tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_28/freeze.log

2254 lines
223 KiB
Plaintext
Raw Blame History

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_28.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 = 28 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 2000
main_MD> Size of nv and nvoiz: 28 2800
main_MD> Size of nv and nvoiz: 28 2800
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 = 28
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 6.8393295963215708E-002 -6.4800778928012087E-002 -0.25449226578940404 initial drift of cluster / NP1 for coalescence
init> 0.42743628633909159 0.34454154782867918 0.24207732291497178 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.9066689055267945E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39569 1.32660 3.53899
force_rgl> df(natom) 3.29245 -0.24495 0.09691
preparo> THERMALIZATION PROCESS AT 1326.3240406470800
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -54.594210363675252 3.9782846427410958 -58.572495006416347 6.8476865868941029E-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 40
FREEZING PROCESS: loop number 1 T-loop= 1299.0000000000000
main_MD> interactions number 1 at Temperature= 1299.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.14257 0.55569 -1.96074
force_rgl> df(natom) -0.58235 1.55362 1.69903
5.0000 -62.87403 -57.47552 5.39851 2.94086 -55.48270 1422.06567
10.0000 -62.06823 -57.28503 4.78320 2.71343 -57.57984 1300.40222
15.0000 -60.00948 -54.91216 5.09733 2.88423 -56.00488 1400.24330
20.0000 -61.02289 -55.97453 5.04836 2.91083 -55.75961 1399.77630
25.0000 -61.43418 -56.15572 5.27847 2.80599 -56.72632 1315.01810
30.0000 -62.70602 -56.71728 5.98873 2.74630 -57.27670 1317.49865
35.0000 -63.12449 -57.45964 5.66485 2.77064 -57.05230 1376.19276
40.0000 -62.45449 -57.32299 5.13150 2.78399 -56.92915 1393.91648
45.0000 -61.61737 -57.65832 3.95905 2.69880 -57.71471 1243.50558
50.0000 -61.84013 -56.63575 5.20439 2.59568 -58.66559 1208.32791
55.0000 -63.02984 -59.51455 3.51529 2.61853 -58.45483 1212.15691
60.0000 -63.04556 -57.97885 5.06671 2.59252 -58.69475 1231.78894
65.0000 -62.69719 -58.53533 4.16186 2.61523 -58.48529 1223.97828
70.0000 -61.51993 -56.57904 4.94090 2.70107 -57.69380 1219.17309
75.0000 -60.62491 -54.41386 6.21105 2.91421 -55.72840 1494.57228
80.0000 -61.64411 -56.94847 4.69564 2.88773 -55.97265 1442.20075
85.0000 -62.35018 -56.83110 5.51908 2.79935 -56.78757 1367.29525
90.0000 -62.22476 -57.36264 4.86212 2.77763 -56.98781 1373.47427
95.0000 -62.38557 -58.30016 4.08541 2.55109 -59.07673 1173.81813
100.0000 -62.11976 -58.02994 4.08982 2.71624 -57.55386 1343.61965
105.0000 -61.58391 -56.48990 5.09401 2.76182 -57.13357 1342.61487
110.0000 -60.81809 -56.43530 4.38280 2.78878 -56.88500 1328.52610
115.0000 -60.83522 -55.27914 5.55608 2.88643 -55.98457 1370.34401
120.0000 -60.69259 -56.00054 4.69205 2.92569 -55.62256 1394.40793
125.0000 -63.18842 -59.12156 4.06685 2.72283 -57.49317 1210.32958
130.0000 -63.09917 -57.96426 5.13491 2.70288 -57.67708 1327.34048
135.0000 -61.44192 -55.81920 5.62272 2.80586 -56.72749 1419.94249
140.0000 -62.97268 -59.15930 3.81338 2.72287 -57.49273 1295.56481
145.0000 -63.55738 -59.46522 4.09216 2.48973 -59.64255 1085.57263
150.0000 -63.54980 -59.10950 4.44030 2.54254 -59.15558 1165.72675
155.0000 -61.91808 -58.18508 3.73300 2.62959 -58.35289 1179.99399
160.0000 -62.37956 -57.90367 4.47589 2.75598 -57.18745 1312.11915
165.0000 -63.52407 -59.31775 4.20632 2.58577 -58.75697 1154.34636
170.0000 -62.25450 -58.02731 4.22719 2.55571 -59.03414 1155.72436
175.0000 -62.83577 -57.22968 5.60609 2.62693 -58.37739 1200.56127
180.0000 -61.41206 -55.66164 5.75042 2.81952 -56.60153 1461.66943
185.0000 -61.83320 -56.30514 5.52806 2.89247 -55.92892 1406.70954
190.0000 -62.59395 -56.00080 6.59315 2.85208 -56.30129 1435.34021
195.0000 -60.99818 -56.47210 4.52608 2.87199 -56.11774 1374.71362
200.0000 -60.82564 -56.19980 4.62584 2.89386 -55.91608 1479.18359
205.0000 -62.70308 -56.75141 5.95167 2.79483 -56.82927 1348.49282
210.0000 -59.88857 -55.74620 4.14237 2.83020 -56.50311 1425.03999
215.0000 -61.92098 -56.91689 5.00409 2.86019 -56.22658 1410.34681
220.0000 -61.33077 -56.93925 4.39152 2.85450 -56.27901 1497.45994
225.0000 -62.08027 -56.53005 5.55022 2.72645 -57.45979 1314.66614
230.0000 -61.49791 -56.87273 4.62518 2.75249 -57.21965 1284.95166
235.0000 -62.29686 -57.71084 4.58602 2.70632 -57.64534 1307.97106
240.0000 -61.77633 -56.26932 5.50702 2.75805 -57.16837 1302.38882
245.0000 -62.46909 -56.65870 5.81039 2.79930 -56.78802 1342.37270
250.0000 -62.64201 -56.87861 5.76340 2.87174 -56.12008 1534.06382
FREEZING PROCESS: loop number 2 T-loop= 1274.0000000000000
main_MD> interactions number 2 at Temperature= 1274.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34271 -1.92007 2.09539
force_rgl> df(natom) -3.01483 2.30493 -1.35341
255.0000 -61.10004 -56.42155 4.67849 2.82531 -56.54820 1344.99853
260.0000 -62.70439 -57.66950 5.03489 2.81372 -56.65504 1365.20097
265.0000 -63.05323 -57.90874 5.14449 2.75218 -57.22251 1364.39098
270.0000 -62.52391 -57.07778 5.44613 2.69080 -57.78846 1243.74041
275.0000 -60.79201 -56.00133 4.79068 2.86325 -56.19836 1427.31488
280.0000 -60.32597 -55.89594 4.43003 2.99385 -54.99407 1429.17841
285.0000 -60.53635 -55.28893 5.24742 2.98804 -55.04767 1576.12185
290.0000 -63.97034 -59.03059 4.93975 2.72319 -57.48980 1292.96291
295.0000 -63.00824 -57.35859 5.64965 2.59377 -58.68319 1143.40871
300.0000 -62.44159 -57.22371 5.21788 2.70443 -57.66280 1280.78507
305.0000 -62.57941 -57.97230 4.60711 2.72821 -57.44351 1240.94973
310.0000 -62.76503 -58.29222 4.47281 2.62151 -58.42741 1152.74703
315.0000 -63.44671 -59.61437 3.83234 2.56724 -58.92785 1142.13006
320.0000 -63.55930 -59.67118 3.88812 2.55462 -59.04415 1133.51780
325.0000 -63.21618 -57.94890 5.26728 2.58041 -58.80638 1202.95808
330.0000 -64.48616 -60.50267 3.98349 2.52679 -59.30077 1106.64514
335.0000 -62.45930 -59.68010 2.77919 2.43238 -60.17131 1035.30813
340.0000 -63.03314 -58.46475 4.56838 2.59792 -58.64487 1196.22688
345.0000 -62.94775 -58.21410 4.73365 2.64852 -58.17832 1241.12828
350.0000 -61.79541 -56.41429 5.38112 2.67595 -57.92543 1250.89135
355.0000 -61.47217 -56.72991 4.74226 2.74508 -57.28796 1430.08626
360.0000 -61.64063 -57.88752 3.75311 2.71432 -57.57161 1330.50644
365.0000 -62.22433 -58.55172 3.67260 2.62347 -58.40931 1203.40769
370.0000 -61.73475 -57.18542 4.54934 2.78167 -56.95056 1361.24018
375.0000 -62.49834 -57.88559 4.61275 2.76471 -57.10694 1353.43102
380.0000 -61.25616 -56.34222 4.91393 2.80884 -56.70002 1341.08330
385.0000 -61.51235 -55.82435 5.68800 2.89544 -55.90156 1449.13551
390.0000 -62.95261 -59.49961 3.45300 2.68511 -57.84094 1229.42586
395.0000 -62.92127 -59.23948 3.68179 2.48319 -59.70283 1064.07920
400.0000 -62.58933 -57.09368 5.49564 2.54275 -59.15365 1132.03417
405.0000 -61.75727 -57.12450 4.63277 2.75925 -57.15729 1403.26668
410.0000 -61.29725 -55.81980 5.47745 2.69764 -57.72540 1291.67124
415.0000 -62.60368 -58.24821 4.35547 2.78739 -56.89786 1390.18067
420.0000 -64.36345 -58.92178 5.44167 2.67959 -57.89185 1293.97158
425.0000 -63.57715 -58.49745 5.07970 2.69992 -57.70442 1312.39242
430.0000 -62.27331 -58.29227 3.98104 2.69960 -57.70732 1317.80556
435.0000 -61.80537 -56.07917 5.72619 2.69050 -57.79124 1278.33165
440.0000 -62.45001 -58.22105 4.22896 2.73094 -57.41838 1351.64458
445.0000 -62.64666 -58.62024 4.02642 2.66492 -58.02710 1268.72867
450.0000 -63.22423 -59.71054 3.51369 2.58170 -58.79449 1178.96418
455.0000 -64.19243 -60.27794 3.91449 2.41134 -60.36536 945.62046
460.0000 -61.39437 -58.31449 3.07988 2.52303 -59.33544 1056.55387
465.0000 -63.76366 -59.47851 4.28515 2.56320 -58.96503 1114.55398
470.0000 -61.57381 -57.74629 3.82752 2.60533 -58.57654 1189.18150
475.0000 -61.40999 -57.10986 4.30013 2.74192 -57.31711 1294.18743
480.0000 -62.93341 -58.62178 4.31164 2.65993 -58.07310 1235.77584
485.0000 -63.63686 -59.26609 4.37077 2.64965 -58.16787 1339.98170
490.0000 -63.03775 -57.76514 5.27261 2.54187 -59.16172 1160.49537
495.0000 -61.40105 -56.09605 5.30500 2.72145 -57.50584 1318.49916
500.0000 -60.36158 -55.63948 4.72210 2.98739 -55.05364 1468.66040
FREEZING PROCESS: loop number 3 T-loop= 1249.0000000000000
main_MD> interactions number 3 at Temperature= 1249.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.50721 1.07496 -2.33347
force_rgl> df(natom) -0.00587 2.86207 2.77043
505.0000 -61.33613 -55.97960 5.35654 2.94219 -55.47041 1423.70404
510.0000 -61.30210 -56.26885 5.03324 2.74659 -57.27408 1286.32653
515.0000 -61.18275 -55.85864 5.32411 2.85962 -56.23182 1459.99208
520.0000 -59.88544 -55.58051 4.30493 2.80970 -56.69210 1275.63128
525.0000 -62.64918 -58.06019 4.58899 2.89294 -55.92453 1384.35356
530.0000 -61.59339 -57.47822 4.11517 2.68854 -57.80935 1269.95906
535.0000 -63.00796 -58.46112 4.54684 2.58856 -58.73125 1161.40049
540.0000 -62.49728 -58.21635 4.28093 2.66082 -58.06488 1258.15583
545.0000 -62.03561 -58.66188 3.37373 2.64426 -58.21759 1180.69309
550.0000 -63.05410 -57.93465 5.11945 2.65894 -58.08226 1222.89219
555.0000 -61.88921 -57.33267 4.55654 2.80012 -56.78042 1366.88266
560.0000 -63.32390 -58.23465 5.08924 2.67339 -57.94901 1260.94068
565.0000 -62.73781 -57.86530 4.87251 2.65295 -58.13748 1198.50555
570.0000 -62.79606 -57.31676 5.47930 2.77293 -57.03113 1319.96536
575.0000 -62.88078 -57.43629 5.44449 2.77029 -57.05549 1333.62803
580.0000 -62.92234 -59.59125 3.33109 2.58671 -58.74829 1183.72761
585.0000 -62.83009 -59.38537 3.44473 2.54614 -59.12235 1162.34836
590.0000 -63.46273 -58.83661 4.62612 2.56624 -58.93701 1200.83806
595.0000 -63.14737 -59.65705 3.49032 2.51646 -59.39602 1150.45208
600.0000 -64.07498 -59.98659 4.08839 2.54660 -59.11814 1144.19535
605.0000 -62.32970 -58.64329 3.68641 2.57244 -58.87985 1192.05004
610.0000 -62.58005 -57.07633 5.50372 2.63445 -58.30809 1164.06657
615.0000 -61.64459 -57.51167 4.13293 2.72702 -57.45451 1314.16175
620.0000 -62.48896 -58.08861 4.40036 2.74707 -57.26965 1354.71705
625.0000 -61.27803 -57.39429 3.88374 2.66844 -57.99463 1229.62008
630.0000 -61.40710 -56.83777 4.56932 2.76122 -57.13911 1304.71265
635.0000 -61.76511 -57.81625 3.94886 2.73442 -57.38629 1278.93503
640.0000 -62.00828 -58.28107 3.72721 2.61610 -58.47731 1220.15288
645.0000 -62.78052 -59.34753 3.43299 2.61618 -58.47651 1215.06949
650.0000 -61.98525 -57.41487 4.57038 2.52550 -59.31271 1140.59501
655.0000 -62.85388 -57.69506 5.15882 2.73547 -57.37658 1340.96907
660.0000 -62.03493 -57.38609 4.64884 2.68397 -57.85150 1241.21638
665.0000 -62.09782 -56.78858 5.30925 2.77952 -56.97037 1308.64366
670.0000 -60.96385 -56.61169 4.35216 2.82210 -56.57773 1444.49409
675.0000 -61.74388 -57.84989 3.89399 2.76576 -57.09728 1301.88085
680.0000 -62.30765 -58.10996 4.19769 2.67716 -57.91426 1241.68802
685.0000 -62.66763 -57.97843 4.68920 2.64342 -58.22538 1157.67451
690.0000 -63.81148 -58.91608 4.89540 2.63282 -58.32312 1214.97283
695.0000 -62.73676 -57.94048 4.79628 2.65345 -58.13285 1219.21923
700.0000 -63.97567 -58.56655 5.40911 2.60020 -58.62389 1239.05793
705.0000 -62.45367 -58.48198 3.97169 2.57802 -58.82840 1179.40017
710.0000 -61.75531 -57.66219 4.09312 2.63831 -58.27251 1237.46959
715.0000 -63.82137 -59.41898 4.40238 2.60548 -58.57516 1202.37414
720.0000 -63.66373 -58.77558 4.88815 2.49342 -59.60845 1087.35495
725.0000 -63.02197 -59.47596 3.54601 2.51061 -59.44996 1145.81207
730.0000 -62.76166 -58.21685 4.54480 2.60515 -58.57823 1161.11641
735.0000 -62.82722 -58.41303 4.41419 2.66667 -58.01101 1241.70619
740.0000 -62.96220 -58.31215 4.65005 2.69298 -57.76842 1209.68539
745.0000 -63.46845 -58.88110 4.58735 2.64744 -58.18833 1252.18606
750.0000 -61.83379 -58.47921 3.35458 2.59551 -58.66713 1139.37099
FREEZING PROCESS: loop number 4 T-loop= 1224.0000000000000
main_MD> interactions number 4 at Temperature= 1224.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.35673 -1.29516 -1.62332
force_rgl> df(natom) 1.64930 8.42717 -5.33950
755.0000 -63.31373 -58.95035 4.36338 2.54327 -59.14885 1100.38223
760.0000 -63.29697 -58.78600 4.51097 2.66045 -58.06834 1240.43434
765.0000 -61.31715 -56.59269 4.72447 2.70230 -57.68241 1231.24736
770.0000 -60.32544 -55.34676 4.97868 2.87424 -56.09699 1304.54426
775.0000 -61.40033 -56.74848 4.65185 2.78871 -56.88567 1325.95424
780.0000 -61.14165 -56.27397 4.86768 2.73833 -57.35021 1312.74319
785.0000 -62.15362 -57.24205 4.91157 2.87126 -56.12445 1418.95955
790.0000 -62.08663 -56.43048 5.65615 2.81761 -56.61915 1409.27118
795.0000 -62.48245 -59.04741 3.43503 2.77487 -57.01331 1348.14200
800.0000 -63.99065 -59.71770 4.27296 2.52074 -59.35653 1070.21791
805.0000 -63.27417 -59.63178 3.64239 2.48626 -59.67456 1160.07368
810.0000 -63.75349 -59.82433 3.92915 2.61325 -58.50351 1258.54841
815.0000 -64.43543 -60.02425 4.41118 2.49433 -59.60010 1148.30651
820.0000 -62.61974 -59.19436 3.42539 2.55865 -59.00705 1168.72375
825.0000 -61.85014 -57.60695 4.24318 2.65612 -58.10825 1251.76153
830.0000 -63.05905 -58.34125 4.71780 2.67061 -57.97463 1269.04679
835.0000 -63.01731 -58.41514 4.60217 2.65801 -58.09086 1241.24229
840.0000 -60.46966 -56.43358 4.03608 2.84798 -56.33916 1393.89122
845.0000 -60.42659 -55.83186 4.59473 2.92813 -55.60012 1393.13675
850.0000 -61.45252 -56.95946 4.49306 2.82146 -56.58370 1353.12835
855.0000 -62.29561 -58.39589 3.89972 2.68436 -57.84785 1211.47406
860.0000 -62.21938 -58.72039 3.49899 2.60672 -58.56378 1186.53977
865.0000 -62.76223 -57.19161 5.57062 2.66392 -58.03630 1254.70404
870.0000 -61.17693 -55.71297 5.46396 2.76746 -57.08159 1390.98649
875.0000 -63.22858 -59.17888 4.04969 2.72602 -57.46373 1316.88300
880.0000 -61.73778 -56.80062 4.93716 2.66681 -58.00969 1257.94303
885.0000 -63.19340 -56.22526 6.96814 2.79456 -56.83167 1330.45352
890.0000 -62.69972 -57.92973 4.76998 2.77665 -56.99687 1316.69347
895.0000 -61.91559 -57.54289 4.37270 2.66949 -57.98499 1254.22133
900.0000 -63.16111 -58.55519 4.60592 2.73589 -57.37269 1298.79973
905.0000 -63.91170 -58.69927 5.21243 2.61264 -58.50920 1119.56866
910.0000 -62.96465 -58.59151 4.37314 2.62997 -58.34937 1245.49185
915.0000 -63.40159 -59.11364 4.28796 2.59628 -58.66000 1217.33405
920.0000 -64.89516 -61.19565 3.69951 2.43280 -60.16745 1068.86618
925.0000 -62.20704 -58.21692 3.99013 2.50440 -59.50723 1126.67736
930.0000 -60.94647 -57.03847 3.90800 2.65816 -58.08941 1245.54850
935.0000 -61.40149 -56.24314 5.15836 2.75941 -57.15579 1267.81594
940.0000 -61.73817 -56.70070 5.03747 2.89066 -55.94558 1396.98139
945.0000 -63.63083 -58.65332 4.97750 2.70008 -57.70292 1218.87980
950.0000 -61.79101 -58.33890 3.45211 2.71061 -57.60578 1270.46765
955.0000 -62.36569 -59.06902 3.29667 2.57561 -58.85066 1116.88844
960.0000 -63.42644 -59.62208 3.80436 2.58094 -58.80144 1085.39130
965.0000 -63.43731 -59.54825 3.88906 2.49901 -59.55691 1107.33646
970.0000 -64.21751 -59.56971 4.64780 2.45620 -59.95166 1060.74601
975.0000 -62.62167 -57.79234 4.82933 2.53570 -59.21866 1124.63201
980.0000 -63.07350 -57.81326 5.26024 2.68757 -57.81823 1295.64194
985.0000 -63.59205 -58.81687 4.77519 2.59403 -58.68076 1229.67178
990.0000 -62.45453 -59.24741 3.20712 2.54577 -59.12582 1129.86902
995.0000 -62.52388 -58.31803 4.20585 2.61530 -58.48468 1211.72385
1000.0000 -61.89737 -56.72129 5.17608 2.72114 -57.50872 1310.23528
FREEZING PROCESS: loop number 5 T-loop= 1199.0000000000000
main_MD> interactions number 5 at Temperature= 1199.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13238 0.29546 -4.04556
force_rgl> df(natom) 0.59598 2.48954 1.31972
1005.0000 -61.22805 -55.85082 5.37723 2.81678 -56.62685 1384.94996
1010.0000 -61.79551 -57.45830 4.33721 2.83744 -56.43637 1412.51073
1015.0000 -63.10928 -57.96600 5.14329 2.72203 -57.50055 1219.58667
1020.0000 -62.57173 -59.00634 3.56539 2.60959 -58.53726 1178.55893
1025.0000 -62.03585 -58.31825 3.71760 2.63105 -58.33943 1235.12316
1030.0000 -62.44102 -57.97543 4.46559 2.59111 -58.70773 1164.18110
1035.0000 -63.06883 -57.97126 5.09757 2.67297 -57.95290 1311.20527
1040.0000 -61.21427 -56.25198 4.96229 2.80117 -56.77077 1397.45320
1045.0000 -61.51931 -56.71686 4.80245 2.89245 -55.92908 1363.18075
1050.0000 -61.36367 -56.60105 4.76263 2.80924 -56.69639 1397.38963
1055.0000 -61.53383 -57.13630 4.39753 2.75167 -57.22724 1325.67809
1060.0000 -61.72295 -55.34340 6.37955 2.80809 -56.70696 1300.35528
1065.0000 -62.75371 -59.09451 3.65920 2.77252 -57.03493 1334.83214
1070.0000 -61.96840 -58.85218 3.11623 2.60018 -58.62411 1163.07269
1075.0000 -62.03082 -57.84044 4.19038 2.56290 -58.96785 1119.06588
1080.0000 -63.24671 -58.99674 4.24997 2.59794 -58.64471 1126.38828
1085.0000 -63.48843 -60.20137 3.28706 2.48954 -59.64423 1129.33205
1090.0000 -64.00244 -59.93193 4.07051 2.43223 -60.17271 1023.63817
1095.0000 -63.42204 -58.80648 4.61556 2.52755 -59.29380 1178.06944
1100.0000 -60.63955 -56.07283 4.56672 2.71670 -57.54965 1278.66160
1105.0000 -61.42710 -56.07041 5.35669 2.87311 -56.10746 1390.19843
1110.0000 -60.71075 -56.23336 4.47739 2.87685 -56.07293 1441.13114
1115.0000 -58.78868 -54.33797 4.45072 2.91852 -55.68868 1386.54217
1120.0000 -60.96278 -56.55058 4.41220 2.94698 -55.42631 1453.25267
1125.0000 -62.05992 -57.73111 4.32881 2.75476 -57.19873 1312.49338
1130.0000 -61.96599 -57.97032 3.99568 2.70604 -57.64799 1260.31025
1135.0000 -62.60659 -58.98707 3.61952 2.66100 -58.06323 1239.88151
1140.0000 -63.38054 -59.57681 3.80373 2.51516 -59.40801 1096.13595
1145.0000 -63.30540 -59.28129 4.02411 2.40381 -60.43481 1045.19700
1150.0000 -64.45171 -60.60801 3.84370 2.30200 -61.37359 938.54922
1155.0000 -64.28998 -59.97414 4.31583 2.47385 -59.78897 1031.55996
1160.0000 -64.37796 -60.29110 4.08686 2.57724 -58.83560 1157.76367
1165.0000 -63.47478 -59.71046 3.76431 2.48154 -59.71808 1052.96633
1170.0000 -63.42411 -58.90651 4.51760 2.54131 -59.16688 1109.27791
1175.0000 -63.94961 -59.45871 4.49090 2.54544 -59.12882 1212.82865
1180.0000 -62.90630 -58.22955 4.67675 2.61208 -58.51438 1199.19003
