679
8475.0000 -52.04645 -50.80475 1.24170 1.77600 -50.95584 462.97280
8480.0000 -52.39762 -51.39388 1.00374 1.75463 -51.12362 430.22543
8485.0000 -52.40742 -51.11964 1.28778 1.75304 -51.13616 431.52350
8490.0000 -52.31144 -50.99695 1.31449 1.76738 -51.02357 426.17724
8495.0000 -52.47875 -51.65891 0.81983 1.70680 -51.49919 392.77901
8500.0000 -52.32206 -50.83049 1.49157 1.71769 -51.41366 372.79545
FREEZING PROCESS: loop number 35 T-loop= 401.00000000000000
main_MD> interactions number 35 at Temperature= 401.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.91057 0.18063 1.58324
force_rgl> df(natom) -0.33308 3.18999 0.50889
8505.0000 -52.33098 -51.00554 1.32544 1.77446 -50.96793 436.39774
8510.0000 -52.13436 -50.96159 1.17277 1.76385 -51.05125 440.45367
8515.0000 -52.32084 -51.05431 1.26653 1.76794 -51.01917 431.82138
8520.0000 -52.19117 -50.98723 1.20394 1.76759 -51.02190 441.97164
8525.0000 -52.18038 -51.06463 1.11575 1.77465 -50.96644 436.63250
8530.0000 -52.33864 -51.01457 1.32407 1.75339 -51.13337 394.11132
8535.0000 -52.31183 -51.00175 1.31007 1.80430 -50.73370 486.76841
8540.0000 -52.46842 -51.52637 0.94204 1.75332 -51.13397 437.65649
8545.0000 -52.91107 -51.97629 0.93478 1.67578 -51.74274 342.14247
8550.0000 -52.50290 -51.55557 0.94732 1.67410 -51.75594 329.74144
8555.0000 -52.47076 -50.96934 1.50143 1.71506 -51.43437 390.23674
8560.0000 -52.25897 -51.34085 0.91812 1.74843 -51.17236 429.02780
8565.0000 -52.70749 -51.29635 1.41113 1.74521 -51.19761 409.10326
8570.0000 -52.64834 -51.50239 1.14595 1.72959 -51.32027 399.53480
8575.0000 -52.66652 -51.55381 1.11271 1.68412 -51.67724 344.77351
8580.0000 -52.79394 -52.07279 0.72115 1.67670 -51.73549 327.95695
8585.0000 -52.82076 -51.78958 1.03119 1.67546 -51.74529 343.50767
8590.0000 -52.66442 -51.78193 0.88249 1.66765 -51.80657 326.32867
8595.0000 -52.36989 -51.18085 1.18904 1.71211 -51.45748 385.06002
8600.0000 -52.44572 -51.47102 0.97470 1.72632 -51.34590 389.23570
8605.0000 -52.60746 -51.12491 1.48255 1.73675 -51.26406 418.72313
8610.0000 -52.53062 -51.47125 1.05937 1.71689 -51.41995 381.89002
8615.0000 -52.25903 -51.24026 1.01877 1.71757 -51.41464 380.17692
8620.0000 -52.62881 -51.58730 1.04151 1.71497 -51.43501 387.18436
8625.0000 -52.76688 -52.17206 0.59482 1.65976 -51.86852 308.24935
8630.0000 -52.32548 -51.37111 0.95437 1.68530 -51.66800 343.55527
8635.0000 -52.23753 -51.43023 0.80730 1.70194 -51.53736 376.13945
8640.0000 -52.57158 -51.52120 1.05038 1.71350 -51.44660 376.98547
8645.0000 -52.67193 -51.72763 0.94430 1.69515 -51.59067 361.13262
8650.0000 -52.54337 -51.31463 1.22874 1.71026 -51.47201 378.22355
8655.0000 -52.22239 -51.07171 1.15068 1.72553 -51.35216 391.12391
8660.0000 -52.58632 -51.10132 1.48500 1.76199 -51.06586 450.32374
8665.0000 -51.94425 -50.64959 1.29466 1.77824 -50.93832 460.26586
8670.0000 -52.65054 -51.17536 1.47519 1.79720 -50.78945 498.88789
8675.0000 -52.45328 -50.72801 1.72528 1.76112 -51.07268 456.08606
8680.0000 -52.53234 -51.45311 1.07923 1.73948 -51.24263 414.94821