1185.0000 -63.82872 -58.62833 5.20039 2.59798 -58.64432 1166.89812
1190.0000 -63.09740 -57.27793 5.81948 2.66088 -58.06434 1276.00468
1195.0000 -62.06968 -55.89750 6.17218 2.78930 -56.88019 1390.14022
1200.0000 -61.70887 -57.13585 4.57302 2.79633 -56.81536 1381.89639
1205.0000 -62.14289 -57.69192 4.45098 2.61617 -58.47663 1225.28508
1210.0000 -61.15683 -56.73400 4.42283 2.71449 -57.57003 1261.81263
1215.0000 -62.05137 -57.04072 5.01065 2.80330 -56.75110 1329.86159
1220.0000 -62.06844 -57.79902 4.26942 2.79893 -56.79146 1397.97249
1225.0000 -63.34301 -59.14502 4.19799 2.61212 -58.51395 1174.50452
1230.0000 -63.16994 -58.01512 5.15482 2.56212 -58.97502 1174.65073
1235.0000 -61.55041 -56.94004 4.61037 2.75772 -57.17146 1302.64484
1240.0000 -61.93267 -57.19918 4.73349 2.70408 -57.66606 1326.28131
1245.0000 -62.51447 -57.97509 4.53937 2.63995 -58.25735 1212.27394
1250.0000 -63.95755 -60.10985 3.84770 2.57956 -58.81422 1182.60281
FREEZING PROCESS: loop number 6 T-loop= 1174.0000000000000
main_MD> interactions number 6 at Temperature= 1174.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.56980 -0.87160 -1.18278
force_rgl> df(natom) -3.22650 -0.30941 -2.21258
1255.0000 -63.98101 -58.69876 5.28224 2.50227 -59.52692 1064.73787
1260.0000 -62.48238 -59.17553 3.30685 2.50183 -59.53095 1095.29267
1265.0000 -63.92756 -59.88553 4.04203 2.56364 -58.96097 1131.91644
1270.0000 -64.16247 -61.12605 3.03642 2.35654 -60.87064 942.82984
1275.0000 -63.41756 -60.09380 3.32375 2.47508 -59.77761 1060.30101
1280.0000 -62.12660 -58.32525 3.80135 2.50691 -59.48410 1078.67779
1285.0000 -62.63967 -55.94876 6.69091 2.73780 -57.35509 1395.62750
1290.0000 -61.16398 -56.77690 4.38708 2.94892 -55.40835 1502.63057
1295.0000 -62.84832 -58.19119 4.65712 2.69059 -57.79041 1269.70220
1300.0000 -61.62937 -57.36957 4.25980 2.69799 -57.72221 1196.51229
1305.0000 -61.93996 -57.75320 4.18676 2.76418 -57.11181 1259.71535
1310.0000 -61.59654 -58.04603 3.55051 2.66404 -58.03523 1231.29398
1315.0000 -63.88847 -59.29896 4.58951 2.57986 -58.81142 1144.32207
1320.0000 -63.05427 -58.52823 4.52604 2.59482 -58.67352 1239.16250
1325.0000 -62.82227 -58.34888 4.47339 2.57534 -58.85312 1184.51077
1330.0000 -62.55652 -58.80484 3.75168 2.66444 -58.03154 1235.62409
1335.0000 -64.06535 -60.26971 3.79564 2.45303 -59.98094 1116.58162
1340.0000 -63.15739 -59.24797 3.90942 2.45412 -59.97090 1070.09827
1345.0000 -63.70716 -59.87631 3.83085 2.52298 -59.33588 1122.44264
1350.0000 -63.16255 -59.37080 3.79174 2.42504 -60.23903 1036.90022
1355.0000 -62.75747 -59.05052 3.70695 2.52989 -59.27216 1089.09578
1360.0000 -63.36587 -59.85634 3.50952 2.47544 -59.77431 1086.97851
1365.0000 -62.93669 -59.50387 3.43282 2.55122 -59.07550 1167.70579
1370.0000 -62.44952 -58.35191 4.09761 2.51991 -59.36427 1121.69800
1375.0000 -63.22543 -59.01558 4.20986 2.60976 -58.53570 1170.35470
1380.0000 -63.74935 -60.51514 3.23421 2.45554 -59.95780 1022.44120
1385.0000 -63.29110 -59.44122 3.84988 2.49233 -59.61851 1069.83395
1390.0000 -62.77810 -58.00680 4.77130 2.57600 -58.84702 1144.13623
1395.0000 -63.00129 -58.08620 4.91509 2.68924 -57.80286 1331.93985
1400.0000 -62.67064 -58.39804 4.27260 2.59367 -58.68410 1212.49899
1405.0000 -62.91797 -58.02222 4.89575 2.63668 -58.28750 1189.35586
1410.0000 -62.16151 -58.57700 3.58451 2.60439 -58.58523 1177.74194
1415.0000 -63.43907 -59.51754 3.92153 2.63113 -58.33868 1211.72371
1420.0000 -63.47247 -60.05336 3.41911 2.51410 -59.41781 1143.41102
1425.0000 -64.02249 -59.87704 4.14545 2.46548 -59.86608 1064.32475
1430.0000 -63.93997 -59.69796 4.24201 2.51434 -59.41556 1105.31103
1435.0000 -62.90793 -58.58623 4.32169 2.50507 -59.50110 1082.99487
1440.0000 -63.42450 -59.00362 4.42088 2.55948 -58.99937 1204.22616
1445.0000 -63.18668 -59.33943 3.84726 2.54327 -59.14882 1085.38696
1450.0000 -63.12438 -59.33788 3.78650 2.53314 -59.24226 1099.38338
1455.0000 -60.90756 -57.13578 3.77178 2.69723 -57.72922 1242.96052
1460.0000 -63.29200 -58.06971 5.22228 2.66165 -58.05725 1269.72502
1465.0000 -62.03028 -57.53548 4.49480 2.64526 -58.20838 1198.54059
1470.0000 -63.36746 -58.44871 4.91875 2.65224 -58.14401 1180.90143
1475.0000 -61.37643 -56.55874 4.81769 2.75451 -57.20105 1357.14617
1480.0000 -62.82015 -57.99319 4.82696 2.81922 -56.60433 1426.50652
1485.0000 -62.99866 -58.27293 4.72573 2.69854 -57.71707 1331.07709
1490.0000 -62.76627 -59.30227 3.46400 2.49428 -59.60058 1066.01989
1495.0000 -62.88387 -59.66315 3.22072 2.42818 -60.21006 1035.70136
1500.0000 -62.68477 -59.21015 3.47461 2.55610 -59.03057 1067.84459
FREEZING PROCESS: loop number 7 T-loop= 1149.0000000000000
main_MD> interactions number 7 at Temperature= 1149.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14994 11.72523 0.94963
force_rgl> df(natom) -0.24092 -2.26549 1.66515
1505.0000 -62.85564 -57.30526 5.55038 2.65872 -58.08426 1228.77553
1510.0000 -63.43478 -58.71286 4.72192 2.74377 -57.30002 1309.16120
1515.0000 -62.20873 -58.00621 4.20252 2.68696 -57.82386 1306.51402
1520.0000 -63.93078 -58.90061 5.03018 2.68573 -57.83525 1295.40980
1525.0000 -61.71368 -57.97006 3.74362 2.60356 -58.59290 1173.14647
1530.0000 -63.32453 -58.70794 4.61659 2.62315 -58.41222 1140.97113
1535.0000 -62.96526 -58.54855 4.41671 2.66223 -58.05191 1254.12729
1540.0000 -63.37637 -60.39653 2.97983 2.52144 -59.35015 1099.66761
1545.0000 -64.30781 -60.18949 4.11832 2.40338 -60.43872 986.79591
1550.0000 -63.60551 -59.05632 4.54919 2.47297 -59.79704 1027.31484
1555.0000 -63.53330 -59.33756 4.19573 2.57326 -58.87225 1188.71620
1560.0000 -63.80699 -59.89602 3.91097 2.53820 -59.19559 1049.36246
1565.0000 -62.37636 -58.18938 4.18697 2.56937 -58.90816 1171.68067
1570.0000 -63.78348 -60.39436 3.38912 2.49626 -59.58231 1098.23816
1575.0000 -63.15392 -58.49956 4.65437 2.54086 -59.17104 1076.06186
1580.0000 -62.13955 -56.54389 5.59566 2.69612 -57.73945 1270.23671
1585.0000 -62.09946 -58.83255 3.26692 2.69898 -57.71305 1239.84730
1590.0000 -62.88811 -58.86149 4.02662 2.58905 -58.72673 1146.76936
1595.0000 -63.80082 -60.08886 3.71196 2.50469 -59.50462 1013.79603
1600.0000 -62.62055 -59.11497 3.50558 2.45062 -60.00313 1028.38728
1605.0000 -63.00684 -59.05197 3.95487 2.57147 -58.88879 1130.27419
1610.0000 -62.60039 -58.47717 4.12323 2.57881 -58.82108 1092.02557
1615.0000 -63.35813 -59.59145 3.76668 2.57652 -58.84222 1113.34796
1620.0000 -62.65604 -58.42602 4.23002 2.54616 -59.12217 1059.09135
1625.0000 -63.43733 -60.15489 3.28244 2.56235 -58.97293 1098.51667
1630.0000 -63.16310 -58.46093 4.70217 2.52013 -59.36218 1105.38734
1635.0000 -63.51640 -57.64619 5.87021 2.62416 -58.40295 1194.50802
1640.0000 -62.44122 -58.99300 3.44821 2.59179 -58.70140 1176.51484
1645.0000 -63.27445 -59.74398 3.53047 2.61845 -58.45558 1237.44098
1650.0000 -63.83246 -60.10362 3.72884 2.48259 -59.70839 1076.72829
1655.0000 -61.58860 -58.37158 3.21702 2.58011 -58.80914 1096.78895
1660.0000 -63.81577 -57.95228 5.86349 2.67084 -57.97251 1220.94822
1665.0000 -63.13418 -58.39137 4.74281 2.58529 -58.76140 1150.88614
1670.0000 -62.43930 -57.95396 4.48534 2.63383 -58.31375 1202.93145
1675.0000 -63.04962 -58.93025 4.11937 2.62630 -58.38324 1188.99016
1680.0000 -63.47371 -59.18555 4.28816 2.52564 -59.31141 1129.04897
1685.0000 -62.67664 -58.11036 4.56628 2.53486 -59.22637 1147.75412
1690.0000 -63.32001 -58.15367 5.16634 2.69291 -57.76904 1274.75647
1695.0000 -62.79590 -58.07867 4.71723 2.66428 -58.03300 1238.79587
1700.0000 -62.03889 -58.69040 3.34849 2.56993 -58.90299 1163.66583
1705.0000 -63.09560 -60.26669 2.82891 2.45135 -59.99640 1039.16618
1710.0000 -63.17245 -59.42429 3.74816 2.49362 -59.60663 1013.54409
1715.0000 -62.01139 -58.25754 3.75385 2.58392 -58.77402 1080.79535
1720.0000 -63.95466 -60.19114 3.76352 2.58308 -58.78179 1149.24045
1725.0000 -62.84158 -59.48971 3.35187 2.44664 -60.03980 1019.76761
1730.0000 -63.78088 -60.11411 3.66677 2.45353 -59.97634 1003.07798
1735.0000 -62.39752 -58.47731 3.92021 2.55376 -59.05208 1189.73717
1740.0000 -62.74344 -57.36457 5.37887 2.62544 -58.39114 1130.71550
1745.0000 -63.21564 -59.28472 3.93093 2.63867 -58.26914 1257.67065
1750.0000 -62.30303 -58.56794 3.73508 2.53710 -59.20572 1136.92741
FREEZING PROCESS: loop number 8 T-loop= 1124.0000000000000
main_MD> interactions number 8 at Temperature= 1124.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.40292 -1.96930 -1.60027
force_rgl> df(natom) -4.24671 1.77489 3.02955
1755.0000 -63.31386 -59.39056 3.92330 2.52468 -59.32028 1116.97857
1760.0000 -63.62227 -58.48600 5.13627 2.62772 -58.37011 1216.59018
1765.0000 -62.11825 -57.74422 4.37403 2.66466 -58.02949 1249.77188
1770.0000 -63.33660 -59.91475 3.42185 2.63516 -58.30149 1243.13697
1775.0000 -63.66887 -60.09161 3.57726 2.46781 -59.84465 1040.05110
1780.0000 -63.66021 -59.69768 3.96253 2.46151 -59.90276 1053.11745
1785.0000 -63.53855 -59.39880 4.13975 2.48498 -59.68632 1096.54688
1790.0000 -63.12279 -59.53915 3.58364 2.45690 -59.94526 1036.57375
1795.0000 -63.74985 -60.29029 3.45956 2.51413 -59.41757 1078.70116
1800.0000 -63.71481 -59.66312 4.05169 2.40833 -60.39308 1014.91734
1805.0000 -63.22885 -58.76704 4.46181 2.51219 -59.43539 1020.17779
1810.0000 -61.72332 -57.38345 4.33987 2.59226 -58.69705 1148.40280
1815.0000 -63.68258 -59.99531 3.68727 2.59433 -58.67803 1175.65027
1820.0000 -62.98343 -58.79210 4.19132 2.58178 -58.79374 1173.78237
1825.0000 -63.50825 -59.83296 3.67529 2.48935 -59.64598 1126.80769
1830.0000 -63.33057 -58.95709 4.37348 2.51073 -59.44884 1055.51472
1835.0000 -62.47026 -58.60716 3.86311 2.59138 -58.70524 1133.98382
1840.0000 -62.36396 -58.64012 3.72384 2.62526 -58.39278 1205.56502
1845.0000 -63.83850 -58.18418 5.65432 2.62239 -58.41932 1205.87087
1850.0000 -63.40181 -59.41581 3.98600 2.56233 -58.97305 1151.90000
1855.0000 -63.28549 -59.82121 3.46428 2.57051 -58.89767 1172.17317
1860.0000 -64.01327 -60.61551 3.39776 2.44478 -60.05703 1077.89234
1865.0000 -64.31918 -60.33180 3.98738 2.42343 -60.25388 1039.79193
1870.0000 -63.95389 -58.80622 5.14767 2.57689 -58.83884 1168.24894
1875.0000 -62.04183 -58.87464 3.16719 2.60700 -58.56117 1295.78573
1880.0000 -62.91677 -59.40487 3.51191 2.50643 -59.48854 1089.14924
1885.0000 -63.18298 -59.57363 3.60935 2.51562 -59.40375 1065.58144
1890.0000 -62.29172 -58.03390 4.25783 2.60867 -58.54581 1246.25392
1895.0000 -62.64182 -58.23881 4.40301 2.64053 -58.25202 1279.73783
1900.0000 -62.16600 -58.48574 3.68026 2.65098 -58.15567 1235.70512
1905.0000 -61.43248 -56.65845 4.77404 2.65947 -58.07741 1272.70966
1910.0000 -61.37821 -56.89558 4.48263 2.77815 -56.98304 1360.98699
1915.0000 -63.21868 -58.98526 4.23343 2.63845 -58.27122 1174.01637
1920.0000 -63.73472 -59.56072 4.17400 2.54782 -59.10690 1104.96164
1925.0000 -63.21520 -59.61584 3.59936 2.43937 -60.10685 1041.24942
1930.0000 -64.25525 -59.66331 4.59194 2.60067 -58.61951 1114.97853
1935.0000 -63.24992 -57.77994 5.46997 2.57232 -58.88092 1221.54908
1940.0000 -61.51159 -56.36733 5.14426 2.70358 -57.67064 1342.59661
1945.0000 -64.43182 -60.25447 4.17735 2.58752 -58.74078 1209.12862
1950.0000 -63.99150 -59.57816 4.41335 2.43160 -60.17853 1002.34551
1955.0000 -61.88920 -58.41523 3.47397 2.55691 -59.02303 1140.10715
1960.0000 -63.46997 -58.90562 4.56435 2.54461 -59.13649 1127.58867
1965.0000 -62.46580 -58.92308 3.54272 2.56721 -58.92813 1197.82018
1970.0000 -64.18613 -59.73893 4.44719 2.51315 -59.42657 1130.82314
1975.0000 -64.01541 -60.89655 3.11886 2.33761 -61.04520 976.27998
1980.0000 -64.02660 -60.00498 4.02162 2.42317 -60.25628 1026.33442
1985.0000 -63.19177 -58.94023 4.25153 2.53824 -59.19522 1101.90691
1990.0000 -63.01555 -58.72071 4.29483 2.57983 -58.81175 1145.59822
1995.0000 -62.88742 -58.44555 4.44186 2.61820 -58.45789 1176.48816
2000.0000 -63.25771 -58.45521 4.80251 2.59191 -58.70035 1152.31687
FREEZING PROCESS: loop number 9 T-loop= 1099.0000000000000
main_MD> interactions number 9 at Temperature= 1099.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51505 3.87664 4.63405
force_rgl> df(natom) -1.23371 0.04292 0.43151
2005.0000 -62.57283 -58.92819 3.64465 2.63902 -58.26593 1215.01403
2010.0000 -63.39044 -59.88584 3.50460 2.53737 -59.20326 1081.51503
2015.0000 -64.04308 -59.86429 4.17879 2.43446 -60.15214 972.00796
2020.0000 -62.22391 -58.34332 3.88058 2.52631 -59.30519 1078.43744
2025.0000 -62.64023 -58.64495 3.99528 2.70319 -57.67419 1237.01719
2030.0000 -64.39564 -60.37539 4.02025 2.54082 -59.17144 1092.33648
2035.0000 -64.66542 -59.37789 5.28752 2.40434 -60.42993 1017.82445
2040.0000 -64.98282 -60.84855 4.13427 2.43855 -60.11447 1037.69103
2045.0000 -63.56152 -60.62512 2.93640 2.40701 -60.40524 1006.84409
2050.0000 -62.50262 -59.16347 3.33914 2.44404 -60.06378 986.46556
2055.0000 -63.84991 -59.72459 4.12532 2.48586 -59.67824 1108.46997
2060.0000 -62.68836 -58.33964 4.34872 2.51338 -59.42443 1109.19281
2065.0000 -61.32772 -57.28399 4.04373 2.66133 -58.06018 1145.05656
2070.0000 -62.82226 -57.72420 5.09806 2.69449 -57.75443 1255.12831
2075.0000 -63.60008 -59.96275 3.63732 2.56019 -58.99278 1109.99255
2080.0000 -64.62350 -61.19220 3.43130 2.34275 -60.99780 957.71541
2085.0000 -63.72730 -59.89380 3.83351 2.42661 -60.22458 962.58695
2090.0000 -62.89087 -58.48738 4.40349 2.52101 -59.35407 1165.53757
2095.0000 -64.47153 -60.41635 4.05518 2.37998 -60.65447 962.33555
2100.0000 -63.65626 -60.27570 3.38056 2.48043 -59.72824 1079.69201
2105.0000 -63.63198 -60.45624 3.17574 2.46252 -59.89342 1088.33565
2110.0000 -63.75074 -59.90623 3.84452 2.43720 -60.12692 1025.32096
2115.0000 -64.05563 -59.52937 4.52626 2.53205 -59.25232 1149.66501
2120.0000 -63.42455 -59.06344 4.36111 2.51088 -59.44746 1159.48800
2125.0000 -63.20187 -59.06092 4.14095 2.52635 -59.30481 1092.94945
2130.0000 -62.67071 -58.56910 4.10161 2.51729 -59.38836 1151.50916
2135.0000 -63.58057 -60.71584 2.86474 2.49333 -59.60932 1029.61979
2140.0000 -64.19294 -59.85626 4.33668 2.43108 -60.18331 1018.37078
2145.0000 -64.09503 -60.02813 4.06690 2.37753 -60.67713 982.42850
2150.0000 -63.88481 -58.77615 5.10866 2.52286 -59.33705 1134.43344
2155.0000 -63.32895 -59.02960 4.29934 2.57539 -58.85269 1149.48107
2160.0000 -63.44319 -59.97526 3.46792 2.52777 -59.29176 1136.09470
2165.0000 -63.02980 -59.50933 3.52047 2.49130 -59.62800 1104.01666
2170.0000 -63.67085 -59.84533 3.82552 2.50473 -59.50419 1050.10244
2175.0000 -63.53110 -58.96641 4.56468 2.55111 -59.07657 1152.69653
2180.0000 -62.66215 -58.14907 4.51308 2.68165 -57.87286 1286.80227
2185.0000 -63.76312 -60.66825 3.09487 2.49559 -59.58845 1079.24788
2190.0000 -63.70853 -60.49073 3.21780 2.43459 -60.15096 1038.53050
2195.0000 -63.47440 -58.70274 4.77166 2.56643 -58.93525 1120.73597
2200.0000 -62.79915 -59.47384 3.32531 2.52517 -59.31577 1091.58863
2205.0000 -64.22475 -59.93387 4.29088 2.41783 -60.30546 1047.71462
2210.0000 -62.62247 -58.61641 4.00606 2.54078 -59.17178 1148.79278
2215.0000 -62.70958 -59.54429 3.16529 2.51834 -59.37871 1089.44909
2220.0000 -62.26249 -58.27603 3.98647 2.64256 -58.23331 1181.39557
2225.0000 -63.38801 -59.50050 3.88751 2.66654 -58.01220 1244.36952
2230.0000 -63.54474 -59.91279 3.63196 2.47362 -59.79106 1051.65593
2235.0000 -63.58445 -60.38919 3.19527 2.42109 -60.27546 1014.95886
2240.0000 -62.91914 -58.38044 4.53870 2.56553 -58.94354 1117.67900
2245.0000 -62.55937 -59.63600 2.92338 2.52419 -59.32476 1110.49524
2250.0000 -64.05332 -60.41258 3.64074 2.51222 -59.43515 1039.37089
FREEZING PROCESS: loop number 10 T-loop= 1074.0000000000000
main_MD> interactions number 10 at Temperature= 1074.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.86450 -3.64888 2.61872
force_rgl> df(natom) -8.08358 -4.84969 -0.67771
2255.0000 -64.40310 -60.16906 4.23403 2.43465 -60.15038 1045.31834
2260.0000 -63.99349 -60.31228 3.68122 2.47932 -59.73854 1067.79650
2265.0000 -63.49286 -59.49329 3.99957 2.46324 -59.88677 1010.80775
2270.0000 -61.86248 -58.93889 2.92359 2.54287 -59.15253 1114.71383
2275.0000 -64.04583 -60.39419 3.65165 2.53660 -59.21034 1132.17166
2280.0000 -64.28664 -59.72286 4.56378 2.52430 -59.32374 1114.89824
2285.0000 -63.00679 -59.45600 3.55079 2.56784 -58.92225 1211.51195
2290.0000 -63.02304 -58.41300 4.61004 2.44394 -60.06475 1041.43820
2295.0000 -64.31691 -59.64870 4.66820 2.61989 -58.44234 1207.01521
2300.0000 -63.74724 -60.78287 2.96437 2.42303 -60.25756 995.14453
2305.0000 -64.81470 -60.87520 3.93950 2.42883 -60.20407 1052.37162
2310.0000 -64.93078 -61.49497 3.43581 2.22580 -62.07620 886.08879
2315.0000 -64.17871 -60.10215 4.07656 2.36375 -60.80414 1009.30422
2320.0000 -63.35970 -57.98040 5.37930 2.52854 -59.28467 1110.98150
2325.0000 -63.73823 -58.21919 5.51903 2.63452 -58.30743 1235.86954
2330.0000 -62.97840 -59.33340 3.64500 2.57352 -58.86993 1147.82444
2335.0000 -64.80595 -60.86101 3.94493 2.46241 -59.89440 1045.28707
2340.0000 -63.24675 -58.57986 4.66689 2.51153 -59.44149 1103.91083
2345.0000 -62.83563 -59.78057 3.05506 2.58033 -58.80708 1106.53133
2350.0000 -63.19627 -59.14270 4.05357 2.50627 -59.48996 1099.80253
2355.0000 -64.05212 -59.49100 4.56112 2.46458 -59.87439 1077.40052
2360.0000 -62.51258 -58.71748 3.79510 2.55628 -59.02886 1123.15022
2365.0000 -62.55299 -58.51296 4.04002 2.59884 -58.63646 1168.92576
2370.0000 -61.14415 -57.81920 3.32495 2.64268 -58.23216 1226.46978
2375.0000 -63.35513 -59.72942 3.62571 2.58530 -58.76124 1156.22173
2380.0000 -63.04318 -59.00142 4.04176 2.48695 -59.66816 1063.46116
2385.0000 -63.83485 -59.71216 4.12269 2.55182 -59.07001 1110.59123
2390.0000 -63.31110 -58.65739 4.65371 2.51376 -59.42095 1164.03350
2395.0000 -63.91226 -59.86597 4.04630 2.54124 -59.16751 1161.56733
2400.0000 -62.67721 -57.59263 5.08459 2.50548 -59.49733 1130.12370
2405.0000 -64.19958 -59.65573 4.54385 2.57998 -58.81030 1201.44522
2410.0000 -63.61682 -59.00855 4.60827 2.57872 -58.82200 1174.44918
2415.0000 -64.15580 -58.90478 5.25102 2.50412 -59.50985 1114.00748
2420.0000 -63.05136 -59.02773 4.02363 2.56807 -58.92020 1102.68942
2425.0000 -64.17628 -60.87041 3.30587 2.51389 -59.41974 1043.70281
2430.0000 -64.11535 -60.80708 3.30827 2.35393 -60.89471 964.53034