8685.0000 -52.58788 -51.27438 1.31350 1.71039 -51.47097 371.43991
8690.0000 -52.44192 -51.51793 0.92398 1.73465 -51.28052 419.36587
8695.0000 -52.73865 -51.71924 1.01941 1.69182 -51.61683 352.71751
8700.0000 -52.78962 -51.51309 1.27653 1.69347 -51.60385 347.29281
8705.0000 -52.68080 -51.36452 1.31627 1.72735 -51.33783 399.57974
8710.0000 -52.88268 -51.76322 1.11946 1.71250 -51.45443 369.47750
8715.0000 -52.42730 -51.56155 0.86575 1.68685 -51.65585 344.66309
8720.0000 -52.92674 -51.84171 1.08503 1.68946 -51.63529 351.00714
8725.0000 -52.48560 -51.37502 1.11058 1.70410 -51.52038 368.64720
8730.0000 -52.00234 -51.09012 0.91222 1.73757 -51.25756 406.82215
8735.0000 -52.51703 -51.10040 1.41663 1.76540 -51.03913 446.38050
8740.0000 -52.34707 -51.15224 1.19483 1.75204 -51.14402 428.70975
8745.0000 -52.22914 -50.93071 1.29844 1.75196 -51.14461 439.11241
8750.0000 -52.49648 -50.94727 1.54920 1.78519 -50.88373 468.07261
FREEZING PROCESS: loop number 36 T-loop= 376.00000000000000
main_MD> interactions number 36 at Temperature= 376.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47280 -0.12076 -0.37421
force_rgl> df(natom) 1.03085 2.42084 -0.40077
8755.0000 -52.56810 -51.39984 1.16825 1.75443 -51.12522 413.40845
8760.0000 -52.43195 -51.10553 1.32643 1.72357 -51.36753 377.52643
8765.0000 -52.19465 -50.88280 1.31185 1.76976 -51.00484 437.90837
8770.0000 -52.43379 -51.44379 0.99001 1.74543 -51.19592 425.69812
8775.0000 -52.51154 -51.54410 0.96744 1.69829 -51.56600 363.22173
8780.0000 -52.57537 -51.49703 1.07834 1.69561 -51.58705 361.08643
8785.0000 -52.28039 -51.10539 1.17500 1.74466 -51.20193 447.27550
8790.0000 -52.75040 -52.03729 0.71311 1.69664 -51.57893 356.77218
8795.0000 -52.72097 -51.60458 1.11638 1.69437 -51.59681 354.49968
8800.0000 -52.38371 -51.46285 0.92085 1.70508 -51.51268 360.41513
8805.0000 -52.65840 -51.40019 1.25821 1.73034 -51.31434 394.70226
8810.0000 -52.42263 -51.39490 1.02773 1.71288 -51.45143 386.40740
8815.0000 -52.63013 -51.58408 1.04605 1.69363 -51.60258 352.03875
8820.0000 -52.45721 -51.63655 0.82065 1.69621 -51.58234 326.24171
8825.0000 -52.11901 -51.28201 0.83700 1.71774 -51.41326 348.38034
8830.0000 -52.32789 -51.19076 1.13713 1.74013 -51.23748 397.54615
8835.0000 -52.84146 -51.74280 1.09866 1.70921 -51.48025 384.97164
8840.0000 -52.49809 -51.42053 1.07755 1.68915 -51.63779 348.78529
8845.0000 -52.97310 -51.64877 1.32433 1.69174 -51.61745 359.59854
8850.0000 -52.30770 -51.45958 0.84812 1.69082 -51.62463 335.99373
8855.0000 -52.64645 -51.63826 1.00819 1.70624 -51.50360 357.53751
8860.0000 -52.74283 -51.50728 1.23554 1.70290 -51.52982 356.63192
8865.0000 -52.48533 -51.62799 0.85734 1.68183 -51.69526 326.52445
8870.0000 -52.52332 -51.51145 1.01187 1.69726 -51.57410 358.42295
8875.0000 -52.53956 -51.42708 1.11248 1.72528 -51.35406 392.75622
8880.0000 -52.53411 -51.64919 0.88492 1.69534 -51.58918 347.80213
8885.0000 -52.64568 -51.87705 0.76863 1.67952 -51.71338 337.51383
8890.0000 -52.72952 -51.71436 1.01516 1.66411 -51.83433 318.51485
8895.0000 -52.51907 -51.54769 0.97139 1.68708 -51.65402 352.17561
8900.0000 -52.73185 -51.74402 0.98783 1.69590 -51.58477 349.92149
8905.0000 -52.22522 -51.08756 1.13767 1.72221 -51.37820 385.17597
8910.0000 -52.59332 -51.31081 1.28251 1.74699 -51.18365 394.90921
8915.0000 -52.78086 -51.67798 1.10289 1.70176 -51.53879 370.64557
8920.0000 -52.54745 -51.60874 0.93871 1.68441 -51.67502 347.08717
8925.0000 -52.43783 -51.49896 0.93887 1.69136 -51.62038 343.47335
8930.0000 -52.61984 -51.32936 1.29048 1.71068 -51.46872 372.85961
8935.0000 -52.46256 -51.11135 1.35121 1.73573 -51.27202 424.21975
8940.0000 -52.54292 -51.15227 1.39065 1.74540 -51.19611 407.62476
8945.0000 -52.69388 -51.72436 0.96952 1.75909 -51.08860 432.07718
8950.0000 -52.55160 -51.59752 0.95408 1.67845 -51.72181 338.92689
8955.0000 -52.48024 -51.34775 1.13249 1.70778 -51.49146 384.49325
8960.0000 -52.76172 -51.73823 1.02349 1.68895 -51.63935 352.56540
8965.0000 -52.82474 -51.63283 1.19192 1.68831 -51.64440 342.06894
8970.0000 -52.42308 -51.44456 0.97852 1.71746 -51.41547 393.18549
8975.0000 -52.50270 -51.65190 0.85080 1.69174 -51.61739 354.11663
8980.0000 -52.70308 -51.89055 0.81253 1.66591 -51.82023 317.56367
8985.0000 -52.50124 -51.32687 1.17437 1.71751 -51.41507 385.33212
8990.0000 -52.17033 -51.22449 0.94584 1.71413 -51.44167 363.56599
8995.0000 -52.45868 -51.22261 1.23607 1.73657 -51.26542 393.92685
9000.0000 -52.28744 -51.20209 1.08535 1.71159 -51.46162 363.84162
FREEZING PROCESS: loop number 37 T-loop= 351.00000000000000
main_MD> interactions number 37 at Temperature= 351.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62105 0.53473 -0.21646
force_rgl> df(natom) -0.18280 -0.12253 -2.36928
9005.0000 -52.61839 -51.59096 1.02743 1.73466 -51.28048 415.09695
9010.0000 -52.51957 -51.38120 1.13837 1.71702 -51.41896 399.70194
9015.0000 -52.13681 -51.37269 0.76412 1.72249 -51.37603 384.50067
9020.0000 -52.22614 -51.00378 1.22236 1.71673 -51.42121 365.03172
9025.0000 -52.56559 -51.38685 1.17874 1.73498 -51.27790 390.74581
9030.0000 -52.26470 -50.98828 1.27642 1.75838 -51.09424 413.14290
9035.0000 -52.53562 -51.24168 1.29394 1.74284 -51.21620 401.34875
9040.0000 -52.64404 -51.33795 1.30609 1.72329 -51.36973 379.03594
9045.0000 -52.61752 -51.16246 1.45505 1.73765 -51.25697 389.41642
9050.0000 -52.99209 -51.83675 1.15534 1.68707 -51.65408 347.25047
9055.0000 -52.79697 -51.75840 1.03857 1.67506 -51.74838 330.87494
9060.0000 -52.70162 -51.83262 0.86899 1.70056 -51.54821 373.57685
9065.0000 -52.53583 -51.39977 1.13606 1.67662 -51.73618 335.13903
9070.0000 -52.58202 -51.54517 1.03685 1.72687 -51.34159 392.94804
9075.0000 -52.59624 -51.75117 0.84507 1.69819 -51.56683 359.75548
9080.0000 -52.67847 -51.85849 0.81998 1.67204 -51.77209 326.05175
9085.0000 -52.98354 -51.99992 0.98362 1.65801 -51.88230 313.04535
9090.0000 -52.94356 -51.91424 1.02933 1.67055 -51.78381 322.78599
9095.0000 -52.81048 -51.75423 1.05626 1.65403 -51.91347 303.21351
9100.0000 -52.40858 -51.04852 1.36007 1.72016 -51.39427 382.49657
9105.0000 -52.19814 -51.17912 1.01903 1.75561 -51.11599 418.29564