2435.0000 -64.08292 -60.69637 3.38655 2.38895 -60.57182 1010.68329
2440.0000 -64.13088 -60.92730 3.20358 2.36646 -60.77917 969.73241
2445.0000 -62.86324 -58.33810 4.52514 2.50384 -59.51239 1115.37501
2450.0000 -61.69951 -57.39040 4.30911 2.66854 -57.99375 1194.24860
2455.0000 -62.83191 -58.12119 4.71072 2.69537 -57.74629 1270.99885
2460.0000 -63.16605 -59.23708 3.92897 2.65894 -58.08227 1264.58107
2465.0000 -63.10857 -59.27006 3.83851 2.51238 -59.43363 1092.23969
2470.0000 -62.71033 -57.90100 4.80934 2.57877 -58.82151 1151.70770
2475.0000 -63.96771 -59.56344 4.40428 2.60672 -58.56372 1162.01718
2480.0000 -65.62638 -61.20483 4.42155 2.42369 -60.25144 1012.18348
2485.0000 -63.50960 -59.87192 3.63768 2.46421 -59.87786 1052.50624
2490.0000 -63.74087 -60.03506 3.70582 2.53049 -59.26668 1108.75767
2495.0000 -64.48008 -59.84229 4.63779 2.47266 -59.79989 1072.07065
2500.0000 -63.79470 -59.75947 4.03523 2.43315 -60.16420 1018.35955
FREEZING PROCESS: loop number 11 T-loop= 1049.0000000000000
main_MD> interactions number 11 at Temperature= 1049.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16570 1.24100 1.67897
force_rgl> df(natom) 0.72793 -0.60084 -0.72894
2505.0000 -62.71959 -59.77917 2.94042 2.46729 -59.84947 996.07747
2510.0000 -62.96300 -58.22070 4.74230 2.57719 -58.83602 1201.85330
2515.0000 -62.94661 -59.83463 3.11199 2.53402 -59.23416 1125.74503
2520.0000 -62.69983 -58.17683 4.52300 2.56568 -58.94216 1150.56447
2525.0000 -62.40163 -58.45951 3.94212 2.65338 -58.13354 1184.41196
2530.0000 -63.06078 -60.45150 2.60928 2.54713 -59.11321 1116.00583
2535.0000 -64.36090 -61.37075 2.99015 2.35685 -60.86781 933.43751
2540.0000 -63.69610 -59.89043 3.80567 2.34476 -60.97924 932.20553
2545.0000 -63.57649 -60.11372 3.46277 2.37491 -60.70124 981.09353
2550.0000 -62.33177 -58.24394 4.08783 2.49339 -59.60878 1080.16041
2555.0000 -63.04822 -58.58550 4.46272 2.63825 -58.27307 1230.48423
2560.0000 -63.79249 -60.09946 3.69302 2.52021 -59.36145 1100.04637
2565.0000 -64.52809 -61.74356 2.78453 2.32594 -61.15281 901.54032
2570.0000 -65.12590 -60.08868 5.03722 2.33590 -61.06095 964.77901
2575.0000 -63.52744 -60.08138 3.44606 2.53233 -59.24973 1141.79291
2580.0000 -63.67455 -59.79047 3.88408 2.46369 -59.88259 1052.56174
2585.0000 -63.84601 -59.86613 3.97988 2.40053 -60.46497 1023.17160
2590.0000 -62.15469 -58.50277 3.65192 2.59744 -58.64932 1152.52786
2595.0000 -63.25768 -59.22871 4.02897 2.64527 -58.20830 1174.29382
2600.0000 -63.14806 -59.10632 4.04175 2.52853 -59.28479 1034.88099
2605.0000 -63.33614 -60.07594 3.26020 2.47186 -59.80733 1074.93516
2610.0000 -64.91861 -60.10930 4.80931 2.43971 -60.10375 977.03073
2615.0000 -64.03967 -60.17898 3.86069 2.37826 -60.67038 992.99450
2620.0000 -64.11966 -60.76144 3.35822 2.44278 -60.07544 1023.93567
2625.0000 -64.46728 -60.19994 4.26734 2.40028 -60.46729 1016.17593
2630.0000 -63.75757 -59.21876 4.53881 2.49969 -59.55066 1120.51588
2635.0000 -64.35191 -60.77830 3.57361 2.40202 -60.45124 1026.32046
2640.0000 -63.66552 -60.47752 3.18800 2.39981 -60.47168 1011.03596
2645.0000 -63.18087 -59.50564 3.67522 2.41880 -60.29656 1056.33258
2650.0000 -62.10111 -58.19095 3.91016 2.59979 -58.62767 1196.24866
2655.0000 -62.87712 -59.32884 3.54828 2.61258 -58.50973 1148.50248
2660.0000 -63.63061 -59.15803 4.47258 2.52995 -59.27167 1151.23200
2665.0000 -62.83393 -59.73710 3.09683 2.50895 -59.46531 1097.05112
2670.0000 -64.12445 -59.23115 4.89330 2.55144 -59.07349 1091.34418
2675.0000 -62.56117 -57.55925 5.00192 2.62957 -58.35308 1189.60169
2680.0000 -64.94576 -60.32267 4.62309 2.52882 -59.28204 1121.86461
2685.0000 -63.60985 -59.85272 3.75713 2.44785 -60.02873 1063.34758
2690.0000 -65.04334 -61.85962 3.18373 2.35516 -60.88338 935.71016
2695.0000 -63.31028 -59.86580 3.44448 2.36773 -60.76747 941.15604
2700.0000 -63.32301 -60.39469 2.92832 2.50655 -59.48746 1120.22777
2705.0000 -63.04116 -58.72821 4.31294 2.46569 -59.86414 1046.67400
2710.0000 -64.09622 -60.09217 4.00405 2.41835 -60.30069 1017.64505
2715.0000 -62.18520 -58.77629 3.40891 2.53726 -59.20421 1130.42707
2720.0000 -63.79330 -59.67474 4.11857 2.59360 -58.68479 1148.24078
2725.0000 -62.49886 -58.69471 3.80415 2.58624 -58.75264 1190.70857
2730.0000 -63.97182 -59.21901 4.75281 2.51673 -59.39358 1058.56656
2735.0000 -62.85806 -60.01238 2.84568 2.51627 -59.39779 1098.39176
2740.0000 -63.38120 -59.17260 4.20860 2.49607 -59.58404 1143.49249
2745.0000 -63.60827 -59.16033 4.44794 2.46206 -59.89766 1061.92996
2750.0000 -64.35373 -60.43021 3.92352 2.46585 -59.86275 1037.26356
FREEZING PROCESS: loop number 12 T-loop= 1024.0000000000000
main_MD> interactions number 12 at Temperature= 1024.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73563 1.58668 -1.88515
force_rgl> df(natom) -1.89006 -2.22126 -3.84909
2755.0000 -64.62522 -61.39805 3.22717 2.36775 -60.76727 995.72779
2760.0000 -64.59024 -61.22524 3.36500 2.29715 -61.41829 863.02459
2765.0000 -64.57848 -60.59076 3.98772 2.38801 -60.58049 1020.95625
2770.0000 -64.45582 -60.44133 4.01449 2.42727 -60.21847 1020.36465
2775.0000 -63.80493 -60.22804 3.57689 2.38499 -60.60833 985.48690
2780.0000 -63.05115 -59.45460 3.59655 2.46951 -59.82901 1092.78221
2785.0000 -63.36212 -60.63075 2.73137 2.44276 -60.07562 996.58709
2790.0000 -64.79049 -61.48825 3.30224 2.32321 -61.17796 944.15657
2795.0000 -63.62208 -59.72731 3.89478 2.32043 -61.20363 897.46308
2800.0000 -64.06739 -59.30001 4.76737 2.48097 -59.72329 1101.63106
2805.0000 -62.97925 -59.23284 3.74641 2.57452 -58.86071 1150.90765
2810.0000 -63.72558 -60.33259 3.39300 2.45432 -59.96899 1128.71250
2815.0000 -64.86410 -60.98614 3.87795 2.34918 -60.93855 944.13297
2820.0000 -64.27132 -60.93498 3.33634 2.37568 -60.69419 974.48784
2825.0000 -64.98593 -61.86227 3.12366 2.28937 -61.49003 872.15267
2830.0000 -63.54330 -59.17453 4.36877 2.39693 -60.49825 1011.57501
2835.0000 -62.95367 -58.33369 4.61998 2.62690 -58.37769 1132.06242
2840.0000 -63.47795 -59.67883 3.79912 2.47973 -59.73474 1057.32312
2845.0000 -64.07532 -59.14500 4.93032 2.60206 -58.60677 1236.67769
2850.0000 -64.79302 -60.47757 4.31545 2.47342 -59.79292 1041.68865
2855.0000 -65.03893 -60.96177 4.07716 2.38156 -60.63994 1036.22776
2860.0000 -63.68928 -59.61072 4.07856 2.42575 -60.23243 1037.38723
2865.0000 -64.09254 -59.10575 4.98679 2.52024 -59.36120 1091.40458
2870.0000 -64.38333 -60.12016 4.26317 2.45765 -59.93830 1071.59580
2875.0000 -65.07434 -61.63734 3.43700 2.28581 -61.52285 894.78338
2880.0000 -63.70772 -59.85170 3.85602 2.38297 -60.62690 1025.96476
2885.0000 -63.61109 -60.98891 2.62218 2.36787 -60.76615 999.18091
2890.0000 -64.29538 -61.42563 2.86975 2.32392 -61.17144 883.70310
2895.0000 -64.63316 -61.79241 2.84074 2.29116 -61.47350 881.16749
2900.0000 -64.20509 -60.97783 3.22726 2.29498 -61.43825 931.14567
2905.0000 -64.23809 -61.18249 3.05560 2.37477 -60.70254 923.39826
2910.0000 -63.87350 -59.62669 4.24681 2.42792 -60.21249 1054.45044
2915.0000 -62.43474 -59.13413 3.30061 2.46181 -59.89995 1028.08318
2920.0000 -64.16182 -61.34642 2.81540 2.45877 -59.92797 1019.46132
2925.0000 -63.91307 -60.14908 3.76399 2.45109 -59.99883 1042.91821
2930.0000 -63.67521 -59.85702 3.81819 2.44695 -60.03697 1020.29808
2935.0000 -64.02122 -59.47928 4.54194 2.51257 -59.43194 1107.00133
2940.0000 -64.31232 -59.98991 4.32242 2.46766 -59.84601 1025.39039
2945.0000 -64.43809 -60.42373 4.01436 2.46402 -59.87955 1096.98452
2950.0000 -63.02152 -59.62509 3.39642 2.45781 -59.93683 1054.85805
2955.0000 -62.68776 -58.18010 4.50766 2.52515 -59.31595 1033.93540
2960.0000 -63.76089 -60.09521 3.66568 2.58785 -58.73776 1196.37864
2965.0000 -63.68009 -60.24695 3.43314 2.49691 -59.57627 1015.62733
2970.0000 -63.50738 -59.68939 3.81799 2.42309 -60.25703 1017.74972
2975.0000 -64.19385 -59.72497 4.46887 2.43090 -60.18496 1027.00219
2980.0000 -64.33371 -60.68625 3.64745 2.32747 -61.13873 988.68700
2985.0000 -64.88278 -60.78725 4.09553 2.31062 -61.29407 945.32969
2990.0000 -63.89494 -60.07601 3.81893 2.39917 -60.47757 1037.38813
2995.0000 -63.14664 -58.94618 4.20045 2.54189 -59.16151 1234.21793
3000.0000 -63.64801 -58.77981 4.86820 2.54701 -59.11438 1134.54177
FREEZING PROCESS: loop number 13 T-loop= 999.00000000000000
main_MD> interactions number 13 at Temperature= 999.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.76485 -0.87478 -3.10056
force_rgl> df(natom) -3.70363 -5.96883 -1.86035
3005.0000 -64.48983 -59.96516 4.52467 2.54082 -59.17145 1101.17462
3010.0000 -64.01646 -60.67771 3.33875 2.40480 -60.42567 953.32508
3015.0000 -65.00349 -61.46046 3.54304 2.34791 -60.95027 949.17172
3020.0000 -64.39398 -61.05747 3.33651 2.34689 -60.95961 925.68801
3025.0000 -65.32500 -62.55445 2.77055 2.23686 -61.97424 832.15289
3030.0000 -65.21218 -61.60000 3.61218 2.23100 -62.02821 838.84145
3035.0000 -63.75936 -59.47465 4.28471 2.48655 -59.67181 1088.24279
3040.0000 -63.11615 -59.68477 3.43138 2.54050 -59.17441 1089.57212
3045.0000 -63.90854 -60.46394 3.44460 2.41576 -60.32455 951.06224
3050.0000 -63.60500 -59.84392 3.76108 2.44123 -60.08972 973.72348
3055.0000 -62.67399 -59.76255 2.91144 2.40671 -60.40801 965.95143
3060.0000 -63.41431 -59.32661 4.08770 2.52672 -59.30146 1094.39377
3065.0000 -63.32749 -59.28914 4.03835 2.53026 -59.26881 1103.22744
3070.0000 -63.80543 -60.70179 3.10364 2.42017 -60.28392 1027.34626
3075.0000 -65.10179 -60.99262 4.10918 2.30987 -61.30099 923.53516
3080.0000 -63.56969 -60.32275 3.24694 2.40396 -60.43342 1030.63058
3085.0000 -63.15951 -59.25379 3.90572 2.52016 -59.36194 1063.55148
3090.0000 -63.80710 -59.86482 3.94228 2.47491 -59.77919 1088.43855
3095.0000 -64.49043 -59.94777 4.54266 2.50238 -59.52584 1082.94487
3100.0000 -63.15030 -60.03286 3.11744 2.43819 -60.11775 1019.84350
3105.0000 -63.43942 -60.18204 3.25738 2.44515 -60.05362 972.42736
3110.0000 -64.11243 -61.45741 2.65503 2.38624 -60.59679 927.87748
3115.0000 -64.25915 -60.81438 3.44478 2.34846 -60.94512 928.65433
3120.0000 -62.98695 -59.05238 3.93457 2.47701 -59.75978 1100.61131
3125.0000 -63.37383 -58.90771 4.46612 2.51540 -59.40583 1112.46079
3130.0000 -63.67230 -59.41962 4.25268 2.53598 -59.21610 1147.73423
3135.0000 -62.75646 -57.63965 5.11681 2.52028 -59.36081 1131.36635
3140.0000 -63.66712 -59.48711 4.18001 2.59133 -58.70569 1109.80265
3145.0000 -62.99332 -59.25030 3.74302 2.53060 -59.26565 1130.36454
3150.0000 -63.58413 -59.07484 4.50929 2.54873 -59.09846 1131.54343
3155.0000 -63.18441 -60.27198 2.91244 2.39874 -60.48153 1010.27296
3160.0000 -64.04778 -58.51601 5.53176 2.53639 -59.21226 1153.53506
3165.0000 -64.22364 -60.89082 3.33282 2.45019 -60.00709 1006.32168
3170.0000 -63.12894 -59.82582 3.30311 2.36295 -60.81155 961.15025
3175.0000 -63.37254 -58.98554 4.38700 2.47339 -59.79317 1025.38048
3180.0000 -63.77888 -60.75097 3.02790 2.41618 -60.32070 987.44493
3185.0000 -64.20762 -60.47267 3.73495 2.36528 -60.79004 941.35335
3190.0000 -63.54557 -59.94081 3.60476 2.41156 -60.36334 973.05513
3195.0000 -63.09618 -59.40536 3.69081 2.48297 -59.70481 1033.38934
3200.0000 -65.19690 -60.88521 4.31169 2.41898 -60.29488 1020.78195
3205.0000 -64.49166 -60.88820 3.60346 2.31606 -61.24391 944.66969
3210.0000 -65.24827 -60.77368 4.47459 2.30690 -61.32834 918.08899
3215.0000 -64.94720 -60.78191 4.16528 2.35845 -60.85301 970.26757
3220.0000 -63.50053 -60.00109 3.49945 2.45909 -59.92509 1045.62219
3225.0000 -64.36314 -60.33147 4.03168 2.34534 -60.97389 948.28531
3230.0000 -64.64619 -61.46514 3.18105 2.39075 -60.55523 978.33624
3235.0000 -64.44407 -60.44944 3.99462 2.25869 -61.77287 896.71229
3240.0000 -64.30143 -60.31333 3.98810 2.45320 -59.97938 1109.77041
3245.0000 -63.49970 -60.79894 2.70076 2.40072 -60.46328 974.35820
3250.0000 -64.66766 -59.58730 5.08037 2.40907 -60.38624 1027.03670
FREEZING PROCESS: loop number 14 T-loop= 974.00000000000000
main_MD> interactions number 14 at Temperature= 974.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94611 0.99243 -0.31436
force_rgl> df(natom) -3.77552 -0.36002 3.93026
3255.0000 -63.78011 -59.45133 4.32878 2.52228 -59.34235 1075.85807
3260.0000 -64.00976 -60.43260 3.57717 2.50728 -59.48066 1105.01138
3265.0000 -63.85295 -60.50544 3.34751 2.37766 -60.67593 1000.57303
3270.0000 -64.39532 -61.60991 2.78541 2.33826 -61.03924 909.55344
3275.0000 -64.46007 -60.86239 3.59768 2.33379 -61.08042 910.99810
3280.0000 -64.30845 -61.39109 2.91735 2.27529 -61.61987 860.26542
3285.0000 -64.24896 -60.87324 3.37572 2.41252 -60.35443 993.67370
3290.0000 -64.01920 -60.61763 3.40158 2.37276 -60.72110 971.05643
3295.0000 -63.92172 -60.23546 3.68626 2.41841 -60.30017 988.39619
3300.0000 -64.32584 -60.65054 3.67530 2.34950 -60.93556 929.25111
3305.0000 -63.64006 -59.97940 3.66066 2.40439 -60.42942 947.52176
3310.0000 -63.50225 -60.01133 3.49092 2.53823 -59.19530 1129.27593
3315.0000 -64.44561 -60.14493 4.30069 2.50331 -59.51726 1082.89507
3320.0000 -64.30744 -60.58962 3.71782 2.41705 -60.31265 1007.25169
3325.0000 -63.33907 -60.21333 3.12574 2.38411 -60.61638 1003.32320
3330.0000 -63.08780 -59.70726 3.38055 2.40892 -60.38767 1045.32760
3335.0000 -64.87060 -60.88009 3.99051 2.42636 -60.22685 1059.88122
3340.0000 -63.92907 -60.70170 3.22737 2.33938 -61.02884 879.02755
3345.0000 -63.56267 -59.99986 3.56281 2.39646 -60.50254 962.09118
3350.0000 -64.29552 -60.53140 3.76412 2.46798 -59.84309 1033.61029
3355.0000 -63.39731 -59.33222 4.06510 2.43534 -60.14401 1068.36808
3360.0000 -65.25245 -61.72274 3.52972 2.42054 -60.28053 1055.87410
3365.0000 -64.51564 -60.49022 4.02542 2.30412 -61.35404 920.59679
3370.0000 -64.22509 -60.90997 3.31512 2.35242 -60.90863 995.16389
3375.0000 -63.74349 -60.19711 3.54638 2.42723 -60.21887 1001.51459
3380.0000 -63.97344 -60.54064 3.43280 2.41512 -60.33048 1030.75137
3385.0000 -63.95328 -60.27570 3.67758 2.47752 -59.75513 1060.03884
3390.0000 -63.55785 -60.76001 2.79784 2.36027 -60.83626 909.67941
3395.0000 -64.71867 -61.05076 3.66790 2.35206 -60.91193 927.52214
3400.0000 -63.21816 -59.50146 3.71670 2.44072 -60.09444 1037.97532
3405.0000 -64.05953 -60.80706 3.25247 2.41964 -60.28879 1017.92310
3410.0000 -63.96601 -60.08612 3.87989 2.42581 -60.23193 1041.57806
3415.0000 -64.10096 -60.41639 3.68456 2.36992 -60.74726 949.72709
3420.0000 -63.61617 -59.73222 3.88395 2.42516 -60.23792 1040.13642
3425.0000 -62.08397 -59.15302 2.93096 2.48235 -59.71059 996.71961
3430.0000 -63.81317 -61.04683 2.76634 2.46838 -59.83937 1077.11241
3435.0000 -65.29499 -61.59505 3.69995 2.29503 -61.43781 939.42744
3440.0000 -65.68110 -62.57014 3.11097 2.23382 -62.00219 873.37127
3445.0000 -63.89633 -60.31808 3.57825 2.31446 -61.25868 930.76769
3450.0000 -62.85861 -60.01777 2.84084 2.44330 -60.07067 1026.70977
3455.0000 -64.32212 -60.34908 3.97304 2.39756 -60.49245 940.46401
3460.0000 -64.26569 -61.08794 3.17774 2.36715 -60.77280 911.48214
3465.0000 -64.92847 -61.95163 2.97684 2.21380 -62.18684 833.77012
3470.0000 -64.67736 -61.74378 2.93358 2.27917 -61.58405 874.87246
3475.0000 -64.26762 -60.78510 3.48252 2.32030 -61.20479 878.91172
3480.0000 -63.94454 -61.25279 2.69174 2.38134 -60.64193 975.79400
3485.0000 -64.45297 -61.16394 3.28904 2.26074 -61.75403 814.38592
3490.0000 -64.84942 -61.68575 3.16367 2.27697 -61.60432 891.12734
3495.0000 -63.77049 -59.17585 4.59464 2.39319 -60.53274 1023.33233
3500.0000 -64.12282 -60.10844 4.01438 2.45679 -59.94626 1045.80420
FREEZING PROCESS: loop number 15 T-loop= 949.00000000000000
main_MD> interactions number 15 at Temperature= 949.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94591 3.89772 -3.50285
force_rgl> df(natom) 3.93437 -2.41746 -0.23213
3505.0000 -65.12941 -61.38951 3.73989 2.38038 -60.65082 930.51924
3510.0000 -64.79387 -61.71492 3.07895 2.25903 -61.76973 851.39747
3515.0000 -64.67065 -61.50504 3.16561 2.23689 -61.97391 821.50850
3520.0000 -64.68946 -61.72826 2.96120 2.23304 -62.00939 854.58836
3525.0000 -64.67580 -60.72558 3.95022 2.31649 -61.23991 925.86851
3530.0000 -64.18150 -60.55143 3.63007 2.35153 -60.91682 984.95319
3535.0000 -64.33406 -61.73664 2.59742 2.27502 -61.62235 881.18054
3540.0000 -64.74058 -61.27650 3.46408 2.30594 -61.33718 901.49831
3545.0000 -64.94404 -61.40429 3.53976 2.28508 -61.52953 874.01579
3550.0000 -64.00935 -60.45898 3.55037 2.43940 -60.10660 1003.55556
3555.0000 -65.81976 -63.02036 2.79940 2.19001 -62.40623 807.44122
3560.0000 -65.68715 -63.18488 2.50226 2.09439 -63.28788 707.52927
3565.0000 -64.36880 -61.44990 2.91890 2.24804 -61.87112 901.92273
3570.0000 -65.04894 -61.90253 3.14641 2.33349 -61.08320 923.30119
3575.0000 -65.71718 -62.22010 3.49708 2.21734 -62.15422 787.53550
3580.0000 -64.39141 -61.14330 3.24810 2.26197 -61.74266 846.26005
3585.0000 -64.81781 -61.22300 3.59480 2.40670 -60.40814 1018.76507
3590.0000 -64.76064 -61.97089 2.78975 2.28422 -61.53753 889.86530
3595.0000 -64.44979 -61.41087 3.03892 2.29238 -61.46226 920.91915
3600.0000 -64.59803 -61.31753 3.28050 2.31303 -61.27186 883.56516
3605.0000 -64.62887 -61.68225 2.94663 2.30796 -61.31860 844.26157
3610.0000 -65.04310 -62.39362 2.64947 2.30177 -61.37568 874.01963
3615.0000 -65.50399 -62.56827 2.93573 2.17400 -62.55384 846.54411
3620.0000 -64.15771 -61.49406 2.66365 2.27383 -61.63331 891.66511
3625.0000 -64.69922 -60.60739 4.09183 2.30195 -61.37397 865.66156
3630.0000 -63.47703 -59.86297 3.61407 2.45970 -59.91944 1044.44036
3635.0000 -64.67715 -60.39521 4.28194 2.43981 -60.10281 1025.60513
3640.0000 -64.50638 -61.65359 2.85279 2.31110 -61.28967 945.46081
3645.0000 -64.65100 -60.53778 4.11322 2.32279 -61.18187 924.51297
3650.0000 -64.28167 -60.32312 3.95855 2.35486 -60.88609 962.71073
3655.0000 -63.06527 -59.54489 3.52038 2.42504 -60.23898 984.28780
3660.0000 -64.14198 -60.25066 3.89132 2.44473 -60.05750 1048.84888
3665.0000 -64.57173 -59.96996 4.60177 2.48298 -59.70477 1015.55952
3670.0000 -64.59852 -61.08979 3.50873 2.43441 -60.15260 1055.92422
3675.0000 -65.47325 -62.42858 3.04467 2.19599 -62.35103 815.47827
3680.0000 -65.07017 -61.32717 3.74300 2.24328 -61.91501 912.59346
3685.0000 -64.21244 -60.44662 3.76583 2.38276 -60.62890 1003.83677
3690.0000 -64.09048 -61.14850 2.94198 2.30659 -61.33124 874.33932
3695.0000 -64.11276 -60.44300 3.66976 2.37558 -60.69512 959.96299
3700.0000 -62.66629 -59.60175 3.06454 2.44148 -60.08746 1001.39235
3705.0000 -64.68074 -59.89285 4.78789 2.43765 -60.12276 1051.64213
3710.0000 -64.37137 -61.97787 2.39350 2.27335 -61.63770 884.01524
3715.0000 -65.21479 -62.17617 3.03862 2.23343 -62.00581 868.37185
3720.0000 -65.43064 -62.34746 3.08318 2.23922 -61.95243 849.82046
3725.0000 -65.07578 -61.51850 3.55728 2.20982 -62.22351 854.24751
3730.0000 -64.78870 -62.01453 2.77416 2.21579 -62.16844 869.57962
3735.0000 -65.18604 -61.38366 3.80238 2.22666 -62.06822 835.47534
3740.0000 -64.68589 -61.83930 2.84659 2.24087 -61.93726 831.05204
3745.0000 -63.87409 -60.44238 3.43171 2.40512 -60.42265 1050.86196
3750.0000 -65.59119 -62.49372 3.09747 2.30085 -61.38420 939.91707
FREEZING PROCESS: loop number 16 T-loop= 924.00000000000000
main_MD> interactions number 16 at Temperature= 924.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01179 -2.87535 -2.93937
force_rgl> df(natom) -0.65995 1.03668 -3.09541
3755.0000 -66.00526 -62.66873 3.33653 2.19148 -62.39265 801.56234
3760.0000 -66.53043 -63.38446 3.14597 2.10184 -63.21918 741.72511
3765.0000 -66.01833 -62.34757 3.67076 2.12181 -63.03509 740.40241
3770.0000 -63.93740 -61.18811 2.74929 2.24258 -61.92147 834.29910
3775.0000 -64.47144 -61.21442 3.25702 2.39633 -60.50371 984.23720
3780.0000 -64.97035 -62.22712 2.74323 2.26823 -61.68496 835.71221
3785.0000 -63.31417 -59.68929 3.62488 2.32426 -61.16826 921.95359
3790.0000 -64.08244 -60.79020 3.29223 2.39243 -60.53973 974.68201
3795.0000 -65.09838 -61.04809 4.05029 2.40694 -60.40588 1019.44257
3800.0000 -64.38035 -61.59250 2.78785 2.32592 -61.15301 905.52722
3805.0000 -64.30344 -60.52034 3.78310 2.31388 -61.26401 901.42729
3810.0000 -63.77139 -60.90863 2.86277 2.36629 -60.78071 963.20573
3815.0000 -64.11545 -61.10478 3.01067 2.41985 -60.28686 973.93781
3820.0000 -65.41392 -61.94302 3.47090 2.26651 -61.70081 829.76734
3825.0000 -64.42329 -60.88421 3.53908 2.25463 -61.81037 866.64839
3830.0000 -65.14485 -61.84160 3.30324 2.28511 -61.52927 854.19601
3835.0000 -63.82630 -60.92299 2.90331 2.27076 -61.66157 887.25327
3840.0000 -63.48404 -60.06944 3.41460 2.45052 -60.00410 1057.95283
3845.0000 -63.55107 -59.24446 4.30661 2.52223 -59.34283 1089.41305
3850.0000 -64.29378 -60.55694 3.73685 2.44542 -60.05109 1080.60076
3855.0000 -63.99481 -61.24548 2.74933 2.38812 -60.57948 942.49495
3860.0000 -63.55403 -60.37773 3.17630 2.35874 -60.85039 931.31738
3865.0000 -64.73917 -60.95152 3.78764 2.31880 -61.21867 956.26522
3870.0000 -63.29016 -59.73288 3.55727 2.40469 -60.42661 980.53419
3875.0000 -62.73395 -59.86170 2.87225 2.45859 -59.92969 1018.49082
3880.0000 -64.85658 -60.30342 4.55316 2.41868 -60.29762 1096.95758
3885.0000 -64.34590 -60.18474 4.16117 2.42119 -60.27448 1021.32152
3890.0000 -64.57637 -61.09335 3.48303 2.31678 -61.23730 936.85764
3895.0000 -63.51113 -60.97720 2.53393 2.33481 -61.07106 929.22676
3900.0000 -65.62072 -62.35929 3.26143 2.26360 -61.72763 878.87822
3905.0000 -65.57493 -62.96294 2.61199 2.15065 -62.76912 837.31080
3910.0000 -64.86979 -61.50090 3.36889 2.19300 -62.37861 834.25892
3915.0000 -64.46543 -61.00383 3.46159 2.21377 -62.18707 840.47875
3920.0000 -64.99577 -62.18866 2.80711 2.24212 -61.92574 848.78371
3925.0000 -64.90992 -61.44114 3.46878 2.31933 -61.21376 919.45028
3930.0000 -64.37538 -60.39991 3.97548 2.38002 -60.65412 956.47753
3935.0000 -63.87435 -60.41556 3.45879 2.38796 -60.58095 1007.73578
3940.0000 -62.83789 -59.40837 3.42952 2.44603 -60.04549 1035.26611
3945.0000 -63.99996 -61.10092 2.89904 2.38023 -60.65224 983.03078
3950.0000 -65.16322 -61.16843 3.99479 2.36403 -60.80157 948.94610
3955.0000 -64.35077 -60.91001 3.44077 2.31918 -61.21514 943.12963
3960.0000 -64.83450 -61.41075 3.42375 2.32371 -61.17340 926.57979
3965.0000 -64.97217 -62.15742 2.81475 2.26380 -61.72582 823.68397
3970.0000 -64.90939 -61.76350 3.14589 2.25096 -61.84417 876.36242
3975.0000 -65.10390 -61.42912 3.67479 2.23089 -62.02924 847.67238
3980.0000 -65.03897 -61.17976 3.85921 2.31533 -61.25062 946.91270
3985.0000 -63.81989 -60.66332 3.15657 2.41716 -60.31170 970.55203
3990.0000 -64.08146 -60.51899 3.56247 2.36063 -60.83293 935.63535
3995.0000 -63.32842 -59.53381 3.79461 2.39406 -60.52470 977.03469
4000.0000 -63.90546 -60.97403 2.93143 2.40317 -60.44067 1012.80145
FREEZING PROCESS: loop number 17 T-loop= 899.00000000000000
main_MD> interactions number 17 at Temperature= 899.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65806 1.83248 3.42048
force_rgl> df(natom) -2.31166 0.70902 -1.67082
4005.0000 -63.88542 -60.58613 3.29929 2.42020 -60.28363 1017.28810
4010.0000 -63.90809 -60.18676 3.72133 2.38286 -60.62792 985.64537
4015.0000 -62.49220 -58.49607 3.99613 2.50281 -59.52187 1092.45616
4020.0000 -63.29631 -59.96641 3.32990 2.55631 -59.02860 1110.34836
4025.0000 -64.87604 -60.90699 3.96905 2.42450 -60.24397 978.12282
4030.0000 -64.00275 -60.57869 3.42405 2.38118 -60.64341 993.25567
4035.0000 -64.80334 -61.69989 3.10345 2.33574 -61.06248 959.20527
4040.0000 -65.16334 -62.00285 3.16049 2.24223 -61.92464 812.52012
4045.0000 -64.85702 -61.40398 3.45304 2.25812 -61.77816 831.07752
4050.0000 -64.84231 -61.41735 3.42496 2.25705 -61.78806 884.01095
4055.0000 -64.02313 -60.46553 3.55760 2.36230 -60.81749 961.97581
4060.0000 -63.14563 -59.74876 3.39688 2.41131 -60.36558 1009.39126
4065.0000 -65.02314 -60.69417 4.32898 2.44826 -60.02492 1041.37792
4070.0000 -64.43837 -61.30985 3.12852 2.35593 -60.87627 975.92602
4075.0000 -65.13970 -61.63726 3.50243 2.31076 -61.29280 922.25265
4080.0000 -63.93701 -60.85079 3.08621 2.28884 -61.49493 888.24787
4085.0000 -64.11056 -60.75207 3.35849 2.29931 -61.39835 905.41423
4090.0000 -64.24595 -61.00687 3.23908 2.37734 -60.67881 948.16462
4095.0000 -65.00288 -61.50520 3.49769 2.22230 -62.10845 840.45962
4100.0000 -65.58059 -61.86003 3.72056 2.25419 -61.81444 861.45548
4105.0000 -64.79706 -62.19654 2.60052 2.29602 -61.42869 908.43295
4110.0000 -64.95853 -61.97392 2.98461 2.21243 -62.19945 841.82780
4115.0000 -64.50742 -61.43832 3.06910 2.27577 -61.61544 849.00645
4120.0000 -64.79423 -61.27647 3.51776 2.28899 -61.49350 922.23422
4125.0000 -65.17435 -60.95352 4.22083 2.31438 -61.25944 927.44483
4130.0000 -64.60099 -61.94289 2.65809 2.30441 -61.35134 918.69336
4135.0000 -64.60993 -60.60550 4.00443 2.34637 -60.96446 940.70273
4140.0000 -63.84182 -60.24445 3.59736 2.40218 -60.44982 970.70964
4145.0000 -63.96951 -60.89876 3.07075 2.42195 -60.26750 1028.54684
4150.0000 -64.17104 -61.09706 3.07398 2.30879 -61.31098 892.72131
4155.0000 -63.05660 -59.92172 3.13488 2.39065 -60.55615 1030.89392
4160.0000 -64.18686 -60.96878 3.21808 2.37536 -60.69711 934.90662
4165.0000 -64.19382 -61.14026 3.05356 2.35180 -60.91437 954.41002
4170.0000 -64.47082 -61.58521 2.88562 2.27317 -61.63937 879.37080
4175.0000 -64.60245 -62.12396 2.47849 2.27246 -61.64597 831.97859
4180.0000 -65.15974 -62.51787 2.64187 2.21643 -62.16262 859.04683
4185.0000 -65.30945 -62.05017 3.25928 2.20773 -62.24278 796.97978
4190.0000 -65.61256 -62.89592 2.71664 2.18526 -62.45000 783.77067
4195.0000 -65.40444 -62.89273 2.51170 2.11376 -63.10926 702.09018
4200.0000 -65.07086 -62.11097 2.95989 2.22647 -62.07002 824.59882
4205.0000 -65.00078 -61.62832 3.37246 2.25454 -61.81120 863.64118
4210.0000 -64.64554 -60.97950 3.66604 2.33835 -61.03840 983.90150
4215.0000 -64.98296 -62.48195 2.50101 2.27978 -61.57845 886.04920
4220.0000 -65.54075 -62.56800 2.97275 2.16388 -62.64711 807.11747
4225.0000 -65.27145 -62.91246 2.35899 2.15615 -62.71841 761.96341
4230.0000 -65.11400 -61.91764 3.19636 2.20419 -62.27548 824.04758
4235.0000 -64.60059 -61.59232 3.00827 2.20345 -62.28226 788.95747
4240.0000 -65.04712 -61.13329 3.91383 2.29236 -61.46245 879.03622
4245.0000 -64.52338 -60.24344 4.27994 2.34116 -61.01250 969.38465
4250.0000 -64.13872 -61.50087 2.63785 2.33366 -61.08157 915.20975
FREEZING PROCESS: loop number 18 T-loop= 874.00000000000000
main_MD> interactions number 18 at Temperature= 874.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65313 -2.91171 -2.13097
force_rgl> df(natom) -3.28989 -0.32850 2.76256
4255.0000 -65.35878 -61.53347 3.82531 2.25428 -61.81357 815.04158
4260.0000 -63.43000 -60.15643 3.27357 2.39866 -60.48223 956.08322
4265.0000 -63.43079 -60.82075 2.61005 2.45499 -59.96286 1049.16963
4270.0000 -63.81360 -60.56566 3.24794 2.33233 -61.09390 912.58519
4275.0000 -64.30892 -61.61612 2.69280 2.29922 -61.39921 873.32887
4280.0000 -64.42749 -61.82427 2.60322 2.27608 -61.61260 847.31566
4285.0000 -65.91680 -63.03824 2.87856 2.24155 -61.93099 854.67014
4290.0000 -65.06176 -61.80967 3.25209 2.17067 -62.58451 824.86419
4295.0000 -65.88688 -62.50585 3.38103 2.18135 -62.48603 815.82436
4300.0000 -64.98296 -61.43373 3.54923 2.25364 -61.81948 857.59230
4305.0000 -65.74784 -62.40651 3.34133 2.20928 -62.22850 831.97155
4310.0000 -65.62499 -62.24172 3.38327 2.16605 -62.62714 800.49317
4315.0000 -64.27669 -61.13949 3.13720 2.24446 -61.90411 854.44200
4320.0000 -65.03400 -61.22922 3.80479 2.29180 -61.46760 909.58711
4325.0000 -64.71990 -61.61470 3.10519 2.28931 -61.49061 871.05551
4330.0000 -65.46316 -61.99885 3.46431 2.25112 -61.84272 861.03824
4335.0000 -66.32556 -62.69956 3.62600 2.18841 -62.42094 829.50988
4340.0000 -63.81787 -61.22923 2.58864 2.23602 -61.98194 878.96643
4345.0000 -65.47262 -62.44834 3.02428 2.19126 -62.39465 817.47100
4350.0000 -64.41100 -61.59667 2.81433 2.24484 -61.90060 827.31470
4355.0000 -64.12094 -61.02069 3.10025 2.30762 -61.32169 900.02316
4360.0000 -65.00260 -61.50513 3.49747 2.34447 -60.98196 922.71025
4365.0000 -64.69504 -60.96362 3.73142 2.32964 -61.11867 898.52965
4370.0000 -64.96645 -62.10531 2.86114 2.25986 -61.76215 888.80441
4375.0000 -65.84686 -63.32891 2.51795 2.09949 -63.24090 742.53739
4380.0000 -64.82219 -61.95463 2.86756 2.17601 -62.53530 811.74953
4385.0000 -65.39364 -62.30901 3.08463 2.20564 -62.26206 827.83097
4390.0000 -66.28283 -64.05600 2.22683 2.09304 -63.30038 719.06324
4395.0000 -66.12822 -63.33814 2.79009 2.05646 -63.63768 701.19498
4400.0000 -65.57585 -62.33363 3.24222 2.18008 -62.49775 840.57079
4405.0000 -64.73554 -61.62020 3.11534 2.23714 -61.97164 785.37614
4410.0000 -64.78277 -61.57376 3.20901 2.26460 -61.71843 860.28925
4415.0000 -66.58976 -62.47827 4.11149 2.23081 -62.02999 828.61407
4420.0000 -64.95250 -62.19684 2.75565 2.16090 -62.67457 765.95456
4425.0000 -64.05681 -60.99548 3.06133 2.28724 -61.50968 914.77216
4430.0000 -64.74919 -60.97572 3.77347 2.32215 -61.18779 908.11427
4435.0000 -64.69232 -61.16169 3.53064 2.30153 -61.37789 922.32677
4440.0000 -64.60562 -61.70676 2.89885 2.25904 -61.76967 888.24335
4445.0000 -64.60463 -61.60845 2.99618 2.30024 -61.38978 901.38164
4450.0000 -63.80293 -60.41491 3.38803 2.29733 -61.41660 866.18972
4455.0000 -64.65296 -61.21155 3.44141 2.39562 -60.51033 982.06520
4460.0000 -65.35610 -62.52526 2.83084 2.23489 -61.99237 889.17559
4465.0000 -65.28936 -62.28661 3.00274 2.18095 -62.48974 803.79404
4470.0000 -63.69924 -60.26307 3.43617 2.29132 -61.47200 900.28387
4475.0000 -64.35690 -61.51721 2.83970 2.40092 -60.46146 976.40978
4480.0000 -64.82535 -61.89971 2.92565 2.26854 -61.68212 868.93996
4485.0000 -64.71943 -61.43751 3.28192 2.24612 -61.88884 852.61739
4490.0000 -63.20477 -60.15628 3.04849 2.35068 -60.92466 974.59310
4495.0000 -65.29693 -62.52004 2.77689 2.28330 -61.54598 925.41576
4500.0000 -65.84157 -62.68224 3.15932 2.24334 -61.91447 880.72733
FREEZING PROCESS: loop number 19 T-loop= 849.00000000000000
main_MD> interactions number 19 at Temperature= 849.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08196 -5.57486 0.89249
force_rgl> df(natom) -1.10538 -0.50147 2.04124
4505.0000 -65.97152 -63.22734 2.74418 2.14150 -62.85350 769.15979
4510.0000 -65.34275 -62.29856 3.04419 2.19156 -62.39195 856.63766
4515.0000 -64.08387 -61.47673 2.60714 2.26203 -61.74207 869.12383
4520.0000 -64.49907 -61.43848 3.06059 2.31718 -61.23356 928.51200
4525.0000 -63.91962 -61.16179 2.75783 2.26339 -61.72955 844.51816
4530.0000 -64.62407 -61.44711 3.17695 2.26756 -61.69113 886.64856
4535.0000 -64.67523 -61.33240 3.34283 2.25782 -61.78091 911.56028
4540.0000 -64.83567 -61.58895 3.24672 2.21934 -62.13573 828.96380
4545.0000 -64.76901 -61.62057 3.14844 2.28875 -61.49571 866.31923
4550.0000 -64.79330 -62.37352 2.41977 2.17041 -62.58692 762.04675
4555.0000 -65.10554 -61.52420 3.58134 2.27989 -61.57741 905.65408
4560.0000 -65.11098 -62.52252 2.58846 2.22521 -62.08162 805.18125
4565.0000 -65.52829 -62.33414 3.19415 2.18549 -62.44790 834.39514
4570.0000 -64.54398 -61.25084 3.29314 2.23338 -62.00627 819.12877
4575.0000 -65.71373 -61.99955 3.71418 2.29995 -61.39241 882.00270
4580.0000 -64.26721 -61.29964 2.96756 2.24157 -61.93080 862.03828
4585.0000 -65.51926 -61.73144 3.78782 2.28313 -61.54752 893.85902
4590.0000 -65.11108 -61.59720 3.51388 2.29490 -61.43906 912.51623
4595.0000 -64.81205 -61.66539 3.14665 2.23878 -61.95648 839.50108
4600.0000 -65.06408 -61.78067 3.28341 2.27599 -61.61337 889.79376
4605.0000 -65.20246 -62.81375 2.38872 2.14695 -62.80323 779.79773
4610.0000 -65.30240 -62.78070 2.52170 2.19136 -62.39379 780.77744
4615.0000 -64.66460 -61.52453 3.14007 2.22434 -62.08962 861.35554
4620.0000 -66.07561 -62.25654 3.81907 2.29324 -61.45434 939.58988
4625.0000 -65.25018 -62.16898 3.08119 2.21031 -62.21897 787.04554
4630.0000 -64.91035 -62.36876 2.54159 2.20089 -62.30584 837.46061
4635.0000 -66.18549 -62.58765 3.59783 2.19832 -62.32956 828.69747
4640.0000 -65.45988 -62.59075 2.86913 2.19072 -62.39962 798.30704
4645.0000 -65.07643 -62.03547 3.04097 2.21450 -62.18041 846.12009
4650.0000 -65.48884 -62.20111 3.28773 2.19465 -62.36339 839.92473
4655.0000 -64.90281 -61.44513 3.45768 2.25808 -61.77854 917.67241
4660.0000 -64.48357 -61.95718 2.52638 2.28248 -61.55356 849.81775
4665.0000 -65.35294 -62.66327 2.68968 2.20340 -62.28269 826.35340
4670.0000 -64.80235 -61.66440 3.13795 2.23652 -61.97732 835.79576
4675.0000 -65.41095 -61.93909 3.47186 2.24080 -61.93786 900.50364
4680.0000 -64.87781 -61.66208 3.21573 2.26541 -61.71092 877.99244
4685.0000 -64.27590 -61.90005 2.37584 2.27242 -61.64632 885.61345
4690.0000 -65.54381 -62.56381 2.98000 2.21297 -62.19453 834.95581
4695.0000 -65.29794 -62.56743 2.73051 2.17673 -62.52869 829.85917
4700.0000 -65.93580 -62.74465 3.19114 2.16317 -62.65364 772.21526
4705.0000 -64.99557 -61.80936 3.18621 2.17607 -62.53477 824.93484
4710.0000 -65.53235 -62.68150 2.85085 2.17076 -62.58370 780.11946
4715.0000 -64.81720 -62.10233 2.71487 2.20884 -62.23256 833.80733
4720.0000 -65.00544 -61.91737 3.08808 2.27455 -61.62665 923.01657
4725.0000 -65.54438 -62.80805 2.73633 2.18828 -62.42213 833.36658
4730.0000 -64.99780 -61.55818 3.43962 2.19605 -62.35054 806.84522
4735.0000 -64.27474 -60.65216 3.62258 2.33362 -61.08199 869.79721
4740.0000 -65.25498 -62.53350 2.72148 2.35235 -60.90932 977.80023
4745.0000 -63.56604 -61.01228 2.55377 2.29125 -61.47263 862.78611
4750.0000 -63.85248 -61.73645 2.11603 2.28958 -61.48808 828.48614
FREEZING PROCESS: loop number 20 T-loop= 824.00000000000000
main_MD> interactions number 20 at Temperature= 824.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.06044 0.84416 5.38735
force_rgl> df(natom) 1.23621 -2.18498 0.18778
4755.0000 -65.49876 -62.50223 2.99653 2.19768 -62.33543 809.42206
4760.0000 -65.47609 -62.31680 3.15929 2.16071 -62.67638 787.12796
4765.0000 -65.02518 -61.91062 3.11456 2.28289 -61.54979 876.21819
4770.0000 -65.04612 -61.02495 4.02116 2.28530 -61.52757 826.67349
4775.0000 -65.24106 -62.35461 2.88645 2.26329 -61.73046 827.84002
4780.0000 -65.09805 -61.60758 3.49046 2.24926 -61.85983 829.75198
4785.0000 -64.41606 -61.92505 2.49101 2.25455 -61.81105 857.11236
4790.0000 -65.57045 -62.16927 3.40118 2.21695 -62.15778 813.60929
4795.0000 -65.36707 -62.69601 2.67106 2.16534 -62.63371 827.21243
4800.0000 -65.08573 -61.38951 3.69622 2.27984 -61.57787 932.52653
4805.0000 -65.13496 -62.02775 3.10721 2.26335 -61.72992 886.65415
4810.0000 -66.30927 -63.50189 2.80738 2.13722 -62.89298 764.48816
4815.0000 -65.61173 -63.07075 2.54098 2.07352 -63.48035 677.02745
4820.0000 -66.12436 -62.70563 3.41873 2.10252 -63.21294 707.67046
4825.0000 -66.10108 -63.21668 2.88440 2.14968 -62.77805 757.64868
4830.0000 -65.68706 -62.62284 3.06422 2.11476 -63.10010 774.29142
4835.0000 -65.38811 -62.30347 3.08464 2.18180 -62.48186 788.11472
4840.0000 -64.46324 -62.00145 2.46179 2.24071 -61.93868 833.79758
4845.0000 -65.15291 -61.86476 3.28815 2.21289 -62.19526 817.24466
4850.0000 -64.23330 -62.09324 2.14006 2.29952 -61.39645 914.89323
4855.0000 -65.64500 -62.66647 2.97853 2.22600 -62.07436 859.44470
4860.0000 -64.57164 -61.78386 2.78778 2.19641 -62.34716 811.24471
4865.0000 -66.55809 -62.55700 4.00109 2.21885 -62.14029 844.83348
4870.0000 -64.84960 -62.12009 2.72951 2.24100 -61.93606 811.56320
4875.0000 -64.71734 -61.78728 2.93006 2.25097 -61.84410 849.92374
4880.0000 -64.66044 -62.32325 2.33719 2.22071 -62.12307 826.16759
4885.0000 -64.83599 -61.94701 2.88899 2.17679 -62.52808 765.41096
4890.0000 -64.68494 -61.42824 3.25670 2.29460 -61.44181 898.06860
4895.0000 -64.91840 -61.58795 3.33044 2.24044 -61.94118 851.97036
4900.0000 -65.08020 -62.34138 2.73882 2.23868 -61.95740 867.23858
4905.0000 -64.77278 -62.53318 2.23960 2.17066 -62.58463 759.12272
4910.0000 -65.16708 -62.70188 2.46519 2.18430 -62.45889 761.66652
4915.0000 -65.25940 -62.80016 2.45925 2.17938 -62.50419 745.53051
4920.0000 -65.33713 -61.69344 3.64369 2.25935 -61.76681 843.18031
4925.0000 -65.43752 -62.67530 2.76222 2.21146 -62.20844 817.46899
4930.0000 -65.23152 -62.58644 2.64508 2.17972 -62.50109 787.33462
4935.0000 -65.88072 -63.48505 2.39567 2.10948 -63.14877 729.63822
4940.0000 -65.94786 -63.56428 2.38358 2.08946 -63.33336 702.31766
4945.0000 -65.95911 -62.56195 3.39716 2.10245 -63.21354 750.09883