9110.0000 -52.77977 -51.59048 1.18929 1.70704 -51.49731 372.23659
9115.0000 -52.39897 -51.36191 1.03707 1.70168 -51.53942 372.53935
9120.0000 -52.21190 -51.40513 0.80677 1.71076 -51.46809 346.36646
9125.0000 -52.29529 -51.48693 0.80836 1.71874 -51.40546 362.87752
9130.0000 -52.27336 -51.16754 1.10582 1.71840 -51.40808 392.75942
9135.0000 -52.42703 -51.63288 0.79414 1.70942 -51.47860 373.14472
9140.0000 -52.45793 -51.15634 1.30160 1.74184 -51.22405 405.16396
9145.0000 -52.44377 -51.68554 0.75822 1.70689 -51.49847 362.31281
9150.0000 -52.79665 -51.63769 1.15896 1.67403 -51.75646 324.14788
9155.0000 -52.50312 -51.77856 0.72456 1.69318 -51.60610 361.47938
9160.0000 -52.26720 -51.11234 1.15486 1.70418 -51.51978 369.64499
9165.0000 -52.32477 -51.17766 1.14711 1.73784 -51.25550 396.00822
9170.0000 -52.50369 -51.44079 1.06290 1.72802 -51.33254 380.35900
9175.0000 -52.91714 -51.78893 1.12820 1.68757 -51.65018 352.57490
9180.0000 -52.69490 -51.35015 1.34476 1.68814 -51.64567 334.58359
9185.0000 -52.47097 -51.49668 0.97429 1.70347 -51.52536 364.97932
9190.0000 -52.70711 -51.67131 1.03580 1.69091 -51.62392 361.11275
9195.0000 -52.90826 -51.95701 0.95125 1.66846 -51.80020 321.28552
9200.0000 -52.80585 -52.08264 0.72321 1.64566 -51.97922 294.12580
9205.0000 -52.95504 -51.87922 1.07582 1.65438 -51.91072 306.15442
9210.0000 -52.96681 -51.79560 1.17122 1.65102 -51.93711 307.76863
9215.0000 -52.31345 -51.50955 0.80389 1.68335 -51.68330 347.06174
9220.0000 -52.69328 -51.31291 1.38038 1.73225 -51.29937 396.55140
9225.0000 -52.48760 -51.37115 1.11646 1.71828 -51.40903 384.26757
9230.0000 -51.57750 -50.62521 0.95228 1.74731 -51.18115 414.12159
9235.0000 -52.12150 -50.79096 1.33054 1.80631 -50.71792 476.43679
9240.0000 -52.54255 -51.42984 1.11270 1.74930 -51.16550 411.32809
9245.0000 -52.32148 -51.44018 0.88130 1.71733 -51.41655 372.39790
9250.0000 -52.41788 -51.18290 1.23498 1.73034 -51.31434 383.65701
FREEZING PROCESS: loop number 38 T-loop= 326.00000000000000
main_MD> interactions number 38 at Temperature= 326.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.38184 0.37472 -2.82199
force_rgl> df(natom) -0.65962 1.56155 -1.37523
9255.0000 -52.85145 -51.85718 0.99428 1.69869 -51.56287 359.36869
9260.0000 -52.55572 -51.68850 0.86722 1.66353 -51.83896 322.99245
9265.0000 -52.81649 -51.49749 1.31900 1.67223 -51.77059 327.80052
9270.0000 -52.71688 -51.56460 1.15228 1.69645 -51.58047 369.34836
9275.0000 -52.25861 -51.33557 0.92304 1.72637 -51.34553 413.35367
9280.0000 -52.25498 -51.46197 0.79301 1.71907 -51.40283 393.48831
9285.0000 -52.53787 -51.51567 1.02220 1.68362 -51.68119 329.94572
9290.0000 -52.65657 -51.89282 0.76375 1.68224 -51.69202 336.98044
9295.0000 -52.62499 -51.52905 1.09594 1.68109 -51.70107 332.22253
9300.0000 -52.30802 -51.12105 1.18697 1.69592 -51.58463 355.08136
9305.0000 -52.92253 -52.10787 0.81467 1.69144 -51.61976 352.11910
9310.0000 -52.83638 -51.95552 0.88086 1.64740 -51.96553 295.51120
9315.0000 -52.88952 -52.09697 0.79255 1.64386 -51.99334 286.37024
9320.0000 -52.84355 -51.73507 1.10848 1.66723 -51.80986 326.67453
9325.0000 -52.81428 -51.82577 0.98851 1.66112 -51.85781 313.94299
9330.0000 -52.72216 -51.61167 1.11049 1.69003 -51.63088 346.43082
9335.0000 -52.75589 -51.90519 0.85070 1.67105 -51.77990 319.95868
9340.0000 -52.66669 -51.65891 1.00779 1.66799 -51.80394 321.10958
9345.0000 -52.70079 -51.70282 0.99797 1.63838 -52.03636 280.51473
9350.0000 -52.03817 -51.26730 0.77086 1.73802 -51.25406 402.19001
9355.0000 -52.45768 -51.54038 0.91730 1.71840 -51.40811 366.31250
9360.0000 -52.47051 -51.67106 0.79945 1.67375 -51.75868 326.03623
9365.0000 -52.40973 -51.68017 0.72956 1.68337 -51.68319 334.24195
9370.0000 -52.40679 -51.34010 1.06669 1.70915 -51.48073 383.66045
9375.0000 -52.72908 -51.85086 0.87821 1.68613 -51.66150 335.29538
9380.0000 -52.91435 -52.26148 0.65287 1.63517 -52.06162 277.37216
9385.0000 -52.70168 -51.92317 0.77852 1.63536 -52.06006 280.43007
9390.0000 -52.96279 -52.02412 0.93867 1.63882 -52.03294 282.79974
9395.0000 -52.51936 -51.71105 0.80831 1.66468 -51.82986 324.98715
9400.0000 -52.75892 -51.94142 0.81750 1.67257 -51.76796 326.10467
9405.0000 -52.54963 -51.81150 0.73813 1.67033 -51.78551 314.37268
9410.0000 -52.49173 -51.70081 0.79092 1.67328 -51.76237 338.49403
9415.0000 -52.81406 -51.77500 1.03906 1.65778 -51.88406 314.09414
9420.0000 -52.75476 -51.82724 0.92752 1.65854 -51.87811 304.61583
9425.0000 -52.45804 -51.62699 0.83105 1.68301 -51.68600 330.30630
9430.0000 -52.78355 -51.78978 0.99377 1.68953 -51.63478 345.52631
9435.0000 -52.51976 -51.63408 0.88568 1.67727 -51.73105 324.68122
9440.0000 -52.77846 -51.83910 0.93936 1.68745 -51.65112 350.09314
9445.0000 -52.81990 -51.99616 0.82375 1.63271 -52.08094 275.48095
9450.0000 -52.61523 -51.81986 0.79537 1.67278 -51.76630 329.04574
9455.0000 -52.47440 -51.60746 0.86694 1.67719 -51.73171 328.07091
9460.0000 -52.69096 -51.70412 0.98684 1.69985 -51.55374 355.70520
9465.0000 -52.64060 -51.81145 0.82916 1.67702 -51.73303 343.55401
9470.0000 -52.62899 -51.88735 0.74164 1.68491 -51.67108 343.06416
9475.0000 -52.76913 -51.85636 0.91277 1.64567 -51.97913 291.93063
9480.0000 -52.74582 -51.97729 0.76853 1.66649 -51.81571 323.13895
9485.0000 -52.61015 -51.54280 1.06734 1.64778 -51.96261 315.39534
9490.0000 -52.53044 -51.55593 0.97451 1.69870 -51.56276 370.31674
9495.0000 -52.51948 -51.55066 0.96882 1.72017 -51.39423 385.94494
9500.0000 -52.78893 -51.90462 0.88431 1.65416 -51.91250 296.90290
FREEZING PROCESS: loop number 39 T-loop= 301.00000000000000
main_MD> interactions number 39 at Temperature= 301.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46878 1.39441 -0.74924
force_rgl> df(natom) -1.31630 0.07356 1.59258
9505.0000 -52.82977 -51.97928 0.85049 1.66047 -51.86297 317.40944
9510.0000 -52.87039 -52.06623 0.80416 1.63619 -52.05354 277.30831
9515.0000 -52.71065 -51.87118 0.83947 1.66932 -51.79345 308.10559
9520.0000 -52.67462 -51.99996 0.67467 1.66027 -51.86451 308.64847
9525.0000 -52.86860 -52.14732 0.72128 1.64903 -51.95279 291.57186
9530.0000 -52.78633 -52.14226 0.64407 1.64367 -51.99486 290.79581