4950.0000 -66.33333 -63.09198 3.24135 2.12856 -62.97286 753.04194
4955.0000 -65.75651 -62.66738 3.08913 2.14380 -62.83232 790.40288
4960.0000 -66.03211 -63.17683 2.85528 2.13954 -62.87157 755.95533
4965.0000 -65.76464 -63.64904 2.11560 2.05949 -63.60968 692.10875
4970.0000 -64.69017 -62.04918 2.64099 2.17096 -62.58189 806.77810
4975.0000 -64.16577 -61.17673 2.98904 2.26354 -61.72820 878.05435
4980.0000 -64.58155 -61.99850 2.58305 2.27993 -61.57702 848.75746
4985.0000 -65.32265 -62.95249 2.37016 2.20418 -62.27552 812.85050
4990.0000 -64.67779 -61.31443 3.36336 2.19295 -62.37905 796.22581
4995.0000 -65.43936 -62.74415 2.69521 2.25138 -61.84031 875.45931
5000.0000 -64.69771 -61.14321 3.55449 2.26109 -61.75074 861.40908
FREEZING PROCESS: loop number 21 T-loop= 799.00000000000000
main_MD> interactions number 21 at Temperature= 799.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.40901 0.05475 -3.06273
force_rgl> df(natom) -1.41246 2.46681 0.85359
5005.0000 -64.17573 -62.00011 2.17562 2.27554 -61.61754 860.29770
5010.0000 -64.70871 -61.64216 3.06655 2.24663 -61.88412 827.35289
5015.0000 -64.45374 -61.71387 2.73987 2.29198 -61.46594 894.30507
5020.0000 -65.74734 -61.93980 3.80755 2.24961 -61.85659 834.73276
5025.0000 -63.37375 -59.41168 3.96207 2.37692 -60.68274 1019.67691
5030.0000 -64.06637 -61.57540 2.49097 2.34928 -60.93756 929.81868
5035.0000 -65.28802 -62.56046 2.72756 2.26195 -61.74281 829.62990
5040.0000 -65.69174 -62.61235 3.07940 2.19657 -62.34571 824.95213
5045.0000 -64.63795 -61.35267 3.28528 2.30053 -61.38712 932.84839
5050.0000 -63.66669 -61.14149 2.52520 2.32953 -61.11973 896.53028
5055.0000 -64.74538 -61.22457 3.52081 2.31515 -61.25230 924.21286
5060.0000 -64.87789 -62.00566 2.87223 2.28461 -61.53390 858.69494
5065.0000 -65.54655 -62.49827 3.04828 2.20235 -62.29238 804.12957
5070.0000 -66.14374 -63.53403 2.60971 2.12675 -62.98953 754.78216
5075.0000 -64.67914 -62.11208 2.56706 2.14518 -62.81961 752.09571
5080.0000 -64.52588 -61.52642 2.99946 2.24201 -61.92673 836.40220
5085.0000 -64.43087 -61.38442 3.04645 2.28601 -61.52099 860.62166
5090.0000 -65.08762 -62.23021 2.85742 2.25483 -61.80850 831.74918
5095.0000 -64.21438 -62.19996 2.01442 2.17904 -62.50737 750.36269
5100.0000 -65.20853 -62.03604 3.17250 2.21544 -62.17169 818.29438
5105.0000 -65.50016 -61.17250 4.32766 2.32404 -61.17029 937.56150
5110.0000 -64.45023 -61.45015 3.00008 2.30847 -61.31393 954.90433
5115.0000 -65.28443 -62.26861 3.01581 2.26644 -61.70145 797.96376
5120.0000 -65.96240 -62.37881 3.58358 2.24852 -61.86670 845.92831
5125.0000 -65.95896 -63.17483 2.78413 2.16187 -62.66569 773.91629
5130.0000 -65.75340 -62.96262 2.79078 2.10028 -63.23356 732.04184
5135.0000 -65.33759 -62.81163 2.52596 2.15479 -62.73092 771.25357
5140.0000 -65.45702 -62.73551 2.72151 2.17424 -62.55158 838.55065
5145.0000 -65.90507 -62.39062 3.51445 2.09465 -63.28550 739.98408
5150.0000 -64.63820 -61.88507 2.75313 2.25567 -61.80074 863.79902
5155.0000 -64.57653 -61.99238 2.58415 2.19094 -62.39767 757.53587
5160.0000 -64.82445 -62.38373 2.44072 2.16374 -62.64841 704.65077
5165.0000 -66.12792 -62.54868 3.57924 2.10179 -63.21963 684.53504
5170.0000 -65.99594 -63.38937 2.60657 2.14971 -62.77784 729.92180
5175.0000 -64.50606 -61.58761 2.91845 2.19741 -62.33794 797.52398
5180.0000 -64.71628 -61.64930 3.06698 2.23898 -61.95468 830.34530
5185.0000 -64.87910 -62.09877 2.78033 2.29018 -61.48254 867.64860
5190.0000 -65.64047 -62.28281 3.35766 2.27417 -61.63015 910.69128
5195.0000 -65.38850 -62.61287 2.77563 2.23534 -61.98826 930.73521
5200.0000 -65.93662 -63.24651 2.69012 2.13327 -62.92940 741.43249
5205.0000 -65.37218 -62.90437 2.46781 2.16504 -62.63648 789.88381
5210.0000 -66.28252 -63.53166 2.75086 2.06788 -63.53236 707.51369
5215.0000 -65.09555 -63.12079 1.97476 2.08024 -63.41841 726.42854
5220.0000 -65.62578 -63.00310 2.62267 2.13491 -62.91425 744.24719
5225.0000 -65.28092 -62.27450 3.00642 2.16302 -62.65511 782.99262
5230.0000 -66.14971 -63.26259 2.88712 2.15311 -62.74643 808.33672
5235.0000 -66.02268 -63.47367 2.54901 2.08155 -63.40633 722.45469
5240.0000 -65.59152 -63.34087 2.25065 2.11141 -63.13099 753.01833
5245.0000 -64.81007 -61.88634 2.92372 2.17494 -62.54518 786.92569
5250.0000 -64.69651 -62.13475 2.56176 2.22132 -62.11753 800.38010
FREEZING PROCESS: loop number 22 T-loop= 774.00000000000000
main_MD> interactions number 22 at Temperature= 774.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.46994 -1.34018 1.29963
force_rgl> df(natom) -6.15281 5.98329 -1.27468
5255.0000 -65.39235 -62.82934 2.56301 2.19310 -62.37768 837.36324
5260.0000 -65.24436 -62.47765 2.76671 2.16125 -62.67143 819.05953
5265.0000 -65.84864 -63.24226 2.60638 2.16516 -62.63530 754.16441
5270.0000 -65.97385 -63.14329 2.83057 2.06873 -63.52452 721.74003
5275.0000 -65.99155 -63.22338 2.76817 2.12724 -62.98501 750.33261
5280.0000 -66.16078 -63.99340 2.16738 2.03762 -63.81134 647.35946
5285.0000 -65.77173 -62.70704 3.06469 2.10129 -63.22424 764.71099
5290.0000 -67.10682 -63.93508 3.17175 2.07953 -63.42495 720.56137
5295.0000 -65.84496 -63.57687 2.26809 2.04729 -63.72218 675.83089
5300.0000 -65.86547 -62.85612 3.00935 2.11299 -63.11640 726.98957
5305.0000 -66.01271 -63.34483 2.66789 2.10897 -63.15344 717.12268
5310.0000 -65.04438 -62.51886 2.52551 2.12950 -62.96411 726.27339
5315.0000 -65.78508 -62.70764 3.07744 2.18811 -62.42370 760.85716
5320.0000 -64.16429 -61.32842 2.83587 2.24221 -61.92486 873.84620
5325.0000 -64.56187 -61.37867 3.18320 2.26579 -61.70746 848.56800
5330.0000 -64.85258 -62.33063 2.52195 2.23666 -61.97601 853.42395
5335.0000 -66.07642 -63.05692 3.01950 2.15522 -62.72695 787.22244
5340.0000 -65.62610 -62.51065 3.11545 2.16013 -62.68168 781.16226
5345.0000 -65.42752 -63.30009 2.12743 2.12324 -63.02187 725.99902
5350.0000 -66.19687 -63.52749 2.66938 2.09780 -63.25646 702.01505
5355.0000 -66.00483 -63.01850 2.98633 2.12198 -63.03351 738.57973
5360.0000 -64.95567 -62.82572 2.12996 2.18624 -62.44096 823.74315
5365.0000 -65.34168 -61.85587 3.48580 2.17845 -62.51282 809.28714
5370.0000 -65.80138 -63.16684 2.63454 2.14991 -62.77596 810.83386
5375.0000 -65.19540 -62.11881 3.07659 2.22994 -62.03802 843.40546
5380.0000 -65.84704 -62.52975 3.31729 2.21605 -62.16612 797.71247
5385.0000 -66.30166 -63.26857 3.03308 2.17658 -62.53000 775.17317
5390.0000 -65.09246 -62.95054 2.14191 2.13232 -62.93818 757.97128
5395.0000 -65.81641 -63.06496 2.75145 2.16568 -62.63055 822.11834
5400.0000 -65.87276 -62.26223 3.61052 2.17955 -62.50267 844.24266
5405.0000 -66.10286 -63.00850 3.09436 2.16698 -62.61856 784.89470
5410.0000 -64.82642 -62.84888 1.97754 2.13345 -62.92769 697.71921
5415.0000 -66.08672 -63.15530 2.93142 2.10216 -63.21627 733.28641
5420.0000 -66.15077 -63.33418 2.81659 2.08351 -63.38820 698.44796
5425.0000 -65.28065 -62.94437 2.33629 2.05924 -63.61205 686.82773
5430.0000 -65.64456 -63.42093 2.22363 2.07551 -63.46196 710.12285
5435.0000 -65.18526 -62.24609 2.93917 2.20058 -62.30873 855.52504
5440.0000 -64.85183 -61.68672 3.16511 2.25067 -61.84688 873.46918
5445.0000 -64.62642 -61.51699 3.10942 2.28027 -61.57394 862.76177
5450.0000 -65.03930 -62.18199 2.85731 2.20549 -62.26345 810.47856
5455.0000 -65.27012 -61.58837 3.68176 2.30704 -61.32707 914.59493
5460.0000 -65.33913 -62.41892 2.92021 2.22038 -62.12614 827.75660
5465.0000 -65.31994 -62.51250 2.80744 2.19413 -62.36817 778.25645
5470.0000 -64.77154 -62.70685 2.06469 2.14669 -62.80560 744.22214
5475.0000 -65.32575 -62.03601 3.28973 2.21128 -62.21003 782.51739
5480.0000 -64.23059 -61.84925 2.38134 2.24046 -61.94098 795.55852
5485.0000 -66.12746 -63.27814 2.84931 2.21033 -62.21880 798.37990
5490.0000 -65.82057 -63.18859 2.63198 2.09274 -63.30308 728.45097
5495.0000 -65.86189 -62.67309 3.18880 2.18168 -62.48296 760.38255
5500.0000 -65.19359 -63.07764 2.11595 2.11504 -63.09744 762.73032
FREEZING PROCESS: loop number 23 T-loop= 749.00000000000000
main_MD> interactions number 23 at Temperature= 749.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.53737 -1.62168 -3.93556
force_rgl> df(natom) -6.11663 0.65507 0.25018
5505.0000 -65.39667 -62.88352 2.51316 2.14135 -62.85491 759.68888
5510.0000 -65.99498 -63.84660 2.14838 2.07976 -63.42279 716.11151
5515.0000 -66.49998 -64.27559 2.22439 2.02385 -63.93838 649.17388
5520.0000 -65.82940 -63.08346 2.74594 2.01195 -64.04804 664.36653
5525.0000 -66.02197 -63.66654 2.35544 2.08808 -63.34608 704.25529
5530.0000 -66.85780 -63.84699 3.01081 2.01001 -64.06596 675.77777
5535.0000 -65.93388 -63.37292 2.56096 2.06612 -63.54860 710.88268
5540.0000 -65.84695 -63.35562 2.49132 2.06591 -63.55053 682.39642
5545.0000 -65.53928 -63.37528 2.16400 2.09255 -63.30486 662.36383
5550.0000 -65.69378 -63.30521 2.38857 2.06436 -63.56477 643.28564
5555.0000 -65.97789 -63.92626 2.05162 2.04019 -63.78767 661.29797
5560.0000 -64.47482 -61.92256 2.55226 2.14896 -62.78470 781.06385
5565.0000 -65.42050 -63.09212 2.32838 2.18324 -62.46867 812.27694
5570.0000 -65.15055 -61.33770 3.81285 2.17605 -62.53491 803.41685
5575.0000 -65.84550 -62.83846 3.00704 2.26203 -61.74214 881.14924
5580.0000 -65.78923 -63.37454 2.41470 2.05270 -63.67229 656.77497
5585.0000 -66.75269 -64.33668 2.41600 2.04366 -63.75565 690.44148
5590.0000 -66.15076 -63.92405 2.22671 2.01884 -63.98457 633.19351
5595.0000 -65.76609 -61.98675 3.77934 2.11877 -63.06305 758.68374
5600.0000 -65.33569 -63.28339 2.05230 2.16131 -62.67086 811.53909
5605.0000 -65.64250 -63.12307 2.51943 2.10161 -63.22132 699.76705
5610.0000 -65.24727 -62.99388 2.25339 2.10901 -63.15312 676.84761
5615.0000 -66.24473 -64.19136 2.05337 2.10553 -63.18515 735.27192
5620.0000 -66.81497 -64.16037 2.65460 2.02302 -63.94603 660.48582
5625.0000 -65.89990 -63.33310 2.56680 2.03912 -63.79756 674.63430
5630.0000 -65.24488 -62.94100 2.30388 2.14545 -62.81709 769.49846
5635.0000 -65.72696 -62.54282 3.18414 2.18940 -62.41183 764.86582
5640.0000 -65.47736 -63.17669 2.30067 2.18674 -62.43630 814.00928
5645.0000 -65.27684 -62.77498 2.50186 2.10298 -63.20870 684.23220
5650.0000 -65.87930 -62.70638 3.17293 2.11402 -63.10687 748.43138
5655.0000 -65.09992 -62.09584 3.00408 2.20196 -62.29600 861.84811
5660.0000 -65.90867 -63.18784 2.72083 2.16173 -62.66698 788.38951
5665.0000 -66.04670 -63.55060 2.49610 2.10740 -63.16792 751.59866
5670.0000 -65.41197 -62.87701 2.53496 2.12182 -63.03498 743.26446
5675.0000 -65.62882 -62.93615 2.69268 2.15317 -62.74590 761.82284
5680.0000 -65.44979 -62.65550 2.79429 2.16514 -62.63553 755.39256
5685.0000 -66.21319 -63.77793 2.43526 2.10984 -63.14542 683.69990
5690.0000 -66.20719 -63.12924 3.07795 2.05129 -63.68532 636.05341
5695.0000 -66.37562 -63.79066 2.58496 2.07814 -63.43772 719.24515
5700.0000 -65.64465 -62.68244 2.96221 2.13784 -62.88725 800.01365
5705.0000 -66.05111 -64.10819 1.94292 2.11298 -63.11652 746.40997
5710.0000 -66.59057 -64.22429 2.36628 2.04608 -63.73337 694.36734
5715.0000 -66.01756 -63.07019 2.94736 2.03353 -63.84911 650.70163
5720.0000 -66.22299 -63.67026 2.55273 2.10263 -63.21194 735.07296
5725.0000 -66.27514 -63.38611 2.88903 2.09048 -63.32397 757.84913
5730.0000 -66.98527 -64.27599 2.70928 2.01199 -64.04771 621.66680
5735.0000 -65.51475 -63.10131 2.41343 2.08090 -63.41225 695.84436
5740.0000 -65.32984 -63.12194 2.20790 2.12223 -63.03120 669.96421
5745.0000 -65.82222 -62.59170 3.23052 2.14234 -62.84577 764.42671
5750.0000 -65.69821 -62.99455 2.70366 2.23948 -61.95005 897.94549
FREEZING PROCESS: loop number 24 T-loop= 724.00000000000000
main_MD> interactions number 24 at Temperature= 724.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85017 -0.39700 2.71488
force_rgl> df(natom) -1.11182 -0.91417 -3.07408
5755.0000 -65.18226 -62.33864 2.84362 2.17485 -62.54602 741.16657
5760.0000 -65.49062 -62.71285 2.77777 2.19155 -62.39198 775.41693
5765.0000 -65.73560 -63.06491 2.67069 2.02643 -63.91456 632.37979
5770.0000 -64.72075 -62.26773 2.45302 2.14486 -62.82248 747.38417
5775.0000 -65.10765 -62.54764 2.56001 2.13225 -62.93878 713.47002
5780.0000 -65.48290 -62.70483 2.77807 2.13698 -62.89522 722.72587
5785.0000 -66.48301 -63.41776 3.06526 2.11073 -63.13726 733.96976
5790.0000 -65.30825 -62.83037 2.47787 2.10236 -63.21436 700.56672
5795.0000 -66.58413 -63.67253 2.91160 2.14813 -62.79239 793.11194
5800.0000 -65.81145 -63.53041 2.28104 2.05932 -63.61131 699.64341
5805.0000 -65.31183 -62.75245 2.55938 2.06873 -63.52446 683.57731
5810.0000 -65.68251 -63.34907 2.33345 2.12741 -62.98342 748.96968
5815.0000 -66.46128 -64.16944 2.29184 2.05944 -63.61013 670.82584
5820.0000 -66.09759 -63.23605 2.86155 2.05483 -63.65272 661.96108
5825.0000 -66.71147 -64.11631 2.59516 2.13274 -62.93428 737.06947
5830.0000 -66.13307 -64.07279 2.06028 2.01349 -64.03382 634.72888
5835.0000 -66.86035 -64.25186 2.60850 2.00428 -64.11882 630.01674
5840.0000 -66.85075 -64.26537 2.58538 1.99806 -64.17616 670.18248
5845.0000 -66.50059 -64.30261 2.19799 1.98652 -64.28251 633.71715
5850.0000 -66.04038 -63.61498 2.42540 1.96617 -64.47021 609.74802
5855.0000 -65.42444 -63.08851 2.33592 2.08620 -63.36345 720.18270
5860.0000 -65.27853 -61.91779 3.36073 2.20065 -62.30810 816.32069
5865.0000 -64.44184 -62.23040 2.21144 2.23718 -61.97120 821.37913
5870.0000 -66.47904 -64.20452 2.27452 2.12248 -63.02890 736.90191
5875.0000 -66.29950 -63.18904 3.11046 2.02567 -63.92155 698.25068
5880.0000 -65.62065 -62.84303 2.77761 2.16308 -62.65453 795.65578
5885.0000 -65.38560 -62.39224 2.99337 2.16362 -62.64950 741.68670
5890.0000 -66.17528 -63.41419 2.76109 2.13346 -62.92761 760.69377
5895.0000 -65.53874 -63.15575 2.38299 2.06955 -63.51693 671.70401
5900.0000 -65.36041 -62.11380 3.24661 2.19195 -62.38835 791.39946
5905.0000 -65.42458 -63.02962 2.39496 2.22699 -62.06521 824.80287
5910.0000 -66.84047 -64.06947 2.77100 2.11020 -63.14214 750.44185
5915.0000 -66.61331 -64.26213 2.35118 1.98161 -64.32779 609.57293
5920.0000 -66.03452 -63.83815 2.19636 2.04436 -63.74926 661.64266
5925.0000 -65.78648 -63.80829 1.97819 2.03334 -63.85085 689.69194
5930.0000 -66.15447 -63.44509 2.70939 2.07479 -63.46867 687.92972
5935.0000 -66.31570 -63.82013 2.49556 2.05059 -63.69179 667.40312
5940.0000 -65.12614 -63.08240 2.04374 2.08846 -63.34260 694.58106
5945.0000 -65.28800 -62.92609 2.36191 2.11132 -63.13178 714.48863
5950.0000 -66.21551 -63.49290 2.72261 2.09951 -63.24073 723.28133
5955.0000 -66.08115 -63.18889 2.89226 2.08603 -63.36497 710.39323
5960.0000 -65.02138 -61.99192 3.02946 2.14218 -62.84726 772.96436
5965.0000 -65.77826 -63.47620 2.30206 2.12956 -62.96361 745.22776
5970.0000 -66.48327 -63.62672 2.85655 2.05505 -63.65064 692.31652
5975.0000 -65.33809 -62.96644 2.37165 2.08112 -63.41030 704.74344
5980.0000 -66.17134 -63.48882 2.68252 2.09640 -63.26940 703.11362
5985.0000 -65.50010 -62.82305 2.67705 2.09553 -63.27742 748.92338
5990.0000 -66.81909 -64.92515 1.89393 2.04720 -63.72302 702.87702
5995.0000 -66.56074 -63.42320 3.13755 2.01106 -64.05626 659.99342
6000.0000 -66.21521 -63.97008 2.24513 2.05521 -63.64913 699.29114
FREEZING PROCESS: loop number 25 T-loop= 699.00000000000000
main_MD> interactions number 25 at Temperature= 699.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85365 0.03051 -0.67736
force_rgl> df(natom) 7.57985 -4.82757 0.51868
6005.0000 -65.23323 -62.78806 2.44518 2.04224 -63.76880 658.96849
6010.0000 -66.01781 -63.21997 2.79784 2.10904 -63.15282 730.15154
6015.0000 -65.74158 -63.71027 2.03132 2.08343 -63.38897 714.05684
6020.0000 -66.40649 -63.82420 2.58229 2.00713 -64.09250 659.20255
6025.0000 -66.81425 -64.52949 2.28476 1.98963 -64.25387 610.81263
6030.0000 -66.22911 -64.29533 1.93379 1.99161 -64.23564 633.03476
6035.0000 -66.78112 -64.34047 2.44065 1.98607 -64.28666 633.63901
6040.0000 -65.58441 -62.84451 2.73990 2.04344 -63.75767 687.32346
6045.0000 -66.10080 -63.69863 2.40217 2.11181 -63.12730 752.42866
6050.0000 -66.23066 -63.21556 3.01510 2.08979 -63.33028 730.45917
6055.0000 -66.04325 -63.36396 2.67929 2.10832 -63.15941 733.80669
6060.0000 -66.35625 -63.69206 2.66419 2.06143 -63.59179 710.22772
6065.0000 -66.30622 -64.20112 2.10510 2.04755 -63.71981 662.42738
6070.0000 -66.55733 -64.49647 2.06086 1.97213 -64.41528 604.13138
6075.0000 -66.73301 -63.96005 2.77297 2.00350 -64.12598 647.64458
6080.0000 -66.41275 -64.68786 1.72489 1.94117 -64.70067 564.92212
6085.0000 -66.37062 -63.91121 2.45941 1.98910 -64.25877 600.75580
6090.0000 -66.22814 -63.49178 2.73637 2.03570 -63.82911 708.21518
6095.0000 -66.12789 -63.25661 2.87129 2.02689 -63.91030 700.97776
6100.0000 -65.53271 -62.87828 2.65442 2.13494 -62.91401 750.09953
6105.0000 -65.24225 -63.08507 2.15718 2.14507 -62.82058 746.69158
6110.0000 -65.79423 -63.82050 1.97373 2.08156 -63.40617 691.74295
6115.0000 -66.64259 -64.28144 2.36115 2.02070 -63.96735 624.95048
6120.0000 -66.75906 -64.71567 2.04339 1.99163 -64.23544 611.95185
6125.0000 -66.49697 -64.27569 2.22129 1.97787 -64.36233 631.25357
6130.0000 -67.06822 -64.28936 2.77886 1.93916 -64.71926 584.19390
6135.0000 -66.74750 -64.22523 2.52227 1.98141 -64.32969 618.25937
6140.0000 -65.53687 -63.64689 1.88998 2.02009 -63.97299 586.87787
6145.0000 -66.37182 -63.68010 2.69172 2.09100 -63.31915 727.93690
6150.0000 -65.99773 -63.26061 2.73712 2.08146 -63.40714 691.28995
6155.0000 -66.81054 -64.41203 2.39851 2.01115 -64.05541 630.14276
6160.0000 -65.85099 -63.48485 2.36614 1.98512 -64.29545 644.37804
6165.0000 -66.21699 -63.93704 2.27995 2.06812 -63.53010 714.07403
6170.0000 -66.17115 -63.91719 2.25397 2.03014 -63.88031 635.40581
6175.0000 -65.75373 -63.04467 2.70906 2.07538 -63.46322 733.37819
6180.0000 -66.00825 -63.04625 2.96200 2.06648 -63.54525 720.37056
6185.0000 -65.63944 -63.35768 2.28176 2.09069 -63.32206 709.40540
6190.0000 -66.13574 -63.26617 2.86958 2.10945 -63.14907 735.46370
6195.0000 -65.33128 -63.05650 2.27478 2.06087 -63.59697 714.93477
6200.0000 -65.77130 -63.76950 2.00179 2.05180 -63.68060 668.55515
6205.0000 -66.54428 -63.42197 3.12231 2.10474 -63.19250 727.82903
6210.0000 -65.01672 -62.23312 2.78360 2.11775 -63.07246 729.81636
6215.0000 -66.44710 -63.80792 2.63917 2.07457 -63.47062 650.52704
6220.0000 -65.29530 -63.54218 1.75312 2.03316 -63.85252 631.34260
6225.0000 -66.76572 -63.37769 3.38803 2.08172 -63.40469 683.87413
6230.0000 -66.23177 -63.42152 2.81025 2.07266 -63.48826 728.62612
6235.0000 -66.71302 -63.40908 3.30394 2.08143 -63.40740 736.62278
6240.0000 -66.75589 -64.40064 2.35526 2.03868 -63.80158 676.65054
6245.0000 -65.99936 -63.48545 2.51391 2.02153 -63.95975 646.36114
6250.0000 -65.98557 -63.76887 2.21670 2.06189 -63.58760 708.05400
FREEZING PROCESS: loop number 26 T-loop= 674.00000000000000
main_MD> interactions number 26 at Temperature= 674.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.44983 -2.30442 -1.81778
force_rgl> df(natom) -0.99659 -0.17091 2.12006
6255.0000 -66.69830 -63.76902 2.92927 2.10868 -63.15611 758.19613
6260.0000 -66.03248 -63.81891 2.21357 2.02977 -63.88372 610.49236
6265.0000 -66.42630 -64.10121 2.32509 2.01750 -63.99692 675.56372
6270.0000 -66.39551 -64.05968 2.33583 2.01297 -64.03863 667.15221
6275.0000 -66.55516 -64.37119 2.18397 1.98008 -64.34191 628.41024
6280.0000 -66.13859 -63.83315 2.30545 2.01201 -64.04754 658.29305
6285.0000 -66.03814 -64.13545 1.90269 1.98845 -64.26473 646.80248
6290.0000 -65.87383 -63.44199 2.43185 2.06482 -63.56055 674.85021
6295.0000 -65.68181 -63.26682 2.41499 2.06653 -63.54483 695.63494
6300.0000 -66.92730 -64.30022 2.62708 2.01183 -64.04918 656.16884
6305.0000 -66.54439 -63.89954 2.64484 2.02950 -63.88623 668.60763
6310.0000 -66.28698 -63.47425 2.81273 2.09501 -63.28219 733.18182
6315.0000 -66.26644 -63.94944 2.31700 2.06220 -63.58476 731.86448
6320.0000 -66.51118 -64.19955 2.31163 2.01694 -64.00203 631.90500
6325.0000 -66.88150 -64.67814 2.20336 2.01033 -64.06301 630.31313
6330.0000 -67.11773 -64.93203 2.18570 1.89183 -65.15568 533.48935
6335.0000 -67.43873 -65.06238 2.37635 1.89321 -65.14298 545.01021
6340.0000 -67.04754 -64.35947 2.68807 1.92736 -64.82808 568.88533
6345.0000 -66.18142 -64.48042 1.70100 1.97532 -64.38583 597.29306
6350.0000 -66.15958 -63.64065 2.51893 2.02996 -63.88202 666.54366
6355.0000 -66.43979 -64.30997 2.12982 1.99358 -64.21747 633.40570
6360.0000 -66.69925 -64.04536 2.65389 1.99612 -64.19404 641.26978
6365.0000 -65.71067 -63.10486 2.60581 2.08030 -63.41783 709.64721
6370.0000 -66.27685 -63.63509 2.64177 2.09696 -63.26419 764.86404
6375.0000 -65.28970 -62.80181 2.48788 2.12500 -63.00561 735.15914
6380.0000 -65.61645 -62.74897 2.86748 2.09317 -63.29911 727.54078
6385.0000 -66.70501 -63.27905 3.42596 2.09236 -63.30660 761.12922
6390.0000 -66.49689 -64.49061 2.00628 2.03924 -63.79640 653.09282
6395.0000 -66.11605 -63.95896 2.15708 2.00058 -64.15288 645.74163
6400.0000 -66.47583 -63.96994 2.50589 1.99985 -64.15967 599.15568
6405.0000 -66.42038 -64.25045 2.16993 1.97878 -64.35393 639.11459
6410.0000 -66.48149 -64.06677 2.41472 2.01825 -63.98998 665.46757
6415.0000 -66.36956 -63.39841 2.97115 2.01829 -63.98965 666.24718
6420.0000 -66.65566 -62.99660 3.65906 2.09740 -63.26018 744.92452
6425.0000 -65.56698 -63.07307 2.49391 2.10497 -63.19031 713.86561
6430.0000 -66.79894 -64.69105 2.10790 2.02506 -63.92717 656.07703
6435.0000 -66.97514 -64.36541 2.60972 1.99059 -64.24503 612.05322
6440.0000 -65.85096 -62.93402 2.91695 2.03352 -63.84919 665.59723
6445.0000 -66.16876 -63.45737 2.71139 2.06959 -63.51657 657.18000
6450.0000 -65.50036 -63.33478 2.16558 2.13926 -62.87419 748.93845
6455.0000 -65.35748 -62.75925 2.59824 2.14117 -62.85652 774.64859
6460.0000 -66.21506 -64.12401 2.09106 2.08563 -63.36871 698.62756
6465.0000 -66.71551 -64.60373 2.11178 1.97873 -64.35439 607.90713
6470.0000 -66.71614 -64.62101 2.09514 1.92963 -64.80710 557.47199
6475.0000 -66.37694 -63.78370 2.59323 1.96743 -64.45858 613.38330
6480.0000 -66.93632 -64.16566 2.77066 2.03176 -63.86539 658.57787
6485.0000 -66.45901 -64.24773 2.21128 1.98177 -64.32631 617.50124
6490.0000 -65.28678 -62.02872 3.25806 2.09679 -63.26574 746.76919
6495.0000 -66.48251 -63.22434 3.25817 2.16906 -62.59941 792.78866
6500.0000 -65.86881 -62.97548 2.89333 2.11340 -63.11258 737.30934
FREEZING PROCESS: loop number 27 T-loop= 649.00000000000000
main_MD> interactions number 27 at Temperature= 649.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.35654 -1.08627 -1.58852
force_rgl> df(natom) 1.74150 -1.80757 -0.27896
6505.0000 -65.42130 -62.76171 2.65960 2.10371 -63.20194 684.90191
6510.0000 -65.84154 -63.32583 2.51570 2.11014 -63.14270 727.53485
6515.0000 -65.45560 -63.25246 2.20314 2.03075 -63.87467 625.77512
6520.0000 -66.03637 -63.44401 2.59236 2.11479 -63.09976 716.93987
6525.0000 -66.32968 -63.75410 2.57558 2.04127 -63.77768 672.30222
6530.0000 -66.53766 -64.01622 2.52144 2.02577 -63.92061 667.85524
6535.0000 -67.09094 -64.85065 2.24029 2.00400 -64.12136 656.95280
6540.0000 -67.19048 -65.12422 2.06626 1.90511 -65.03324 524.31384
6545.0000 -66.82450 -64.40011 2.42439 1.95971 -64.52976 593.64293
6550.0000 -66.32189 -64.25364 2.06825 1.94887 -64.62976 591.87026
6555.0000 -67.00610 -64.54391 2.46219 1.95053 -64.61444 591.25296
6560.0000 -66.55230 -63.88757 2.66473 1.96679 -64.46452 642.16162
6565.0000 -66.96704 -64.94534 2.02170 1.94054 -64.70657 590.88194
6570.0000 -66.87777 -64.10155 2.77623 1.94942 -64.62468 603.33826
6575.0000 -66.68775 -64.08268 2.60507 1.98888 -64.26076 641.89290
6580.0000 -66.71406 -63.97016 2.74390 2.01708 -64.00079 637.47622
6585.0000 -66.07209 -63.77501 2.29708 2.02109 -63.96377 663.00820
6590.0000 -65.95859 -63.06595 2.89265 2.04461 -63.74694 640.45701
6595.0000 -65.99019 -63.73520 2.25499 2.06144 -63.59177 708.68860
6600.0000 -66.56491 -64.06979 2.49511 2.00078 -64.15103 639.73124
6605.0000 -66.79279 -64.36288 2.42991 1.99095 -64.24169 664.73384
6610.0000 -66.48758 -63.87725 2.61032 2.03913 -63.79746 692.72777
6615.0000 -67.20652 -64.79543 2.41109 1.97593 -64.38023 615.47003
6620.0000 -67.07566 -64.27528 2.80038 1.97622 -64.37757 587.68744
6625.0000 -65.81149 -64.15709 1.65441 1.99870 -64.17027 628.35436
6630.0000 -65.98958 -63.98861 2.00097 2.00571 -64.10556 637.76651
6635.0000 -66.49973 -63.95026 2.54946 2.05802 -63.62322 694.07069
6640.0000 -65.57916 -63.11018 2.46898 2.04344 -63.75767 622.45739
6645.0000 -65.75794 -63.38935 2.36859 2.05974 -63.60736 706.66295
6650.0000 -66.56414 -63.93089 2.63325 2.06762 -63.53474 683.81695
6655.0000 -66.06062 -63.86865 2.19196 2.01113 -64.05561 640.78861
6660.0000 -66.38824 -63.65468 2.73355 2.06176 -63.58881 683.50670
6665.0000 -66.00992 -63.08831 2.92162 2.07515 -63.46527 716.72005
6670.0000 -66.89895 -64.33834 2.56061 2.00718 -64.09203 646.87497
6675.0000 -66.34954 -64.14657 2.20298 2.02908 -63.89015 664.99077
6680.0000 -65.92478 -63.86500 2.05978 2.01010 -64.06508 606.49193
6685.0000 -66.28009 -63.97904 2.30106 2.06048 -63.60055 710.08669
6690.0000 -66.91195 -64.81633 2.09562 1.97272 -64.40978 618.39443
6695.0000 -67.26894 -65.26316 2.00577 1.86292 -65.42224 507.46951
6700.0000 -66.84603 -64.71960 2.12643 1.87104 -65.34740 499.44850
6705.0000 -66.61954 -63.85283 2.76671 1.95346 -64.58739 608.72365
6710.0000 -66.60823 -64.42091 2.18732 1.94955 -64.62342 595.07052
6715.0000 -66.63720 -63.73540 2.90180 2.00405 -64.12087 658.83126
6720.0000 -65.60027 -63.49516 2.10511 2.05338 -63.66605 657.82465
6725.0000 -66.01573 -63.58231 2.43342 2.02429 -63.93429 664.55315
6730.0000 -66.34604 -64.26434 2.08170 2.05596 -63.64223 713.79368
6735.0000 -66.35761 -63.75170 2.60591 1.99944 -64.16343 641.35764
6740.0000 -66.31865 -63.68043 2.63822 2.07888 -63.43091 683.36085
6745.0000 -66.24808 -64.48966 1.75842 2.01265 -64.04159 663.22039
6750.0000 -66.83336 -63.92766 2.90570 2.00045 -64.15413 623.45155
FREEZING PROCESS: loop number 28 T-loop= 624.00000000000000
main_MD> interactions number 28 at Temperature= 624.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06466 -2.48450 1.35163
force_rgl> df(natom) -0.80924 0.32489 -0.84131
6755.0000 -66.87671 -64.37612 2.50060 2.02705 -63.90885 654.36175
6760.0000 -66.95110 -64.62626 2.32484 1.95164 -64.60416 585.15603
6765.0000 -66.32876 -64.29019 2.03857 1.93904 -64.72040 592.83889
6770.0000 -67.41117 -65.28513 2.12604 1.94213 -64.69190 573.74563
6775.0000 -67.59998 -65.79392 1.80606 1.86130 -65.43721 488.46491
6780.0000 -66.77112 -65.53079 1.24033 1.86643 -65.38992 505.75618
6785.0000 -66.73786 -65.09534 1.64252 1.86310 -65.42060 488.65004
6790.0000 -67.25907 -65.30900 1.95007 1.90882 -64.99904 541.47027
6795.0000 -66.13588 -63.44556 2.69032 1.97200 -64.41646 623.95330
6800.0000 -66.14775 -63.65390 2.49386 2.08628 -63.36271 742.26363
6805.0000 -66.29867 -64.32345 1.97521 2.02263 -63.94956 663.10720
6810.0000 -66.84529 -64.04638 2.79892 1.99925 -64.16515 637.20755
6815.0000 -66.10099 -63.45644 2.64455 2.05356 -63.66435 679.44909
6820.0000 -65.99561 -63.93248 2.06313 2.05546 -63.64685 699.36671
6825.0000 -66.26555 -63.58955 2.67599 2.02716 -63.90782 651.79414
6830.0000 -66.38662 -64.55461 1.83202 2.06676 -63.54269 687.02743
6835.0000 -67.13059 -65.01448 2.11611 1.91086 -64.98020 558.06844
6840.0000 -67.07486 -65.14579 1.92906 1.90837 -65.00319 557.49240
6845.0000 -67.23929 -64.40083 2.83846 1.97435 -64.39473 647.04520
6850.0000 -66.18291 -63.56586 2.61705 2.06104 -63.59538 705.46756
6855.0000 -66.15692 -63.72253 2.43439 2.03198 -63.86338 634.53326
6860.0000 -66.72901 -64.63664 2.09237 2.01814 -63.99100 661.34877
6865.0000 -66.84332 -64.87394 1.96938 1.94515 -64.66399 596.58288
6870.0000 -66.36247 -64.11264 2.24982 1.97393 -64.39862 612.19511
6875.0000 -66.41758 -63.77681 2.64077 2.00344 -64.12656 640.65719
6880.0000 -65.81869 -63.79039 2.02830 2.03620 -63.82442 666.14776
6885.0000 -66.93500 -64.82370 2.11130 1.95402 -64.58223 586.14058
6890.0000 -66.32797 -63.98465 2.34332 1.98883 -64.26126 624.78762
6895.0000 -67.22087 -65.73623 1.48464 1.89831 -65.09588 537.84077
6900.0000 -66.73663 -64.31594 2.42070 1.86690 -65.38557 495.93473
6905.0000 -67.18906 -65.15204 2.03702 1.99258 -64.22665 633.37507
6910.0000 -67.25902 -65.01649 2.24254 1.87896 -65.27439 543.25910
6915.0000 -66.05745 -64.18393 1.87352 1.94123 -64.70015 592.47659
6920.0000 -66.03222 -63.94377 2.08845 1.99558 -64.19898 613.50591
6925.0000 -65.87634 -63.05081 2.82553 2.12432 -63.01193 741.01371
6930.0000 -65.07789 -62.54074 2.53715 2.11565 -63.09186 677.30995
6935.0000 -65.90627 -63.07204 2.83423 2.12551 -63.00096 702.51197
6940.0000 -65.54314 -63.26080 2.28234 2.09436 -63.28813 713.16760
6945.0000 -66.20217 -62.88811 3.31406 2.10060 -63.23067 757.01895
6950.0000 -66.55778 -64.29044 2.26734 2.05402 -63.66019 690.14659
6955.0000 -66.87124 -64.66388 2.20737 1.94383 -64.67619 575.64192
6960.0000 -66.29739 -64.49379 1.80360 1.94482 -64.66704 556.73500
6965.0000 -65.66110 -63.47103 2.19007 2.02407 -63.93633 628.00422
6970.0000 -65.82726 -63.48801 2.33925 2.09357 -63.29550 677.89283
6975.0000 -67.00352 -64.68518 2.31835 2.05735 -63.62945 688.28599
6980.0000 -66.37261 -63.96433 2.40828 1.96344 -64.49541 593.76650
6985.0000 -66.66587 -64.68670 1.97917 1.97015 -64.43349 626.94942
6990.0000 -66.66990 -64.58768 2.08222 1.90020 -65.07848 521.13962
6995.0000 -66.02577 -63.77498 2.25079 2.01819 -63.99057 662.70517
7000.0000 -66.38364 -64.04227 2.34138 2.04264 -63.76504 657.00353
FREEZING PROCESS: loop number 29 T-loop= 599.00000000000000
main_MD> interactions number 29 at Temperature= 599.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.28102 0.41656 1.75490
force_rgl> df(natom) -2.87093 -1.92871 -0.78090
7005.0000 -66.34499 -64.87153 1.47345 1.91933 -64.90213 551.01265
7010.0000 -66.73302 -63.95440 2.77862 1.95507 -64.57251 582.26833
7015.0000 -66.20080 -64.21965 1.98115 2.01318 -64.03668 629.99752
7020.0000 -67.01284 -64.54288 2.46996 1.94531 -64.66254 564.31869
7025.0000 -66.74988 -65.09221 1.65767 1.95496 -64.57353 609.13831
7030.0000 -66.36107 -64.12123 2.23984 1.96261 -64.50298 617.23804
7035.0000 -66.74675 -65.11726 1.62949 1.95436 -64.57913 592.20410
7040.0000 -66.83681 -64.74080 2.09600 1.93521 -64.75563 571.14498
7045.0000 -67.26722 -65.34473 1.92249 1.88449 -65.22338 539.42686
7050.0000 -66.57969 -64.50210 2.07758 1.90563 -65.02838 543.08141
7055.0000 -67.37397 -64.91924 2.45472 1.98793 -64.26956 602.20729
7060.0000 -66.83526 -64.97546 1.85979 1.91274 -64.96286 530.13414
7065.0000 -66.82733 -64.24770 2.57963 1.94432 -64.67172 599.19104
7070.0000 -66.20623 -63.67013 2.53610 2.03932 -63.79565 671.47589
7075.0000 -66.41764 -63.79331 2.62433 2.02910 -63.88995 640.78849
7080.0000 -66.23158 -63.94098 2.29060 2.02108 -63.96385 645.61279
7085.0000 -67.31788 -64.63171 2.68617 2.00865 -64.07851 625.54243
7090.0000 -66.91568 -64.88039 2.03529 1.91346 -64.95621 530.21342
7095.0000 -67.12323 -64.77911 2.34412 1.92010 -64.89498 577.32128
7100.0000 -66.40203 -64.34796 2.05407 1.94449 -64.67014 586.17280
7105.0000 -66.87642 -64.52338 2.35305 1.95812 -64.54442 599.92227
7110.0000 -66.05811 -63.99054 2.06757 2.02692 -63.91002 663.01150
7115.0000 -66.84717 -64.41813 2.42904 2.00700 -64.09372 618.58322
7120.0000 -66.48644 -64.57360 1.91285 1.98884 -64.26113 619.92608
7125.0000 -66.81461 -64.90139 1.91322 2.00803 -64.08420 666.87634
7130.0000 -66.84084 -64.43669 2.40415 1.96056 -64.52196 586.44563
7135.0000 -66.98934 -64.89610 2.09324 1.95979 -64.52906 626.49849
7140.0000 -65.99430 -63.92595 2.06835 1.97028 -64.43229 633.56828
7145.0000 -67.33692 -64.66773 2.66919 2.00205 -64.13937 631.04947
7150.0000 -66.47389 -64.35621 2.11768 1.97251 -64.41171 614.36844
7155.0000 -66.60757 -64.10412 2.50345 1.99792 -64.17740 632.57388
7160.0000 -66.41629 -64.13333 2.28297 2.03122 -63.87039 673.19117
7165.0000 -66.17720 -63.42131 2.75589 2.02995 -63.88212 650.92670
7170.0000 -66.78009 -64.71286 2.06723 1.98385 -64.30713 614.91091
7175.0000 -66.12893 -64.03204 2.09689 1.98597 -64.28759 621.61582
7180.0000 -66.38470 -63.98045 2.40425 2.05635 -63.63870 720.99277
7185.0000 -66.71373 -64.48917 2.22456 1.97833 -64.35811 616.62164
7190.0000 -66.03241 -63.52878 2.50363 2.02830 -63.89735 648.40326
7195.0000 -67.22029 -65.15150 2.06879 1.96131 -64.51505 581.54249
7200.0000 -66.79636 -64.70468 2.09168 1.93848 -64.72557 553.75321
7205.0000 -66.40031 -64.22748 2.17283 1.94730 -64.64418 567.82702
7210.0000 -65.73978 -63.58720 2.15258 2.05103 -63.68773 717.29625
7215.0000 -65.29037 -63.46233 1.82804 2.06630 -63.54691 674.51849
7220.0000 -65.88505 -63.42766 2.45739 2.08336 -63.38962 680.45859
7225.0000 -67.15320 -65.21111 1.94209 2.02198 -63.95559 646.34512
7230.0000 -66.66311 -64.55256 2.11054 1.91315 -64.95909 558.38342
7235.0000 -67.08833 -65.47536 1.61297 1.88407 -65.22719 527.79881
7240.0000 -66.69063 -64.50329 2.18734 1.94210 -64.69216 583.13755
7245.0000 -66.89845 -64.31302 2.58543 1.97947 -64.34759 628.55023
7250.0000 -66.94912 -64.80018 2.14894 1.97549 -64.38422 601.32380
FREEZING PROCESS: loop number 30 T-loop= 574.00000000000000
main_MD> interactions number 30 at Temperature= 574.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08736 0.23202 1.44359
force_rgl> df(natom) 2.65075 -0.70881 -1.98551
7255.0000 -66.36761 -64.15122 2.21639 1.95539 -64.56962 605.40025
7260.0000 -66.97462 -64.82414 2.15048 1.99434 -64.21045 626.41870
7265.0000 -66.84017 -64.97516 1.86501 1.93727 -64.73672 578.77828
7270.0000 -66.85339 -64.94640 1.90699 1.88318 -65.23544 530.14604
7275.0000 -67.17621 -65.47995 1.69626 1.86755 -65.37955 522.80053
7280.0000 -66.46671 -64.60614 1.86057 1.91807 -64.91375 566.33008
7285.0000 -67.06326 -64.98152 2.08174 1.95274 -64.59408 600.61908
7290.0000 -66.86019 -64.48800 2.37218 1.90643 -65.02102 559.52869
7295.0000 -66.33976 -64.21113 2.12863 1.96477 -64.48308 609.77434
7300.0000 -66.61689 -64.37490 2.24199 1.96998 -64.43509 559.24963
7305.0000 -66.34574 -64.32224 2.02350 2.00195 -64.14030 634.30603
7310.0000 -66.18499 -63.96051 2.22448 1.99597 -64.19539 633.99344
7315.0000 -66.75205 -64.46443 2.28762 1.98622 -64.28536 615.43054
7320.0000 -66.50513 -64.29885 2.20628 1.99609 -64.19431 653.46896
7325.0000 -67.04978 -64.33149 2.71829 1.99339 -64.21921 648.01329
7330.0000 -67.23711 -65.15975 2.07737 1.90651 -65.02033 535.22628
7335.0000 -66.81839 -64.99480 1.82359 1.92058 -64.89062 562.61057
7340.0000 -66.93618 -64.81803 2.11814 1.90592 -65.02577 562.33952
7345.0000 -66.95048 -65.04748 1.90300 1.90660 -65.01950 554.09628
7350.0000 -65.99728 -63.82755 2.16973 1.96063 -64.52126 588.19675
7355.0000 -66.41708 -63.99976 2.41732 2.01837 -63.98887 611.12078
7360.0000 -67.11243 -64.73400 2.37842 1.98588 -64.28850 581.32544
7365.0000 -67.28519 -64.94543 2.33976 1.91858 -64.90904 572.16425
7370.0000 -67.19633 -64.92984 2.26650 1.89603 -65.11691 531.84161
7375.0000 -67.05419 -64.51035 2.54385 1.90705 -65.01535 533.51564
7380.0000 -66.63053 -64.47717 2.15337 1.96688 -64.46361 600.32714
7385.0000 -66.08574 -64.02194 2.06380 1.98449 -64.30126 588.01006
7390.0000 -67.09624 -64.52673 2.56951 1.95990 -64.52803 616.63449
7395.0000 -66.94793 -65.13730 1.81063 1.92979 -64.80564 577.12352
7400.0000 -66.78217 -64.74648 2.03569 1.95535 -64.57000 584.24062
7405.0000 -66.31140 -64.85127 1.46014 1.90671 -65.01847 538.17062
7410.0000 -66.68117 -64.75469 1.92648 1.90575 -65.02737 525.32311
7415.0000 -66.73139 -64.72837 2.00302 2.01802 -63.99213 688.02695
7420.0000 -66.87431 -64.77554 2.09877 1.93463 -64.76103 582.22824
7425.0000 -67.12493 -64.71103 2.41390 1.91805 -64.91389 572.07970
7430.0000 -67.06889 -64.51787 2.55101 1.93864 -64.72404 596.34646
7435.0000 -66.26379 -64.26764 1.99616 1.98843 -64.26491 637.24982
7440.0000 -67.02079 -65.06109 1.95970 1.96235 -64.50547 617.81392
7445.0000 -66.98573 -64.94422 2.04151 1.96507 -64.48030 628.73929
7450.0000 -66.32478 -64.62104 1.70374 1.92259 -64.87206 552.71783
7455.0000 -67.35692 -65.25867 2.09826 1.91325 -64.95815 559.64407
7460.0000 -66.80826 -64.67577 2.13249 1.89945 -65.08540 539.56446
7465.0000 -67.23215 -65.11437 2.11778 1.90456 -65.03827 551.67427
7470.0000 -66.95926 -64.74798 2.21128 1.88673 -65.20266 522.04574
7475.0000 -66.43959 -64.60628 1.83331 1.94746 -64.64271 591.87375
7480.0000 -67.38614 -65.47783 1.90831 1.88157 -65.25031 522.21429