9535.0000 -52.84336 -51.67154 1.17182 1.65008 -51.94452 302.40223
9540.0000 -52.82421 -51.90306 0.92114 1.65186 -51.93056 301.85702
9545.0000 -52.86411 -52.12723 0.73688 1.64660 -51.97183 294.35084
9550.0000 -52.86491 -52.24488 0.62003 1.61459 -52.22315 247.63872
9555.0000 -52.86927 -52.17140 0.69787 1.62126 -52.17081 255.78652
9560.0000 -52.74063 -52.14938 0.59125 1.64139 -52.01277 288.26198
9565.0000 -52.92577 -52.24219 0.68358 1.63114 -52.09320 272.87159
9570.0000 -52.77766 -51.87110 0.90656 1.62526 -52.13936 270.55929
9575.0000 -52.90213 -51.97221 0.92992 1.65484 -51.90718 302.28859
9580.0000 -52.76762 -51.79459 0.97303 1.66176 -51.85285 311.28184
9585.0000 -52.64891 -51.67766 0.97125 1.66171 -51.85318 304.16655
9590.0000 -52.61857 -51.83804 0.78053 1.70234 -51.53418 356.28242
9595.0000 -52.70755 -51.95074 0.75681 1.65332 -51.91910 307.14915
9600.0000 -53.05382 -51.79456 1.25926 1.66856 -51.79947 329.26999
9605.0000 -52.77329 -51.75687 1.01641 1.66168 -51.85344 313.42790
9610.0000 -52.60240 -51.69701 0.90539 1.67605 -51.74063 331.39746
9615.0000 -52.69693 -51.61707 1.07986 1.66518 -51.82596 323.50164
9620.0000 -52.72087 -51.83196 0.88891 1.68456 -51.67377 338.50231
9625.0000 -52.56853 -51.57299 0.99555 1.67674 -51.73521 337.55127
9630.0000 -52.70897 -51.81207 0.89690 1.65576 -51.89989 299.37402
9635.0000 -52.78115 -51.47210 1.30905 1.69465 -51.59462 364.01448
9640.0000 -52.61451 -51.62767 0.98684 1.68384 -51.67947 355.90889
9645.0000 -52.86460 -52.00833 0.85628 1.67056 -51.78375 319.55290
9650.0000 -53.00451 -52.05674 0.94777 1.64457 -51.98779 293.74460
9655.0000 -53.23632 -52.74310 0.49322 1.59862 -52.34853 231.79164
9660.0000 -52.95504 -52.14803 0.80701 1.58846 -52.42836 226.93575
9665.0000 -52.73223 -52.01945 0.71277 1.63596 -52.05539 285.01504
9670.0000 -52.99947 -52.03385 0.96562 1.65055 -51.94086 299.92794
9675.0000 -52.72646 -52.12519 0.60126 1.62740 -52.12261 269.13965
9680.0000 -52.91175 -51.95193 0.95982 1.62997 -52.10239 277.22937
9685.0000 -52.46117 -51.61030 0.85087 1.66282 -51.84449 313.92387
9690.0000 -52.97746 -52.03045 0.94701 1.66112 -51.85782 305.58060
9695.0000 -52.98679 -51.92458 1.06221 1.64748 -51.96494 292.62361
9700.0000 -52.68881 -51.70596 0.98285 1.65372 -51.91592 311.07666
9705.0000 -52.48380 -51.62518 0.85862 1.69293 -51.60810 355.94512
9710.0000 -52.74903 -51.81764 0.93139 1.69764 -51.57112 362.47248
9715.0000 -52.63331 -51.59527 1.03804 1.66897 -51.79619 326.64363
9720.0000 -52.69302 -51.58029 1.11273 1.69179 -51.61700 358.88651
9725.0000 -52.96023 -52.20086 0.75938 1.64591 -51.97726 294.99980
9730.0000 -52.88845 -52.21493 0.67352 1.61862 -52.19150 260.80675
9735.0000 -52.61256 -51.54881 1.06375 1.65735 -51.88747 309.03671
9740.0000 -52.59329 -51.62160 0.97169 1.69219 -51.61391 344.58412
9745.0000 -52.93768 -52.02290 0.91478 1.66415 -51.83402 313.98989
9750.0000 -52.82736 -51.90578 0.92158 1.64265 -52.00288 288.17574
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 13.5820073 [s].
main_MD> Deallocating global variables
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