7485.0000 -67.09422 -65.13517 1.95906 1.89513 -65.12522 522.06151
7490.0000 -66.76079 -64.86228 1.89851 1.89875 -65.09186 516.08565
7495.0000 -66.61809 -64.49279 2.12529 1.93205 -64.78478 562.67997
7500.0000 -66.70839 -64.64765 2.06074 1.94503 -64.66516 594.59972
FREEZING PROCESS: loop number 31 T-loop= 549.00000000000000
main_MD> interactions number 31 at Temperature= 549.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.77950 -1.91918 1.02687
force_rgl> df(natom) 4.12972 -0.10379 1.17412
7505.0000 -66.47569 -64.89465 1.58104 1.90940 -64.99367 553.59777
7510.0000 -67.51524 -65.56857 1.94667 1.88209 -65.24549 539.18160
7515.0000 -67.08359 -65.25270 1.83089 1.84616 -65.57683 476.73929
7520.0000 -66.58939 -64.67558 1.91381 1.90364 -65.04674 526.75102
7525.0000 -66.38104 -64.52720 1.85384 1.94545 -64.66129 561.57693
7530.0000 -66.33952 -64.51195 1.82757 1.92235 -64.87429 527.13565
7535.0000 -67.09862 -64.65212 2.44650 1.98793 -64.26952 613.23607
7540.0000 -67.02306 -64.55100 2.47205 1.94287 -64.68506 578.58231
7545.0000 -66.05554 -64.15868 1.89687 1.96910 -64.44318 600.65248
7550.0000 -66.75732 -64.95949 1.79783 1.97861 -64.35546 605.87569
7555.0000 -67.34183 -65.20585 2.13598 1.92848 -64.81772 585.69546
7560.0000 -66.73800 -64.84423 1.89377 1.90110 -65.07023 552.59462
7565.0000 -66.42784 -64.46803 1.95981 1.91264 -64.96380 543.19028
7570.0000 -66.78138 -63.98131 2.80007 1.97007 -64.43420 598.50565
7575.0000 -66.50944 -64.67093 1.83851 1.97382 -64.39963 621.49222
7580.0000 -66.97157 -65.03635 1.93522 1.95939 -64.53267 562.43301
7585.0000 -67.12868 -65.30575 1.82292 1.90268 -65.05568 515.56526
7590.0000 -66.74504 -64.75780 1.98724 1.89954 -65.08461 515.92711
7595.0000 -65.85764 -63.33373 2.52391 2.02861 -63.89446 639.92552
7600.0000 -66.43487 -64.23090 2.20397 2.05530 -63.64836 676.12059
7605.0000 -66.81015 -64.75112 2.05903 1.96906 -64.44352 569.75420
7610.0000 -66.75730 -64.79613 1.96117 1.93604 -64.74799 591.40589
7615.0000 -66.79409 -65.08414 1.70995 1.92258 -64.87213 546.35838
7620.0000 -66.96393 -64.39959 2.56434 1.89989 -65.08139 528.06882
7625.0000 -66.44489 -64.14031 2.30458 1.96904 -64.44369 572.19989
7630.0000 -65.98094 -63.66149 2.31945 2.04139 -63.77664 629.57836
7635.0000 -66.12265 -64.06175 2.06091 2.04165 -63.77419 635.84477
7640.0000 -66.59049 -65.07644 1.51404 1.96391 -64.49102 562.94597
7645.0000 -67.41613 -65.73273 1.68341 1.86730 -65.38188 491.02942
7650.0000 -66.48193 -65.01569 1.46623 1.86080 -65.44178 499.32983
7655.0000 -67.40268 -65.62814 1.77454 1.86185 -65.43213 508.09205
7660.0000 -67.71930 -65.89388 1.82542 1.84220 -65.61332 495.59417
7665.0000 -66.82703 -65.29655 1.53048 1.84701 -65.56896 487.65546
7670.0000 -66.11349 -64.00863 2.10486 1.90413 -65.04226 540.09292
7675.0000 -65.88152 -63.47469 2.40684 2.05080 -63.68983 668.86202
7680.0000 -66.51812 -64.47559 2.04253 2.03938 -63.79518 653.33651
7685.0000 -66.56876 -64.35336 2.21540 1.96569 -64.47464 552.44127
7690.0000 -66.11710 -63.63222 2.48489 1.97870 -64.35467 608.46715
7695.0000 -66.49473 -64.44444 2.05029 2.01176 -64.04983 582.96673
7700.0000 -67.41391 -65.57805 1.83586 1.92441 -64.85530 550.82632
7705.0000 -66.76834 -64.95096 1.81738 1.87806 -65.28268 513.33371
7710.0000 -66.78681 -64.80920 1.97761 1.89791 -65.09961 519.71523
7715.0000 -66.80237 -65.10797 1.69441 1.92171 -64.88012 555.67185
7720.0000 -67.39048 -65.01730 2.37317 1.88347 -65.23274 503.87654
7725.0000 -67.13574 -64.77172 2.36402 1.87315 -65.32792 508.92030
7730.0000 -66.73856 -64.48324 2.25532 1.93525 -64.75535 539.28264
7735.0000 -66.85463 -65.05990 1.79472 1.95840 -64.54181 618.98426
7740.0000 -67.02103 -65.01146 2.00957 1.90381 -65.04518 522.92940
7745.0000 -67.23897 -65.27304 1.96593 1.88937 -65.17832 503.70341
7750.0000 -67.43334 -65.73298 1.70036 1.85636 -65.48270 468.26937
FREEZING PROCESS: loop number 32 T-loop= 524.00000000000000
main_MD> interactions number 32 at Temperature= 524.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51722 0.58546 0.70946
force_rgl> df(natom) -1.08123 -0.90059 0.34029
7755.0000 -67.02115 -65.20253 1.81862 1.87538 -65.30732 515.03274
7760.0000 -66.56358 -64.28981 2.27378 1.94971 -64.62197 592.44017
7765.0000 -66.58847 -64.55036 2.03811 1.91927 -64.90261 555.18460
7770.0000 -67.10913 -65.20276 1.90638 1.88862 -65.18532 530.80706
7775.0000 -66.94780 -64.70184 2.24596 1.92322 -64.86621 549.09868
7780.0000 -67.30870 -65.35313 1.95557 1.89687 -65.10922 540.04636
7785.0000 -67.51050 -65.85210 1.65840 1.86315 -65.42015 517.09961
7790.0000 -66.63402 -65.21221 1.42181 1.84188 -65.61629 468.22975
7795.0000 -66.61701 -64.43114 2.18587 1.92272 -64.87088 515.78961
7800.0000 -66.47436 -63.97709 2.49727 2.02873 -63.89332 634.87464
7805.0000 -66.61200 -64.37406 2.23795 1.98977 -64.25254 601.91414
7810.0000 -66.78056 -65.13094 1.64962 1.93572 -64.75096 555.10307
7815.0000 -67.17903 -65.55950 1.61954 1.88978 -65.17458 513.33008
7820.0000 -67.57946 -65.75006 1.82940 1.83324 -65.69592 465.58460
7825.0000 -67.46169 -65.89047 1.57123 1.83370 -65.69164 467.60548
7830.0000 -67.21712 -65.44932 1.76780 1.86590 -65.39479 525.38964
7835.0000 -66.50314 -64.63293 1.87021 1.90727 -65.01334 543.25367
7840.0000 -66.82597 -64.59257 2.23340 1.94415 -64.67321 571.20838
7845.0000 -66.57690 -64.33284 2.24405 1.95951 -64.53158 606.57081
7850.0000 -66.47163 -64.34658 2.12505 1.94191 -64.69391 577.65922
7855.0000 -67.06499 -65.39342 1.67157 1.93017 -64.80218 549.56613
7860.0000 -67.11029 -65.27815 1.83213 1.83482 -65.68136 450.82431
7865.0000 -67.35258 -64.61414 2.73844 1.91297 -64.96076 558.56862
7870.0000 -66.98887 -65.11795 1.87093 1.92088 -64.88780 560.82068
7875.0000 -67.28590 -65.11798 2.16793 1.88304 -65.23670 497.64068
7880.0000 -67.63292 -65.83037 1.80256 1.84226 -65.61279 478.98291
7885.0000 -66.97686 -65.02678 1.95008 1.85110 -65.53125 474.17856
7890.0000 -67.33580 -65.84561 1.49019 1.85208 -65.52219 488.24190
7895.0000 -67.22014 -65.05585 2.16429 1.83925 -65.64055 476.54770
7900.0000 -67.51749 -66.02026 1.49723 1.84366 -65.59987 481.79753
7905.0000 -67.67713 -65.93287 1.74426 1.80294 -65.97532 439.06544
7910.0000 -67.19647 -65.23530 1.96117 1.85984 -65.45065 501.06101
7915.0000 -67.04293 -65.59077 1.45217 1.89730 -65.10521 506.51276
7920.0000 -67.07197 -65.34078 1.73119 1.86873 -65.36872 458.41187
7925.0000 -67.14827 -65.26793 1.88035 1.88683 -65.20181 506.72258
7930.0000 -66.82887 -65.02571 1.80316 1.88684 -65.20165 517.91256
7935.0000 -67.16160 -65.28156 1.88005 1.90831 -65.00369 555.56728
7940.0000 -66.80667 -65.05125 1.75542 1.89703 -65.10775 524.86889
7945.0000 -67.02609 -65.29180 1.73430 1.88644 -65.20542 519.37935
7950.0000 -67.23649 -65.78553 1.45096 1.88777 -65.19309 522.18980
7955.0000 -67.42899 -65.85241 1.57659 1.81068 -65.90391 436.23426
7960.0000 -67.34787 -65.75369 1.59418 1.82426 -65.77877 447.82926
7965.0000 -67.26114 -65.14156 2.11958 1.85950 -65.45375 481.95094
7970.0000 -67.23944 -65.53729 1.70215 1.90158 -65.06581 560.22487
7975.0000 -67.22293 -64.84085 2.38208 1.86679 -65.38661 501.72848
7980.0000 -67.42800 -65.40200 2.02600 1.88701 -65.20016 509.43165
7985.0000 -67.18769 -65.20769 1.98000 1.85964 -65.45248 477.64917
7990.0000 -66.76997 -65.03442 1.73555 1.92009 -64.89511 519.13370
7995.0000 -66.72840 -65.18716 1.54124 1.90101 -65.07103 512.78931
8000.0000 -67.17526 -65.15314 2.02212 1.92514 -64.84849 549.30537
FREEZING PROCESS: loop number 33 T-loop= 499.00000000000000
main_MD> interactions number 33 at Temperature= 499.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16368 -1.77663 -2.69366
force_rgl> df(natom) 2.04413 -3.27243 1.97702
8005.0000 -67.15761 -65.50864 1.64897 1.89500 -65.12643 521.32664
8010.0000 -67.38519 -65.76216 1.62303 1.85366 -65.50764 453.46213
8015.0000 -67.38979 -65.70647 1.68332 1.82902 -65.73483 471.45758
8020.0000 -67.02396 -65.65801 1.36596 1.83057 -65.72055 453.04871
8025.0000 -66.62771 -64.92150 1.70621 1.91044 -64.98409 525.25395
8030.0000 -66.71411 -64.90346 1.81065 1.90396 -65.04383 517.07391
8035.0000 -66.90187 -65.11234 1.78952 1.88873 -65.18422 527.27519
8040.0000 -66.85230 -65.45050 1.40180 1.89446 -65.13144 518.97237
8045.0000 -67.41812 -65.68070 1.73742 1.86338 -65.41797 489.42346
8050.0000 -66.89093 -65.20366 1.68727 1.84696 -65.56945 478.07185
8055.0000 -67.59890 -65.37038 2.22851 1.88049 -65.26025 502.37092
8060.0000 -67.26353 -65.33534 1.92819 1.86211 -65.42969 511.91309
8065.0000 -67.60196 -65.74756 1.85440 1.82417 -65.77952 456.81476
8070.0000 -67.47005 -65.77768 1.69237 1.81737 -65.84230 450.53104
8075.0000 -68.06089 -66.43200 1.62890 1.79954 -66.00667 432.72697
8080.0000 -67.07104 -65.46877 1.60228 1.80551 -65.95161 426.58994
8085.0000 -66.71915 -65.00982 1.70933 1.87973 -65.26727 516.06253
8090.0000 -67.41993 -65.46525 1.95469 1.89997 -65.08062 534.35022
8095.0000 -67.48427 -65.51995 1.96433 1.87034 -65.35380 524.14301
8100.0000 -67.53730 -65.80953 1.72777 1.82967 -65.72884 464.64073
8105.0000 -67.21674 -65.18707 2.02967 1.83946 -65.63859 486.63176
8110.0000 -67.17200 -65.36719 1.80482 1.87611 -65.30067 542.01796
8115.0000 -67.89768 -65.60112 2.29656 1.84686 -65.57037 497.91222
8120.0000 -66.64482 -64.31253 2.33229 1.89532 -65.12353 525.19807
8125.0000 -67.44833 -65.38083 2.06750 1.93368 -64.76978 597.55266
8130.0000 -66.72405 -64.95383 1.77022 1.89626 -65.11485 538.84755
8135.0000 -66.95593 -64.61332 2.34261 1.93180 -64.78714 587.83295
8140.0000 -66.85524 -64.67942 2.17583 1.89964 -65.08366 536.32437
8145.0000 -67.78732 -66.17780 1.60951 1.83050 -65.72121 455.91168
8150.0000 -67.16286 -65.42604 1.73682 1.81165 -65.89499 456.87466
8155.0000 -67.65720 -65.58762 2.06958 1.85106 -65.53166 510.09737
8160.0000 -67.65770 -65.99642 1.66128 1.79801 -66.02077 455.35474
8165.0000 -67.74909 -65.73790 2.01119 1.79800 -66.02089 443.41757
8170.0000 -67.64335 -65.59916 2.04418 1.81059 -65.90480 470.04571
8175.0000 -67.29436 -65.48694 1.80742 1.83405 -65.68849 469.84272
8180.0000 -67.76723 -65.92076 1.84647 1.81345 -65.87837 456.80383
8185.0000 -66.97069 -65.03186 1.93883 1.87449 -65.31553 514.62449
8190.0000 -67.29021 -65.77772 1.51249 1.86046 -65.44497 508.60770
8195.0000 -67.74405 -65.69779 2.04626 1.83004 -65.72544 472.80164
8200.0000 -67.32269 -65.20465 2.11805 1.84273 -65.60838 480.42699
8205.0000 -66.99164 -65.29223 1.69941 1.89401 -65.13556 529.52415
8210.0000 -67.41285 -65.67618 1.73666 1.89720 -65.10611 542.72975
8215.0000 -67.19491 -65.66177 1.53314 1.82430 -65.77835 448.52351
8220.0000 -67.22344 -65.55568 1.66776 1.81464 -65.86740 456.81595
8225.0000 -67.29334 -65.60193 1.69141 1.82811 -65.74324 465.64745
8230.0000 -67.50891 -65.59832 1.91059 1.84435 -65.59345 479.03851
8235.0000 -67.91572 -66.24167 1.67405 1.81429 -65.87063 424.26326
8240.0000 -67.10040 -65.36505 1.73535 1.84844 -65.55580 487.27342
8245.0000 -67.27386 -65.75254 1.52131 1.85911 -65.45742 492.85857
8250.0000 -67.69447 -66.15151 1.54297 1.81426 -65.87092 444.97170
FREEZING PROCESS: loop number 34 T-loop= 474.00000000000000
main_MD> interactions number 34 at Temperature= 474.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46003 1.69661 -1.43394
force_rgl> df(natom) -1.68267 1.02918 -0.47747
8255.0000 -67.71455 -66.14475 1.56980 1.75643 -66.40419 379.78750
8260.0000 -67.98078 -66.26224 1.71854 1.78302 -66.15899 427.35548
8265.0000 -67.60394 -66.16111 1.44283 1.78708 -66.12157 432.64634
8270.0000 -67.18579 -65.38876 1.79703 1.82327 -65.78787 486.65056
8275.0000 -67.35822 -65.39436 1.96386 1.89388 -65.13679 524.21261
8280.0000 -67.17781 -65.48272 1.69510 1.83468 -65.68264 465.68149
8285.0000 -67.42197 -65.51244 1.90953 1.84350 -65.60130 458.63165
8290.0000 -67.29033 -66.10778 1.18256 1.81244 -65.88772 404.54897
8295.0000 -67.46160 -65.94848 1.51312 1.81131 -65.89810 414.96729
8300.0000 -67.80673 -65.82524 1.98148 1.85574 -65.48847 490.86749
8305.0000 -67.61202 -66.01923 1.59280 1.78675 -66.12460 418.06037
8310.0000 -67.14455 -65.38196 1.76259 1.84304 -65.60555 491.46666
8315.0000 -67.03179 -64.94937 2.08242 1.88133 -65.25247 541.83815
8320.0000 -67.70972 -65.68210 2.02763 1.86970 -65.35976 512.53729
8325.0000 -67.36297 -65.32211 2.04086 1.84734 -65.56593 476.71565
8330.0000 -67.04190 -65.00776 2.03414 1.88293 -65.23770 528.18748
8335.0000 -67.05019 -65.60246 1.44773 1.82818 -65.74256 473.57967
8340.0000 -67.01037 -65.37159 1.63878 1.86406 -65.41172 497.08633
8345.0000 -67.23403 -65.39182 1.84221 1.86829 -65.37271 503.61460
8350.0000 -67.20502 -65.48259 1.72243 1.84664 -65.57238 505.30171
8355.0000 -67.01024 -64.86508 2.14516 1.88035 -65.26153 549.62282
8360.0000 -66.87164 -65.38958 1.48206 1.90247 -65.05760 532.41518
8365.0000 -67.05898 -65.85039 1.20859 1.85942 -65.45452 499.71841
8370.0000 -67.59478 -65.76656 1.82822 1.82702 -65.75325 468.26514
8375.0000 -67.94460 -66.41254 1.53206 1.78474 -66.14311 423.20163
8380.0000 -67.34159 -66.11052 1.23107 1.77888 -66.19715 420.87540
8385.0000 -68.10393 -66.53763 1.56630 1.77237 -66.25716 428.84945
8390.0000 -67.86663 -65.98472 1.88191 1.75251 -66.44031 389.13938
8395.0000 -67.06375 -65.48919 1.57456 1.81900 -65.82726 431.95367
8400.0000 -67.26251 -65.29618 1.96633 1.85497 -65.49553 479.97417
8405.0000 -67.22324 -65.53383 1.68940 1.86253 -65.42582 495.77265
8410.0000 -67.46515 -65.95494 1.51021 1.84197 -65.61545 484.05798
8415.0000 -67.09885 -65.56194 1.53691 1.79777 -66.02295 405.06939
8420.0000 -67.67950 -65.96051 1.71899 1.79775 -66.02318 429.47707
8425.0000 -67.79442 -66.15765 1.63677 1.76926 -66.28589 377.55136
8430.0000 -67.00575 -65.23712 1.76863 1.81991 -65.81886 450.00645
8435.0000 -66.91462 -65.39146 1.52316 1.85443 -65.50050 495.64221
8440.0000 -67.45821 -65.72063 1.73758 1.86636 -65.39051 501.43278
8445.0000 -67.20088 -65.65573 1.54515 1.84173 -65.61765 456.73229
8450.0000 -67.32325 -66.17005 1.15320 1.79454 -66.05274 430.40566
8455.0000 -67.65610 -65.94223 1.71387 1.80037 -65.99901 429.99809
8460.0000 -67.28775 -65.14429 2.14346 1.85591 -65.48685 493.83165
8465.0000 -67.65968 -65.50160 2.15808 1.85828 -65.46502 497.14313
8470.0000 -67.63476 -66.00835 1.62642 1.83354 -65.69312 472.03031
8475.0000 -67.44813 -65.76845 1.67968 1.83481 -65.68142 483.65235
8480.0000 -67.69846 -66.01390 1.68456 1.82055 -65.81297 495.30651
8485.0000 -67.27116 -65.97913 1.29203 1.81197 -65.89204 480.08469
8490.0000 -67.14502 -65.32223 1.82279 1.85038 -65.53785 492.75319
8495.0000 -66.60315 -65.14683 1.45633 1.90133 -65.06811 533.45601
8500.0000 -67.25281 -65.34155 1.91126 1.85721 -65.47489 475.32575
FREEZING PROCESS: loop number 35 T-loop= 449.00000000000000
main_MD> interactions number 35 at Temperature= 449.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20711 -2.43729 0.52578
force_rgl> df(natom) -1.66019 2.52158 0.65849
8505.0000 -67.65790 -66.19499 1.46291 1.83484 -65.68114 448.12639
8510.0000 -67.53032 -65.84360 1.68672 1.80281 -65.97655 445.52305
8515.0000 -67.48205 -66.17948 1.30257 1.79631 -66.03645 431.71956
8520.0000 -67.67012 -66.14845 1.52167 1.78566 -66.13465 422.21910
8525.0000 -67.31468 -65.86286 1.45182 1.82759 -65.74803 458.75760
8530.0000 -67.52250 -65.89304 1.62945 1.79825 -66.01858 441.52092
8535.0000 -67.21937 -65.49599 1.72338 1.80035 -65.99923 423.60889
8540.0000 -67.50500 -65.50748 1.99752 1.83338 -65.69459 467.19128
8545.0000 -67.54864 -65.98366 1.56498 1.81323 -65.88039 453.71174
8550.0000 -67.19596 -65.15096 2.04500 1.87320 -65.32748 512.44400
8555.0000 -67.17572 -65.85999 1.31573 1.85355 -65.50866 497.57591
8560.0000 -67.76590 -66.42667 1.33923 1.78910 -66.10290 415.59882
8565.0000 -67.57615 -65.68302 1.89313 1.78126 -66.17527 411.32109
8570.0000 -67.47673 -65.71568 1.76105 1.81740 -65.84195 446.15549
8575.0000 -67.28170 -65.25008 2.03162 1.85273 -65.51622 451.26556
8580.0000 -67.61483 -65.93143 1.68341 1.84549 -65.58295 454.00070
8585.0000 -67.24415 -65.60887 1.63528 1.83994 -65.63419 445.24630
8590.0000 -67.29430 -65.47168 1.82262 1.88208 -65.24557 484.18650
8595.0000 -67.47367 -65.74664 1.72703 1.86095 -65.44046 505.11483
8600.0000 -67.95653 -66.17736 1.77916 1.80544 -65.95223 445.79179
8605.0000 -67.93976 -66.55752 1.38224 1.74537 -66.50614 363.38438
8610.0000 -67.42344 -65.88087 1.54257 1.78261 -66.16274 398.62912
8615.0000 -67.34147 -65.53109 1.81038 1.83423 -65.68678 452.18516
8620.0000 -67.48874 -65.87743 1.61131 1.80604 -65.94677 421.64234
8625.0000 -67.15359 -65.74808 1.40551 1.84102 -65.62416 478.45175
8630.0000 -67.67091 -66.02319 1.64772 1.81859 -65.83104 453.42920
8635.0000 -67.19323 -66.05992 1.13331 1.80075 -65.99552 422.83142
8640.0000 -67.81242 -66.12172 1.69070 1.80539 -65.95274 418.39774
8645.0000 -67.52056 -65.83070 1.68986 1.80904 -65.91908 445.14055
8650.0000 -66.98206 -65.23864 1.74342 1.85619 -65.48429 515.37337
8655.0000 -67.55698 -65.89370 1.66327 1.85734 -65.47366 484.46910
8660.0000 -67.94369 -66.81680 1.12689 1.79608 -66.03857 411.07304
8665.0000 -68.15862 -66.47211 1.68651 1.74945 -66.46851 382.77113
8670.0000 -67.61964 -66.27025 1.34940 1.74821 -66.48001 344.06667
8675.0000 -67.54970 -65.79983 1.74987 1.80721 -65.93594 406.92986
8680.0000 -67.39891 -65.61523 1.78368 1.82323 -65.78826 451.76386
8685.0000 -67.14708 -65.12696 2.02012 1.89834 -65.09569 524.72758
8690.0000 -66.25987 -64.31075 1.94912 1.89874 -65.09192 532.96721
8695.0000 -67.61126 -65.93922 1.67204 1.93544 -64.75352 561.28687
8700.0000 -67.25395 -65.72757 1.52639 1.82672 -65.75604 461.49588
8705.0000 -67.54604 -65.90545 1.64059 1.83058 -65.72042 452.35163
8710.0000 -67.52439 -66.19096 1.33343 1.76445 -66.33023 380.46288
8715.0000 -66.89112 -65.41520 1.47591 1.82696 -65.75385 435.90569
8720.0000 -67.50437 -65.77340 1.73097 1.82236 -65.79626 437.95846
8725.0000 -67.16481 -65.43237 1.73244 1.83604 -65.67014 452.04528
8730.0000 -67.25211 -65.61164 1.64047 1.86144 -65.43591 485.65602
8735.0000 -67.74687 -66.12102 1.62585 1.79999 -66.00255 422.31465
8740.0000 -67.17509 -65.75561 1.41948 1.82201 -65.79944 432.94431
8745.0000 -67.19412 -65.63754 1.55658 1.83427 -65.68647 460.05951
8750.0000 -67.62334 -66.00857 1.61477 1.81786 -65.83775 462.59615
FREEZING PROCESS: loop number 36 T-loop= 424.00000000000000
main_MD> interactions number 36 at Temperature= 424.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.69930 -0.67360 2.57246
force_rgl> df(natom) -0.65424 -0.30094 0.03838
8755.0000 -68.22056 -66.56942 1.65114 1.74052 -66.55084 366.16011
8760.0000 -68.06249 -66.39736 1.66513 1.73869 -66.56775 354.17348
8765.0000 -67.79314 -66.23395 1.55918 1.78161 -66.17198 392.52334
8770.0000 -67.43372 -65.85408 1.57964 1.79419 -66.05604 403.30328
8775.0000 -67.82480 -66.35979 1.46501 1.75876 -66.38265 366.59436
8780.0000 -67.56744 -66.05469 1.51275 1.80856 -65.92348 426.22382
8785.0000 -67.65442 -66.32099 1.33344 1.76620 -66.31414 369.83407
8790.0000 -67.89891 -66.14276 1.75615 1.77775 -66.20761 390.23339
8795.0000 -67.43094 -65.95660 1.47433 1.80347 -65.97043 422.75041
8800.0000 -67.45180 -66.27441 1.17739 1.79201 -66.07609 410.15168
8805.0000 -67.51042 -65.59807 1.91235 1.80139 -65.98965 426.56201
8810.0000 -67.34854 -65.71571 1.63283 1.83249 -65.70286 479.11458
8815.0000 -67.59603 -66.19163 1.40439 1.79601 -66.03922 443.84783
8820.0000 -67.97556 -66.53647 1.43910 1.73311 -66.61920 377.46915
8825.0000 -68.00869 -66.46306 1.54563 1.77718 -66.21288 405.73403
8830.0000 -67.90113 -66.45320 1.44793 1.76429 -66.33174 394.06270
8835.0000 -68.06290 -66.57098 1.49192 1.74750 -66.48657 393.18558
8840.0000 -67.67584 -66.50232 1.17352 1.75225 -66.44275 382.41581
8845.0000 -67.69780 -66.23920 1.45860 1.77102 -66.26967 381.87275
8850.0000 -67.71465 -66.50717 1.20748 1.77597 -66.22399 406.90186
8855.0000 -67.64612 -66.04259 1.60353 1.76402 -66.33419 389.55368
8860.0000 -67.59617 -66.00279 1.59338 1.79726 -66.02773 438.51725
8865.0000 -67.33820 -65.93824 1.39996 1.81855 -65.83139 446.59686
8870.0000 -67.42568 -65.57869 1.84699 1.82180 -65.80140 442.79341
8875.0000 -67.84895 -66.24696 1.60199 1.81117 -65.89942 448.76303
8880.0000 -67.68929 -66.31061 1.37867 1.75264 -66.43909 391.43841
8885.0000 -68.13401 -66.61731 1.51670 1.73800 -66.57412 379.53627
8890.0000 -67.68514 -66.09917 1.58597 1.78174 -66.17081 442.31624
8895.0000 -66.96980 -65.34816 1.62165 1.82675 -65.75576 463.90271
8900.0000 -68.07595 -66.28066 1.79529 1.81160 -65.89548 448.98980
8905.0000 -67.59656 -66.10117 1.49539 1.78707 -66.12168 437.45649
8910.0000 -67.73847 -66.33056 1.40791 1.79562 -66.04284 431.28314
8915.0000 -67.59677 -66.08359 1.51318 1.76026 -66.36891 379.67745
8920.0000 -67.74349 -66.42892 1.31458 1.79122 -66.08338 423.98195
8925.0000 -67.65672 -66.17862 1.47810 1.77706 -66.21395 398.06217
8930.0000 -67.75340 -65.92004 1.83336 1.78966 -66.09774 423.60396
8935.0000 -67.52074 -66.03248 1.48826 1.78958 -66.09854 418.47416
8940.0000 -67.40881 -65.86562 1.54318 1.79133 -66.08235 419.47676
8945.0000 -67.30042 -65.91832 1.38210 1.80554 -65.95134 439.73637
8950.0000 -67.89992 -66.53511 1.36481 1.77152 -66.26506 402.84064
8955.0000 -67.56574 -66.33916 1.22658 1.74746 -66.48690 363.98337
8960.0000 -67.86720 -66.52259 1.34461 1.77006 -66.27850 384.00587
8965.0000 -67.86110 -66.27242 1.58868 1.74400 -66.51879 339.79984
8970.0000 -67.35238 -66.23088 1.12150 1.78751 -66.11759 369.70245
8975.0000 -67.47417 -65.82860 1.64558 1.80064 -65.99649 425.45543
8980.0000 -67.61212 -65.77229 1.83983 1.80658 -65.94179 456.43888
8985.0000 -67.96450 -66.21643 1.74807 1.82285 -65.79172 466.86755
8990.0000 -67.26153 -65.91453 1.34700 1.80027 -65.99998 429.24561
8995.0000 -67.89376 -66.43542 1.45834 1.78828 -66.11050 395.58633
9000.0000 -68.18003 -66.51741 1.66262 1.75554 -66.41242 370.74723
FREEZING PROCESS: loop number 37 T-loop= 399.00000000000000
main_MD> interactions number 37 at Temperature= 399.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46798 -0.69032 2.46804
force_rgl> df(natom) -0.12203 -1.15148 -3.57544
9005.0000 -67.72688 -66.36852 1.35836 1.75858 -66.38437 384.37715
9010.0000 -67.70927 -66.34018 1.36909 1.75914 -66.37922 372.25052
9015.0000 -67.44518 -65.91977 1.52541 1.79205 -66.07575 411.12183
9020.0000 -67.29666 -66.02889 1.26777 1.80052 -65.99767 401.24251
9025.0000 -67.61251 -66.19103 1.42148 1.76447 -66.33001 376.86777
9030.0000 -67.70861 -66.41300 1.29562 1.77818 -66.20365 391.52582
9035.0000 -67.98248 -66.49084 1.49163 1.71787 -66.75978 325.45202
9040.0000 -67.65101 -66.50343 1.14758 1.72244 -66.71760 339.55613
9045.0000 -67.42296 -66.27122 1.15174 1.75449 -66.42210 373.14119
9050.0000 -67.68547 -66.26923 1.41624 1.75518 -66.41574 375.89975
9055.0000 -67.76275 -66.74130 1.02145 1.75700 -66.39889 390.64401
9060.0000 -68.03557 -67.23882 0.79676 1.69287 -66.99022 308.35741
9065.0000 -68.03662 -66.62154 1.41508 1.70810 -66.84986 313.98158
9070.0000 -67.49244 -66.48466 1.00778 1.74332 -66.52510 366.95285
9075.0000 -67.60950 -65.88892 1.72058 1.77684 -66.21595 396.35917
9080.0000 -68.17480 -66.50841 1.66638 1.80250 -65.97938 448.82652
9085.0000 -67.91951 -66.69924 1.22028 1.73138 -66.63515 342.12899
9090.0000 -67.25816 -66.12458 1.13358 1.72613 -66.68361 331.06754
9095.0000 -67.93750 -66.49120 1.44630 1.77540 -66.22930 419.11727
9100.0000 -67.99738 -66.65659 1.34080 1.73226 -66.62701 351.78824
9105.0000 -67.60948 -66.11653 1.49295 1.75735 -66.39566 395.72173
9110.0000 -67.47148 -65.94485 1.52663 1.79008 -66.09386 394.18861
9115.0000 -67.60226 -65.92783 1.67443 1.80630 -65.94430 423.64119
9120.0000 -67.48015 -66.02009 1.46006 1.79658 -66.03400 425.44562
9125.0000 -68.03357 -66.23262 1.80095 1.77018 -66.27743 387.69343
9130.0000 -67.42777 -65.85586 1.57192 1.82168 -65.80248 450.86626
9135.0000 -67.94356 -66.61995 1.32361 1.76803 -66.29724 379.23647
9140.0000 -68.05469 -66.59896 1.45573 1.69801 -66.94287 321.70269
9145.0000 -67.75961 -66.77806 0.98154 1.72397 -66.70350 345.36761
9150.0000 -67.83467 -66.33856 1.49612 1.73725 -66.58101 369.83606
9155.0000 -67.90376 -66.51750 1.38627 1.76449 -66.32983 392.38019
9160.0000 -67.72922 -66.58829 1.14093 1.75862 -66.38400 388.60191
9165.0000 -67.95134 -66.62433 1.32701 1.74868 -66.47561 383.64846
9170.0000 -67.33898 -66.57666 0.76232 1.74035 -66.55241 359.79530
9175.0000 -67.43503 -66.15837 1.27666 1.75932 -66.37752 371.76692
9180.0000 -67.33445 -66.15246 1.18199 1.80705 -65.93747 414.68684
9185.0000 -67.75555 -66.20194 1.55361 1.76795 -66.29798 391.76664
9190.0000 -67.81250 -66.41983 1.39267 1.74080 -66.54832 356.34637
9195.0000 -67.81711 -66.45058 1.36653 1.76515 -66.32375 409.64080
9200.0000 -67.76268 -66.64946 1.11322 1.74104 -66.54611 375.72036
9205.0000 -67.82859 -66.36523 1.46336 1.74059 -66.55020 387.93651
9210.0000 -67.68137 -66.29990 1.38147 1.76441 -66.33057 410.80571
9215.0000 -68.23173 -66.61510 1.61663 1.74993 -66.46412 402.93375
9220.0000 -68.11073 -66.52848 1.58225 1.74092 -66.54723 381.24978
9225.0000 -67.73706 -66.44016 1.29690 1.73899 -66.56497 381.53128
9230.0000 -68.13294 -66.79100 1.34194 1.74074 -66.54889 379.05163
9235.0000 -67.51573 -66.14118 1.37455 1.74037 -66.55228 376.78436
9240.0000 -67.74790 -66.35391 1.39399 1.76330 -66.34079 391.87507
9245.0000 -67.94942 -66.52249 1.42693 1.74181 -66.53895 369.39240
9250.0000 -68.10859 -66.63407 1.47452 1.72966 -66.65101 355.36540
FREEZING PROCESS: loop number 38 T-loop= 374.00000000000000
main_MD> interactions number 38 at Temperature= 374.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47390 -0.70773 1.52389
force_rgl> df(natom) -1.24211 1.11924 -0.92933
9255.0000 -67.72468 -66.60235 1.12234 1.74358 -66.52269 371.71856
9260.0000 -67.61623 -66.41576 1.20047 1.75577 -66.41028 384.34081
9265.0000 -67.37735 -66.05810 1.31925 1.77074 -66.27228 369.90436
9270.0000 -67.97530 -66.38678 1.58853 1.78200 -66.16838 401.36110
9275.0000 -67.74976 -66.27157 1.47819 1.74840 -66.47827 362.82986
9280.0000 -67.90349 -66.65952 1.24397 1.75495 -66.41787 364.88533
9285.0000 -68.06845 -66.99720 1.07124 1.71503 -66.78595 330.45455
9290.0000 -67.75070 -66.51428 1.23642 1.72708 -66.67486 335.49660
9295.0000 -68.14941 -66.85872 1.29069 1.73917 -66.56336 365.84498
9300.0000 -67.43275 -66.32511 1.10764 1.76175 -66.35513 391.51218
9305.0000 -67.95588 -66.63616 1.31972 1.75151 -66.44952 379.04922
9310.0000 -68.00453 -66.69614 1.30839 1.71320 -66.80276 344.53034
9315.0000 -67.82422 -66.49407 1.33016 1.74818 -66.48021 374.70310
9320.0000 -67.95914 -66.71446 1.24467 1.73566 -66.59569 357.68998
9325.0000 -68.19024 -67.04890 1.14134 1.73013 -66.64673 362.06547
9330.0000 -67.95819 -66.64909 1.30910 1.72447 -66.69889 362.57000
9335.0000 -67.91228 -66.47827 1.43400 1.73907 -66.56423 354.71136
9340.0000 -67.35884 -65.93770 1.42114 1.77625 -66.22145 411.36855
9345.0000 -67.68264 -66.24207 1.44056 1.80669 -65.94070 453.79650
9350.0000 -67.47293 -66.05440 1.41853 1.77946 -66.19184 398.64498
9355.0000 -67.94045 -66.94364 0.99680 1.71239 -66.81028 320.47700
9360.0000 -68.15576 -66.57018 1.58558 1.74578 -66.50241 358.50694
9365.0000 -68.24967 -66.97082 1.27886 1.74524 -66.50737 361.58993
9370.0000 -67.77382 -66.31539 1.45843 1.73184 -66.63097 373.82560
9375.0000 -67.85135 -66.47006 1.38129 1.79769 -66.02370 448.87754
9380.0000 -67.70171 -66.34240 1.35931 1.76446 -66.33016 398.73175
9385.0000 -67.98283 -66.54404 1.43879 1.75956 -66.37528 406.71455
9390.0000 -67.96678 -66.30721 1.65957 1.72440 -66.69949 359.98972
9395.0000 -68.18182 -66.59329 1.58853 1.74295 -66.52847 378.58628
9400.0000 -68.27624 -66.71559 1.56065 1.73731 -66.58052 379.94363
9405.0000 -67.98259 -66.40170 1.58089 1.74595 -66.50078 391.41815
9410.0000 -67.91863 -66.76804 1.15059 1.73906 -66.56431 372.10940
9415.0000 -68.16388 -67.00870 1.15517 1.70569 -66.87203 349.14809
9420.0000 -67.89500 -66.75674 1.13826 1.72724 -66.67331 372.38684
9425.0000 -67.77525 -66.35470 1.42055 1.72309 -66.71160 366.91812
9430.0000 -67.63145 -66.16642 1.46503 1.78193 -66.16904 418.58503
9435.0000 -67.81889 -66.24442 1.57447 1.78622 -66.12950 415.26844
9440.0000 -68.08943 -66.52705 1.56238 1.74874 -66.47510 376.13838
9445.0000 -68.08498 -66.57270 1.51227 1.73945 -66.56079 356.61643
9450.0000 -67.88411 -66.33479 1.54932 1.73122 -66.63664 363.67324
9455.0000 -67.60053 -66.20928 1.39125 1.78119 -66.17586 421.74767
9460.0000 -67.62576 -66.01946 1.60630 1.78600 -66.13153 419.20501
9465.0000 -67.74136 -66.34423 1.39713 1.77684 -66.21597 405.26772
9470.0000 -67.39162 -66.17908 1.21254 1.77266 -66.25452 392.87883
9475.0000 -67.48071 -66.21766 1.26305 1.77254 -66.25560 383.28558
9480.0000 -68.10455 -66.70149 1.40306 1.72980 -66.64975 358.18082
9485.0000 -68.03795 -66.55688 1.48107 1.74072 -66.54900 365.91951
9490.0000 -67.91715 -66.74911 1.16804 1.73140 -66.63502 347.42572
9495.0000 -68.01918 -66.75650 1.26268 1.72436 -66.69989 339.08289
9500.0000 -67.98328 -66.68346 1.29983 1.73262 -66.62371 348.53211
FREEZING PROCESS: loop number 39 T-loop= 349.00000000000000
main_MD> interactions number 39 at Temperature= 349.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.36821 0.19006 0.27510
force_rgl> df(natom) 1.05282 1.59629 -0.68214
9505.0000 -67.88294 -66.91364 0.96930 1.70501 -66.87834 323.17358
9510.0000 -68.09681 -66.88990 1.20692 1.69986 -66.92579 318.86598
9515.0000 -68.19469 -66.95346 1.24123 1.71995 -66.74058 322.94263
9520.0000 -67.61675 -66.26050 1.35625 1.73738 -66.57987 349.87119
9525.0000 -67.81643 -66.68313 1.13330 1.74265 -66.53126 348.71225
9530.0000 -67.82081 -66.89465 0.92616 1.70297 -66.89717 292.74922
9535.0000 -67.84168 -66.47365 1.36802 1.73484 -66.60330 337.30489
9540.0000 -67.81452 -66.43797 1.37655 1.73427 -66.60855 358.25029
9545.0000 -67.54621 -66.39061 1.15561 1.75576 -66.41039 380.41701
9550.0000 -67.50666 -65.97144 1.53522 1.80478 -65.95832 436.70736
9555.0000 -67.63753 -66.27755 1.35998 1.77459 -66.23670 401.89935
9560.0000 -68.17957 -66.62400 1.55557 1.75689 -66.39993 375.05377
9565.0000 -67.84200 -66.66347 1.17854 1.74367 -66.52183 377.74189
9570.0000 -67.78805 -66.37895 1.40909 1.73643 -66.58856 361.96954
9575.0000 -67.78584 -66.55447 1.23138 1.74180 -66.53905 368.90554
9580.0000 -68.15570 -66.85543 1.30027 1.71512 -66.78510 337.50118
9585.0000 -67.80720 -66.51258 1.29462 1.71357 -66.79940 339.88716
9590.0000 -68.00506 -66.72180 1.28326 1.73085 -66.64001 351.94471
9595.0000 -68.07706 -66.38564 1.69142 1.72799 -66.66642 354.17277
9600.0000 -67.73010 -66.74456 0.98554 1.69321 -66.98716 327.55886
9605.0000 -67.70131 -66.48915 1.21216 1.74167 -66.54025 381.09457
9610.0000 -68.06321 -66.67935 1.38386 1.74953 -66.46782 390.31063
9615.0000 -67.85735 -66.20851 1.64883 1.77082 -66.27154 418.25975
9620.0000 -68.00121 -66.46538 1.53583 1.74720 -66.48927 371.83124
9625.0000 -67.72887 -66.69938 1.02949 1.75300 -66.43581 374.77577
9630.0000 -67.85048 -66.86980 0.98068 1.70760 -66.85443 327.26308
9635.0000 -68.08034 -66.83711 1.24323 1.72402 -66.70300 351.89103
9640.0000 -67.81849 -66.62913 1.18936 1.73093 -66.63930 357.15241
9645.0000 -67.78352 -66.54952 1.23400 1.73664 -66.58669 353.89234
9650.0000 -67.98849 -66.78213 1.20636 1.74343 -66.52406 361.28438
9655.0000 -67.81706 -66.69917 1.11789 1.71202 -66.81371 314.50871
9660.0000 -68.17776 -66.83461 1.34315 1.72096 -66.73123 327.68803
9665.0000 -67.76617 -66.62061 1.14556 1.72962 -66.65143 358.76415
9670.0000 -68.20938 -66.92610 1.28328 1.73867 -66.56797 357.96313
9675.0000 -67.83945 -66.66933 1.17012 1.71047 -66.82799 314.96120
9680.0000 -68.04791 -66.51482 1.53309 1.72665 -66.67881 351.37247
9685.0000 -68.12023 -66.60146 1.51877 1.73820 -66.57227 366.70567
9690.0000 -68.25504 -66.74382 1.51121 1.72266 -66.71560 348.08663
9695.0000 -67.85042 -66.55026 1.30016 1.72738 -66.67201 347.91832
9700.0000 -67.93522 -66.69212 1.24310 1.73796 -66.57446 364.46514
9705.0000 -67.70414 -66.62459 1.07954 1.73256 -66.62424 360.43994
9710.0000 -67.54484 -66.22494 1.31990 1.78055 -66.18176 407.35519
9715.0000 -67.57243 -66.49852 1.07390 1.78923 -66.10176 419.34864
9720.0000 -67.96363 -66.84645 1.11718 1.73915 -66.56356 366.73983
9725.0000 -67.85252 -66.73341 1.11911 1.71105 -66.82264 325.72936
9730.0000 -67.47612 -66.00513 1.47099 1.75550 -66.41278 346.58599
9735.0000 -67.85382 -66.57336 1.28046 1.75535 -66.41411 367.33934
9740.0000 -68.02457 -66.64222 1.38235 1.74169 -66.54011 367.16042
9745.0000 -67.91809 -66.47738 1.44071 1.74783 -66.48348 378.61859
9750.0000 -68.22865 -66.98113 1.24753 1.71831 -66.75565 345.03314
FREEZING PROCESS: loop number 40 T-loop= 324.00000000000000
main_MD> interactions number 40 at Temperature= 324.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28617 0.96223 2.76160
force_rgl> df(natom) 0.86454 -2.33370 -1.89730
9755.0000 -67.96301 -66.44524 1.51777 1.71970 -66.74290 363.70773
9760.0000 -68.17727 -66.82224 1.35504 1.70630 -66.86645 345.10980
9765.0000 -68.07672 -66.86624 1.21048 1.71048 -66.82787 336.94717
9770.0000 -68.35866 -67.11520 1.24347 1.70478 -66.88042 344.62358
9775.0000 -68.23559 -66.93141 1.30418 1.70461 -66.88204 334.24189
9780.0000 -67.97910 -66.83064 1.14846 1.70260 -66.90055 342.86087
9785.0000 -68.19513 -66.98361 1.21152 1.68904 -67.02556 309.25765
9790.0000 -68.31428 -67.18554 1.12874 1.66679 -67.23075 281.50136
9795.0000 -68.15645 -67.06610 1.09035 1.67835 -67.12413 297.69778
9800.0000 -68.29400 -67.20170 1.09230 1.68034 -67.10579 288.70661
9805.0000 -68.00693 -66.76567 1.24125 1.70898 -66.84175 327.38316
9810.0000 -68.12767 -66.76826 1.35941 1.70802 -66.85060 322.54787
9815.0000 -68.03889 -66.98803 1.05086 1.71810 -66.75761 330.85351
9820.0000 -68.10120 -66.85980 1.24140 1.71867 -66.75235 331.26179
9825.0000 -67.61209 -66.68961 0.92248 1.70943 -66.83759 316.47640
9830.0000 -67.88940 -66.75472 1.13468 1.73173 -66.63191 344.95519
9835.0000 -68.00630 -66.64016 1.36614 1.72036 -66.73682 333.76838
9840.0000 -67.98157 -66.82086 1.16071 1.72650 -66.68016 335.81581
9845.0000 -67.70693 -66.35512 1.35181 1.71972 -66.74269 332.64580
9850.0000 -67.48242 -66.46455 1.01787 1.74401 -66.51871 373.18688
9855.0000 -67.69912 -66.79031 0.90881 1.72217 -66.72009 328.67958
9860.0000 -67.59468 -66.41794 1.17674 1.74314 -66.52670 368.02364
9865.0000 -68.10820 -67.15465 0.95355 1.70517 -66.87684 324.08556
9870.0000 -68.30635 -67.35398 0.95237 1.65769 -67.31465 273.17137
9875.0000 -68.37397 -67.02901 1.34496 1.66369 -67.25935 280.80431
9880.0000 -68.23734 -66.78736 1.44999 1.68747 -67.04008 309.12485
9885.0000 -68.08861 -66.84277 1.24584 1.70592 -66.86990 328.77586
9890.0000 -67.80421 -66.80273 1.00148 1.70373 -66.89011 323.14659
9895.0000 -68.02677 -66.81508 1.21170 1.71229 -66.81119 329.51078
9900.0000 -67.85485 -66.57469 1.28015 1.72225 -66.71932 329.81520
9905.0000 -67.94022 -66.46410 1.47612 1.72161 -66.72526 329.43383
9910.0000 -67.67723 -66.22000 1.45723 1.76469 -66.32806 377.83325
9915.0000 -67.59128 -66.55896 1.03232 1.75085 -66.45565 363.78600
9920.0000 -68.03664 -67.03415 1.00248 1.74147 -66.54209 357.67745
9925.0000 -68.05233 -66.87285 1.17948 1.71782 -66.76017 328.30167
9930.0000 -68.00564 -67.12365 0.88199 1.69707 -66.95156 306.20062
9935.0000 -68.17803 -67.08100 1.09703 1.68522 -67.06078 290.81852
9940.0000 -67.71467 -66.56072 1.15395 1.70925 -66.83918 317.62641
9945.0000 -67.76529 -66.21644 1.54886 1.74341 -66.52423 359.76438
9950.0000 -67.72209 -66.65125 1.07085 1.75393 -66.42725 372.19062
9955.0000 -67.92665 -66.98475 0.94190 1.69909 -66.93289 287.69935
9960.0000 -67.51384 -66.53376 0.98008 1.71955 -66.74420 331.85998
9965.0000 -68.21296 -67.08676 1.12620 1.70763 -66.85414 317.02374
9970.0000 -68.00537 -67.01976 0.98561 1.68645 -67.04943 289.77018
9975.0000 -68.22794 -67.14179 1.08614 1.67276 -67.17573 281.52961
9980.0000 -68.13322 -67.07533 1.05789 1.67682 -67.13829 285.82431
9985.0000 -68.42888 -67.18328 1.24560 1.68760 -67.03887 298.66130
9990.0000 -68.12112 -67.01696 1.10416 1.68149 -67.09522 297.29077
9995.0000 -68.16426 -67.10669 1.05757 1.67976 -67.11119 281.53095
10000.0000 -68.14414 -67.21161 0.93252 1.67262 -67.17698 282.13948
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 19.0637718 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink