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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_14/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_14.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 = 14 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: 14 1400
main_MD> Size of nv and nvoiz: 14 1400
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 = 14
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> -0.23198686495993673 -6.2391739206651052E-002 -0.28414287114748149 initial drift of cluster / NP1 for coalescence
init> 0.32343094401615186 0.43254753467981821 0.23384172384944066 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.9037171341151531E-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) 1.78685 -0.50079 -2.70683
force_rgl> df(natom) 0.58530 -1.07138 0.48028
preparo> THERMALIZATION PROCESS AT 1314.5799089116049
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -26.538317770468460 2.5375392445759872 -29.075857015044448 6.0666266051554590E-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= 1297.0000000000000
main_MD> interactions number 1 at Temperature= 1297.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20120 1.89165 -3.46964
force_rgl> df(natom) -1.55533 -2.77043 -1.10447
5.0000 -30.11185 -27.40000 2.71185 2.38708 -27.43395 1274.08528
10.0000 -29.08109 -26.54799 2.53310 2.44674 -27.08744 1187.29408
15.0000 -29.27017 -27.31622 1.95394 2.51301 -26.70246 1374.31420
20.0000 -29.46529 -27.00363 2.46166 2.42520 -27.21253 1387.19289
25.0000 -29.62773 -28.25050 1.37723 2.35907 -27.59667 1162.82204
30.0000 -30.28646 -28.06692 2.21954 2.36968 -27.53506 1241.01984
35.0000 -30.72496 -28.02300 2.70196 2.22923 -28.35087 1199.38241
40.0000 -30.05690 -27.12740 2.92950 2.30245 -27.92556 1226.80702
45.0000 -30.01381 -28.41223 1.60159 2.49215 -26.82365 1413.30253
50.0000 -29.40541 -27.71613 1.68928 2.27779 -28.06879 1043.83410
55.0000 -29.35804 -26.41312 2.94491 2.41422 -27.27634 1407.78413
60.0000 -30.71076 -27.67695 3.03382 2.43814 -27.13739 1244.10325
65.0000 -29.76354 -27.16546 2.59808 2.37965 -27.47712 1294.06536
70.0000 -29.76563 -28.32987 1.43576 2.25302 -28.21266 1063.40226
75.0000 -29.47522 -27.16123 2.31399 2.34233 -27.69392 1129.77403
80.0000 -29.30591 -26.52879 2.77712 2.48320 -26.87561 1376.81394
85.0000 -28.75978 -26.51511 2.24467 2.62370 -26.05950 1552.30526
90.0000 -30.29186 -27.26179 3.03007 2.46530 -26.97959 1352.18186
95.0000 -29.57778 -27.51299 2.06479 2.38174 -27.46500 1212.73672
100.0000 -29.75623 -27.87687 1.87936 2.27892 -28.06225 1115.87244
105.0000 -29.56239 -26.44440 3.11799 2.46125 -27.00313 1356.69281
110.0000 -30.60137 -27.92377 2.67759 2.45301 -27.05097 1262.75384
115.0000 -28.71495 -27.05249 1.66246 2.39299 -27.39964 1210.40355
120.0000 -30.28852 -28.01120 2.27732 2.38342 -27.45521 1271.29606
125.0000 -29.91715 -28.62884 1.28831 2.18629 -28.60030 1211.57174
130.0000 -29.88137 -27.77799 2.10338 2.29426 -27.97316 1119.66898
135.0000 -30.12186 -27.31493 2.80693 2.31654 -27.84369 1188.45472
140.0000 -29.44361 -27.29519 2.14842 2.35992 -27.59172 1119.71909
145.0000 -28.77535 -25.52815 3.24720 2.48832 -26.84591 1332.96372
150.0000 -29.35459 -27.18942 2.16517 2.48938 -26.83975 1342.81110
155.0000 -29.80880 -28.10217 1.70663 2.38218 -27.46244 1236.57790
160.0000 -30.18601 -28.01088 2.17514 2.26774 -28.12717 1022.44929
165.0000 -29.58040 -27.74451 1.83589 2.32635 -27.78671 1242.78813
170.0000 -29.89687 -27.10871 2.78816 2.39264 -27.40165 1196.41706
175.0000 -30.15248 -27.61718 2.53531 2.33842 -27.71660 1224.55865
180.0000 -30.32036 -27.23265 3.08771 2.40053 -27.35586 1207.88295
185.0000 -30.21651 -27.27392 2.94260 2.42507 -27.21327 1301.59856
190.0000 -28.88213 -26.34914 2.53300 2.47524 -26.92186 1335.58080
195.0000 -28.97524 -26.58260 2.39263 2.47407 -26.92865 1357.09938
200.0000 -29.81957 -27.35308 2.46649 2.35474 -27.62182 1212.32728
205.0000 -29.44380 -27.66084 1.78296 2.30219 -27.92705 1069.74032
210.0000 -30.19465 -27.84936 2.34529 2.34012 -27.70677 1139.20960
215.0000 -29.65516 -27.83850 1.81666 2.41093 -27.29541 1254.19749
220.0000 -29.65784 -27.18762 2.47022 2.42495 -27.21399 1308.13227
225.0000 -29.38471 -26.86305 2.52166 2.43567 -27.15172 1167.36668
230.0000 -29.07677 -26.56763 2.50914 2.62083 -26.07619 1596.75893
235.0000 -30.03771 -27.23570 2.80200 2.43257 -27.16972 1254.86585
240.0000 -28.24610 -25.99335 2.25275 2.56559 -26.39702 1455.12339
245.0000 -29.13416 -26.84121 2.29295 2.68199 -25.72092 1607.27539
250.0000 -28.88453 -26.04030 2.84423 2.57966 -26.31530 1414.22579
FREEZING PROCESS: loop number 2 T-loop= 1272.0000000000000
main_MD> interactions number 2 at Temperature= 1272.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.67546 -1.91467 -3.80350
force_rgl> df(natom) 0.07307 1.52522 2.24478
255.0000 -29.72709 -27.62158 2.10551 2.51051 -26.71701 1384.42539
260.0000 -29.86396 -27.17472 2.68924 2.38617 -27.43927 1281.07020
265.0000 -29.55036 -26.73702 2.81334 2.42031 -27.24092 1233.68221
270.0000 -29.83729 -27.62029 2.21700 2.47973 -26.89576 1365.15968
275.0000 -30.03523 -27.63140 2.40384 2.28401 -28.03265 1059.80996
280.0000 -30.33807 -28.58818 1.74988 2.31417 -27.85751 1157.49903
285.0000 -30.72732 -28.96729 1.76002 2.13735 -28.88461 1060.06967
290.0000 -30.35940 -28.72943 1.62997 2.21968 -28.40634 1106.92431
295.0000 -29.56672 -27.76010 1.80662 2.18163 -28.62737 1053.34145
300.0000 -29.30830 -27.16759 2.14072 2.39085 -27.41204 1182.21304
305.0000 -29.61006 -27.12307 2.48700 2.51120 -26.71300 1369.12332
310.0000 -30.75390 -28.36981 2.38409 2.27775 -28.06901 1135.48780
315.0000 -30.80017 -29.18521 1.61496 2.14035 -28.86717 1044.22278
320.0000 -29.84695 -27.66809 2.17886 2.21871 -28.41196 1020.65975
325.0000 -29.73233 -27.63795 2.09438 2.30273 -27.92394 1086.59659
330.0000 -29.46928 -27.69179 1.77748 2.32198 -27.81210 1239.82795
335.0000 -29.22872 -27.09995 2.12877 2.32158 -27.81445 1149.86333
340.0000 -29.89143 -27.20548 2.68595 2.41409 -27.27706 1234.96373
345.0000 -30.02212 -27.29497 2.72716 2.39452 -27.39077 1246.04264
350.0000 -30.28053 -28.80227 1.47826 2.23351 -28.32602 1128.13491
355.0000 -29.88505 -27.81167 2.07338 2.18041 -28.63448 884.91856
360.0000 -30.13540 -27.81815 2.31725 2.33028 -27.76392 1241.34331
365.0000 -29.77171 -27.52533 2.24638 2.39248 -27.40259 1189.04232
370.0000 -29.38480 -26.80180 2.58300 2.55860 -26.43765 1466.05669
375.0000 -29.49267 -28.08048 1.41219 2.38432 -27.45001 1246.39163
380.0000 -30.01692 -28.38299 1.63393 2.22912 -28.35150 1029.18983
385.0000 -29.28046 -26.72120 2.55926 2.37323 -27.51443 1263.64795
390.0000 -29.31090 -27.23812 2.07279 2.47843 -26.90333 1441.16350
395.0000 -30.43482 -27.19937 3.23546 2.44575 -27.09316 1393.04464
400.0000 -28.98468 -26.34975 2.63492 2.53957 -26.54819 1445.31531
405.0000 -29.18858 -25.48588 3.70270 2.61070 -26.13502 1507.39427
410.0000 -29.19977 -27.35278 1.84698 2.52294 -26.64481 1308.27025
415.0000 -30.53704 -28.53099 2.00604 2.36275 -27.57526 1210.54972
420.0000 -30.54412 -28.28058 2.26353 2.20658 -28.48242 975.78916
425.0000 -30.17614 -28.35223 1.82391 2.34304 -27.68981 1213.71642
430.0000 -30.06542 -27.33690 2.72853 2.36105 -27.58519 1170.28984
435.0000 -29.78126 -27.80702 1.97424 2.37726 -27.49101 1349.78930
440.0000 -29.66602 -27.27145 2.39457 2.40769 -27.31427 1319.37398
445.0000 -30.90696 -28.47984 2.42712 2.28098 -28.05029 1093.51427
450.0000 -30.07486 -28.33799 1.73687 2.16937 -28.69859 1011.65157
455.0000 -29.20809 -27.29547 1.91263 2.28888 -28.00442 1146.87942
460.0000 -29.46714 -27.14112 2.32603 2.46291 -26.99348 1326.60175
465.0000 -29.89341 -27.67654 2.21687 2.51404 -26.69646 1299.82762
470.0000 -30.30220 -28.44319 1.85902 2.33113 -27.75896 1194.21996
475.0000 -29.62072 -27.80890 1.81182 2.24914 -28.23523 1065.12445
480.0000 -29.46098 -27.56138 1.89960 2.28879 -28.00490 1075.00030
485.0000 -29.73468 -27.86078 1.87390 2.42741 -27.19971 1378.26997
490.0000 -29.99469 -27.63142 2.36327 2.39827 -27.36897 1343.70373
495.0000 -30.50155 -28.58379 1.91776 2.31773 -27.83680 1171.79440
500.0000 -29.66260 -27.62160 2.04100 2.32273 -27.80773 1149.28609
FREEZING PROCESS: loop number 3 T-loop= 1247.0000000000000
main_MD> interactions number 3 at Temperature= 1247.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.48988 -0.07458 0.90451
force_rgl> df(natom) 0.16037 -2.06988 2.28814
505.0000 -29.39642 -27.72343 1.67299 2.30309 -27.92186 1235.30833
510.0000 -29.90545 -28.10863 1.79682 2.31976 -27.82500 1195.89628
515.0000 -29.96375 -27.77804 2.18571 2.25266 -28.21476 1052.67847
520.0000 -28.31649 -26.61575 1.70074 2.34375 -27.68565 1138.77591
525.0000 -28.76443 -26.81937 1.94506 2.53090 -26.59852 1575.92566
530.0000 -30.26109 -27.40537 2.85573 2.38984 -27.41792 1302.23057
535.0000 -30.25448 -28.57748 1.67699 2.34102 -27.70151 1152.82826
540.0000 -30.35117 -28.51620 1.83497 2.24571 -28.25517 1077.21006
545.0000 -30.04405 -28.86400 1.18005 2.19435 -28.55349 960.07208
550.0000 -30.62418 -28.62708 1.99710 2.21010 -28.46199 969.72320
555.0000 -31.34473 -29.22494 2.11978 2.15251 -28.79651 1026.42968
560.0000 -30.15771 -27.68452 2.47319 2.15984 -28.75396 1069.24459
565.0000 -29.85304 -27.19120 2.66184 2.36731 -27.54883 1229.79819
570.0000 -29.72199 -28.26034 1.46165 2.32901 -27.77130 1126.00554
575.0000 -29.09556 -26.33017 2.76539 2.44515 -27.09663 1256.84789
580.0000 -28.86115 -26.09318 2.76796 2.63498 -25.99398 1636.29049
585.0000 -30.18116 -27.41126 2.76990 2.52834 -26.61344 1383.88926
590.0000 -30.57526 -28.82049 1.75477 2.34883 -27.65617 1202.61635
595.0000 -29.84406 -26.98286 2.86120 2.30045 -27.93718 1133.98597
600.0000 -30.03830 -27.40926 2.62904 2.40859 -27.30902 1322.24726
605.0000 -29.84339 -27.17489 2.66849 2.37710 -27.49194 1297.09336
610.0000 -29.31085 -26.77752 2.53332 2.43986 -27.12735 1335.18824
615.0000 -29.83303 -27.31376 2.51926 2.39500 -27.38793 1267.09399
620.0000 -30.31058 -27.73768 2.57291 2.39024 -27.41560 1256.96907
625.0000 -30.56321 -29.36814 1.19507 2.25595 -28.19566 1155.50422
630.0000 -30.56092 -28.20370 2.35722 2.10189 -29.09056 906.96982
635.0000 -31.14732 -28.10854 3.03878 2.23837 -28.29779 1145.15957
640.0000 -29.62071 -27.40129 2.21942 2.31879 -27.83065 1279.29220
645.0000 -29.94148 -27.39076 2.55072 2.39945 -27.36209 1335.05455
650.0000 -29.20656 -26.67269 2.53388 2.52338 -26.64224 1320.08424
655.0000 -28.29969 -26.98183 1.31786 2.44516 -27.09657 1252.06813
660.0000 -28.91499 -26.19244 2.72255 2.48824 -26.84635 1275.34086
665.0000 -30.43016 -28.58404 1.84612 2.28438 -28.03051 1114.71889
670.0000 -30.93261 -28.76345 2.16916 2.27718 -28.07235 1281.61514
675.0000 -30.64831 -28.57141 2.07690 2.21801 -28.41604 1132.21459
680.0000 -30.22687 -27.60043 2.62644 2.34697 -27.66695 1200.83522
685.0000 -30.78979 -29.04112 1.74866 2.26370 -28.15066 1175.86036
690.0000 -31.13199 -29.51020 1.62180 2.14122 -28.86210 974.64356
695.0000 -30.89520 -29.55336 1.34184 2.17008 -28.69447 1027.95127
700.0000 -30.77487 -29.34044 1.43443 2.03735 -29.46546 811.41258
705.0000 -30.53719 -27.78573 2.75146 2.19353 -28.55826 1046.22180
710.0000 -29.77430 -27.62148 2.15282 2.30237 -27.92602 1127.01948
715.0000 -30.11653 -27.86075 2.25577 2.40631 -27.32227 1374.87599
720.0000 -29.72582 -27.28448 2.44134 2.38021 -27.47384 1256.33030
725.0000 -29.71872 -26.98019 2.73853 2.49737 -26.79332 1404.61398
730.0000 -29.83305 -28.03399 1.79906 2.35287 -27.63268 1256.44498
735.0000 -28.53166 -26.00875 2.52291 2.50153 -26.76913 1393.18535
740.0000 -30.38685 -27.09742 3.28943 2.56823 -26.38170 1464.76892
745.0000 -29.07529 -26.96485 2.11044 2.46240 -26.99642 1427.05700
750.0000 -29.17086 -27.42919 1.74167 2.45538 -27.03720 1404.81344
FREEZING PROCESS: loop number 4 T-loop= 1222.0000000000000
main_MD> interactions number 4 at Temperature= 1222.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.07850 -1.64966 0.98025
force_rgl> df(natom) 1.42739 -0.48474 -0.62320
755.0000 -30.31625 -28.06900 2.24725 2.30554 -27.90764 1127.64080
760.0000 -29.55120 -27.69639 1.85481 2.30207 -27.92775 1125.39096
765.0000 -30.26110 -27.77905 2.48205 2.35587 -27.61523 1260.29669
770.0000 -29.85862 -27.79479 2.06383 2.35935 -27.59507 1222.33123
775.0000 -29.93399 -27.23324 2.70075 2.43624 -27.14839 1326.42615
780.0000 -28.54138 -26.59959 1.94179 2.49845 -26.78706 1387.95507
785.0000 -29.95506 -28.03961 1.91545 2.32151 -27.81485 1259.50787
790.0000 -29.71500 -27.25249 2.46251 2.30872 -27.88913 1153.08242
795.0000 -29.21183 -27.23720 1.97463 2.49250 -26.82161 1429.54355
800.0000 -29.05550 -26.29888 2.75662 2.51938 -26.66545 1383.76910
805.0000 -27.61900 -25.09218 2.52683 2.51366 -26.69872 1325.55082
810.0000 -29.95566 -28.27747 1.67819 2.53283 -26.58735 1503.50810
815.0000 -29.93597 -27.73866 2.19730 2.39174 -27.40690 1285.57592
820.0000 -29.33067 -27.13652 2.19415 2.31348 -27.86151 1176.26999
825.0000 -29.61305 -27.81648 1.79657 2.43765 -27.14024 1288.51036
830.0000 -30.14497 -28.26373 1.88124 2.36708 -27.55016 1150.73257
835.0000 -29.84983 -27.36562 2.48421 2.30344 -27.91980 1112.83189
840.0000 -29.76448 -27.81493 1.94955 2.17734 -28.65230 1042.96706
845.0000 -29.70039 -27.61843 2.08195 2.40280 -27.34265 1267.24455
850.0000 -29.62707 -27.72640 1.90067 2.37481 -27.50523 1207.80955
855.0000 -28.94860 -26.56976 2.37883 2.49610 -26.80067 1352.50272
860.0000 -28.10725 -26.12377 1.98349 2.55866 -26.43732 1342.21860
865.0000 -28.65154 -26.35375 2.29780 2.54132 -26.53803 1357.04609
870.0000 -28.16023 -25.20206 2.95817 2.60016 -26.19623 1444.32362
875.0000 -29.43792 -26.61209 2.82583 2.50307 -26.76018 1477.20649
880.0000 -29.11481 -27.59133 1.52347 2.44713 -27.08512 1291.63181
885.0000 -29.97663 -27.87815 2.09848 2.45341 -27.04868 1326.62894
890.0000 -29.76102 -27.91455 1.84647 2.31808 -27.83476 1083.12952
895.0000 -30.37051 -27.66727 2.70324 2.35694 -27.60905 1198.49676
900.0000 -29.24099 -27.15396 2.08702 2.37120 -27.52619 1294.48762
905.0000 -29.59984 -27.56221 2.03763 2.45515 -27.03857 1286.50051
910.0000 -29.56412 -27.78193 1.78218 2.42444 -27.21695 1293.82126
915.0000 -29.09764 -26.45706 2.64057 2.43057 -27.18135 1174.10003
920.0000 -27.87708 -25.55185 2.32523 2.72452 -25.47384 1603.08493
925.0000 -29.33503 -27.17374 2.16128 2.56388 -26.40696 1416.36773
930.0000 -28.93725 -26.49742 2.43982 2.42167 -27.23306 1246.36439
935.0000 -29.51756 -27.94342 1.57414 2.38388 -27.45258 1274.23762
940.0000 -28.86913 -27.57374 1.29539 2.28749 -28.01244 1082.00307
945.0000 -30.13128 -27.94388 2.18740 2.39658 -27.37877 1165.28934
950.0000 -29.59186 -27.51557 2.07629 2.35667 -27.61059 1213.52754
955.0000 -29.40785 -26.20275 3.20509 2.45669 -27.02962 1321.31745
960.0000 -29.68223 -27.89452 1.78771 2.47587 -26.91819 1440.51832
965.0000 -29.12494 -27.57749 1.54745 2.25423 -28.20567 1094.43675
970.0000 -29.12689 -27.01875 2.10814 2.38427 -27.45031 1184.18842
975.0000 -30.33139 -28.51603 1.81535 2.25350 -28.20990 1085.66081
980.0000 -29.97240 -28.28849 1.68391 2.19275 -28.56278 941.69386
985.0000 -30.77985 -29.17113 1.60871 2.19282 -28.56239 1035.23320
990.0000 -30.11455 -28.07203 2.04251 2.22068 -28.40052 1037.15555
995.0000 -29.68659 -27.81856 1.86803 2.32695 -27.78325 1154.02120
1000.0000 -29.78620 -27.67763 2.10857 2.38165 -27.46551 1265.86183
FREEZING PROCESS: loop number 5 T-loop= 1197.0000000000000
main_MD> interactions number 5 at Temperature= 1197.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.92826 1.24574 2.18868
force_rgl> df(natom) -0.06266 -2.36490 0.56701
1005.0000 -29.82635 -27.71450 2.11185 2.37833 -27.48477 1251.70846
1010.0000 -29.56278 -28.09545 1.46733 2.33822 -27.71778 1119.44989
1015.0000 -30.05865 -27.51618 2.54247 2.29153 -27.98902 1077.07813
1020.0000 -30.43556 -28.19732 2.23824 2.30746 -27.89645 1236.27315
1025.0000 -30.23446 -28.84265 1.39181 2.24307 -28.27050 1143.37024
1030.0000 -30.61300 -28.25076 2.36224 2.17202 -28.68322 1078.44427
1035.0000 -30.27602 -28.58365 1.69237 2.19238 -28.56494 1055.59667
1040.0000 -30.25459 -28.64507 1.60952 2.17293 -28.67792 1027.31157
1045.0000 -30.02445 -28.21634 1.80811 2.19255 -28.56396 1056.82914
1050.0000 -30.41786 -28.93654 1.48133 2.16970 -28.69667 1026.80687
1055.0000 -30.11234 -28.54513 1.56721 2.18350 -28.61653 1012.23815
1060.0000 -30.31966 -27.93551 2.38415 2.25974 -28.17368 1063.10843
1065.0000 -29.14908 -26.66401 2.48507 2.46431 -26.98537 1379.57582
1070.0000 -28.05168 -26.01298 2.03870 2.53195 -26.59244 1398.35114
1075.0000 -29.95323 -26.82413 3.12910 2.43545 -27.15298 1299.31070
1080.0000 -29.36117 -26.70392 2.65725 2.49701 -26.79538 1403.58120
1085.0000 -28.91794 -26.97713 1.94081 2.46514 -26.98051 1316.36773
1090.0000 -28.87310 -26.82264 2.05046 2.56722 -26.38757 1492.72961
1095.0000 -29.99137 -27.60925 2.38212 2.48600 -26.85937 1263.81320
1100.0000 -30.44255 -27.75280 2.68975 2.31963 -27.82578 1165.54614
1105.0000 -29.97683 -27.90006 2.07676 2.27045 -28.11142 1141.24639
1110.0000 -30.41236 -27.73916 2.67320 2.41081 -27.29614 1335.83521
1115.0000 -30.87794 -28.49476 2.38318 2.25862 -28.18018 1119.98725
1120.0000 -31.34448 -29.06628 2.27820 2.14278 -28.85305 997.92105
1125.0000 -29.28401 -26.92529 2.35872 2.28486 -28.02772 1126.28304
1130.0000 -29.05620 -26.91092 2.14529 2.50462 -26.75119 1367.08150
1135.0000 -27.69936 -25.27946 2.41990 2.56057 -26.42618 1400.75322
1140.0000 -29.43587 -26.56744 2.86843 2.59167 -26.24556 1465.82096
1145.0000 -28.77047 -26.78495 1.98552 2.48458 -26.86761 1486.18836
1150.0000 -30.17899 -27.61161 2.56739 2.37084 -27.52829 1263.60124
1155.0000 -30.51438 -27.43173 3.08265 2.31030 -27.87997 1172.06313
1160.0000 -31.02477 -28.58652 2.43825 2.39406 -27.39341 1280.60736
1165.0000 -29.72778 -27.86806 1.85972 2.17100 -28.68910 918.58223
1170.0000 -29.73133 -26.39301 3.33832 2.46263 -26.99510 1342.77607
1175.0000 -29.68603 -26.64206 3.04396 2.51991 -26.66240 1458.46368
1180.0000 -28.67596 -26.38585 2.29011 2.50841 -26.72918 1377.09474
1185.0000 -30.07648 -26.98789 3.08859 2.51683 -26.68026 1427.89698
1190.0000 -29.43391 -27.70116 1.73274 2.34260 -27.69232 1156.42868
1195.0000 -29.67327 -27.31710 2.35617 2.41982 -27.24380 1216.97538
1200.0000 -30.70076 -27.34162 3.35914 2.32046 -27.82097 1245.98808
1205.0000 -29.13390 -27.52265 1.61124 2.47984 -26.89516 1351.64289
1210.0000 -29.49221 -27.10130 2.39092 2.44844 -27.07755 1286.48529
1215.0000 -29.87764 -28.14453 1.73311 2.30889 -27.88817 1142.27234
1220.0000 -30.09450 -28.15142 1.94308 2.28168 -28.04619 1160.75334
1225.0000 -29.35368 -27.49012 1.86356 2.34765 -27.66299 1206.01586
1230.0000 -30.17000 -27.82370 2.34630 2.41637 -27.26383 1210.30537
1235.0000 -29.69381 -27.06212 2.63169 2.28939 -28.00143 1180.05420
1240.0000 -28.42001 -27.05117 1.36884 2.48686 -26.85437 1395.32028
1245.0000 -30.00104 -27.89499 2.10605 2.45369 -27.04703 1316.66363
1250.0000 -30.23531 -27.83339 2.40193 2.34927 -27.65361 1189.64871
FREEZING PROCESS: loop number 6 T-loop= 1172.0000000000000
main_MD> interactions number 6 at Temperature= 1172.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17463 3.27910 -1.25927
force_rgl> df(natom) 1.83812 -0.23785 -2.93886
1255.0000 -29.79378 -27.66726 2.12651 2.34571 -27.67429 1212.55455
1260.0000 -30.11820 -28.13259 1.98560 2.26320 -28.15357 1194.62383
1265.0000 -30.38591 -28.18913 2.19678 2.24798 -28.24196 1058.88365
1270.0000 -29.88305 -27.30599 2.57706 2.33736 -27.72275 1250.44433
1275.0000 -31.27213 -28.81288 2.45925 2.25422 -28.20571 1066.03590
1280.0000 -30.73096 -29.20200 1.52896 2.12754 -28.94160 1017.06139
1285.0000 -29.87900 -28.42385 1.45515 2.18316 -28.61847 1102.20041
1290.0000 -31.05164 -29.18941 1.86224 2.14410 -28.84539 1075.79116
1295.0000 -29.79808 -27.91044 1.88765 2.21051 -28.45964 1105.28095
1300.0000 -29.80815 -27.61317 2.19498 2.34294 -27.69038 1162.20969
1305.0000 -30.49506 -27.94388 2.55118 2.33002 -27.76544 1196.55133
1310.0000 -31.06516 -28.16482 2.90034 2.25610 -28.19479 1083.34272
1315.0000 -29.73700 -27.10291 2.63410 2.41818 -27.25330 1271.07582
1320.0000 -29.64308 -28.50462 1.13846 2.38575 -27.44167 1152.86753
1325.0000 -30.29312 -27.83871 2.45441 2.27229 -28.10075 1013.95966
1330.0000 -29.67365 -27.06729 2.60636 2.48859 -26.84430 1355.18060
1335.0000 -30.22609 -28.32566 1.90042 2.27757 -28.07006 1038.76984
1340.0000 -30.66780 -27.73811 2.92969 2.20993 -28.46302 1017.71603
1345.0000 -29.79329 -27.17079 2.62250 2.35229 -27.63606 1200.63383
1350.0000 -29.21480 -26.87438 2.34042 2.50236 -26.76433 1397.56994
1355.0000 -29.48973 -27.85632 1.63341 2.41251 -27.28623 1308.68477
1360.0000 -29.59535 -28.01338 1.58197 2.34223 -27.69446 1273.70070
1365.0000 -29.69374 -27.26343 2.43031 2.46509 -26.98080 1284.33668
1370.0000 -29.95791 -28.46782 1.49008 2.32385 -27.80122 1145.87400
1375.0000 -29.40337 -27.80108 1.60229 2.25577 -28.19674 997.91264
1380.0000 -30.23788 -27.86328 2.37460 2.30944 -27.88495 1161.05024
1385.0000 -30.40701 -28.60527 1.80174 2.22503 -28.37527 1021.58119
1390.0000 -31.13543 -29.13501 2.00042 2.21442 -28.43692 1082.62262
1395.0000 -29.25245 -26.48215 2.77030 2.21161 -28.45323 1047.32121
1400.0000 -29.61831 -27.38662 2.23169 2.46958 -26.95472 1284.00139
1405.0000 -29.61851 -27.72891 1.88960 2.28667 -28.01721 1073.37315
1410.0000 -29.79909 -27.79219 2.00689 2.34413 -27.68345 1194.29040
1415.0000 -30.63686 -29.00657 1.63029 2.21805 -28.41580 1087.34684
1420.0000 -30.62399 -27.88058 2.74342 2.22497 -28.37565 1093.72714
1425.0000 -30.08744 -27.59383 2.49361 2.35849 -27.60003 1254.90799
1430.0000 -29.34082 -27.39516 1.94566 2.35015 -27.64849 1150.76832
1435.0000 -30.49222 -27.97041 2.52181 2.27346 -28.09394 1111.97553
1440.0000 -30.17458 -27.88527 2.28931 2.34830 -27.65922 1185.31291
1445.0000 -29.49642 -27.86533 1.63109 2.31316 -27.86332 1156.44577
1450.0000 -31.08315 -29.01229 2.07087 2.27225 -28.10101 1091.15774
1455.0000 -30.11715 -28.42219 1.69495 2.16305 -28.73531 968.64821
1460.0000 -30.63996 -28.98237 1.65758 2.11551 -29.01143 986.60348
1465.0000 -29.97307 -27.59218 2.38089 2.26313 -28.15398 1199.75132
1470.0000 -29.47972 -27.83937 1.64034 2.32908 -27.77088 1282.53074
1475.0000 -30.07368 -27.66966 2.40402 2.41484 -27.27272 1302.05740
1480.0000 -29.90227 -27.51779 2.38448 2.41427 -27.27602 1356.55790
1485.0000 -30.40109 -28.51329 1.88780 2.22789 -28.35867 1068.64345
1490.0000 -30.65478 -28.94630 1.70847 2.16581 -28.71928 986.20423
1495.0000 -30.00183 -28.43849 1.56333 2.12006 -28.98501 952.86973
1500.0000 -30.36682 -29.12080 1.24602 2.18918 -28.58353 982.26761
FREEZING PROCESS: loop number 7 T-loop= 1147.0000000000000
main_MD> interactions number 7 at Temperature= 1147.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.16017 -1.38252 1.25591
force_rgl> df(natom) 0.65671 -0.33309 2.66096
1505.0000 -30.26758 -28.32340 1.94418 2.09265 -29.14425 860.40476
1510.0000 -29.73756 -27.79010 1.94747 2.37439 -27.50767 1323.58899
1515.0000 -30.59541 -27.70454 2.89086 2.38158 -27.46588 1284.40639
1520.0000 -30.11611 -28.63166 1.48445 2.27364 -28.09291 1150.52089
1525.0000 -30.37109 -28.46340 1.90769 2.20318 -28.50221 1050.27655
1530.0000 -30.42006 -27.69027 2.72979 2.31916 -27.82851 1294.57511
1535.0000 -30.15691 -28.53199 1.62492 2.29625 -27.96157 1177.73752
1540.0000 -30.08437 -28.14252 1.94185 2.30364 -27.91864 995.73594
1545.0000 -30.18518 -27.92694 2.25824 2.29616 -27.96209 1117.07464
1550.0000 -30.29199 -28.66225 1.62974 2.20686 -28.48081 1138.29772
1555.0000 -30.21590 -28.05859 2.15732 2.20536 -28.48955 1032.10362
1560.0000 -30.26587 -28.32240 1.94347 2.24577 -28.25480 1144.78806
1565.0000 -28.91848 -27.01307 1.90541 2.45147 -27.05992 1292.79980
1570.0000 -30.38195 -27.41146 2.97049 2.45730 -27.02607 1395.18827
1575.0000 -29.81396 -28.06322 1.75075 2.36923 -27.53763 1196.39422
1580.0000 -29.90872 -27.59703 2.31169 2.22446 -28.37857 1054.29501
1585.0000 -30.08346 -28.01201 2.07145 2.37865 -27.48292 1240.26284
1590.0000 -29.82629 -28.00833 1.81796 2.35848 -27.60010 1182.89855
1595.0000 -29.32495 -27.38382 1.94113 2.38062 -27.47148 1205.09408
1600.0000 -29.97651 -28.03643 1.94008 2.35798 -27.60301 1193.38120
1605.0000 -30.58198 -27.99693 2.58506 2.29807 -27.95100 1149.57144
1610.0000 -30.15340 -27.55002 2.60338 2.34004 -27.70719 1165.30393
1615.0000 -29.76354 -27.68136 2.08218 2.34947 -27.65242 1160.71801
1620.0000 -29.63259 -27.42468 2.20791 2.31123 -27.87455 1055.23506
1625.0000 -28.96960 -26.27801 2.69159 2.51626 -26.68360 1526.88804
1630.0000 -28.79036 -26.98159 1.80877 2.52334 -26.64245 1431.70191
1635.0000 -29.71794 -26.53323 3.18471 2.56372 -26.40791 1503.80273
1640.0000 -30.35889 -27.85059 2.50830 2.38204 -27.46325 1421.90666
1645.0000 -29.33787 -27.05487 2.28300 2.37653 -27.49525 1206.10794
1650.0000 -29.74487 -27.29271 2.45216 2.42807 -27.19586 1280.65715
1655.0000 -29.98229 -27.55018 2.43211 2.37437 -27.50780 1198.23177
1660.0000 -29.88228 -27.65086 2.23142 2.33916 -27.71233 1165.37650
1665.0000 -30.73874 -27.60948 3.12926 2.31993 -27.82401 1243.96012
1670.0000 -29.69701 -27.61374 2.08327 2.38266 -27.45963 1309.41835
1675.0000 -30.40040 -27.01855 3.38185 2.38191 -27.46401 1256.11258
1680.0000 -29.70003 -27.52112 2.17891 2.35455 -27.62294 1178.87051
1685.0000 -30.78060 -28.17400 2.60660 2.36783 -27.54580 1262.39043
1690.0000 -29.90593 -27.73642 2.16951 2.33301 -27.74805 1187.92239
1695.0000 -29.38878 -27.79411 1.59468 2.31799 -27.83527 1210.76292
1700.0000 -29.64078 -27.53000 2.11077 2.33192 -27.75436 1159.24264
1705.0000 -29.61605 -26.90882 2.70723 2.39781 -27.37165 1249.86232
1710.0000 -29.67723 -27.73545 1.94178 2.39890 -27.36530 1236.97378
1715.0000 -30.23003 -28.32059 1.90944 2.33683 -27.72587 1138.53554
1720.0000 -30.83005 -28.73290 2.09715 2.25682 -28.19064 1076.76099
1725.0000 -30.71718 -29.24127 1.47591 2.07932 -29.22165 872.74425
1730.0000 -30.72227 -28.54710 2.17517 2.14894 -28.81725 930.05105
1735.0000 -29.99927 -27.98786 2.01142 2.25347 -28.21005 1193.76902
1740.0000 -30.16364 -27.41290 2.75075 2.25014 -28.22944 1076.44200
1745.0000 -29.58957 -26.36567 3.22390 2.43274 -27.16875 1355.57257
1750.0000 -29.45222 -28.06833 1.38389 2.42159 -27.23348 1248.46547
FREEZING PROCESS: loop number 8 T-loop= 1122.0000000000000
main_MD> interactions number 8 at Temperature= 1122.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.39148 4.13596 0.23769
force_rgl> df(natom) 1.36967 -2.95437 0.96818
1755.0000 -30.23408 -28.06041 2.17368 2.27983 -28.05698 1046.37530
1760.0000 -29.62278 -27.74426 1.87852 2.34432 -27.68237 1235.71269
1765.0000 -29.87026 -28.11810 1.75217 2.22705 -28.36357 1037.91839
1770.0000 -30.26760 -27.98518 2.28242 2.29577 -27.96434 1175.57240
1775.0000 -30.25419 -28.00480 2.24939 2.26244 -28.15797 1145.82063
1780.0000 -29.81197 -26.91879 2.89318 2.35493 -27.62071 1151.36138
1785.0000 -30.08949 -27.34864 2.74085 2.39011 -27.41636 1130.39280
1790.0000 -30.11027 -27.29166 2.81861 2.40731 -27.31647 1282.52073
1795.0000 -29.71884 -27.74275 1.97609 2.34833 -27.65907 1249.55564
1800.0000 -29.81332 -27.99269 1.82063 2.32416 -27.79945 1168.13300
1805.0000 -29.77864 -27.62942 2.14922 2.30116 -27.93303 1099.10900
1810.0000 -30.32333 -28.11161 2.21172 2.29894 -27.94597 1154.51801
1815.0000 -29.30629 -27.70262 1.60367 2.28496 -28.02715 1177.14965
1820.0000 -29.50802 -27.33092 2.17710 2.38261 -27.45992 1213.42989
1825.0000 -29.63706 -27.08330 2.55377 2.47490 -26.92383 1314.87184
1830.0000 -29.01209 -26.06625 2.94583 2.53626 -26.56742 1522.01194
1835.0000 -29.53370 -27.99950 1.53420 2.38416 -27.45090 1239.18673
1840.0000 -30.21776 -28.42513 1.79263 2.30206 -27.92782 1144.14194
1845.0000 -30.87618 -28.06163 2.81455 2.22487 -28.37620 1079.70243
1850.0000 -29.23994 -26.97980 2.26014 2.29145 -27.98946 1088.07660
1855.0000 -29.82582 -27.72500 2.10083 2.52250 -26.64736 1481.04901
1860.0000 -30.25639 -28.40389 1.85250 2.32365 -27.80243 1179.67878
1865.0000 -31.03280 -28.94668 2.08612 2.17710 -28.65369 1004.54907
1870.0000 -30.51718 -28.66488 1.85230 2.10065 -29.09780 947.39570
1875.0000 -29.75583 -27.06460 2.69122 2.30682 -27.90016 1174.02179
1880.0000 -29.08904 -27.28887 1.80017 2.37149 -27.52453 1229.87457
1885.0000 -29.47143 -26.65742 2.81401 2.42308 -27.22484 1322.16250
1890.0000 -29.16978 -27.09231 2.07748 2.37734 -27.49055 1162.12955
1895.0000 -30.61828 -26.52307 4.09521 2.44754 -27.08279 1318.41450
1900.0000 -30.36972 -28.18926 2.18046 2.35194 -27.63810 1308.60827
1905.0000 -30.03112 -28.49743 1.53369 2.19309 -28.56081 1043.84146
1910.0000 -30.06359 -28.12584 1.93774 2.28534 -28.02496 1061.62642
1915.0000 -29.81724 -27.93219 1.88505 2.30569 -27.90673 1228.25763
1920.0000 -30.70417 -28.16219 2.54199 2.35935 -27.59504 1271.20557
1925.0000 -30.13729 -28.14325 1.99405 2.22660 -28.36615 1030.97755
1930.0000 -29.74050 -27.65134 2.08916 2.28008 -28.05548 1115.36635
1935.0000 -29.80566 -27.42353 2.38213 2.33190 -27.75450 1188.74192
1940.0000 -29.02444 -26.84695 2.17749 2.42084 -27.23788 1295.97909
1945.0000 -29.08049 -27.22551 1.85498 2.38435 -27.44985 1273.30137
1950.0000 -29.66200 -27.42093 2.24107 2.41519 -27.27065 1215.47073
1955.0000 -30.10526 -27.08377 3.02149 2.44970 -27.07020 1330.62003
1960.0000 -29.75779 -27.36973 2.38806 2.42548 -27.21091 1310.63474
1965.0000 -29.38764 -27.27133 2.11630 2.39587 -27.38291 1278.46126
1970.0000 -28.95140 -27.28814 1.66327 2.41122 -27.29376 1252.40140
1975.0000 -28.99916 -26.33568 2.66348 2.49222 -26.82323 1315.22381
1980.0000 -29.56116 -26.47049 3.09067 2.49172 -26.82613 1342.85210
1985.0000 -29.90021 -27.69115 2.20906 2.52333 -26.64252 1427.06699
1990.0000 -30.17779 -28.28453 1.89326 2.29693 -27.95760 1081.75199
1995.0000 -30.02432 -28.86762 1.15670 2.22351 -28.38412 1083.34270
2000.0000 -31.02435 -29.25576 1.76859 2.15161 -28.80175 1023.46137
FREEZING PROCESS: loop number 9 T-loop= 1097.0000000000000
main_MD> interactions number 9 at Temperature= 1097.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28139 -3.16687 -1.17656
force_rgl> df(natom) 0.29713 -0.76748 -2.79850
2005.0000 -30.93143 -29.06333 1.86811 2.18673 -28.59778 1081.17876
2010.0000 -31.49890 -29.81361 1.68529 2.14963 -28.81324 989.71967
2015.0000 -30.00721 -28.22010 1.78711 2.12094 -28.97990 981.16949
2020.0000 -30.26596 -28.42542 1.84054 2.26166 -28.16253 1135.50763
2025.0000 -29.75945 -28.36705 1.39240 2.20996 -28.46284 1094.01812
2030.0000 -29.71748 -27.68816 2.02932 2.29469 -27.97061 1141.43081
2035.0000 -29.08575 -27.15006 1.93569 2.46530 -26.97962 1337.08767
2040.0000 -30.44853 -27.70538 2.74316 2.31035 -27.87970 1212.93909
2045.0000 -29.34734 -27.61141 1.73593 2.39213 -27.40461 1206.99708
2050.0000 -29.68308 -28.13780 1.54529 2.38240 -27.46112 1095.43425
2055.0000 -29.89332 -27.47720 2.41611 2.25398 -28.20711 1098.90395
2060.0000 -29.58401 -27.48358 2.10043 2.37150 -27.52446 1347.09111
2065.0000 -30.46115 -28.15937 2.30177 2.41511 -27.27112 1328.10495
2070.0000 -29.75855 -28.41741 1.34114 2.30690 -27.89972 1206.12820
2075.0000 -30.36557 -28.93995 1.42562 2.18546 -28.60513 1057.38813
2080.0000 -29.59844 -28.33928 1.25916 2.15602 -28.77614 1062.27541
2085.0000 -30.02251 -28.55374 1.46878 2.23939 -28.29188 1037.21243
2090.0000 -30.28887 -27.99445 2.29443 2.29491 -27.96934 1132.63123
2095.0000 -30.74840 -27.89151 2.85689 2.39909 -27.36417 1286.60159
2100.0000 -30.21984 -28.15607 2.06377 2.29844 -27.94886 1059.26879
2105.0000 -30.53899 -29.19801 1.34098 2.20742 -28.47758 1078.68123
2110.0000 -30.28972 -27.98365 2.30608 2.22756 -28.36061 1014.59011
2115.0000 -29.57799 -27.71529 1.86269 2.23649 -28.30869 1066.93131
2120.0000 -30.16676 -27.05110 3.11566 2.34411 -27.68354 1221.93676
2125.0000 -28.86829 -26.32013 2.54816 2.55693 -26.44735 1464.83563
2130.0000 -30.74541 -27.98621 2.75920 2.45146 -27.05999 1222.68769
2135.0000 -30.09593 -27.79351 2.30242 2.30832 -27.89148 1226.17633
2140.0000 -30.05880 -28.14544 1.91337 2.30320 -27.92120 1100.58899
2145.0000 -30.60241 -27.91845 2.68396 2.32979 -27.76677 1219.11515
2150.0000 -29.59599 -27.89929 1.69670 2.30478 -27.91205 1242.56598
2155.0000 -30.35456 -27.95933 2.39523 2.32192 -27.81245 1284.99020
2160.0000 -30.11198 -28.30418 1.80780 2.31562 -27.84907 1087.30946
2165.0000 -30.08713 -28.28099 1.80614 2.19470 -28.55146 1019.65043
2170.0000 -30.42381 -29.03080 1.39301 2.20735 -28.47796 1132.51044
2175.0000 -30.54155 -28.41420 2.12735 2.24747 -28.24493 1016.86349
2180.0000 -29.88932 -27.78148 2.10784 2.17845 -28.64586 940.28730
2185.0000 -30.49694 -29.04049 1.45644 2.24320 -28.26972 1047.04526
2190.0000 -29.58432 -26.28029 3.30403 2.38950 -27.41993 1268.33259
2195.0000 -29.54542 -26.71512 2.83030 2.63776 -25.97782 1489.89419
2200.0000 -29.25159 -26.43672 2.81487 2.54867 -26.49533 1397.98967
2205.0000 -29.27961 -27.57081 1.70880 2.46755 -26.96653 1357.79137
2210.0000 -29.46917 -27.52326 1.94591 2.36227 -27.57807 1100.29421
2215.0000 -28.86022 -26.31075 2.54947 2.54767 -26.50115 1421.60798
2220.0000 -29.50758 -26.90826 2.59932 2.48639 -26.85710 1395.68997
2225.0000 -29.87346 -28.44473 1.42873 2.33615 -27.72983 1201.03784
2230.0000 -31.16162 -29.03633 2.12530 2.17819 -28.64737 1024.41330
2235.0000 -30.21810 -28.24207 1.97603 2.21807 -28.41568 1074.07169
2240.0000 -30.02739 -28.52304 1.50435 2.26964 -28.11617 1034.75742
2245.0000 -31.08600 -28.45161 2.63439 2.19665 -28.54014 1087.72722
2250.0000 -30.45777 -29.00255 1.45523 2.21406 -28.43898 1083.18710
FREEZING PROCESS: loop number 10 T-loop= 1072.0000000000000
main_MD> interactions number 10 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.05872 -3.63149 3.03653
force_rgl> df(natom) 1.60673 -2.13747 0.91341
2255.0000 -30.01905 -28.36442 1.65462 2.18945 -28.58196 997.87452
2260.0000 -30.13724 -28.39273 1.74451 2.16916 -28.69980 998.15977
2265.0000 -30.25290 -27.51309 2.73981 2.31553 -27.84957 1137.13803
2270.0000 -30.38661 -27.92974 2.45687 2.32621 -27.78757 1120.88557
2275.0000 -29.90013 -27.20212 2.69801 2.37439 -27.50771 1181.01217
2280.0000 -29.64018 -27.14055 2.49963 2.47683 -26.91265 1412.25279
2285.0000 -29.98861 -27.13818 2.85044 2.38481 -27.44713 1325.06410
2290.0000 -29.59524 -27.68735 1.90789 2.31613 -27.84613 1111.63110
2295.0000 -29.87193 -28.37697 1.49497 2.24441 -28.26268 1036.61804
2300.0000 -30.53318 -28.63638 1.89681 2.12239 -28.97148 943.35516
2305.0000 -30.06835 -28.11048 1.95787 2.22454 -28.37813 1159.76695
2310.0000 -30.36487 -28.70656 1.65830 2.22370 -28.38300 1100.91772
2315.0000 -30.48236 -28.12666 2.35570 2.21673 -28.42348 1018.53139
2320.0000 -30.71478 -28.68824 2.02654 2.25181 -28.21970 1111.61654
2325.0000 -30.20171 -28.65128 1.55043 2.21222 -28.44967 990.33935
2330.0000 -29.76666 -27.82508 1.94158 2.33769 -27.72084 1140.13592
2335.0000 -30.29864 -28.63901 1.65963 2.26636 -28.13520 1098.48613
2340.0000 -28.95501 -27.22210 1.73292 2.26757 -28.12818 1036.73402
2345.0000 -29.99386 -27.93330 2.06057 2.36541 -27.55985 1212.56125
2350.0000 -30.13695 -28.06313 2.07382 2.29532 -27.96700 1122.88247
2355.0000 -30.07206 -27.97156 2.10050 2.26715 -28.13063 1109.00624
2360.0000 -30.59184 -28.19311 2.39874 2.22834 -28.35607 1004.60771
2365.0000 -30.22040 -28.52973 1.69067 2.21390 -28.43993 1036.96099
2370.0000 -30.59582 -28.60678 1.98903 2.16860 -28.70304 1065.22520
2375.0000 -31.67328 -30.06143 1.61185 2.06882 -29.28267 914.35183
2380.0000 -31.57094 -29.86288 1.70806 1.93912 -30.03607 751.77074
2385.0000 -29.07120 -27.57283 1.49837 2.20171 -28.51076 1081.29613
2390.0000 -28.37688 -26.30559 2.07129 2.44093 -27.12115 1206.94881
2395.0000 -29.38320 -26.57527 2.80792 2.53093 -26.59837 1435.75381
2400.0000 -30.59158 -27.68689 2.90469 2.47071 -26.94818 1357.46285
2405.0000 -30.26556 -27.97459 2.29097 2.35082 -27.64456 1177.90621
2410.0000 -30.40325 -29.07843 1.32482 2.16520 -28.72284 920.90718
2415.0000 -30.87227 -28.85407 2.01820 2.18826 -28.58889 1023.05775
2420.0000 -30.33203 -28.69536 1.63667 2.13627 -28.89084 952.33415
2425.0000 -30.73328 -29.01869 1.71459 2.17169 -28.68510 1048.27264
2430.0000 -30.68761 -28.74478 1.94282 2.19197 -28.56729 1048.31232
2435.0000 -30.57708 -28.34117 2.23591 2.20208 -28.50857 1035.18175
2440.0000 -30.29011 -28.26550 2.02460 2.24830 -28.24011 1052.98088
2445.0000 -30.63289 -28.97262 1.66027 2.25276 -28.21419 1041.57116
2450.0000 -30.23236 -28.62124 1.61111 2.11960 -28.98769 891.34195
2455.0000 -31.32646 -29.50660 1.81987 2.14471 -28.84182 1002.49464
2460.0000 -30.37815 -28.91812 1.46003 2.07046 -29.27313 928.90919
2465.0000 -29.96436 -28.38936 1.57500 2.10953 -29.04617 1042.83523
2470.0000 -30.39951 -28.85079 1.54872 2.16765 -28.70861 1019.78464
2475.0000 -29.97514 -27.93886 2.03628 2.27501 -28.08498 1103.00009
2480.0000 -28.97259 -26.95645 2.01614 2.48696 -26.85380 1361.66401
2485.0000 -30.47819 -28.26788 2.21031 2.41561 -27.26822 1326.91362
2490.0000 -30.87995 -28.77475 2.10520 2.23263 -28.33112 1079.63191
2495.0000 -31.07773 -29.35093 1.72679 2.10400 -29.07831 839.57854
2500.0000 -29.88147 -28.35477 1.52669 2.10067 -29.09763 849.43056
FREEZING PROCESS: loop number 11 T-loop= 1047.0000000000000
main_MD> interactions number 11 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13332 5.89127 -2.36085
force_rgl> df(natom) -4.13560 -6.08460 8.42259
2505.0000 -30.36560 -28.11823 2.24737 2.21271 -28.44686 963.03766
2510.0000 -30.35944 -28.43678 1.92266 2.20957 -28.46510 1054.91908
2515.0000 -30.18120 -28.54740 1.63380 2.23558 -28.31397 974.46652
2520.0000 -29.42828 -27.48913 1.93914 2.33979 -27.70866 1142.94081
2525.0000 -30.05976 -28.28930 1.77046 2.24354 -28.26774 1020.97480
2530.0000 -30.50778 -27.90473 2.60304 2.31223 -27.86873 1010.36298
2535.0000 -31.11321 -29.02367 2.08954 2.21325 -28.44373 1122.60884
2540.0000 -30.43130 -28.96484 1.46645 2.13115 -28.92061 1046.08792
2545.0000 -29.85722 -28.07826 1.77896 2.17992 -28.63730 973.31935
2550.0000 -30.22740 -28.88504 1.34236 2.26391 -28.14943 1047.18815
2555.0000 -29.76870 -27.66368 2.10502 2.22854 -28.35489 1023.05731
2560.0000 -29.48116 -27.49044 1.99072 2.41857 -27.25105 1318.49054
2565.0000 -29.72039 -27.47729 2.24309 2.33671 -27.72657 1130.04459
2570.0000 -29.95104 -28.17618 1.77486 2.30124 -27.93261 1051.97828
2575.0000 -30.82386 -28.11937 2.70449 2.22069 -28.40046 1014.54436
2580.0000 -30.46300 -28.98876 1.47424 2.21955 -28.40708 1022.31051
2585.0000 -31.29285 -29.73906 1.55380 2.06627 -29.29746 932.59447
2590.0000 -31.47943 -29.96786 1.51157 1.91235 -30.19157 736.02127
2595.0000 -31.06136 -28.90081 2.16056 2.07205 -29.26388 887.11976
2600.0000 -30.44392 -28.86049 1.58343 2.16622 -28.71691 1050.02096
2605.0000 -30.36919 -28.26606 2.10313 2.21794 -28.41649 1031.18777
2610.0000 -31.16569 -29.06045 2.10523 2.27111 -28.10762 1156.60132
2615.0000 -30.30011 -28.50276 1.79735 2.11193 -29.03228 1063.49990
2620.0000 -29.11040 -27.54294 1.56747 2.28075 -28.05164 1185.60771
2625.0000 -29.16830 -27.60164 1.56666 2.37683 -27.49352 1200.28111
2630.0000 -28.74999 -26.97447 1.77552 2.45909 -27.01565 1346.08686
2635.0000 -30.09652 -28.01053 2.08599 2.23168 -28.33663 1057.18967
2640.0000 -29.97806 -27.91598 2.06209 2.23092 -28.34104 996.51364
2645.0000 -29.47238 -26.92974 2.54264 2.41566 -27.26797 1301.24424
2650.0000 -30.12244 -27.84115 2.28128 2.32255 -27.80883 1217.12845
2655.0000 -30.22627 -28.74760 1.47867 2.22366 -28.38323 1056.45787
2660.0000 -30.37670 -29.28972 1.08698 2.09233 -29.14609 886.60122
2665.0000 -30.86702 -29.40547 1.46156 2.06921 -29.28038 673.36089
2670.0000 -30.19099 -28.30116 1.88983 2.11835 -28.99493 897.37890
2675.0000 -30.65089 -29.23826 1.41263 2.10299 -29.08419 900.51368
2680.0000 -30.90898 -29.45906 1.44992 2.06333 -29.31455 843.08541
2685.0000 -30.76512 -29.15586 1.60926 2.09176 -29.14941 888.48952
2690.0000 -30.45326 -28.91228 1.54098 2.05214 -29.37956 913.35109
2695.0000 -30.81836 -28.70758 2.11078 2.11631 -29.00683 933.22443
2700.0000 -29.85260 -28.33812 1.51448 2.15434 -28.78589 930.52798
2705.0000 -30.98949 -28.97310 2.01639 2.14750 -28.82563 989.39165
2710.0000 -29.97689 -28.06582 1.91107 2.20297 -28.50343 1093.51834
2715.0000 -30.07452 -27.03373 3.04079 2.36389 -27.56868 1261.71312
2720.0000 -29.90275 -27.73625 2.16650 2.33886 -27.71405 1209.12831
2725.0000 -29.41389 -27.63562 1.77827 2.37510 -27.50354 1140.36898
2730.0000 -29.76858 -28.17482 1.59376 2.30948 -27.88475 1058.70634
2735.0000 -29.90841 -27.97329 1.93512 2.36036 -27.58916 1121.27398
2740.0000 -29.53374 -27.64938 1.88436 2.19707 -28.53769 946.03007
2745.0000 -29.58814 -27.73725 1.85089 2.39667 -27.37827 1181.73553
2750.0000 -30.90095 -28.43522 2.46574 2.30083 -27.93497 1149.22838
FREEZING PROCESS: loop number 12 T-loop= 1022.0000000000000
main_MD> interactions number 12 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.37951 -2.08362 0.69237
force_rgl> df(natom) 4.61012 3.72896 -1.49203
2755.0000 -29.93717 -27.46567 2.47150 2.33243 -27.75141 1339.57756
2760.0000 -30.21480 -28.44628 1.76852 2.24143 -28.28001 1111.81129
2765.0000 -29.68024 -27.36092 2.31932 2.24716 -28.24671 999.86922
2770.0000 -29.99343 -28.46175 1.53168 2.29129 -27.99037 1154.68647
2775.0000 -30.49794 -28.83232 1.66563 2.15318 -28.79264 911.95246
2780.0000 -30.70078 -29.45091 1.24987 2.15585 -28.77712 969.65045
2785.0000 -29.47644 -27.78555 1.69089 2.26714 -28.13070 1126.85921
2790.0000 -30.13339 -28.76618 1.36722 2.25675 -28.19104 969.21280
2795.0000 -29.92999 -27.64887 2.28112 2.25475 -28.20264 1062.89819
2800.0000 -29.66579 -27.17540 2.49039 2.39646 -27.37947 1242.65605
2805.0000 -30.24355 -28.89622 1.34732 2.31085 -27.87676 1184.02596
2810.0000 -29.82401 -28.01863 1.80538 2.19489 -28.55037 982.43851
2815.0000 -31.08447 -28.96727 2.11720 2.22476 -28.37684 1063.05801
2820.0000 -30.75772 -29.51652 1.24119 2.09142 -29.15136 846.40332
2825.0000 -30.64870 -28.95091 1.69779 2.12688 -28.94539 965.34655
2830.0000 -29.80938 -28.16900 1.64038 2.27093 -28.10867 1071.28201
2835.0000 -29.65860 -27.90583 1.75277 2.30113 -27.93325 1109.82200
2840.0000 -30.75621 -28.75220 2.00401 2.26634 -28.13534 1149.76233
2845.0000 -30.44750 -28.85972 1.58779 2.17336 -28.67541 991.67600
2850.0000 -31.20966 -29.26646 1.94319 2.09664 -29.12105 967.13514
2855.0000 -30.98164 -28.97707 2.00457 2.11527 -29.01287 1033.15821
2860.0000 -30.98299 -28.95056 2.03243 2.11572 -29.01022 1061.55707
2865.0000 -29.81988 -27.73676 2.08313 2.21236 -28.44888 997.56237
2870.0000 -29.60950 -28.10996 1.49954 2.31117 -27.87493 1145.49415
2875.0000 -30.54912 -28.16972 2.37939 2.23137 -28.33843 1085.18040
2880.0000 -29.96476 -28.49819 1.46657 2.24239 -28.27442 1060.49719
2885.0000 -31.09362 -28.99909 2.09453 2.23974 -28.28985 1132.67151
2890.0000 -29.96558 -28.59870 1.36688 2.10486 -29.07330 922.40027
2895.0000 -31.22963 -29.31294 1.91669 2.14191 -28.85808 1032.01415
2900.0000 -30.66177 -28.62845 2.03332 2.13746 -28.88397 1075.68975
2905.0000 -31.29836 -29.50826 1.79010 2.14337 -28.84961 958.09708
2910.0000 -31.48287 -30.15946 1.32340 2.00540 -29.65103 855.56806
2915.0000 -31.19116 -29.20836 1.98280 1.98832 -29.75029 841.79037
2920.0000 -31.02597 -29.19536 1.83061 2.05227 -29.37881 842.26124
2925.0000 -29.86376 -28.20220 1.66156 2.16073 -28.74877 1014.02184
2930.0000 -30.09910 -28.09241 2.00669 2.27632 -28.07734 1037.12534
2935.0000 -29.72635 -27.40170 2.32464 2.34458 -27.68084 1102.59764
2940.0000 -30.47969 -27.53198 2.94771 2.33790 -27.71961 1224.27648
2945.0000 -30.67005 -28.83159 1.83846 2.19520 -28.54856 1020.19608
2950.0000 -31.07666 -29.10029 1.97637 2.15049 -28.80828 861.42010
2955.0000 -30.61008 -29.31461 1.29546 2.08116 -29.21102 854.57986
2960.0000 -30.44582 -29.45988 0.98594 2.00440 -29.65684 706.40736
2965.0000 -30.81392 -28.70800 2.10592 2.02307 -29.54842 871.86396
2970.0000 -30.61115 -28.82102 1.79013 2.15557 -28.77878 1013.12405
2975.0000 -30.49003 -29.24355 1.24648 2.04517 -29.42005 741.86552
2980.0000 -30.86402 -29.30802 1.55601 2.07255 -29.26100 808.97684
2985.0000 -30.15523 -27.84591 2.30932 2.18034 -28.63486 956.98340
2990.0000 -30.11706 -28.13724 1.97981 2.27416 -28.08989 1024.65063
2995.0000 -30.89798 -29.21475 1.68322 2.22380 -28.38240 1112.64381
3000.0000 -29.88554 -28.50646 1.37907 2.13649 -28.88961 992.66811
FREEZING PROCESS: loop number 13 T-loop= 997.00000000000000
main_MD> interactions number 13 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06115 -4.06866 4.40354
force_rgl> df(natom) -0.76622 2.46259 -0.26547
3005.0000 -30.43365 -27.93871 2.49494 2.27738 -28.07118 1134.58374
3010.0000 -31.21217 -29.07103 2.14114 2.19479 -28.55091 1046.00529
3015.0000 -30.11401 -28.20062 1.91339 2.18764 -28.59245 1079.37952
3020.0000 -30.11446 -28.32515 1.78931 2.24512 -28.25858 1056.90928
3025.0000 -30.49875 -28.12790 2.37086 2.21936 -28.40820 1100.62545
3030.0000 -30.29360 -28.79438 1.49922 2.30871 -27.88921 1118.35707
3035.0000 -29.83456 -28.37511 1.45944 2.19783 -28.53325 974.54832
3040.0000 -31.25807 -29.13531 2.12276 2.17322 -28.67626 891.27621
3045.0000 -31.30770 -29.67970 1.62800 2.07489 -29.24743 895.56316
3050.0000 -30.87944 -29.22597 1.65348 2.03218 -29.49548 884.26622
3055.0000 -31.03349 -29.93052 1.10298 2.02206 -29.55428 921.17116
3060.0000 -30.90903 -29.13853 1.77050 1.99722 -29.69859 773.24614
3065.0000 -31.25109 -28.86784 2.38324 2.14994 -28.81145 1017.03416
3070.0000 -31.19026 -29.72629 1.46397 2.11656 -29.00534 1052.75619
3075.0000 -30.35395 -29.04563 1.30833 2.07011 -29.27519 844.44289
3080.0000 -29.57494 -26.95789 2.61705 2.23684 -28.30667 1069.44751
3085.0000 -29.96814 -28.33954 1.62859 2.32764 -27.77922 1149.92130
3090.0000 -30.21393 -28.18565 2.02828 2.20604 -28.48558 992.42186
3095.0000 -29.82043 -28.39485 1.42558 2.19742 -28.53565 961.62994
3100.0000 -30.14898 -28.62544 1.52353 2.25571 -28.19707 1036.36118
3105.0000 -30.73390 -28.39331 2.34059 2.21420 -28.43817 1126.50918
3110.0000 -30.21158 -28.93213 1.27945 2.20896 -28.46861 1064.05613
3115.0000 -30.10812 -28.25878 1.84934 2.19749 -28.53524 1039.51382
3120.0000 -30.86425 -28.89778 1.96648 2.17720 -28.65309 950.36011
3125.0000 -30.19950 -28.70679 1.49270 2.15710 -28.76989 1007.32385
3130.0000 -31.00546 -29.39763 1.60784 2.18944 -28.58201 961.03314
3135.0000 -30.39103 -28.63227 1.75876 2.14977 -28.81243 910.99834
3140.0000 -29.83518 -27.51434 2.32084 2.23670 -28.30750 1049.87768
3145.0000 -30.45537 -28.73556 1.71982 2.29192 -27.98675 1171.01828
3150.0000 -29.20802 -27.34396 1.86406 2.30128 -27.93237 1162.82099
3155.0000 -30.33151 -28.53976 1.79175 2.25049 -28.22738 1050.19253
3160.0000 -31.20286 -28.80151 2.40135 2.24151 -28.27957 1001.62742
3165.0000 -29.97449 -28.08437 1.89012 2.20918 -28.46736 1011.34335
3170.0000 -30.11951 -28.64702 1.47249 2.19203 -28.56697 993.03299
3175.0000 -31.39175 -29.37168 2.02007 2.13773 -28.88239 1013.19342
3180.0000 -30.21291 -28.40486 1.80805 2.20355 -28.50005 1037.89241
3185.0000 -30.75665 -28.70081 2.05584 2.25720 -28.18840 1123.02271
3190.0000 -30.64685 -29.38567 1.26118 2.07768 -29.23118 884.21896
3195.0000 -30.78899 -29.26241 1.52658 2.02412 -29.54232 820.16763
3200.0000 -30.81849 -29.20926 1.60923 2.06442 -29.30821 921.14275
3205.0000 -30.55333 -29.19085 1.36247 2.10519 -29.07138 969.97399
3210.0000 -30.20180 -28.85611 1.34570 2.08531 -29.18690 774.65932
3215.0000 -30.79691 -29.27093 1.52597 2.08986 -29.16047 889.45264
3220.0000 -29.68341 -27.99053 1.69288 2.17677 -28.65562 974.51907
3225.0000 -31.00444 -29.00673 1.99771 2.17897 -28.64282 967.02293
3230.0000 -30.84683 -28.16945 2.67739 2.14519 -28.83904 1008.10768
3235.0000 -30.36073 -29.13403 1.22671 2.24143 -28.28002 1156.03126
3240.0000 -30.45286 -28.84624 1.60662 2.08886 -29.16629 893.95000
3245.0000 -30.82028 -29.26317 1.55711 2.08703 -29.17688 919.18225
3250.0000 -31.15349 -29.24154 1.91196 2.04170 -29.44020 869.71005
FREEZING PROCESS: loop number 14 T-loop= 972.00000000000000
main_MD> interactions number 14 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57770 -2.50616 2.02376
force_rgl> df(natom) 1.11201 1.26651 2.42181
3255.0000 -30.12171 -28.48644 1.63526 2.17936 -28.64057 1067.42139
3260.0000 -30.68689 -29.01035 1.67654 2.15168 -28.80134 901.79681
3265.0000 -29.75936 -27.75170 2.00766 2.19896 -28.52671 1089.84954
3270.0000 -30.33253 -28.35940 1.97313 2.29578 -27.96428 1163.74530
3275.0000 -30.20435 -28.61306 1.59129 2.17519 -28.66481 1116.68580
3280.0000 -29.95467 -27.74500 2.20967 2.27519 -28.08393 1088.68081
3285.0000 -30.81283 -28.87272 1.94012 2.26437 -28.14678 1062.47683
3290.0000 -30.82904 -29.17987 1.64917 2.10004 -29.10135 979.72416
3295.0000 -30.86491 -29.53446 1.33045 2.02066 -29.56244 794.78886
3300.0000 -31.12349 -29.24419 1.87930 2.00900 -29.63013 860.13787
3305.0000 -30.91298 -28.66314 2.24984 2.03046 -29.50549 928.78869
3310.0000 -31.09774 -29.56928 1.52846 2.06290 -29.31705 899.28793
3315.0000 -30.45948 -28.76188 1.69760 2.09359 -29.13876 903.06536
3320.0000 -30.71595 -28.96789 1.74806 2.17236 -28.68121 971.05250
3325.0000 -31.14993 -29.27151 1.87842 2.15708 -28.76997 1042.04815
3330.0000 -30.93146 -28.94893 1.98252 2.12937 -28.93095 1021.87507
3335.0000 -30.61342 -28.85311 1.76031 2.14080 -28.86458 1060.03347
3340.0000 -30.74627 -29.15889 1.58738 2.12633 -28.94863 990.77139
3345.0000 -30.54149 -28.71430 1.82718 2.16245 -28.73877 1127.80805
3350.0000 -30.23102 -28.47907 1.75195 2.21000 -28.46257 1065.48300
3355.0000 -30.85454 -28.88649 1.96805 2.07952 -29.22053 956.76752
3360.0000 -31.09486 -29.27074 1.82412 2.04773 -29.40519 883.20368
3365.0000 -30.12332 -28.39118 1.73215 2.09871 -29.10904 884.08430
3370.0000 -30.87345 -29.26319 1.61026 2.07757 -29.23182 939.79207
3375.0000 -31.42006 -29.45570 1.96436 2.01516 -29.59439 868.71789
3380.0000 -31.07593 -29.29721 1.77873 2.03344 -29.48819 888.33007
3385.0000 -30.81153 -28.68506 2.12647 2.19051 -28.57578 1094.27552
3390.0000 -30.89908 -28.95959 1.93949 2.16820 -28.70541 1104.22250
3395.0000 -31.22089 -29.79631 1.42459 2.06185 -29.32313 961.71779
3400.0000 -31.59547 -30.25048 1.34499 1.93438 -30.06360 799.52165
3405.0000 -30.25851 -29.34690 0.91160 1.99926 -29.68675 875.57136
3410.0000 -30.71642 -28.86343 1.85298 2.10027 -29.09997 916.05690
3415.0000 -30.80127 -29.01292 1.78835 2.06734 -29.29124 1018.19562
3420.0000 -30.96528 -29.17711 1.78817 2.06687 -29.29397 832.19180
3425.0000 -31.18474 -29.44899 1.73575 2.03994 -29.45044 912.00347
3430.0000 -30.68616 -29.32714 1.35902 2.14552 -28.83713 927.40098
3435.0000 -29.88303 -27.77694 2.10610 2.14966 -28.81308 936.23953
3440.0000 -30.43768 -28.62350 1.81418 2.27856 -28.06436 1053.59543
3445.0000 -30.64395 -28.81817 1.82577 2.11748 -29.00001 942.78279
3450.0000 -30.66825 -28.69566 1.97260 2.17682 -28.65532 1071.92461
3455.0000 -30.24730 -28.42821 1.81909 2.14699 -28.82861 974.82030
3460.0000 -30.58949 -28.89533 1.69416 2.15690 -28.77105 989.11807
3465.0000 -31.29545 -29.29798 1.99747 2.12212 -28.97308 985.30312
3470.0000 -31.35296 -29.65293 1.70003 2.07026 -29.27428 1014.88852
3475.0000 -31.19599 -29.87907 1.31693 1.97559 -29.82424 821.93746
3480.0000 -30.34153 -29.12004 1.22149 2.02282 -29.54989 903.12339
3485.0000 -31.55708 -30.11505 1.44203 2.01773 -29.57941 885.24320
3490.0000 -31.96227 -29.54426 2.41801 1.96022 -29.91348 808.87257
3495.0000 -30.18939 -28.79157 1.39782 2.11743 -29.00029 916.26137
3500.0000 -30.41543 -28.80292 1.61251 2.19755 -28.53490 956.51311
FREEZING PROCESS: loop number 15 T-loop= 947.00000000000000
main_MD> interactions number 15 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.23816 0.57002 1.37216
force_rgl> df(natom) -0.57195 5.15173 3.96418
3505.0000 -30.72237 -28.56533 2.15704 2.21934 -28.40833 1069.27452
3510.0000 -30.00672 -28.38038 1.62634 2.15413 -28.78712 1032.16758
3515.0000 -30.80525 -28.89385 1.91141 2.23524 -28.31599 1039.50412
3520.0000 -31.18248 -29.49809 1.68439 2.06478 -29.30615 847.51339
3525.0000 -31.13266 -29.50598 1.62668 2.04272 -29.43428 955.40524
3530.0000 -31.03822 -29.36368 1.67454 2.05573 -29.35870 883.23701
3535.0000 -30.69410 -28.74362 1.95048 2.16524 -28.72259 994.57011
3540.0000 -31.00264 -29.11543 1.88721 2.15463 -28.78422 1020.81502
3545.0000 -31.41167 -29.82812 1.58355 1.99588 -29.70637 831.58945
3550.0000 -30.85390 -28.95577 1.89813 2.09525 -29.12915 1050.67207
3555.0000 -30.90670 -29.41521 1.49149 2.09111 -29.15320 948.18665
3560.0000 -31.43004 -30.27348 1.15656 2.01614 -29.58870 856.79421
3565.0000 -31.13474 -29.88460 1.25015 1.93132 -30.08138 705.08585
3570.0000 -30.40633 -28.71973 1.68659 2.12238 -28.97153 953.32207
3575.0000 -30.31263 -28.65148 1.66115 2.19746 -28.53544 1072.42251
3580.0000 -30.29295 -27.96106 2.33189 2.22442 -28.37881 1024.37432
3585.0000 -30.95383 -28.70589 2.24794 2.28031 -28.05416 1055.38350
3590.0000 -31.29609 -30.08629 1.20980 2.03474 -29.48064 881.58788
3595.0000 -31.09850 -29.51558 1.58292 1.96131 -29.90719 769.09271
3600.0000 -31.99112 -30.50412 1.48701 1.97896 -29.80466 807.48634
3605.0000 -30.91030 -29.79423 1.11607 1.98785 -29.75299 844.78831
3610.0000 -30.71708 -28.76249 1.95459 2.08589 -29.18349 798.76159
3615.0000 -30.60458 -28.71736 1.88722 2.14206 -28.85725 896.46806
3620.0000 -29.51056 -27.98680 1.52375 2.25512 -28.20048 1072.54385
3625.0000 -30.28404 -28.51354 1.77050 2.26691 -28.13202 1167.56277
3630.0000 -31.19583 -29.41953 1.77630 2.12998 -28.92740 1000.76592
3635.0000 -30.33172 -29.00523 1.32649 2.18296 -28.61967 1007.27660
3640.0000 -30.73250 -29.04842 1.68408 2.16730 -28.71062 891.14619
3645.0000 -30.80826 -29.42832 1.37993 2.05685 -29.35220 929.47317
3650.0000 -30.64115 -29.13262 1.50854 2.03782 -29.46272 849.22852
3655.0000 -31.39148 -29.78036 1.61112 1.96476 -29.88714 826.55445
3660.0000 -31.30175 -30.29148 1.01027 1.93190 -30.07800 760.43824
3665.0000 -32.07952 -30.89908 1.18044 1.87330 -30.41839 679.25249
3670.0000 -31.81805 -30.65463 1.16342 1.83400 -30.64666 644.38114
3675.0000 -31.68177 -29.90861 1.77316 1.91797 -30.15892 785.59103
3680.0000 -30.38558 -28.84299 1.54259 2.08658 -29.17952 979.88614
3685.0000 -30.53593 -28.89888 1.63704 2.14326 -28.85024 920.00744
3690.0000 -30.75689 -29.73521 1.02168 2.09587 -29.12556 872.05444
3695.0000 -31.07911 -29.03593 2.04318 2.09025 -29.15821 855.22573
3700.0000 -30.77600 -28.44267 2.33333 2.12875 -28.93456 1019.34514
3705.0000 -31.06778 -29.25337 1.81441 2.13846 -28.87812 934.33509
3710.0000 -31.73978 -30.13100 1.60877 2.03190 -29.49713 944.52577
3715.0000 -30.58728 -28.97054 1.61674 2.11285 -29.02691 866.78880
3720.0000 -31.00260 -29.91158 1.09102 2.00868 -29.63201 686.07616
3725.0000 -31.13664 -29.77927 1.35736 1.95914 -29.91980 763.16613
3730.0000 -30.94439 -29.65820 1.28619 1.94647 -29.99335 802.50267
3735.0000 -31.51915 -30.43814 1.08101 1.88174 -30.36935 688.99850
3740.0000 -31.35049 -29.45075 1.89974 1.89579 -30.28778 717.52518
3745.0000 -30.48643 -28.86794 1.61849 2.12941 -28.93069 950.36413
3750.0000 -30.03908 -28.10388 1.93520 2.16357 -28.73229 939.36474
FREEZING PROCESS: loop number 16 T-loop= 922.00000000000000
main_MD> interactions number 16 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.18428 0.76120 0.22823
force_rgl> df(natom) -2.83974 4.24709 1.53752
3755.0000 -30.63927 -28.36476 2.27452 2.20290 -28.50384 1054.14793
3760.0000 -30.47717 -28.93498 1.54219 2.14394 -28.84632 951.99165
3765.0000 -30.78397 -28.82835 1.95561 2.18253 -28.62214 971.75141
3770.0000 -30.46531 -29.20991 1.25539 2.04399 -29.42688 841.99990
3775.0000 -30.37752 -29.55369 0.82383 2.07662 -29.23737 919.17189
3780.0000 -30.37005 -28.45355 1.91650 2.11585 -29.00951 989.60796
3785.0000 -30.56541 -28.99668 1.56872 2.20817 -28.47321 1054.66119
3790.0000 -30.62937 -29.00640 1.62297 2.16445 -28.72717 924.29395
3795.0000 -30.74692 -29.64525 1.10166 2.05397 -29.36895 861.15263
3800.0000 -31.04760 -29.20203 1.84557 2.06836 -29.28534 943.11810
3805.0000 -31.18276 -29.15599 2.02677 2.06042 -29.33148 943.23684
3810.0000 -31.18960 -28.88340 2.30620 2.07823 -29.22801 966.25361
3815.0000 -30.25282 -28.95873 1.29409 2.13161 -28.91792 989.69593
3820.0000 -30.49864 -28.20322 2.29543 2.17137 -28.68698 1016.20750
3825.0000 -31.34723 -29.38638 1.96084 2.13857 -28.87748 1031.90918
3830.0000 -30.70812 -28.57175 2.13637 2.06294 -29.31685 940.80026
3835.0000 -31.64495 -30.15676 1.48819 2.03556 -29.47589 907.56375
3840.0000 -31.22585 -29.30289 1.92296 1.97635 -29.81983 870.27897
3845.0000 -31.02152 -29.36840 1.65312 2.05251 -29.37743 940.22625
3850.0000 -30.69012 -29.27275 1.41737 2.06283 -29.31744 900.39935
3855.0000 -30.83737 -28.63203 2.20534 2.16486 -28.72482 1008.92750
3860.0000 -30.45103 -28.23863 2.21240 2.21880 -28.41146 1073.02379
3865.0000 -31.24651 -29.92926 1.31725 2.04073 -29.44586 845.96155
3870.0000 -31.61368 -29.86609 1.74759 1.90997 -30.20539 798.97931
3875.0000 -31.37968 -29.79890 1.58079 1.98197 -29.78718 848.79952
3880.0000 -29.99752 -28.04649 1.95104 2.19393 -28.55594 1149.53944
3885.0000 -29.99360 -28.01809 1.97551 2.22523 -28.37413 1079.89764
3890.0000 -30.03682 -28.66464 1.37218 2.22842 -28.35559 1071.39250
3895.0000 -30.71665 -28.54634 2.17031 2.13851 -28.87784 1056.98502
3900.0000 -30.53257 -28.96934 1.56323 2.09920 -29.10618 938.53090
3905.0000 -30.83243 -29.11540 1.71703 2.10066 -29.09771 893.58907
3910.0000 -30.37045 -28.35629 2.01417 2.19427 -28.55395 1008.37626
3915.0000 -30.36947 -28.62016 1.74931 2.19783 -28.53329 1018.74041
3920.0000 -31.19343 -29.90089 1.29255 2.06985 -29.27668 892.25473
3925.0000 -30.85607 -29.29325 1.56282 2.04697 -29.40958 870.36920
3930.0000 -30.21735 -28.43812 1.77924 2.08981 -29.16071 871.86507
3935.0000 -30.59225 -28.51481 2.07743 2.25426 -28.20546 974.12108
3940.0000 -30.16741 -28.49475 1.67266 2.18338 -28.61721 992.65928
3945.0000 -30.91503 -29.08770 1.82733 2.11563 -29.01073 861.60373
3950.0000 -30.74304 -29.17461 1.56843 2.13719 -28.88554 921.18721
3955.0000 -30.02704 -28.66769 1.35935 2.10790 -29.05565 942.47641
3960.0000 -30.78870 -29.26407 1.52464 2.12786 -28.93971 1061.08730
3965.0000 -30.73010 -29.01844 1.71166 2.07664 -29.23724 935.72186
3970.0000 -30.58530 -28.95201 1.63330 2.13851 -28.87783 893.51735
3975.0000 -31.20480 -28.41059 2.79421 2.14235 -28.85557 1000.06171
3980.0000 -30.17886 -28.89481 1.28405 2.14623 -28.83300 1020.88402
3985.0000 -30.53983 -28.39984 2.13999 2.09497 -29.13078 864.88393
3990.0000 -30.21793 -28.86613 1.35180 2.14474 -28.84164 861.24864
3995.0000 -31.65354 -30.26131 1.39223 2.01153 -29.61546 851.80578
4000.0000 -31.77734 -30.57170 1.20564 1.89896 -30.26936 746.64389
FREEZING PROCESS: loop number 17 T-loop= 897.00000000000000
main_MD> interactions number 17 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39789 0.22516 0.36319
force_rgl> df(natom) -0.47654 2.71391 -0.67657
4005.0000 -31.53271 -29.55430 1.97842 1.98911 -29.74569 839.09417
4010.0000 -30.67666 -29.23526 1.44140 2.02133 -29.55851 885.72610
4015.0000 -31.06738 -29.57132 1.49606 2.05738 -29.34914 787.16394
4020.0000 -31.76098 -30.03559 1.72538 1.99822 -29.69275 742.30564
4025.0000 -31.55342 -29.64163 1.91179 1.97092 -29.85136 842.97671
4030.0000 -31.04779 -29.23295 1.81484 2.05182 -29.38142 883.06571
4035.0000 -30.66215 -28.85187 1.81028 2.11524 -29.01302 1012.35989
4040.0000 -30.72508 -29.34736 1.37772 2.13468 -28.90008 975.17033
4045.0000 -30.89252 -29.36055 1.53197 2.04731 -29.40761 822.95558
4050.0000 -31.66185 -30.22517 1.43668 1.97775 -29.81168 833.00196
4055.0000 -30.92760 -29.10122 1.82638 2.00827 -29.63439 893.26723
4060.0000 -30.81770 -29.08500 1.73270 2.13173 -28.91727 950.35007
4065.0000 -30.69931 -29.39940 1.29991 2.03847 -29.45895 884.94811
4070.0000 -30.90569 -29.57399 1.33171 2.04029 -29.44841 887.93012
4075.0000 -30.50424 -29.57983 0.92442 2.14468 -28.84204 911.52828
4080.0000 -31.32459 -29.44300 1.88159 2.05211 -29.37974 920.09794
4085.0000 -30.89855 -28.51343 2.38513 2.08313 -29.19953 1074.78382
4090.0000 -30.76325 -29.25272 1.51052 2.07446 -29.24990 935.49685
4095.0000 -31.44458 -29.73905 1.70553 1.95280 -29.95658 772.24639
4100.0000 -31.18137 -29.67262 1.50875 1.98481 -29.77068 862.21309
4105.0000 -30.54637 -28.98873 1.55764 2.07605 -29.24066 873.25148
4110.0000 -31.08283 -29.60339 1.47944 2.01563 -29.59161 730.30938
4115.0000 -30.17307 -28.73766 1.43541 2.11544 -29.01189 919.19306
4120.0000 -30.37974 -28.64797 1.73177 2.18084 -28.63196 973.73996
4125.0000 -29.81940 -28.57833 1.24107 2.22003 -28.40430 995.93115
4130.0000 -30.83592 -28.87644 1.95948 2.23926 -28.29263 999.67612
4135.0000 -30.21298 -28.39595 1.81702 2.13795 -28.88112 907.07605
4140.0000 -30.12869 -27.87520 2.25349 2.29049 -27.99506 1071.95615
4145.0000 -31.14324 -29.65297 1.49027 2.23057 -28.34308 1055.43551
4150.0000 -31.18605 -29.56283 1.62322 1.99623 -29.70435 814.09901
4155.0000 -30.92685 -29.46685 1.46000 1.97845 -29.80758 817.33501
4160.0000 -31.43864 -29.56106 1.87758 2.02783 -29.52078 923.58626
4165.0000 -31.12965 -29.17044 1.95920 2.05141 -29.38379 905.15669
4170.0000 -30.97980 -29.54615 1.43365 2.01138 -29.61635 860.35230
4175.0000 -30.52557 -29.37721 1.14836 2.09306 -29.14189 848.40887
4180.0000 -29.97305 -28.24981 1.72324 2.17396 -28.67195 883.50422
4185.0000 -30.65023 -29.25000 1.40023 2.18231 -28.62344 910.08020
4190.0000 -30.92421 -28.96215 1.96206 2.07843 -29.22685 936.14266
4195.0000 -30.94192 -29.42247 1.51945 2.05639 -29.35486 865.43054
4200.0000 -31.71755 -30.16521 1.55235 1.93834 -30.04059 767.90128
4205.0000 -31.38059 -29.53573 1.84486 1.99345 -29.72049 877.45541
4210.0000 -30.71173 -28.94150 1.77022 2.09952 -29.10436 1026.80455
4215.0000 -29.69369 -27.65078 2.04291 2.25967 -28.17408 1137.63965
4220.0000 -30.42737 -28.24181 2.18556 2.30918 -27.88649 1193.94554
4225.0000 -31.51964 -30.03117 1.48846 2.13539 -28.89600 1045.14089
4230.0000 -31.63772 -30.72164 0.91609 1.83285 -30.65335 618.55750
4235.0000 -30.98036 -29.77120 1.20916 1.89434 -30.29619 694.48054
4240.0000 -30.72018 -29.43848 1.28170 2.06278 -29.31775 936.94413
4245.0000 -30.14249 -28.98146 1.16103 2.07140 -29.26767 808.70674
4250.0000 -30.74161 -29.36770 1.37390 2.05506 -29.36262 893.14139
FREEZING PROCESS: loop number 18 T-loop= 872.00000000000000
main_MD> interactions number 18 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10893 -3.82876 0.09260
force_rgl> df(natom) 0.73137 1.06118 1.49090
4255.0000 -31.43761 -29.83373 1.60388 2.01436 -29.59900 854.39072
4260.0000 -31.55660 -29.48292 2.07369 1.99020 -29.73935 924.06985
4265.0000 -32.18897 -30.85603 1.33294 1.91978 -30.14842 767.49646
4270.0000 -31.63304 -30.22846 1.40458 1.81791 -30.74018 592.70690
4275.0000 -31.73150 -29.96206 1.76945 1.92375 -30.12533 742.12769
4280.0000 -30.81491 -29.05856 1.75635 2.00044 -29.67990 852.46975
4285.0000 -31.38949 -29.35462 2.03488 2.10115 -29.09487 952.14630
4290.0000 -30.06268 -28.38667 1.67601 2.12760 -28.94123 1005.10519
4295.0000 -30.82421 -28.78153 2.04267 2.18780 -28.59155 1066.49564
4300.0000 -31.10787 -28.77166 2.33620 2.03312 -29.49006 883.93610
4305.0000 -31.40441 -30.09954 1.30488 2.04843 -29.40111 924.86074
4310.0000 -30.58887 -29.15011 1.43875 1.98699 -29.75802 849.14143
4315.0000 -31.53294 -29.96102 1.57192 2.00274 -29.66650 834.23235
4320.0000 -31.17709 -29.42211 1.75499 1.98715 -29.75710 791.26698
4325.0000 -29.46000 -27.69518 1.76482 2.14801 -28.82268 942.58255
4330.0000 -29.80055 -28.24988 1.55067 2.25650 -28.19247 1001.19350
4335.0000 -29.90655 -27.81534 2.09121 2.27141 -28.10584 1023.44024
4340.0000 -31.33440 -29.97343 1.36097 2.10598 -29.06682 900.65082
4345.0000 -30.97012 -29.59010 1.38002 1.98399 -29.77544 787.41661
4350.0000 -31.08625 -29.66322 1.42302 1.99495 -29.71174 757.23297
4355.0000 -31.37719 -30.01536 1.36183 1.92370 -30.12566 738.31225
4360.0000 -30.91668 -29.57253 1.34415 1.95141 -29.96468 781.37679
4365.0000 -31.03807 -28.91893 2.11914 2.10882 -29.05033 1017.40206
4370.0000 -30.41416 -28.89989 1.51427 2.14026 -28.86771 971.79949
4375.0000 -29.96181 -28.52608 1.43573 2.14945 -28.81431 905.00466
4380.0000 -30.26022 -28.26785 1.99237 2.22262 -28.38929 1075.72831
4385.0000 -30.80567 -29.39411 1.41156 2.12707 -28.94429 977.00231
4390.0000 -30.51474 -29.07650 1.43824 2.11780 -28.99817 975.65819
4395.0000 -31.10404 -29.17688 1.92716 2.05982 -29.33494 945.07699
4400.0000 -29.81646 -28.32260 1.49386 2.09275 -29.14369 945.18445
4405.0000 -30.68670 -29.14861 1.53809 2.12295 -28.96823 885.90096
4410.0000 -30.48065 -29.31147 1.16919 2.01902 -29.57197 761.01655
4415.0000 -30.90325 -28.63852 2.26473 2.09902 -29.10725 884.65184
4420.0000 -30.00458 -28.33477 1.66980 2.20361 -28.49969 1041.80964
4425.0000 -30.92743 -29.71927 1.20817 2.17742 -28.65182 1032.84652
4430.0000 -31.46184 -29.83545 1.62639 1.96828 -29.86669 802.14307
4435.0000 -30.88872 -29.76859 1.12012 1.94595 -29.99637 790.89512
4440.0000 -30.74212 -28.92557 1.81654 2.07368 -29.25444 932.68227
4445.0000 -31.62225 -29.51499 2.10726 2.05833 -29.34361 867.46993
4450.0000 -31.95162 -30.29963 1.65199 1.94132 -30.02326 817.58557
4455.0000 -31.67568 -30.04760 1.62808 1.95257 -29.95794 801.04070
4460.0000 -31.64732 -30.55156 1.09576 1.86109 -30.48931 670.37187
4465.0000 -31.10943 -29.66734 1.44208 1.91311 -30.18713 739.85262
4470.0000 -31.73086 -29.56253 2.16834 2.00858 -29.63260 813.05888
4475.0000 -30.79732 -29.56426 1.23306 2.03187 -29.49727 862.23550
4480.0000 -31.57167 -30.00987 1.56180 1.99923 -29.68692 797.76640
4485.0000 -31.51469 -30.24836 1.26633 1.95308 -29.95499 772.44912
4490.0000 -31.51504 -29.99554 1.51949 1.86276 -30.47962 653.01792
4495.0000 -30.52545 -29.40033 1.12511 2.05669 -29.35314 815.97767
4500.0000 -30.55633 -29.28969 1.26665 2.04881 -29.39892 783.92797
FREEZING PROCESS: loop number 19 T-loop= 847.00000000000000
main_MD> interactions number 19 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.80049 7.62852 -5.18597
force_rgl> df(natom) -1.06054 0.63679 1.71245
4505.0000 -31.45687 -29.67451 1.78236 2.04854 -29.40046 973.48151
4510.0000 -30.83312 -29.35077 1.48235 2.01315 -29.60607 778.48934
4515.0000 -31.29681 -29.52131 1.77550 1.96949 -29.85966 886.32636
4520.0000 -31.36410 -30.17275 1.19135 1.96534 -29.88374 827.69721
4525.0000 -31.55813 -29.62433 1.93380 2.01533 -29.59337 808.88860
4530.0000 -30.75329 -29.59800 1.15529 2.01021 -29.62315 692.51014
4535.0000 -30.90368 -29.38700 1.51668 2.01816 -29.57693 653.77268
4540.0000 -30.81550 -29.65523 1.16027 2.02141 -29.55804 755.02098
4545.0000 -31.01556 -29.31404 1.70153 2.00222 -29.66954 811.16098
4550.0000 -30.96460 -29.44257 1.52202 2.05771 -29.34721 926.80874
4555.0000 -31.31997 -30.14573 1.17424 1.94452 -30.00471 800.09580
4560.0000 -31.46893 -30.18272 1.28621 1.93232 -30.07559 757.73200
4565.0000 -31.72053 -30.14761 1.57292 1.93683 -30.04937 772.47535
4570.0000 -31.37498 -29.41368 1.96129 2.01063 -29.62069 865.70669
4575.0000 -30.42629 -29.24775 1.17854 2.11747 -29.00006 917.45516
4580.0000 -30.75952 -29.40986 1.34966 2.07745 -29.23256 864.25862
4585.0000 -31.10695 -29.52648 1.58048 2.03705 -29.46721 699.89752
4590.0000 -30.70694 -28.72079 1.98616 2.12892 -28.93356 984.17681
4595.0000 -30.73304 -29.32969 1.40335 2.10098 -29.09584 846.16001
4600.0000 -31.26836 -29.73081 1.53754 2.04339 -29.43039 838.76605
4605.0000 -31.25500 -29.89542 1.35957 2.00252 -29.66779 784.51107
4610.0000 -30.96301 -29.22378 1.73923 1.97859 -29.80681 854.52847
4615.0000 -31.34990 -29.43663 1.91327 2.04983 -29.39299 939.09829
4620.0000 -30.10333 -29.02153 1.08180 2.07055 -29.27264 828.87554
4625.0000 -31.34572 -29.68515 1.66058 2.04553 -29.41793 844.17110
4630.0000 -30.99951 -29.81862 1.18089 2.00574 -29.64907 808.60601
4635.0000 -30.86336 -29.18638 1.67698 2.04679 -29.41066 877.12854
4640.0000 -30.80974 -28.90426 1.90548 2.09732 -29.11714 967.44550
4645.0000 -31.12219 -29.10942 2.01277 2.13950 -28.87211 947.29247
4650.0000 -30.98892 -29.50909 1.47983 2.08394 -29.19482 952.91550
4655.0000 -31.50362 -29.93982 1.56380 2.03683 -29.46847 872.59633
4660.0000 -31.00520 -29.59854 1.40667 1.99484 -29.71238 810.78646
4665.0000 -31.05274 -29.11015 1.94260 2.00583 -29.64855 869.17612
4670.0000 -30.86953 -29.73348 1.13604 2.01181 -29.61380 812.44462
4675.0000 -31.88637 -30.42873 1.45764 1.95160 -29.96359 743.09128
4680.0000 -31.83085 -30.69390 1.13695 1.87210 -30.42537 732.60384
4685.0000 -30.81097 -29.31180 1.49917 2.02615 -29.53051 854.33069
4690.0000 -31.08508 -29.38914 1.69594 2.06181 -29.32338 944.25533
4695.0000 -31.09022 -29.00242 2.08780 2.07606 -29.24058 989.81761
4700.0000 -31.16522 -29.30990 1.85532 2.05330 -29.37280 858.32169
4705.0000 -30.62395 -29.07050 1.55345 2.11872 -28.99282 982.22354
4710.0000 -31.29285 -29.84319 1.44967 2.02344 -29.54624 890.46600
4715.0000 -30.85844 -29.32407 1.53437 2.03514 -29.47830 819.67760
4720.0000 -30.03368 -29.03531 0.99837 2.08951 -29.16248 813.00661
4725.0000 -30.77293 -28.56765 2.20528 2.16750 -28.70946 910.55721
4730.0000 -31.58896 -29.76103 1.82793 2.05458 -29.36540 869.11593
4735.0000 -30.81803 -29.11359 1.70444 2.00584 -29.64851 923.35822
4740.0000 -31.25174 -29.30401 1.94773 2.08460 -29.19099 915.99679
4745.0000 -31.33712 -29.90441 1.43271 2.03338 -29.48850 910.54774
4750.0000 -31.47049 -29.79802 1.67247 1.97320 -29.83808 795.39082
FREEZING PROCESS: loop number 20 T-loop= 822.00000000000000
main_MD> interactions number 20 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89274 -1.39658 1.22680
force_rgl> df(natom) -1.09860 0.89421 2.14670
4755.0000 -31.61839 -29.54388 2.07451 2.00370 -29.66096 782.95870
4760.0000 -30.81900 -29.66739 1.15161 2.01656 -29.58624 877.99573
4765.0000 -31.18524 -29.51837 1.66687 1.95931 -29.91879 796.29380
4770.0000 -29.96666 -28.92737 1.03929 2.05375 -29.37023 719.82683
4775.0000 -30.64884 -29.52029 1.12855 2.10259 -29.08650 832.58215
4780.0000 -30.59113 -28.76385 1.82728 2.13104 -28.92125 982.26641
4785.0000 -30.06451 -28.41728 1.64723 2.16771 -28.70825 889.48052
4790.0000 -30.97881 -29.73697 1.24184 2.09366 -29.13837 812.53114
4795.0000 -30.92152 -30.01030 0.91122 1.93443 -30.06331 726.48185
4800.0000 -30.98154 -28.88183 2.09971 2.07847 -29.22662 953.73624
4805.0000 -31.66227 -30.33885 1.32342 1.93380 -30.06698 750.34927
4810.0000 -31.30870 -29.56012 1.74857 1.95581 -29.93912 812.70461
4815.0000 -30.91246 -29.02833 1.88413 2.10870 -29.05104 962.64573
4820.0000 -31.07814 -29.45551 1.62262 2.01230 -29.61095 859.44137
4825.0000 -30.30839 -29.25994 1.04845 2.11538 -29.01221 973.54763
4830.0000 -30.35869 -29.08009 1.27860 2.11224 -29.03045 859.77549
4835.0000 -30.85639 -29.67282 1.18357 2.07657 -29.23766 817.26762
4840.0000 -31.38604 -30.09578 1.29025 1.99619 -29.70458 795.87900
4845.0000 -31.04652 -29.57849 1.46804 1.95673 -29.93379 783.34302
4850.0000 -31.23967 -29.67484 1.56483 2.01900 -29.57206 904.26256
4855.0000 -31.15545 -29.68846 1.46699 1.99281 -29.72417 823.30810
4860.0000 -31.69873 -30.30514 1.39359 1.95743 -29.92972 799.97531
4865.0000 -31.22055 -29.15922 2.06133 1.96189 -29.90381 789.00345
4870.0000 -31.20778 -29.54961 1.65816 2.04141 -29.44187 935.51348
4875.0000 -31.29417 -29.56710 1.72707 1.97531 -29.82584 810.62053
4880.0000 -30.50847 -28.93187 1.57660 2.06920 -29.28046 943.19255
4885.0000 -31.53685 -30.36855 1.16830 1.96374 -29.89308 856.50612
4890.0000 -31.54706 -30.02343 1.52363 1.90860 -30.21337 740.29394
4895.0000 -31.48019 -30.61865 0.86154 1.92257 -30.13222 725.02927
4900.0000 -30.96164 -29.51220 1.44945 1.89225 -30.30831 699.26176
4905.0000 -31.78985 -30.40851 1.38135 1.87410 -30.41376 659.81573
4910.0000 -31.13810 -30.02521 1.11289 1.88857 -30.32972 666.43369
4915.0000 -31.93087 -30.18389 1.74698 1.91402 -30.18185 760.13799
4920.0000 -30.80134 -29.12550 1.67584 2.07065 -29.27203 882.06085
4925.0000 -30.98254 -30.04975 0.93280 2.05085 -29.38706 771.70451
4930.0000 -30.88995 -29.67156 1.21838 2.05685 -29.35218 785.57018
4935.0000 -31.13301 -29.82613 1.30688 1.98321 -29.77995 718.41596
4940.0000 -31.32854 -30.10847 1.22007 2.01447 -29.59836 828.95916
4945.0000 -31.40185 -29.84725 1.55460 1.95640 -29.93572 782.34726
4950.0000 -31.66687 -29.42452 2.24236 2.01107 -29.61814 925.31630
4955.0000 -30.71161 -29.14128 1.57033 2.06466 -29.30685 872.49508
4960.0000 -31.00228 -29.27764 1.72464 2.05350 -29.37168 836.71618
4965.0000 -31.41901 -29.21427 2.20474 2.02710 -29.52501 835.39840
4970.0000 -31.21326 -28.91134 2.30193 2.13607 -28.89205 995.11928
4975.0000 -30.96449 -29.26276 1.70173 2.10809 -29.05456 978.80325
4980.0000 -31.02783 -29.78911 1.23872 2.02976 -29.50954 816.46784
4985.0000 -30.72242 -29.43609 1.28633 2.05268 -29.37643 774.02875
4990.0000 -30.42573 -29.09430 1.33144 2.11143 -29.03518 860.09656
4995.0000 -30.29178 -29.31968 0.97210 2.05204 -29.38015 815.20682
5000.0000 -31.46817 -29.99603 1.47214 2.01259 -29.60928 841.29150
FREEZING PROCESS: loop number 21 T-loop= 797.00000000000000
main_MD> interactions number 21 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81698 -0.69424 -1.83507
force_rgl> df(natom) 0.75899 1.18636 0.82061
5005.0000 -30.90913 -29.46120 1.44793 1.99040 -29.73822 822.04972
5010.0000 -31.07993 -29.60146 1.47847 2.04439 -29.42456 919.72268
5015.0000 -31.39641 -30.80621 0.59021 1.96809 -29.86779 817.87512
5020.0000 -31.08993 -29.88829 1.20164 1.86466 -30.46857 669.22829
5025.0000 -30.40175 -29.29227 1.10948 1.99977 -29.68374 785.81644
5030.0000 -30.99180 -30.00729 0.98451 1.99745 -29.69723 830.50094
5035.0000 -31.22353 -29.05541 2.16812 2.04554 -29.41791 896.01819
5040.0000 -30.63457 -29.06740 1.56717 2.08567 -29.18480 930.26435
5045.0000 -31.55817 -30.17286 1.38531 2.00841 -29.63356 803.09568
5050.0000 -31.71255 -29.64279 2.06976 1.93168 -30.07928 753.96636
5055.0000 -31.24131 -29.33447 1.90685 2.00005 -29.68215 830.39639
5060.0000 -31.54994 -29.67640 1.87354 2.04571 -29.41690 933.57885
5065.0000 -32.14273 -31.00285 1.13987 1.88328 -30.36046 726.15475
5070.0000 -31.69802 -30.45019 1.24784 1.88374 -30.35775 708.82343
5075.0000 -30.76091 -29.23361 1.52730 2.04891 -29.39830 886.77228
5080.0000 -31.48871 -30.18699 1.30173 2.00107 -29.67623 832.14435
5085.0000 -31.26823 -30.14149 1.12674 1.93350 -30.06874 724.52363
5090.0000 -31.25109 -29.74580 1.50529 1.96698 -29.87421 692.78078
5095.0000 -31.81397 -30.49959 1.31437 1.91733 -30.16266 708.85299
5100.0000 -32.13237 -30.55402 1.57835 1.87255 -30.42279 663.10699
5105.0000 -31.30087 -29.47737 1.82350 1.92459 -30.12049 794.17492
5110.0000 -30.48487 -29.14936 1.33551 2.03404 -29.48467 863.06874
5115.0000 -30.96938 -29.91424 1.05515 2.02163 -29.55680 727.79741
5120.0000 -30.99497 -29.30569 1.68928 2.03534 -29.47714 793.80247
5125.0000 -30.87379 -29.30206 1.57173 2.04908 -29.39733 864.65375
5130.0000 -31.46465 -30.08920 1.37545 1.96314 -29.89654 735.14275
5135.0000 -31.56742 -30.35878 1.20864 1.87652 -30.39971 697.05384
5140.0000 -31.86433 -30.37711 1.48722 1.88597 -30.34483 703.62760
5145.0000 -31.56380 -30.04211 1.52168 2.01428 -29.59951 933.78698
5150.0000 -31.32334 -30.15188 1.17146 1.90585 -30.22932 766.93102
5155.0000 -31.29048 -30.01416 1.27632 1.92547 -30.11537 823.01141
5160.0000 -31.75999 -30.06270 1.69729 1.94124 -30.02373 769.18613
5165.0000 -31.49300 -30.09002 1.40297 1.89533 -30.29044 745.93999
5170.0000 -31.49971 -29.98182 1.51789 1.90830 -30.21509 764.10451
5175.0000 -31.18870 -30.11782 1.07088 1.92149 -30.13850 781.52789
5180.0000 -31.19582 -29.83453 1.36129 1.95424 -29.94825 792.20123
5185.0000 -31.52304 -30.04102 1.48202 1.98278 -29.78245 863.67858
5190.0000 -31.65873 -30.36588 1.29285 1.97354 -29.83611 830.60937
5195.0000 -31.38904 -30.12523 1.26381 1.87897 -30.38548 704.25919
5200.0000 -31.10209 -29.19560 1.90650 2.04411 -29.42623 922.58858
5205.0000 -30.74346 -29.35086 1.39261 2.02036 -29.56418 729.79035
5210.0000 -30.14949 -28.87308 1.27642 2.11524 -29.01300 858.73729
5215.0000 -30.59686 -28.89955 1.69731 2.11991 -28.98590 888.25691
5220.0000 -31.36728 -30.04701 1.32027 2.01353 -29.60385 916.07941
5225.0000 -31.29094 -29.50775 1.78319 1.93838 -30.04037 738.46108
5230.0000 -31.88680 -30.73966 1.14714 1.90488 -30.23495 726.90854
5235.0000 -31.33944 -30.33155 1.00790 1.83300 -30.65252 637.18224
5240.0000 -30.93190 -29.43687 1.49503 1.98381 -29.77646 785.33730
5245.0000 -31.20847 -29.38495 1.82353 2.01951 -29.56908 787.00393
5250.0000 -31.02060 -29.91015 1.11045 2.02768 -29.52166 827.18429
FREEZING PROCESS: loop number 22 T-loop= 772.00000000000000
main_MD> interactions number 22 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85179 -0.38443 2.80759
force_rgl> df(natom) 2.74235 -0.74834 -2.09331
5255.0000 -31.73938 -30.64859 1.09079 1.92179 -30.13673 746.97042
5260.0000 -31.40628 -30.38287 1.02341 1.88644 -30.34210 712.72495
5265.0000 -31.58402 -29.89903 1.68499 1.93481 -30.06113 771.51507
5270.0000 -31.24070 -29.79724 1.44346 1.93152 -30.08020 781.64151
5275.0000 -31.72967 -30.79969 0.92998 1.89153 -30.31251 765.60047
5280.0000 -30.96377 -30.11017 0.85360 1.95031 -29.97108 712.07827
5285.0000 -31.86626 -30.15875 1.70751 1.91369 -30.18379 666.92343
5290.0000 -31.14621 -29.74739 1.39882 1.94195 -30.01960 722.96970
5295.0000 -31.72537 -30.56715 1.15821 1.92431 -30.12208 722.08514
5300.0000 -31.82634 -30.88110 0.94523 1.83356 -30.64924 598.15900
5305.0000 -31.91588 -30.51331 1.40258 1.85983 -30.49662 628.37702
5310.0000 -31.27191 -30.16696 1.10495 1.87475 -30.40999 685.27079
5315.0000 -31.39719 -30.40983 0.98737 1.89646 -30.28387 711.16768
5320.0000 -31.41217 -30.40558 1.00659 1.90190 -30.25228 718.20397
5325.0000 -31.43412 -30.10396 1.33016 1.91069 -30.20119 735.75662
5330.0000 -31.00639 -29.99542 1.01098 1.98162 -29.78918 774.99225
5335.0000 -31.28279 -30.04612 1.23667 1.94809 -29.98394 741.30807
5340.0000 -31.60061 -29.92938 1.67123 1.96859 -29.86487 799.94546
5345.0000 -31.25447 -29.59738 1.65710 2.00813 -29.63521 912.60086
5350.0000 -31.15126 -29.51799 1.63327 1.95226 -29.95976 777.85750
5355.0000 -31.71559 -30.27163 1.44396 1.96041 -29.91242 792.99998
5360.0000 -31.78032 -29.93596 1.84436 1.99450 -29.71436 871.98451
5365.0000 -31.69002 -30.85825 0.83177 1.88188 -30.36856 726.83427
5370.0000 -31.99507 -30.70507 1.29000 1.83141 -30.66176 560.51646
5375.0000 -31.24608 -30.21121 1.03487 1.84722 -30.56988 608.85588
5380.0000 -31.62281 -30.28014 1.34267 1.93100 -30.08322 680.43307
5385.0000 -30.89881 -29.76725 1.13156 1.93266 -30.07357 786.46176
5390.0000 -30.72951 -29.57824 1.15127 2.03501 -29.47909 801.95898
5395.0000 -30.96802 -29.39822 1.56980 1.97187 -29.84584 785.87219
5400.0000 -31.88533 -30.51102 1.37430 1.88734 -30.33687 690.04006
5405.0000 -31.67197 -29.70306 1.96891 1.96373 -29.89311 850.48497
5410.0000 -31.62063 -30.09712 1.52351 1.94403 -30.00757 796.34778
5415.0000 -31.56374 -30.41855 1.14519 1.88686 -30.33966 673.72240
5420.0000 -31.37518 -30.29706 1.07813 1.91188 -30.19430 700.29090
5425.0000 -30.90691 -29.29312 1.61379 1.96472 -29.88736 728.25440
5430.0000 -31.74946 -30.35404 1.39542 1.96829 -29.86662 741.32008
5435.0000 -31.59158 -29.71217 1.87941 1.89488 -30.29305 694.72185
5440.0000 -31.11764 -29.73997 1.37767 1.97683 -29.81702 768.61380
5445.0000 -31.29230 -30.00632 1.28598 1.97553 -29.82455 777.58244
5450.0000 -31.78106 -29.90931 1.87175 1.92480 -30.11924 759.67405
5455.0000 -31.32287 -29.87779 1.44508 1.97767 -29.81215 824.00038
5460.0000 -31.47006 -29.92560 1.54446 1.93146 -30.08054 756.44172
5465.0000 -31.53226 -29.94892 1.58334 1.93517 -30.05902 738.25476
5470.0000 -31.35018 -29.69646 1.65372 1.93568 -30.05604 771.52722
5475.0000 -30.28459 -29.15503 1.12956 2.01703 -29.58348 913.82649
5480.0000 -30.78887 -29.64693 1.14194 2.00774 -29.63746 765.16501
5485.0000 -30.95652 -29.60640 1.35012 2.01056 -29.62110 802.05947
5490.0000 -30.96329 -29.62551 1.33778 1.99707 -29.69947 667.80174
5495.0000 -30.80439 -29.48992 1.31447 2.04458 -29.42347 764.89919
5500.0000 -30.58051 -29.41735 1.16316 2.04456 -29.42360 767.14715
FREEZING PROCESS: loop number 23 T-loop= 747.00000000000000
main_MD> interactions number 23 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.12294 3.80811 -4.09478
force_rgl> df(natom) 0.36358 1.91981 0.54092
5505.0000 -30.62568 -29.47096 1.15472 2.00250 -29.66791 701.00563
5510.0000 -31.28796 -29.91036 1.37760 1.98287 -29.78196 688.77921
5515.0000 -31.17171 -29.97411 1.19759 2.00044 -29.67987 693.42174
5520.0000 -30.87498 -29.74348 1.13150 2.02745 -29.52299 777.76349
5525.0000 -31.04909 -29.29050 1.75859 2.02911 -29.51336 811.72390
5530.0000 -30.03795 -28.78628 1.25167 2.06250 -29.31937 819.54284
5535.0000 -30.27996 -28.92447 1.35548 2.16215 -28.74052 936.69905
5540.0000 -31.41656 -30.22067 1.19589 2.03118 -29.50132 845.41663
5545.0000 -31.26215 -30.25313 1.00902 1.91537 -30.17403 762.05457
5550.0000 -30.68701 -29.41861 1.26840 1.95700 -29.93223 792.89674
5555.0000 -30.74787 -29.85092 0.89695 2.03843 -29.45919 795.20777
5560.0000 -30.84070 -29.38273 1.45797 2.02099 -29.56050 799.18750
5565.0000 -31.33404 -29.73954 1.59450 2.02754 -29.52243 893.25290
5570.0000 -31.70292 -29.76227 1.94066 1.98578 -29.76505 842.24128
5575.0000 -31.66466 -30.82324 0.84142 1.86637 -30.45865 676.07668
5580.0000 -31.60711 -30.87286 0.73424 1.80036 -30.84211 572.41952
5585.0000 -31.68487 -30.29568 1.38919 1.86356 -30.47499 657.92904
5590.0000 -31.62041 -30.26048 1.35993 1.91859 -30.15530 768.78595
5595.0000 -31.60021 -30.62589 0.97432 1.82364 -30.70684 605.38099
5600.0000 -31.84587 -30.09883 1.74704 1.91194 -30.19393 742.26251
5605.0000 -31.79103 -30.79985 0.99118 1.76995 -31.01872 571.63112
5610.0000 -31.87490 -30.98270 0.89220 1.79998 -30.84431 573.53759
5615.0000 -32.06014 -30.83870 1.22144 1.79467 -30.87516 542.38463
5620.0000 -30.97341 -29.98953 0.98387 1.82599 -30.69320 616.15476
5625.0000 -31.65421 -30.40934 1.24487 1.95203 -29.96108 754.09680
5630.0000 -31.91104 -30.20421 1.70683 1.86859 -30.44577 703.63747
5635.0000 -31.20164 -30.12040 1.08124 1.91154 -30.19626 752.73989
5640.0000 -31.78449 -30.63033 1.15416 1.87499 -30.40860 700.74093
5645.0000 -31.56908 -30.76766 0.80142 1.80684 -30.80443 590.57030
5650.0000 -31.48877 -30.33075 1.15802 1.87665 -30.39892 669.45145
5655.0000 -31.76080 -30.54400 1.21680 1.83328 -30.65090 623.90709
5660.0000 -31.68417 -30.35491 1.32926 1.87986 -30.38028 726.18895
5665.0000 -31.70986 -30.81531 0.89455 1.80389 -30.82156 580.09327
5670.0000 -31.75121 -30.89302 0.85818 1.77801 -30.97192 546.58460
5675.0000 -32.42851 -30.79151 1.63700 1.80672 -30.80518 612.88274
5680.0000 -31.96443 -31.02535 0.93908 1.81612 -30.75054 607.14141
5685.0000 -31.02379 -29.66016 1.36364 1.88638 -30.34242 675.07544
5690.0000 -31.90971 -30.28542 1.62429 1.95635 -29.93599 802.53983
5695.0000 -31.56626 -29.74931 1.81695 1.91605 -30.17006 743.11014
5700.0000 -31.16748 -29.94553 1.22194 1.93541 -30.05760 621.11886
5705.0000 -31.87654 -30.52527 1.35126 1.90623 -30.22712 707.80203
5710.0000 -31.45809 -30.15796 1.30013 1.87570 -30.40449 698.82991
5715.0000 -31.96236 -30.96221 1.00015 1.84147 -30.60332 627.50805
5720.0000 -31.40735 -30.66692 0.74044 1.79147 -30.89374 571.31975
5725.0000 -31.41478 -30.35160 1.06318 1.87823 -30.38978 696.91964
5730.0000 -31.76334 -30.25085 1.51249 1.87208 -30.42548 713.25177
5735.0000 -31.59538 -30.62079 0.97459 1.84170 -30.60195 664.83991
5740.0000 -32.01259 -30.68183 1.33076 1.85817 -30.50630 668.78913
5745.0000 -31.41264 -29.95821 1.45443 1.87323 -30.41879 683.88401
5750.0000 -31.42693 -29.43774 1.98919 2.00819 -29.63485 780.35215
FREEZING PROCESS: loop number 24 T-loop= 722.00000000000000
main_MD> interactions number 24 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28865 2.07481 2.51963
force_rgl> df(natom) 0.81486 -1.19153 0.56437
5755.0000 -31.61987 -30.04609 1.57378 1.95371 -29.95133 725.88761
5760.0000 -31.24706 -29.64608 1.60098 1.94368 -30.00960 831.44204
5765.0000 -31.27627 -30.35677 0.91949 1.91429 -30.18028 786.33800
5770.0000 -31.77510 -30.84033 0.93477 1.86670 -30.45673 605.91362
5775.0000 -31.77428 -30.52403 1.25025 1.80215 -30.83168 605.41811
5780.0000 -31.97871 -30.79539 1.18332 1.82302 -30.71049 647.99063
5785.0000 -31.52550 -30.47910 1.04639 1.80276 -30.82813 562.88079
5790.0000 -31.47566 -30.41191 1.06375 1.86961 -30.43985 636.92206
5795.0000 -31.62257 -30.20746 1.41511 1.90294 -30.24625 751.57444
5800.0000 -31.78641 -30.56421 1.22220 1.84891 -30.56010 663.52342
5805.0000 -31.49190 -30.45692 1.03498 1.84473 -30.58433 664.28049
5810.0000 -31.55346 -30.37966 1.17380 1.91177 -30.19491 744.44340
5815.0000 -31.94275 -30.64612 1.29663 1.83525 -30.63942 648.86553
5820.0000 -31.80376 -30.40309 1.40067 1.83815 -30.62259 621.17133
5825.0000 -31.97879 -30.82792 1.15087 1.84864 -30.56167 676.84559
5830.0000 -31.17751 -29.85033 1.32718 1.88449 -30.35339 724.07544
5835.0000 -31.69254 -30.27874 1.41380 1.87639 -30.40046 691.18332
5840.0000 -31.90203 -31.09741 0.80462 1.85761 -30.50954 690.44476
5845.0000 -31.33628 -30.01954 1.31674 1.88468 -30.35230 716.06995
5850.0000 -31.22992 -30.06154 1.16838 1.90949 -30.20818 607.93710
5855.0000 -31.48097 -30.20892 1.27205 1.99454 -29.71414 775.03637
5860.0000 -30.99418 -29.73467 1.25951 1.98076 -29.79420 770.89798
5865.0000 -31.64470 -30.26620 1.37850 1.92678 -30.10773 769.25704
5870.0000 -31.00619 -29.82532 1.18087 1.87338 -30.41793 696.80080
5875.0000 -31.01551 -29.28767 1.72784 2.07708 -29.23470 940.16352
5880.0000 -30.23945 -28.93892 1.30053 2.10824 -29.05366 855.74792
5885.0000 -31.02546 -29.77174 1.25372 2.01955 -29.56885 830.55150
5890.0000 -31.52504 -29.70924 1.81580 1.95835 -29.92435 790.35526
5895.0000 -30.82247 -29.43463 1.38784 2.00975 -29.62578 846.84981
5900.0000 -30.70372 -29.15490 1.54882 2.05644 -29.35456 814.48369
5905.0000 -31.35391 -30.49113 0.86278 2.01522 -29.59404 884.46167
5910.0000 -31.60357 -30.69217 0.91140 1.88566 -30.34662 689.09897
5915.0000 -31.81653 -30.49877 1.31776 1.87447 -30.41159 682.44357
5920.0000 -31.18347 -30.20840 0.97507 1.89203 -30.30958 724.85717
5925.0000 -30.49206 -29.10585 1.38622 1.95809 -29.92586 805.59529
5930.0000 -31.02524 -29.70257 1.32267 1.96518 -29.88470 794.19275
5935.0000 -31.17211 -30.00884 1.16327 1.96396 -29.89179 767.51704
5940.0000 -31.48593 -30.03909 1.44684 1.92916 -30.09390 746.97988
5945.0000 -31.72493 -30.13285 1.59208 1.91558 -30.17283 727.53533
5950.0000 -31.61923 -30.19378 1.42545 1.94946 -29.97603 820.18198
5955.0000 -31.59015 -30.50617 1.08398 1.82725 -30.68587 579.83487
5960.0000 -30.81104 -29.93691 0.87413 1.92005 -30.14682 641.56358
5965.0000 -31.56686 -30.22868 1.33818 2.02707 -29.52518 819.75688
5970.0000 -31.38210 -30.20415 1.17794 1.92136 -30.13921 710.73973
5975.0000 -30.79004 -28.99029 1.79975 1.97232 -29.84324 758.16554
5980.0000 -31.36891 -30.79603 0.57288 1.96096 -29.90921 819.41113
5985.0000 -31.43042 -30.00747 1.42295 1.85239 -30.53988 636.30562
5990.0000 -31.30518 -29.16683 2.13834 1.91583 -30.17137 743.39614
5995.0000 -30.79940 -29.66737 1.13203 2.10583 -29.06768 894.72197
6000.0000 -31.42425 -30.14978 1.27447 1.94770 -29.98624 740.54680
FREEZING PROCESS: loop number 25 T-loop= 697.00000000000000
main_MD> interactions number 25 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.07551 0.90773 -1.76688
force_rgl> df(natom) -0.00341 -1.23427 -3.31068
6005.0000 -31.72583 -30.81890 0.90693 1.85002 -30.55361 616.33385
6010.0000 -31.35430 -30.20855 1.14575 1.86929 -30.44167 667.98356
6015.0000 -31.60412 -30.92468 0.67944 1.84954 -30.55641 636.46437
6020.0000 -31.33259 -30.36437 0.96821 1.89729 -30.27904 707.98438
6025.0000 -31.61585 -30.75854 0.85731 1.82773 -30.68308 603.20290
6030.0000 -31.54142 -30.43039 1.11103 1.87483 -30.40950 666.32597
6035.0000 -31.52876 -30.28526 1.24351 1.91792 -30.15920 722.82351
6040.0000 -31.74331 -30.04255 1.70077 1.90307 -30.24546 709.52979
6045.0000 -30.94849 -29.85223 1.09626 1.92072 -30.14295 695.26060
6050.0000 -31.47049 -29.20890 2.26159 2.07053 -29.27271 890.38344
6055.0000 -31.31711 -30.31975 0.99736 1.98301 -29.78113 775.43607
6060.0000 -31.59657 -30.62033 0.97624 1.86600 -30.46082 658.81152
6065.0000 -31.42722 -29.99155 1.43568 1.87988 -30.38018 685.09572
6070.0000 -31.36781 -30.21083 1.15698 1.89445 -30.29555 611.69984
6075.0000 -31.04396 -29.80087 1.24309 1.92910 -30.09428 629.38172
6080.0000 -31.62423 -30.60589 1.01833 1.90742 -30.22021 780.63202
6085.0000 -31.51971 -30.73580 0.78391 1.87253 -30.42287 683.25547
6090.0000 -31.47746 -29.97048 1.50698 1.85713 -30.51230 653.70513
6095.0000 -31.22980 -29.50145 1.72835 2.02140 -29.55813 825.74586
6100.0000 -31.26595 -30.48897 0.77698 1.94738 -29.98811 750.57086
6105.0000 -31.74760 -30.67561 1.07199 1.84617 -30.57598 602.64209
6110.0000 -32.11990 -30.85101 1.26889 1.82342 -30.70816 613.71180
6115.0000 -31.96626 -30.77321 1.19305 1.82542 -30.69653 610.87655
6120.0000 -31.55170 -30.15342 1.39828 1.84234 -30.59825 664.60892
6125.0000 -31.21911 -30.29550 0.92361 1.91810 -30.15817 705.12783
6130.0000 -30.82323 -29.53329 1.28994 1.98048 -29.79580 714.50868
6135.0000 -30.77388 -29.34491 1.42898 2.01720 -29.58252 720.73518
6140.0000 -31.04377 -29.69848 1.34528 2.03206 -29.49618 798.09646
6145.0000 -31.13077 -30.07854 1.05224 1.97264 -29.84138 722.89738
6150.0000 -31.40746 -30.37168 1.03578 1.87883 -30.38629 699.31043
6155.0000 -31.58894 -30.71429 0.87465 1.84921 -30.55831 662.84320
6160.0000 -31.53715 -29.87155 1.66561 1.92672 -30.10807 799.64242
6165.0000 -30.59831 -29.30019 1.29812 2.01340 -29.60460 898.40021
6170.0000 -31.24193 -29.86717 1.37475 1.99522 -29.71018 875.40429
6175.0000 -31.63237 -30.63112 1.00125 1.88656 -30.34138 672.34040
6180.0000 -31.47259 -30.22593 1.24666 1.87753 -30.39384 674.11941
6185.0000 -31.78179 -30.71968 1.06211 1.83690 -30.62983 617.75156
6190.0000 -31.82367 -30.41848 1.40520 1.89762 -30.27715 717.34347
6195.0000 -31.67215 -30.40560 1.26655 1.89300 -30.30399 700.51625
6200.0000 -31.73714 -30.74438 0.99276 1.82653 -30.69010 604.32085
6205.0000 -31.38644 -30.12487 1.26156 1.83155 -30.66090 636.43487
6210.0000 -31.68540 -30.47883 1.20657 1.82746 -30.68468 610.41583
6215.0000 -31.55806 -30.48184 1.07622 1.87043 -30.43505 698.25732
6220.0000 -31.32987 -29.59293 1.73695 1.93132 -30.08139 764.71533
6225.0000 -31.61285 -30.13069 1.48216 1.98186 -29.78780 828.53049
6230.0000 -32.06239 -30.58313 1.47926 1.92257 -30.13223 705.56617
6235.0000 -31.48051 -30.00803 1.47248 1.89552 -30.28933 706.01785
6240.0000 -30.82375 -29.29885 1.52490 1.98270 -29.78292 840.41066
6245.0000 -31.47628 -29.87712 1.59916 2.09029 -29.15798 1024.58194
6250.0000 -30.99103 -29.81331 1.17772 1.98298 -29.78129 842.38582
FREEZING PROCESS: loop number 26 T-loop= 672.00000000000000
main_MD> interactions number 26 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.56976 -3.13973 3.18111
force_rgl> df(natom) -0.40884 3.32507 -3.35516
6255.0000 -31.07179 -29.64450 1.42729 1.98160 -29.78928 758.97414
6260.0000 -31.06549 -29.75384 1.31166 2.03168 -29.49842 796.78446
6265.0000 -31.49999 -30.22344 1.27656 1.97555 -29.82446 743.33894
6270.0000 -31.82401 -30.34493 1.47909 1.89229 -30.30812 702.80238
6275.0000 -31.76923 -30.28378 1.48545 1.93487 -30.06074 762.22559
6280.0000 -31.62799 -30.78006 0.84793 1.80656 -30.80607 576.56327
6285.0000 -31.86683 -30.72290 1.14393 1.81328 -30.76703 584.58599
6290.0000 -31.66269 -30.77501 0.88768 1.81518 -30.75603 622.42590
6295.0000 -31.70281 -30.15587 1.54694 1.86905 -30.44307 670.19897
6300.0000 -31.92310 -30.79300 1.13010 1.82408 -30.70428 602.16077
6305.0000 -32.01219 -30.99548 1.01671 1.79280 -30.88603 596.20272
6310.0000 -31.87846 -30.74652 1.13194 1.84310 -30.59383 677.60129
6315.0000 -31.87142 -30.64635 1.22507 1.80625 -30.80789 563.92882
6320.0000 -31.75030 -30.41315 1.33715 1.89568 -30.28838 725.24458
6325.0000 -31.52059 -29.96514 1.55545 1.93142 -30.08077 741.78740
6330.0000 -31.81176 -30.73157 1.08019 1.89672 -30.28236 718.57793
6335.0000 -31.44084 -30.23507 1.20577 1.84282 -30.59548 654.73317
6340.0000 -31.49054 -30.35817 1.13236 1.87413 -30.41359 703.75907
6345.0000 -31.61222 -30.24775 1.36447 1.85257 -30.53881 656.77138
6350.0000 -31.65061 -30.91106 0.73954 1.87721 -30.39568 704.53900
6355.0000 -31.13629 -29.79836 1.33793 1.88361 -30.35849 698.67729
6360.0000 -31.67495 -30.35397 1.32098 1.98283 -29.78219 757.15654
6365.0000 -30.87258 -29.81483 1.05776 1.94734 -29.98834 792.50751
6370.0000 -31.37327 -30.33644 1.03683 1.92240 -30.13317 711.73657
6375.0000 -31.89643 -30.36168 1.53474 1.88188 -30.36856 698.59614
6380.0000 -31.60042 -30.38819 1.21223 1.89018 -30.32032 733.60053
6385.0000 -32.10519 -30.83718 1.26801 1.86096 -30.49010 654.12545
6390.0000 -31.97836 -30.81364 1.16471 1.77376 -30.99659 520.84049
6395.0000 -31.82215 -30.99229 0.82986 1.80486 -30.81598 627.44420
6400.0000 -31.68072 -30.57457 1.10614 1.79300 -30.88486 563.67076
6405.0000 -31.66594 -30.07936 1.58658 1.88744 -30.33624 722.94053
6410.0000 -31.97084 -30.93277 1.03807 1.81341 -30.76630 589.43539
6415.0000 -31.93863 -30.87546 1.06317 1.77259 -31.00340 527.38459
6420.0000 -31.38299 -30.19163 1.19136 1.85028 -30.55210 632.82177
6425.0000 -31.30313 -29.80403 1.49910 1.96417 -29.89055 826.14697
6430.0000 -32.04090 -31.08511 0.95579 1.86745 -30.45241 641.66702
6435.0000 -32.07668 -30.88694 1.18975 1.80338 -30.82458 579.81861
6440.0000 -31.71391 -30.42909 1.28482 1.81304 -30.76845 624.74900
6445.0000 -31.24421 -30.21912 1.02509 1.92565 -30.11431 799.33747
6450.0000 -31.88733 -30.85566 1.03167 1.84899 -30.55960 655.08238
6455.0000 -31.82093 -30.41558 1.40534 1.86424 -30.47103 639.39524
6460.0000 -32.08793 -30.91237 1.17556 1.84492 -30.58328 632.21906
6465.0000 -31.88805 -30.89488 0.99317 1.73559 -31.21835 460.01242
6470.0000 -31.76147 -30.55674 1.20472 1.85872 -30.50311 675.63204
6475.0000 -32.01919 -30.35260 1.66659 1.84314 -30.59358 644.50574
6480.0000 -31.76558 -30.76234 1.00324 1.85141 -30.54554 648.05578
6485.0000 -31.82126 -31.00707 0.81419 1.82664 -30.68941 610.65269
6490.0000 -31.27403 -29.93410 1.33993 1.91304 -30.18759 741.39030
6495.0000 -31.59308 -30.36949 1.22358 1.91735 -30.16252 742.12435
6500.0000 -31.79530 -30.51274 1.28255 1.83715 -30.62838 612.67082
FREEZING PROCESS: loop number 27 T-loop= 647.00000000000000
main_MD> interactions number 27 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03090 1.83605 0.02552
force_rgl> df(natom) 0.54245 -0.23233 4.00773
6505.0000 -31.48099 -30.28776 1.19323 1.86475 -30.46808 652.74290
6510.0000 -31.70204 -30.54871 1.15333 1.89772 -30.27656 670.83816
6515.0000 -31.66406 -30.87596 0.78811 1.82451 -30.70181 608.19098
6520.0000 -32.02921 -31.15904 0.87017 1.75336 -31.11512 508.37058
6525.0000 -31.65509 -30.22501 1.43008 1.81341 -30.76627 585.51329
6530.0000 -31.68675 -30.55078 1.13597 1.88917 -30.32619 709.86205
6535.0000 -32.08670 -31.00466 1.08205 1.76792 -31.03051 569.03191
6540.0000 -31.69024 -30.52843 1.16181 1.81512 -30.75637 601.13090
6545.0000 -31.86683 -30.33910 1.52773 1.86211 -30.48340 676.70119
6550.0000 -31.67818 -30.33989 1.33829 1.96561 -29.88217 831.35418
6555.0000 -31.59559 -30.25995 1.33564 1.87447 -30.41161 693.37409
6560.0000 -31.58163 -30.08583 1.49580 1.89291 -30.30448 691.93981
6565.0000 -31.98831 -30.76841 1.21991 1.83131 -30.66232 676.66533
6570.0000 -31.56017 -30.43363 1.12653 1.79901 -30.84996 585.07196
6575.0000 -32.13078 -30.95415 1.17663 1.80981 -30.78723 607.44122
6580.0000 -31.85964 -30.60734 1.25230 1.81829 -30.73796 615.67217
6585.0000 -31.79982 -30.27236 1.52746 1.89344 -30.30139 725.13156
6590.0000 -31.92318 -30.06084 1.86234 1.87882 -30.38635 706.54576
6595.0000 -30.70772 -29.78489 0.92283 1.96349 -29.89452 793.31225
6600.0000 -31.20685 -30.23114 0.97571 1.96224 -29.90175 777.62809
6605.0000 -31.58786 -30.54490 1.04296 1.88885 -30.32805 742.46222
6610.0000 -32.03151 -31.08497 0.94653 1.85860 -30.50379 687.07516
6615.0000 -31.86731 -30.50461 1.36270 1.77220 -31.00565 534.09629
6620.0000 -31.41662 -30.35226 1.06436 1.90178 -30.25298 735.10440
6625.0000 -31.22471 -30.18878 1.03593 1.89299 -30.30404 680.47785
6630.0000 -31.57183 -29.42827 2.14355 1.99151 -29.73175 852.34016
6635.0000 -31.78540 -30.35670 1.42870 1.94684 -29.99120 844.01351
6640.0000 -31.87417 -30.89096 0.98321 1.86326 -30.47674 698.39365
6645.0000 -31.75663 -30.79113 0.96551 1.82258 -30.71304 602.03765
6650.0000 -31.77587 -30.65310 1.12277 1.87434 -30.41235 709.40779
6655.0000 -32.07431 -31.12590 0.94841 1.84382 -30.58963 641.26958
6660.0000 -31.44868 -30.39411 1.05457 1.84694 -30.57154 637.74216
6665.0000 -31.63463 -30.85409 0.78054 1.84797 -30.56554 637.92441
6670.0000 -32.08101 -30.81785 1.26316 1.81373 -30.76446 604.22385
6675.0000 -31.67424 -30.78409 0.89015 1.84039 -30.60960 637.08433
6680.0000 -31.47524 -30.05303 1.42221 1.83321 -30.65127 610.11970
6685.0000 -31.33477 -30.22422 1.11056 1.87649 -30.39988 640.23016
6690.0000 -31.67034 -30.85381 0.81653 1.79857 -30.85247 578.11866
6695.0000 -31.96262 -30.65245 1.31018 1.82953 -30.67263 591.20868
6700.0000 -31.63450 -30.34610 1.28840 1.81888 -30.73450 600.46376
6705.0000 -31.74037 -30.28535 1.45502 1.88761 -30.33526 746.05269
6710.0000 -31.81880 -30.56384 1.25496 1.85881 -30.50256 671.35368
6715.0000 -31.64273 -30.08374 1.55899 1.84592 -30.57742 647.52600
6720.0000 -31.33639 -30.36799 0.96840 1.98102 -29.79269 859.82376
6725.0000 -30.99656 -29.38365 1.61291 1.97297 -29.83941 809.42004
6730.0000 -30.63666 -29.40796 1.22871 2.00005 -29.68215 829.75352
6735.0000 -31.73945 -30.37754 1.36191 1.97388 -29.83416 764.40387
6740.0000 -31.94034 -30.57462 1.36572 1.86757 -30.45166 688.64328
6745.0000 -31.85996 -30.56872 1.29124 1.83928 -30.61603 635.50002
6750.0000 -31.74483 -30.54022 1.20461 1.84446 -30.58590 642.72276
FREEZING PROCESS: loop number 28 T-loop= 622.00000000000000
main_MD> interactions number 28 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.48257 -1.49617 -4.60412
force_rgl> df(natom) -0.90441 -0.29051 0.29874
6755.0000 -31.86772 -30.92245 0.94527 1.81014 -30.78531 578.38123
6760.0000 -32.29438 -31.04188 1.25249 1.79895 -30.85029 574.61482
6765.0000 -31.88539 -30.76449 1.12090 1.80991 -30.78659 594.38130
6770.0000 -31.72622 -30.86689 0.85933 1.81467 -30.75897 614.61000
6775.0000 -32.03094 -30.60186 1.42908 1.78745 -30.91706 569.48080
6780.0000 -32.01402 -30.82569 1.18832 1.84811 -30.56475 674.09055
6785.0000 -31.60192 -30.54442 1.05750 1.81621 -30.75001 586.52946
6790.0000 -31.80756 -30.59312 1.21444 1.85299 -30.53637 636.74375
6795.0000 -31.74621 -30.86855 0.87766 1.81218 -30.77345 599.31982
6800.0000 -31.45474 -30.35845 1.09629 1.82778 -30.68280 615.31934
6805.0000 -32.09072 -30.91738 1.17334 1.82317 -30.70958 618.37075
6810.0000 -32.01847 -30.35747 1.66100 1.84197 -30.60038 613.23626
6815.0000 -31.82343 -30.64466 1.17877 1.86291 -30.47874 661.71310
6820.0000 -31.84335 -30.52964 1.31371 1.87657 -30.39943 597.56457
6825.0000 -31.95204 -30.45406 1.49798 1.82684 -30.68829 617.01043
6830.0000 -31.90378 -30.42131 1.48247 1.91830 -30.15698 779.83096
6835.0000 -32.15143 -30.71246 1.43896 1.84062 -30.60823 632.79162
6840.0000 -31.57417 -30.20261 1.37155 1.89506 -30.29202 797.96978
6845.0000 -31.45601 -30.37864 1.07737 1.91044 -30.20267 750.20434
6850.0000 -32.37504 -31.25656 1.11848 1.79397 -30.87924 587.90757
6855.0000 -31.19246 -30.35523 0.83723 1.78357 -30.93960 529.58201
6860.0000 -32.10278 -31.23643 0.86635 1.81885 -30.73469 596.30381
6865.0000 -31.82722 -30.80817 1.01904 1.77957 -30.96283 547.59990
6870.0000 -31.97558 -30.73296 1.24261 1.79541 -30.87086 571.53071
6875.0000 -31.72225 -30.73978 0.98246 1.84548 -30.58000 655.03465
6880.0000 -31.38704 -30.12639 1.26065 1.83059 -30.66651 605.21750
6885.0000 -31.34676 -29.90422 1.44254 1.94634 -29.99410 743.37162
6890.0000 -32.12132 -30.76949 1.35183 1.85603 -30.51875 667.42206
6895.0000 -31.91148 -30.86789 1.04359 1.78589 -30.92614 548.09766
6900.0000 -31.45911 -30.43221 1.02690 1.78251 -30.94580 536.06070
6905.0000 -31.73736 -30.60169 1.13567 1.85148 -30.54513 636.96766
6910.0000 -31.93780 -30.68285 1.25495 1.84586 -30.57779 656.20625
6915.0000 -31.94641 -30.47805 1.46836 1.84854 -30.56221 648.25622
6920.0000 -31.58568 -30.62485 0.96083 1.83309 -30.65195 624.33783
6925.0000 -32.07564 -30.77792 1.29772 1.78975 -30.90373 567.21790
6930.0000 -31.54597 -30.56227 0.98370 1.80656 -30.80610 585.24861
6935.0000 -31.91112 -31.00146 0.90965 1.83242 -30.65586 612.20041
6940.0000 -31.70347 -30.49372 1.20975 1.82787 -30.68227 658.19469
6945.0000 -31.55351 -30.72083 0.83268 1.80184 -30.83349 613.30797
6950.0000 -31.70100 -30.63273 1.06827 1.82980 -30.67106 658.08463
6955.0000 -31.92932 -30.97272 0.95661 1.81203 -30.77430 609.93052
6960.0000 -31.82170 -30.52437 1.29733 1.80908 -30.79146 611.76550
6965.0000 -31.99825 -30.51665 1.48160 1.86843 -30.44671 677.44398
6970.0000 -31.59517 -30.62876 0.96641 1.88688 -30.33954 731.64482
6975.0000 -31.48254 -30.36301 1.11953 1.85918 -30.50044 679.06425
6980.0000 -31.67679 -30.73773 0.93906 1.85669 -30.51491 674.74033
6985.0000 -31.52634 -30.10711 1.41923 1.87503 -30.40833 714.01361
6990.0000 -31.55533 -30.76236 0.79297 1.87940 -30.38295 706.57106
6995.0000 -31.81848 -30.81730 1.00118 1.79822 -30.85451 566.98192
7000.0000 -31.66860 -30.27394 1.39466 1.83203 -30.65813 668.42496
FREEZING PROCESS: loop number 29 T-loop= 597.00000000000000
main_MD> interactions number 29 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.16208 -2.19365 0.11340
force_rgl> df(natom) 4.73020 1.14415 -0.52576
7005.0000 -32.05739 -30.82171 1.23568 1.82927 -30.67416 613.33351
7010.0000 -31.80430 -30.95549 0.84881 1.80479 -30.81636 578.00384
7015.0000 -32.31638 -31.51417 0.80222 1.75004 -31.13437 496.11876
7020.0000 -31.97245 -30.89709 1.07536 1.75014 -31.13379 482.01405
7025.0000 -31.45833 -30.38734 1.07099 1.80005 -30.84390 557.37163
7030.0000 -31.76422 -30.52449 1.23974 1.88633 -30.34270 695.34755
7035.0000 -31.83491 -31.12468 0.71023 1.77660 -30.98014 528.80287
7040.0000 -31.64610 -31.03620 0.60990 1.78851 -30.91092 552.21076
7045.0000 -31.94829 -31.03543 0.91285 1.77112 -31.01193 552.83031
7050.0000 -32.18764 -31.06521 1.12243 1.72879 -31.25780 455.26665
7055.0000 -31.52925 -30.43387 1.09537 1.87288 -30.42086 668.03469
7060.0000 -32.00861 -30.86851 1.14010 1.82288 -30.71127 622.79472
7065.0000 -32.05907 -30.78660 1.27248 1.80986 -30.78689 628.48165
7070.0000 -32.07475 -30.95227 1.12248 1.73759 -31.20673 479.74318
7075.0000 -32.16561 -31.24115 0.92446 1.74156 -31.18368 464.54781
7080.0000 -32.13278 -31.70272 0.43006 1.72979 -31.25204 444.44697
7085.0000 -32.08088 -30.81796 1.26292 1.75873 -31.08393 514.50464
7090.0000 -31.35698 -30.48388 0.87309 1.81280 -30.76985 600.29176
7095.0000 -31.32608 -30.03242 1.29366 1.86552 -30.46359 628.25037
7100.0000 -31.96313 -30.79956 1.16358 1.81693 -30.74583 570.23121
7105.0000 -31.92068 -30.93222 0.98846 1.80191 -30.83312 569.05141
7110.0000 -32.04671 -30.83592 1.21079 1.81867 -30.73571 653.19293
7115.0000 -31.85298 -31.02009 0.83288 1.82883 -30.67670 608.48316
7120.0000 -32.05724 -30.99541 1.06182 1.77258 -31.00345 544.86030
7125.0000 -32.05222 -31.24675 0.80547 1.75474 -31.10710 502.50166
7130.0000 -32.11525 -31.14963 0.96562 1.80454 -30.81782 585.28606
7135.0000 -32.14478 -30.95362 1.19117 1.77115 -31.01179 523.88187
7140.0000 -31.71845 -30.78905 0.92940 1.78627 -30.92391 527.11852
7145.0000 -32.07087 -30.87843 1.19243 1.79128 -30.89485 564.76036
7150.0000 -31.22214 -30.24995 0.97219 1.84793 -30.56577 650.84779
7155.0000 -31.56554 -30.39082 1.17472 1.88760 -30.33531 695.42561
7160.0000 -32.12771 -31.30709 0.82063 1.81830 -30.73787 576.84880
7165.0000 -32.22939 -30.87194 1.35745 1.73951 -31.19554 493.10814
7170.0000 -31.82333 -31.03024 0.79310 1.78441 -30.93473 541.79377
7175.0000 -32.14181 -30.93930 1.20251 1.80590 -30.80991 629.20654
7180.0000 -31.85876 -30.78961 1.06916 1.77151 -31.00966 568.79988
7185.0000 -32.08814 -30.80415 1.28399 1.80396 -30.82119 596.35979
7190.0000 -32.17629 -31.18424 0.99205 1.78603 -30.92535 533.10421
7195.0000 -32.04769 -30.85422 1.19347 1.81133 -30.77837 604.94602
7200.0000 -31.69849 -30.90666 0.79183 1.80383 -30.82194 559.79956
7205.0000 -31.40584 -30.24842 1.15742 1.86017 -30.49467 675.98376
7210.0000 -31.98708 -30.93948 1.04760 1.83501 -30.64083 637.16891
7215.0000 -31.81196 -30.82089 0.99107 1.79593 -30.86784 559.34877
7220.0000 -31.95425 -31.07801 0.87625 1.77251 -31.00385 533.49145
7225.0000 -31.75148 -31.00758 0.74390 1.73398 -31.22768 481.76755
7230.0000 -32.01743 -31.07720 0.94022 1.78681 -30.92079 542.85496
7235.0000 -31.77883 -30.70802 1.07080 1.81713 -30.74468 624.72442
7240.0000 -31.94943 -31.04819 0.90124 1.78697 -30.91988 556.73560
7245.0000 -31.01628 -30.19542 0.82086 1.87156 -30.42850 668.68254
7250.0000 -31.37034 -30.17629 1.19404 1.87956 -30.38204 670.67598
FREEZING PROCESS: loop number 30 T-loop= 572.00000000000000
main_MD> interactions number 30 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36930 -4.51355 0.45369
force_rgl> df(natom) 1.68650 6.70669 -2.95649
7255.0000 -31.83334 -30.59477 1.23857 1.87461 -30.41078 665.78110
7260.0000 -31.54340 -30.49049 1.05292 1.81385 -30.76373 571.82998
7265.0000 -31.46842 -30.71743 0.75099 1.85520 -30.52356 528.93217
7270.0000 -31.48060 -30.84212 0.63848 1.79057 -30.89899 425.20804
7275.0000 -31.97444 -30.89502 1.07942 1.85365 -30.53256 614.19908
7280.0000 -31.47405 -30.46231 1.01173 1.85809 -30.50674 682.40392
7285.0000 -31.95836 -30.81875 1.13961 1.79348 -30.88203 545.23175
7290.0000 -31.68632 -30.53556 1.15076 1.85149 -30.54509 652.14040
7295.0000 -31.72401 -30.69471 1.02930 1.90013 -30.26252 764.65584
7300.0000 -31.86029 -30.88270 0.97759 1.78273 -30.94450 535.92306
7305.0000 -32.30955 -31.05227 1.25728 1.79986 -30.84500 554.31497
7310.0000 -31.82084 -31.07821 0.74263 1.80996 -30.78636 614.49133
7315.0000 -31.89920 -31.12343 0.77577 1.78645 -30.92292 538.07912
7320.0000 -32.15313 -31.24331 0.90982 1.74189 -31.18171 497.92150
7325.0000 -31.93145 -31.08422 0.84723 1.74046 -31.19007 490.96858
7330.0000 -32.13247 -31.33914 0.79333 1.76270 -31.06087 469.25891
7335.0000 -31.81111 -31.05320 0.75792 1.70496 -31.39626 412.83041
7340.0000 -31.74527 -29.99714 1.74813 1.86106 -30.48953 668.81522
7345.0000 -31.99030 -30.44321 1.54709 1.88690 -30.33940 744.06010
7350.0000 -31.22582 -30.28301 0.94281 1.80243 -30.83005 592.94679
7355.0000 -31.87316 -30.62213 1.25104 1.85690 -30.51364 657.25432
7360.0000 -31.93732 -30.52870 1.40862 1.79639 -30.86517 575.26627
7365.0000 -31.76224 -30.61353 1.14870 1.85408 -30.53003 658.62342
7370.0000 -32.02814 -30.59096 1.43718 1.80355 -30.82354 592.91063
7375.0000 -31.59964 -30.41098 1.18866 1.84006 -30.61149 639.74575
7380.0000 -31.75452 -30.69688 1.05764 1.82639 -30.69089 608.84301
7385.0000 -31.27715 -29.87777 1.39938 1.86588 -30.46150 665.83150
7390.0000 -31.72942 -30.68317 1.04625 1.91821 -30.15756 635.91775
7395.0000 -32.10922 -30.72681 1.38241 1.81474 -30.75859 586.86751
7400.0000 -31.92801 -30.57661 1.35141 1.82301 -30.71052 615.93101
7405.0000 -32.15964 -31.31692 0.84272 1.84822 -30.56409 724.74891
7410.0000 -31.59199 -30.73820 0.85379 1.75983 -31.07750 506.87459
7415.0000 -31.49793 -30.31771 1.18022 1.79867 -30.85189 576.70271
7420.0000 -31.69946 -30.69152 1.00794 1.87424 -30.41294 706.92549
7425.0000 -31.98311 -30.97974 1.00337 1.77952 -30.96316 567.27165
7430.0000 -32.07046 -30.63802 1.43244 1.80333 -30.82486 563.51816
7435.0000 -31.90256 -31.20814 0.69441 1.82469 -30.70076 654.61756
7440.0000 -31.92049 -30.94722 0.97327 1.75055 -31.13141 521.04360
7445.0000 -31.69456 -30.71232 0.98224 1.82771 -30.68320 607.16259
7450.0000 -31.98538 -30.93970 1.04568 1.81562 -30.75346 588.80375
7455.0000 -31.87233 -30.70303 1.16931 1.81688 -30.74613 598.90361
7460.0000 -32.18629 -31.23795 0.94834 1.76076 -31.07214 526.76686
7465.0000 -32.23380 -31.14909 1.08471 1.78250 -30.94585 551.47371
7470.0000 -32.33711 -31.39203 0.94508 1.71528 -31.33630 450.44043
7475.0000 -32.25565 -31.27044 0.98520 1.74637 -31.15571 507.68030
7480.0000 -31.80708 -30.00169 1.80539 1.84293 -30.59484 626.54900
7485.0000 -31.73471 -30.33541 1.39930 1.86438 -30.47022 674.11273
7490.0000 -31.91614 -30.61945 1.29669 1.81963 -30.73018 621.35686
7495.0000 -32.19177 -31.50936 0.68241 1.77360 -30.99751 537.67471
7500.0000 -32.09324 -31.18702 0.90622 1.73432 -31.22571 482.26464
FREEZING PROCESS: loop number 31 T-loop= 547.00000000000000
main_MD> interactions number 31 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.97519 -2.95462 2.14364
force_rgl> df(natom) 0.03740 -2.93210 -3.07650
7505.0000 -31.89548 -30.77556 1.11992 1.80432 -30.81907 592.53237
7510.0000 -32.08188 -31.32944 0.75244 1.75956 -31.07909 534.13399
7515.0000 -31.68547 -30.64385 1.04162 1.79749 -30.85876 581.65307
7520.0000 -31.79255 -30.79022 1.00233 1.79625 -30.86595 576.67650
7525.0000 -31.82115 -30.87465 0.94649 1.77462 -30.99159 523.56300
7530.0000 -31.81114 -30.89653 0.91461 1.80924 -30.79050 589.40527
7535.0000 -31.92412 -30.90407 1.02004 1.81041 -30.78372 589.98172
7540.0000 -31.78480 -30.51779 1.26701 1.80683 -30.80451 589.77123
7545.0000 -31.59773 -30.45644 1.14128 1.86158 -30.48645 630.39433
7550.0000 -31.81101 -30.78528 1.02573 1.87039 -30.43532 713.31078
7555.0000 -31.44982 -30.26378 1.18604 1.84653 -30.57390 608.28183
7560.0000 -31.59992 -30.49007 1.10985 1.90780 -30.21803 657.95376
7565.0000 -32.07353 -31.20185 0.87168 1.80454 -30.81782 548.95256
7570.0000 -32.20793 -31.34808 0.85985 1.73463 -31.22391 476.99581
7575.0000 -31.78154 -30.78287 0.99867 1.76401 -31.05324 522.06421
7580.0000 -31.73360 -30.67654 1.05706 1.77463 -30.99154 521.42126
7585.0000 -31.79119 -30.79338 0.99781 1.80571 -30.81103 605.32479
7590.0000 -32.12645 -31.00013 1.12632 1.77604 -30.98336 537.97672
7595.0000 -32.05743 -30.80132 1.25611 1.76446 -31.05061 530.46814
7600.0000 -32.03419 -31.08206 0.95212 1.78219 -30.94764 572.39582
7605.0000 -32.10031 -31.28837 0.81194 1.72337 -31.28929 474.91492
7610.0000 -31.74833 -30.46288 1.28545 1.77285 -31.00190 503.18546
7615.0000 -31.48061 -30.43556 1.04505 1.85385 -30.53135 644.10304
7620.0000 -31.60553 -30.64046 0.96507 1.84517 -30.58180 637.64583
7625.0000 -31.74111 -30.72269 1.01842 1.81872 -30.73542 594.12647
7630.0000 -31.47559 -30.41153 1.06406 1.86898 -30.44349 660.38245
7635.0000 -32.05441 -31.13045 0.92396 1.83203 -30.65811 579.64941
7640.0000 -32.04316 -30.83264 1.21052 1.76261 -31.06137 512.71829
7645.0000 -32.17559 -31.44666 0.72894 1.73982 -31.19379 520.24367
7650.0000 -32.02007 -31.42087 0.59921 1.72710 -31.26762 472.17748
7655.0000 -32.32666 -31.24107 1.08559 1.71704 -31.32609 433.48394
7660.0000 -32.01977 -31.39511 0.62466 1.71713 -31.32557 434.01920
7665.0000 -32.38892 -31.65050 0.73842 1.72786 -31.26320 454.28954
7670.0000 -32.20731 -31.20246 1.00485 1.69846 -31.43404 434.48931
7675.0000 -32.21131 -30.96439 1.24692 1.73994 -31.19304 484.00052
7680.0000 -31.76647 -31.02942 0.73706 1.78921 -30.90688 569.27327
7685.0000 -32.07358 -30.48489 1.58869 1.79916 -30.84905 576.32582
7690.0000 -31.85271 -31.06033 0.79238 1.85765 -30.50928 682.58025
7695.0000 -31.94562 -30.97665 0.96896 1.77557 -30.98607 543.62930
7700.0000 -31.99876 -31.11803 0.88072 1.75024 -31.13323 513.05331
7705.0000 -32.03030 -30.96751 1.06279 1.77214 -31.00602 558.73624
7710.0000 -32.03278 -30.84460 1.18818 1.75279 -31.11841 519.92705
7715.0000 -32.07735 -31.07652 1.00082 1.75790 -31.08876 509.13923
7720.0000 -32.30989 -31.24116 1.06873 1.75283 -31.11817 506.02045
7725.0000 -31.47349 -30.27776 1.19574 1.82549 -30.69611 607.03543
7730.0000 -32.07614 -31.11701 0.95913 1.86451 -30.46944 670.04862
7735.0000 -31.94889 -31.20937 0.73952 1.73891 -31.19906 488.84358
7740.0000 -31.74033 -30.87381 0.86653 1.73884 -31.19944 491.46063
7745.0000 -31.68220 -30.82966 0.85254 1.80933 -30.79002 592.23899
7750.0000 -32.14737 -31.34268 0.80469 1.82830 -30.67979 624.16394
FREEZING PROCESS: loop number 32 T-loop= 522.00000000000000
main_MD> interactions number 32 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.22726 -0.45300 -0.61314
force_rgl> df(natom) -1.46835 5.63381 0.07458
7755.0000 -32.03971 -30.77539 1.26432 1.77783 -30.97297 578.04782
7760.0000 -32.14400 -30.95169 1.19231 1.80339 -30.82449 574.10365
7765.0000 -31.69955 -30.49604 1.20351 1.80520 -30.81395 582.91399
7770.0000 -32.20175 -31.21067 0.99108 1.80137 -30.83623 574.90302
7775.0000 -31.83914 -30.78457 1.05457 1.76263 -31.06125 524.29088
7780.0000 -32.11656 -30.82248 1.29407 1.80345 -30.82414 602.28650
7785.0000 -32.16087 -30.97088 1.18999 1.77308 -31.00058 530.57317
7790.0000 -32.00538 -30.82158 1.18380 1.77601 -30.98355 534.45503
7795.0000 -31.60703 -30.71341 0.89363 1.77562 -30.98582 524.72556
7800.0000 -31.57011 -30.55766 1.01245 1.87831 -30.38931 688.26805
7805.0000 -31.91039 -30.37602 1.53437 1.89059 -30.31795 693.27526
7810.0000 -31.96698 -30.99280 0.97419 1.80990 -30.78670 600.22280
7815.0000 -31.83568 -30.99378 0.84189 1.77338 -30.99883 546.08593
7820.0000 -32.10278 -30.81048 1.29230 1.80311 -30.82610 576.96421
7825.0000 -31.92452 -30.95732 0.96720 1.78435 -30.93508 545.69999
7830.0000 -32.27739 -31.32683 0.95056 1.71672 -31.32796 452.62594
7835.0000 -32.25182 -31.29527 0.95654 1.73228 -31.23755 464.34708
7840.0000 -32.00147 -31.19706 0.80440 1.72260 -31.29378 478.12846
7845.0000 -31.90091 -30.62824 1.27268 1.77414 -30.99437 578.26932
7850.0000 -31.88698 -31.00486 0.88212 1.80844 -30.79514 614.55926
7855.0000 -31.81892 -31.04199 0.77693 1.74552 -31.16063 476.87547
7860.0000 -32.26695 -31.47722 0.78972 1.74542 -31.16124 469.41992
7865.0000 -32.39800 -31.42143 0.97656 1.71786 -31.32130 445.08544
7870.0000 -31.92520 -31.30232 0.62288 1.70340 -31.40533 432.11794
7875.0000 -32.12794 -31.16195 0.96599 1.74827 -31.14465 482.88994
7880.0000 -31.93744 -31.15511 0.78232 1.77064 -31.01475 522.79589
7885.0000 -32.00927 -31.21589 0.79338 1.76000 -31.07655 509.61263
7890.0000 -32.12837 -31.21382 0.91456 1.72425 -31.28421 460.24831
7895.0000 -31.66658 -30.81688 0.84970 1.77667 -30.97969 550.85228
7900.0000 -31.95440 -30.98389 0.97051 1.77964 -30.96244 545.63531
7905.0000 -32.18001 -31.13262 1.04739 1.74882 -31.14150 520.05486
7910.0000 -32.37785 -31.65293 0.72492 1.71263 -31.35172 463.69456
7915.0000 -32.26488 -31.32590 0.93898 1.69149 -31.47448 395.81449
7920.0000 -32.15062 -31.06278 1.08784 1.75002 -31.13451 507.63023
7925.0000 -32.03236 -30.73006 1.30230 1.78681 -30.92082 563.29741
7930.0000 -31.96215 -30.97803 0.98412 1.80598 -30.80945 558.87601
7935.0000 -31.77783 -30.79676 0.98107 1.79058 -30.89889 574.41261
7940.0000 -32.00163 -30.87753 1.12410 1.78280 -30.94410 529.59990
7945.0000 -32.01715 -30.60181 1.41535 1.80994 -30.78642 571.55864
7950.0000 -31.93842 -30.89879 1.03964 1.76901 -31.02418 541.03482
7955.0000 -31.52834 -30.62181 0.90653 1.79212 -30.88996 568.03638
7960.0000 -32.06886 -31.25767 0.81119 1.77487 -30.99018 516.55269
7965.0000 -32.34605 -31.35607 0.98998 1.75742 -31.09153 512.58882
7970.0000 -32.28449 -31.14492 1.13958 1.72337 -31.28931 448.46824
7975.0000 -31.88341 -30.80529 1.07811 1.77953 -30.96307 535.28527
7980.0000 -31.94809 -31.28144 0.66665 1.75214 -31.12220 497.01881
7985.0000 -32.01557 -31.08454 0.93103 1.73101 -31.24495 484.30127
7990.0000 -32.00421 -30.63448 1.36973 1.80041 -30.84181 600.78559
7995.0000 -31.64125 -30.65580 0.98546 1.80411 -30.82028 574.25910
8000.0000 -32.30814 -31.35176 0.95639 1.75607 -31.09939 492.87991
FREEZING PROCESS: loop number 33 T-loop= 497.00000000000000
main_MD> interactions number 33 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50388 0.80196 0.33616
force_rgl> df(natom) -0.80228 -3.61956 0.61745
8005.0000 -32.07609 -31.08673 0.98936 1.69574 -31.44982 423.46287
8010.0000 -32.21696 -31.51364 0.70333 1.73340 -31.23107 479.03911
8015.0000 -32.26630 -31.19132 1.07498 1.69553 -31.45100 398.35299
8020.0000 -32.17883 -30.97619 1.20264 1.74046 -31.19005 470.72595
8025.0000 -32.20724 -31.28719 0.92004 1.75753 -31.09090 507.09618
8030.0000 -32.04190 -31.24546 0.79643 1.74462 -31.16585 499.62393
8035.0000 -32.14464 -31.27661 0.86803 1.74471 -31.16535 476.32344
8040.0000 -32.15963 -31.10547 1.05416 1.70647 -31.38748 448.82291
8045.0000 -31.93755 -31.21090 0.72665 1.73655 -31.21275 494.29682
8050.0000 -32.07798 -30.73908 1.33890 1.77937 -30.96402 537.32426
8055.0000 -31.62519 -30.77227 0.85292 1.79389 -30.87970 544.00170
8060.0000 -31.51590 -30.21124 1.30466 1.82503 -30.69877 618.94464
8065.0000 -31.60029 -30.28007 1.32021 1.86963 -30.43972 672.95781
8070.0000 -31.95371 -30.99114 0.96258 1.77302 -31.00089 551.36035
8075.0000 -31.80065 -30.88402 0.91663 1.78180 -30.94989 574.25232
8080.0000 -31.85511 -30.71466 1.14045 1.77962 -30.96260 534.55873
8085.0000 -32.12755 -31.02017 1.10738 1.78223 -30.94739 568.51310
8090.0000 -31.84234 -31.00895 0.83338 1.78851 -30.91091 562.77497
8095.0000 -32.07212 -30.85634 1.21577 1.78066 -30.95652 542.17453
8100.0000 -32.31124 -31.69133 0.61991 1.70047 -31.42233 417.05579
8105.0000 -31.98532 -31.35213 0.63318 1.68399 -31.51805 386.71611
8110.0000 -32.15249 -31.51540 0.63709 1.73967 -31.19463 466.57010
8115.0000 -32.12342 -30.92338 1.20004 1.68529 -31.51053 391.10005
8120.0000 -32.21768 -31.12567 1.09201 1.74984 -31.13553 492.71484
8125.0000 -32.09247 -31.32299 0.76948 1.77433 -30.99332 515.11931
8130.0000 -32.09727 -31.53613 0.56114 1.71182 -31.35640 413.05028
8135.0000 -32.22549 -31.50730 0.71820 1.68363 -31.52017 411.32109
8140.0000 -32.29696 -31.30100 0.99595 1.70424 -31.40043 424.96729
8145.0000 -31.96279 -30.97228 0.99052 1.74442 -31.16704 489.85168
8150.0000 -32.24550 -31.46629 0.77921 1.72256 -31.29400 459.52919
8155.0000 -32.21957 -31.34296 0.87661 1.71466 -31.33991 455.16881
8160.0000 -32.04784 -31.37221 0.67563 1.71374 -31.34525 459.29508
8165.0000 -32.16711 -31.45286 0.71424 1.72114 -31.30226 471.47990
8170.0000 -32.33237 -31.59824 0.73413 1.69019 -31.48203 394.68161
8175.0000 -31.96973 -31.25335 0.71639 1.73400 -31.22754 492.66471
8180.0000 -31.95907 -30.99188 0.96719 1.73029 -31.24909 472.03232
8185.0000 -32.15739 -31.10981 1.04757 1.76020 -31.07539 518.53086
8190.0000 -31.74601 -30.99420 0.75181 1.77702 -30.97764 539.24534
8195.0000 -31.98579 -31.01011 0.97568 1.78720 -30.91854 547.06906
8200.0000 -31.94542 -31.07540 0.87002 1.76154 -31.06758 515.58602
8205.0000 -32.24042 -31.27070 0.96971 1.73341 -31.23100 494.71951
8210.0000 -32.01436 -31.24640 0.76796 1.76452 -31.05027 521.23173
8215.0000 -32.35143 -31.70020 0.65124 1.68450 -31.51510 392.50888
8220.0000 -32.02317 -31.33730 0.68586 1.67683 -31.55964 409.06418
8225.0000 -32.34214 -31.43443 0.90771 1.73485 -31.22264 476.30404
8230.0000 -31.85674 -30.80275 1.05400 1.75247 -31.12029 502.01324
8235.0000 -31.83949 -31.02848 0.81102 1.79927 -30.84841 556.27285
8240.0000 -32.03093 -31.22094 0.80999 1.74800 -31.14627 482.61811
8245.0000 -32.39829 -31.27442 1.12387 1.74316 -31.17435 543.57975
8250.0000 -31.95566 -31.30370 0.65195 1.73676 -31.21154 474.74937
FREEZING PROCESS: loop number 34 T-loop= 472.00000000000000
main_MD> interactions number 34 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.00489 0.00752 1.38804
force_rgl> df(natom) -2.17988 -0.45242 -3.85048
8255.0000 -32.41124 -31.53444 0.87680 1.68940 -31.48662 394.67124
8260.0000 -32.25348 -31.38876 0.86473 1.69447 -31.45717 399.41006
8265.0000 -32.38062 -31.47319 0.90744 1.71259 -31.35194 442.02952
8270.0000 -32.18439 -31.28402 0.90036 1.72071 -31.30477 455.19176
8275.0000 -32.18059 -31.41521 0.76538 1.68005 -31.54096 382.56970
8280.0000 -31.93243 -30.76152 1.17091 1.78146 -30.95189 541.97255
8285.0000 -31.82143 -30.80625 1.01519 1.78874 -30.90957 554.84400
8290.0000 -32.02546 -31.16474 0.86072 1.74015 -31.19183 463.19101
8295.0000 -32.17556 -31.43551 0.74004 1.73312 -31.23271 464.42577
8300.0000 -32.04891 -30.90072 1.14819 1.74959 -31.13700 517.69688
8305.0000 -32.14382 -31.18117 0.96265 1.74659 -31.15443 521.49375
8310.0000 -32.34091 -31.41042 0.93050 1.71984 -31.30979 432.41821
8315.0000 -32.07329 -31.32765 0.74564 1.73396 -31.22778 450.13710
8320.0000 -32.12853 -31.09690 1.03163 1.71796 -31.32071 462.24508
8325.0000 -32.24533 -31.06324 1.18209 1.75189 -31.12363 518.56908
8330.0000 -32.07480 -31.08267 0.99213 1.75308 -31.11673 501.13432
8335.0000 -32.17882 -31.34150 0.83731 1.73964 -31.19479 485.46253
8340.0000 -32.06179 -30.95770 1.10409 1.72568 -31.27591 462.00737
8345.0000 -32.00271 -31.30798 0.69473 1.73024 -31.24941 477.15186
8350.0000 -31.81209 -30.47369 1.33840 1.76505 -31.04718 503.33465
8355.0000 -31.76692 -30.58854 1.17838 1.81804 -30.73937 613.62239
8360.0000 -31.94116 -30.96184 0.97932 1.82220 -30.71525 598.15882
8365.0000 -32.16784 -31.37112 0.79671 1.73835 -31.20227 492.56765
8370.0000 -31.99796 -30.99177 1.00620 1.72561 -31.27628 463.87527
8375.0000 -32.35447 -31.08023 1.27424 1.73103 -31.24482 471.42891
8380.0000 -32.29299 -31.41380 0.87918 1.72440 -31.28335 462.20776
8385.0000 -32.38925 -31.37947 1.00978 1.70566 -31.39219 432.09953
8390.0000 -31.91511 -31.23986 0.67525 1.74480 -31.16484 475.45738
8395.0000 -32.33478 -31.49030 0.84448 1.72236 -31.29517 437.95506
8400.0000 -32.03713 -31.31995 0.71718 1.72362 -31.28783 440.96875
8405.0000 -32.08008 -31.30156 0.77852 1.71018 -31.36594 460.51426
8410.0000 -32.34032 -31.69211 0.64820 1.69242 -31.46911 410.38340
8415.0000 -32.19731 -31.33969 0.85763 1.67257 -31.58440 388.47516
8420.0000 -32.11093 -31.46360 0.64733 1.71788 -31.32118 473.04556
8425.0000 -32.14006 -31.48974 0.65032 1.67269 -31.58369 356.02975
8430.0000 -32.31130 -31.34841 0.96289 1.68704 -31.50033 389.75874
8435.0000 -32.10240 -31.23373 0.86867 1.72598 -31.27416 463.87590
8440.0000 -32.32368 -31.57845 0.74524 1.70233 -31.41151 428.15039
8445.0000 -31.98543 -31.31463 0.67080 1.67439 -31.57380 363.42277
8450.0000 -31.78227 -30.93955 0.84273 1.80360 -30.82325 582.94180
8455.0000 -32.10273 -31.25368 0.84905 1.71678 -31.32759 430.54200
8460.0000 -32.10742 -31.04338 1.06404 1.74984 -31.13554 515.63607
8465.0000 -32.03108 -31.16246 0.86862 1.74801 -31.14616 492.01046
8470.0000 -32.03529 -31.00991 1.02538 1.76177 -31.06625 510.97966
8475.0000 -31.79827 -31.00278 0.79550 1.79765 -30.85785 562.08213
8480.0000 -32.04555 -31.25780 0.78774 1.72501 -31.27980 454.61672
8485.0000 -32.40267 -31.62311 0.77956 1.68480 -31.51336 382.65899
8490.0000 -32.21690 -31.29238 0.92452 1.69698 -31.44263 440.90726
8495.0000 -32.06264 -30.93803 1.12461 1.73127 -31.24341 484.43664
8500.0000 -32.01809 -30.80963 1.20846 1.77752 -30.97477 586.22628
FREEZING PROCESS: loop number 35 T-loop= 447.00000000000000
main_MD> interactions number 35 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.28085 -1.29152 -0.06593
force_rgl> df(natom) 2.93244 -0.43819 2.09441
8505.0000 -32.07466 -30.90271 1.17194 1.76148 -31.06796 520.36897
8510.0000 -32.18843 -31.23217 0.95626 1.75660 -31.09627 554.21595
8515.0000 -32.55453 -31.69685 0.85769 1.67715 -31.55781 425.04796
8520.0000 -32.25261 -31.35769 0.89492 1.66325 -31.63852 389.68301
8525.0000 -32.15709 -31.45800 0.69909 1.67632 -31.56264 395.94974
8530.0000 -32.26055 -31.65138 0.60917 1.65660 -31.67715 336.81993
8535.0000 -32.46146 -31.59404 0.86742 1.69313 -31.46499 402.53048
8540.0000 -32.21199 -31.44956 0.76244 1.69614 -31.44746 442.09316
8545.0000 -32.24917 -31.69687 0.55231 1.67633 -31.56255 393.55305
8550.0000 -32.23560 -31.51130 0.72430 1.67653 -31.56137 382.33726
8555.0000 -31.97881 -31.28083 0.69798 1.70485 -31.39688 420.82245
8560.0000 -31.97888 -30.94363 1.03525 1.73315 -31.23250 450.86128
8565.0000 -32.02139 -31.01455 1.00685 1.77214 -31.00603 510.86655
8570.0000 -32.33557 -31.37803 0.95754 1.75970 -31.07827 510.53906
8575.0000 -32.14700 -31.37179 0.77521 1.71767 -31.32245 448.34559
8580.0000 -32.02090 -31.17681 0.84409 1.73116 -31.24407 478.77461
8585.0000 -31.91923 -30.95497 0.96427 1.76310 -31.05852 526.05878
8590.0000 -32.37861 -31.68231 0.69630 1.70522 -31.39472 434.60940
8595.0000 -32.26937 -31.46527 0.80410 1.67637 -31.56233 385.93005
8600.0000 -32.18833 -31.38468 0.80365 1.70097 -31.41946 422.22186
8605.0000 -32.10279 -31.40620 0.69659 1.73875 -31.19998 503.92785
8610.0000 -32.08156 -31.38667 0.69489 1.70687 -31.38518 420.74286
8615.0000 -32.30089 -31.42561 0.87528 1.71400 -31.34373 453.77700
8620.0000 -31.95857 -31.15267 0.80590 1.72748 -31.26543 440.90041
8625.0000 -32.02934 -31.06996 0.95937 1.72125 -31.30162 447.19467
8630.0000 -31.81678 -31.13424 0.68253 1.71456 -31.34050 440.43990
8635.0000 -31.91999 -30.73119 1.18880 1.79858 -30.85242 571.23076
8640.0000 -32.03403 -30.93006 1.10397 1.78301 -30.94285 571.96094
8645.0000 -32.09457 -31.34992 0.74464 1.73125 -31.24356 477.11618
8650.0000 -32.11446 -31.39355 0.72092 1.71512 -31.33723 431.92203
8655.0000 -31.85832 -31.04619 0.81213 1.75058 -31.13125 498.75775
8660.0000 -31.99691 -31.49095 0.50596 1.73551 -31.21882 474.21120
8665.0000 -32.37389 -31.33181 1.04208 1.70950 -31.36988 443.95871
8670.0000 -32.42003 -31.57864 0.84139 1.70399 -31.40191 408.63442
8675.0000 -32.10843 -31.36677 0.74167 1.71243 -31.35287 435.13014
8680.0000 -32.26456 -31.43119 0.83338 1.71056 -31.36372 444.49478
8685.0000 -32.33922 -31.79416 0.54506 1.69363 -31.46205 435.95336
8690.0000 -32.38742 -31.64095 0.74647 1.67114 -31.59268 368.84155
8695.0000 -32.16927 -31.19341 0.97586 1.70671 -31.38611 462.49724
8700.0000 -31.98337 -31.38197 0.60140 1.72672 -31.26988 441.07250
8705.0000 -32.08724 -31.27751 0.80972 1.70383 -31.40279 406.71133
8710.0000 -32.04060 -31.36270 0.67790 1.72194 -31.29760 457.22439
8715.0000 -31.96739 -31.49735 0.47004 1.68416 -31.51705 398.00310
8720.0000 -32.17561 -30.99750 1.17811 1.76173 -31.06650 529.62783
8725.0000 -32.20601 -31.53727 0.66874 1.75198 -31.12315 526.59250
8730.0000 -32.01868 -31.16768 0.85101 1.71191 -31.35585 447.35816
8735.0000 -32.15854 -31.19225 0.96630 1.74407 -31.16910 479.90865
8740.0000 -32.18356 -30.80590 1.37766 1.75198 -31.12315 510.42982
8745.0000 -32.25929 -31.26286 0.99643 1.72898 -31.25675 462.42000
8750.0000 -32.33297 -31.50455 0.82842 1.71158 -31.35780 445.48366
FREEZING PROCESS: loop number 36 T-loop= 422.00000000000000
main_MD> interactions number 36 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.00341 1.48671 0.49698
force_rgl> df(natom) -3.77140 -1.08587 -3.34093
8755.0000 -32.23672 -31.26038 0.97633 1.67903 -31.54688 408.80337
8760.0000 -31.83784 -31.07592 0.76192 1.73420 -31.22638 495.47516
8765.0000 -32.39271 -31.40759 0.98512 1.69267 -31.46762 421.06904
8770.0000 -32.31216 -31.58663 0.72553 1.71324 -31.34817 463.67022
8775.0000 -32.45595 -31.86356 0.59239 1.65866 -31.66521 356.06612
8780.0000 -32.28638 -31.45590 0.83048 1.65831 -31.66721 356.80182
8785.0000 -32.30658 -31.80616 0.50042 1.67577 -31.56583 380.35485
8790.0000 -32.11853 -31.59027 0.52826 1.67693 -31.55907 389.23594
8795.0000 -32.36428 -31.66691 0.69737 1.68543 -31.50969 388.81750
8800.0000 -32.56298 -31.63959 0.92338 1.65322 -31.69682 354.73273
8805.0000 -32.12685 -31.30285 0.82400 1.68164 -31.53169 404.39598
8810.0000 -32.14823 -31.21944 0.92879 1.75054 -31.13147 486.45521
8815.0000 -32.39372 -31.44235 0.95137 1.66444 -31.63163 367.94879
8820.0000 -32.49907 -31.70675 0.79232 1.68632 -31.50451 397.93311
8825.0000 -32.48888 -31.75575 0.73313 1.65689 -31.67549 349.10128
8830.0000 -32.26620 -31.31413 0.95207 1.68567 -31.50833 383.85103
8835.0000 -32.03525 -31.38655 0.64870 1.70769 -31.38037 429.58869
8840.0000 -32.41464 -31.37399 1.04065 1.71217 -31.35439 432.32233
8845.0000 -32.31971 -31.52408 0.79563 1.67570 -31.56619 392.54158
8850.0000 -32.14575 -31.47761 0.66814 1.71043 -31.36450 448.49477
8855.0000 -31.71130 -31.26555 0.44575 1.71425 -31.34229 471.98270
8860.0000 -32.22473 -31.53984 0.68489 1.70212 -31.41277 414.98570
8865.0000 -32.23693 -31.51761 0.71932 1.70829 -31.37691 441.91066
8870.0000 -31.91964 -30.89018 1.02946 1.73529 -31.22009 480.65238
8875.0000 -31.92876 -31.15741 0.77135 1.74204 -31.18087 493.87469
8880.0000 -32.20644 -31.54878 0.65766 1.70187 -31.41419 407.94149
8885.0000 -32.20640 -31.68557 0.52083 1.67399 -31.57612 371.14004
8890.0000 -32.28144 -31.57347 0.70798 1.66651 -31.61961 363.52206
8895.0000 -32.43804 -31.27663 1.16141 1.69397 -31.46010 430.17566
8900.0000 -32.58908 -31.60142 0.98766 1.67299 -31.58197 407.13665
8905.0000 -31.88675 -31.14195 0.74480 1.72157 -31.29976 486.92183
8910.0000 -32.31636 -31.44281 0.87355 1.72472 -31.28149 480.50001
8915.0000 -31.98129 -31.25321 0.72808 1.75769 -31.08996 509.56247
8920.0000 -32.19938 -31.43203 0.76736 1.74201 -31.18104 467.50658
8925.0000 -32.05475 -31.45306 0.60169 1.70268 -31.40948 421.19226
8930.0000 -31.87125 -31.15880 0.71246 1.73158 -31.24165 476.62054
8935.0000 -32.59234 -31.81012 0.78222 1.69355 -31.46255 415.62546
8940.0000 -32.31203 -31.60672 0.70531 1.65975 -31.65888 366.35509
8945.0000 -32.17998 -31.43209 0.74789 1.69760 -31.43903 416.60437
8950.0000 -32.03044 -31.20459 0.82585 1.68309 -31.52329 394.71942
8955.0000 -32.44624 -31.68667 0.75957 1.68113 -31.53467 387.69079
8960.0000 -32.16184 -31.15233 1.00951 1.70313 -31.40690 412.79559
8965.0000 -32.37175 -31.43136 0.94040 1.72599 -31.27407 462.89816
8970.0000 -32.35143 -31.59549 0.75594 1.68890 -31.48957 397.57965
8975.0000 -32.22548 -31.36645 0.85904 1.68471 -31.51389 403.98562
8980.0000 -32.12096 -31.39170 0.72926 1.70580 -31.39138 448.25592
8985.0000 -31.96262 -31.22442 0.73819 1.70262 -31.40986 434.76986
8990.0000 -32.38946 -31.64328 0.74618 1.70675 -31.38584 435.70666
8995.0000 -32.38603 -31.66902 0.71701 1.64668 -31.73478 337.30262
9000.0000 -32.15766 -31.42002 0.73764 1.69418 -31.45887 405.08603
FREEZING PROCESS: loop number 37 T-loop= 397.00000000000000
main_MD> interactions number 37 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37495 0.23151 -0.02888
force_rgl> df(natom) -1.31296 -2.81237 -1.22094
9005.0000 -32.24885 -31.35094 0.89791 1.73504 -31.22153 489.05801
9010.0000 -32.28550 -31.68335 0.60215 1.66973 -31.60092 380.89819
9015.0000 -32.31745 -31.39854 0.91891 1.65691 -31.67534 353.08478
9020.0000 -32.34435 -31.22019 1.12416 1.70998 -31.36707 471.59301
9025.0000 -31.97713 -31.15296 0.82417 1.74766 -31.14823 495.97930
9030.0000 -32.31338 -31.35454 0.95884 1.73152 -31.24198 477.87137
9035.0000 -32.14086 -31.35181 0.78905 1.73101 -31.24494 479.34573
9040.0000 -32.30194 -31.49815 0.80378 1.70829 -31.37691 436.26278
9045.0000 -32.29793 -31.37978 0.91814 1.70202 -31.41332 430.39967
9050.0000 -32.25219 -31.59571 0.65648 1.66446 -31.63150 387.87764
9055.0000 -32.25692 -31.52455 0.73238 1.65701 -31.67481 367.27231
9060.0000 -32.21928 -31.51420 0.70508 1.67040 -31.59700 372.81503
9065.0000 -32.51744 -31.72303 0.79440 1.66352 -31.63696 367.55032
9070.0000 -32.26725 -31.34123 0.92602 1.67618 -31.56346 405.91939
9075.0000 -32.50014 -31.64381 0.85633 1.68795 -31.49507 409.04202
9080.0000 -32.42737 -32.00025 0.42711 1.61929 -31.89387 302.05444
9085.0000 -32.22385 -31.28355 0.94030 1.68385 -31.51887 401.11338
9090.0000 -32.11469 -31.31244 0.80225 1.71759 -31.32289 472.51026
9095.0000 -32.21147 -31.64650 0.56497 1.70466 -31.39797 431.27355
9100.0000 -32.09513 -31.42401 0.67112 1.67477 -31.57160 353.58450
9105.0000 -32.25573 -31.62946 0.62626 1.70928 -31.37118 434.72876
9110.0000 -32.09475 -31.25294 0.84180 1.69331 -31.46392 407.78455
9115.0000 -31.86729 -31.13392 0.73337 1.76483 -31.04850 523.74987
9120.0000 -32.06493 -31.16195 0.90298 1.74015 -31.19184 508.98809
9125.0000 -32.03941 -31.04105 0.99835 1.74893 -31.14082 521.39922
9130.0000 -32.44396 -31.46049 0.98347 1.73480 -31.22293 471.34471
9135.0000 -32.48466 -31.78229 0.70237 1.67842 -31.55043 407.74027
9140.0000 -32.11103 -31.13749 0.97354 1.69799 -31.43675 420.94176
9145.0000 -32.29542 -31.50926 0.78616 1.70580 -31.39137 425.14065
9150.0000 -32.33924 -31.31749 1.02175 1.70490 -31.39662 428.80486
9155.0000 -31.63197 -31.17560 0.45637 1.72133 -31.30118 453.91705
9160.0000 -31.96340 -31.11407 0.84934 1.74793 -31.14663 485.90836
9165.0000 -32.00310 -30.93241 1.07069 1.76539 -31.04523 506.89581
9170.0000 -32.11126 -31.20899 0.90227 1.72582 -31.27505 455.10223
9175.0000 -32.34061 -31.44251 0.89810 1.72965 -31.25285 465.59407
9180.0000 -32.21147 -31.54097 0.67050 1.69142 -31.47490 424.87396
9185.0000 -32.02887 -31.20466 0.82421 1.69312 -31.46500 425.34181
9190.0000 -32.22931 -31.48336 0.74595 1.69964 -31.42715 405.19726
9195.0000 -32.44273 -31.66448 0.77825 1.66106 -31.65123 363.75278
9200.0000 -32.09814 -31.56258 0.53556 1.65417 -31.69129 339.46578
9205.0000 -32.27373 -31.56823 0.70551 1.68207 -31.52919 402.01846
9210.0000 -32.30170 -31.68028 0.62142 1.66118 -31.65058 365.23070
9215.0000 -32.08574 -31.32026 0.76548 1.68433 -31.51609 376.94225
9220.0000 -32.09772 -31.26447 0.83325 1.70942 -31.37034 422.97761
9225.0000 -32.32028 -31.28685 1.03343 1.72985 -31.25167 457.52436
9230.0000 -32.22736 -31.51502 0.71233 1.69937 -31.42873 417.03530
9235.0000 -32.14462 -31.34230 0.80232 1.69066 -31.47930 422.21463
9240.0000 -32.26315 -31.55166 0.71150 1.71565 -31.33416 462.63005
9245.0000 -32.29991 -31.86860 0.43131 1.65949 -31.66038 348.22841
9250.0000 -32.29360 -31.57048 0.72312 1.63686 -31.79183 306.57092
FREEZING PROCESS: loop number 38 T-loop= 372.00000000000000
main_MD> interactions number 38 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72378 1.05921 2.34934
force_rgl> df(natom) 1.12542 0.69097 -1.04266
9255.0000 -32.17239 -31.44843 0.72395 1.71374 -31.34522 453.28051
9260.0000 -32.41652 -31.44789 0.96863 1.67767 -31.55479 374.46063
9265.0000 -32.10643 -31.27737 0.82906 1.71210 -31.35478 432.42357
9270.0000 -32.49723 -31.91848 0.57875 1.67731 -31.55685 392.41395
9275.0000 -32.38449 -31.54220 0.84229 1.65196 -31.70413 374.58984
9280.0000 -32.20099 -31.49277 0.70822 1.68708 -31.50014 418.53060
9285.0000 -32.10688 -31.56108 0.54581 1.68898 -31.48905 405.50156
9290.0000 -31.84843 -31.11517 0.73325 1.70568 -31.39207 416.35858
9295.0000 -32.12957 -31.16706 0.96251 1.76789 -31.03072 516.71996
9300.0000 -32.12242 -31.61942 0.50300 1.70551 -31.39303 408.23009
9305.0000 -32.28493 -31.68897 0.59596 1.66781 -31.61205 358.64907
9310.0000 -32.25105 -31.62390 0.62715 1.64093 -31.76818 318.73933
9315.0000 -32.24998 -31.52164 0.72834 1.68808 -31.49432 405.67308
9320.0000 -32.33388 -31.84123 0.49265 1.65564 -31.68277 357.40559
9325.0000 -32.46178 -31.88657 0.57520 1.64279 -31.75737 332.82292
9330.0000 -32.29359 -31.41729 0.87629 1.69075 -31.47879 408.46691
9335.0000 -32.26745 -31.57782 0.68963 1.70293 -31.40803 416.41008
9340.0000 -32.11085 -31.36356 0.74729 1.69814 -31.43587 398.35916
9345.0000 -32.18513 -31.61732 0.56781 1.70663 -31.38656 440.26968
9350.0000 -32.28551 -31.61112 0.67438 1.67157 -31.59023 348.84748
9355.0000 -32.10632 -31.19334 0.91298 1.69143 -31.47483 423.28640
9360.0000 -32.38642 -31.68410 0.70232 1.68934 -31.48699 417.85321
9365.0000 -32.38093 -31.75513 0.62580 1.64432 -31.74852 349.31155
9370.0000 -32.57652 -31.45093 1.12559 1.67584 -31.56541 367.85640
9375.0000 -32.33181 -31.66990 0.66191 1.67716 -31.55776 368.62887
9380.0000 -32.29815 -31.68717 0.61098 1.66946 -31.60244 371.28030
9385.0000 -32.45717 -31.80952 0.64765 1.64643 -31.73623 325.86912
9390.0000 -32.18192 -31.57852 0.60340 1.63497 -31.80281 312.51105
9395.0000 -32.10432 -31.80199 0.30233 1.66019 -31.65633 344.62988
9400.0000 -32.17687 -31.84158 0.33528 1.62731 -31.84729 291.61953
9405.0000 -32.11456 -31.51244 0.60212 1.68234 -31.52762 400.97613
9410.0000 -32.33605 -31.75169 0.58436 1.64684 -31.73384 336.67684
9415.0000 -32.39600 -31.69331 0.70269 1.67366 -31.57807 383.71709
9420.0000 -32.14295 -31.51011 0.63283 1.70454 -31.39870 428.91797
9425.0000 -32.20455 -31.60914 0.59541 1.69524 -31.45271 415.86061
9430.0000 -32.29810 -31.42491 0.87320 1.65973 -31.65900 342.17683
9435.0000 -32.33504 -31.64969 0.68535 1.64960 -31.71780 333.84172
9440.0000 -32.24269 -31.66089 0.58180 1.66236 -31.64368 365.33336
9445.0000 -32.18888 -31.76470 0.42418 1.61880 -31.89674 294.46123
9450.0000 -32.64904 -32.03760 0.61143 1.62168 -31.88001 310.75798
9455.0000 -32.22995 -31.60020 0.62975 1.62204 -31.87793 317.01928
9460.0000 -32.23942 -31.46014 0.77928 1.67451 -31.57311 387.57961
9465.0000 -32.41955 -31.88500 0.53455 1.63623 -31.79548 313.47379
9470.0000 -32.07599 -31.61619 0.45980 1.62539 -31.85843 272.65583
9475.0000 -32.25803 -31.36851 0.88952 1.68986 -31.48398 399.14778
9480.0000 -32.28867 -31.59846 0.69021 1.69692 -31.44298 409.24953
9485.0000 -32.23035 -31.88701 0.34333 1.65028 -31.71386 322.48296
9490.0000 -32.30468 -31.61355 0.69112 1.65894 -31.66357 353.84083
9495.0000 -32.21260 -31.45757 0.75503 1.68314 -31.52297 414.24520
9500.0000 -32.18515 -31.27077 0.91438 1.70632 -31.38834 447.28974
FREEZING PROCESS: loop number 39 T-loop= 347.00000000000000
main_MD> interactions number 39 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.88453 0.42918 1.43741
force_rgl> df(natom) -3.27881 0.49899 -3.68929
9505.0000 -32.23754 -31.57808 0.65946 1.67375 -31.57752 383.22154
9510.0000 -32.32495 -31.55649 0.76846 1.67597 -31.56463 386.42082
9515.0000 -32.18169 -31.44541 0.73628 1.69436 -31.45780 401.52827
9520.0000 -32.14509 -31.44418 0.70091 1.70184 -31.41438 439.41519
9525.0000 -32.41457 -31.89697 0.51760 1.65602 -31.68055 344.62564
9530.0000 -32.44733 -31.84897 0.59836 1.61735 -31.90515 282.87692
9535.0000 -32.53273 -32.13963 0.39310 1.62529 -31.85906 307.00472
9540.0000 -32.68275 -32.15272 0.53004 1.59293 -32.04698 258.72099
9545.0000 -32.35524 -31.87638 0.47886 1.61107 -31.94161 279.85189
9550.0000 -32.38007 -31.88067 0.49939 1.62463 -31.86288 292.52150
9555.0000 -32.46307 -31.92712 0.53595 1.61750 -31.90431 304.59168
9560.0000 -32.18735 -31.60357 0.58378 1.62425 -31.86510 315.69698
9565.0000 -32.21473 -31.69609 0.51864 1.67371 -31.57776 361.34221
9570.0000 -32.03574 -31.48489 0.55085 1.67768 -31.55469 378.52570
9575.0000 -32.50837 -31.86399 0.64437 1.63569 -31.79865 323.14341
9580.0000 -32.37148 -31.66392 0.70756 1.64777 -31.72844 340.32327
9585.0000 -32.51056 -32.03021 0.48035 1.62365 -31.86858 323.33686
9590.0000 -32.18871 -31.46818 0.72053 1.61623 -31.91166 292.05818
9595.0000 -32.07610 -31.40211 0.67399 1.69892 -31.43133 405.90064
9600.0000 -32.25812 -31.36258 0.89554 1.71921 -31.31346 438.59572
9605.0000 -32.30968 -31.61060 0.69907 1.68557 -31.50889 390.35000
9610.0000 -32.43975 -32.04242 0.39734 1.65972 -31.65906 348.84360
9615.0000 -32.62502 -32.23854 0.38648 1.57959 -32.12452 246.60195
9620.0000 -32.59439 -32.19284 0.40155 1.56576 -32.20484 217.67424
9625.0000 -32.27540 -31.73549 0.53992 1.60047 -32.00322 276.28981
9630.0000 -32.37359 -31.87433 0.49926 1.64074 -31.76927 340.11310
9635.0000 -32.35469 -31.65771 0.69699 1.63390 -31.80905 323.06385
9640.0000 -32.23107 -31.64799 0.58308 1.66996 -31.59954 354.85985
9645.0000 -32.47121 -31.98049 0.49071 1.62441 -31.86413 316.71591
9650.0000 -32.54750 -32.02502 0.52248 1.59939 -32.00947 279.10688
9655.0000 -32.33264 -31.85475 0.47789 1.61765 -31.90341 325.44868
9660.0000 -32.17123 -31.68802 0.48321 1.62404 -31.86628 302.65697
9665.0000 -32.54242 -31.76396 0.77846 1.66950 -31.60223 360.08912
9670.0000 -32.17739 -31.27343 0.90396 1.69090 -31.47795 393.42829
9675.0000 -32.14144 -31.30569 0.83575 1.75219 -31.12192 481.16763
9680.0000 -32.37912 -31.77159 0.60753 1.70204 -31.41319 411.45503
9685.0000 -32.32009 -31.63139 0.68870 1.65418 -31.69120 341.48745
9690.0000 -32.43042 -31.82046 0.60996 1.64388 -31.75103 341.71975
9695.0000 -32.47728 -31.90607 0.57120 1.64643 -31.73626 341.39100
9700.0000 -32.50910 -31.87930 0.62981 1.61258 -31.93288 292.52277
9705.0000 -32.35925 -31.98417 0.37508 1.63242 -31.81764 316.03103
9710.0000 -32.22848 -31.64233 0.58616 1.64697 -31.73309 328.01197
9715.0000 -32.26051 -31.68315 0.57735 1.64725 -31.73147 353.85161
9720.0000 -32.40280 -31.80090 0.60190 1.63448 -31.80565 321.54175
9725.0000 -32.25671 -31.69499 0.56172 1.65303 -31.69790 350.73207
9730.0000 -32.47586 -31.96591 0.50995 1.63755 -31.78784 337.61297
9735.0000 -32.52537 -31.93406 0.59132 1.60280 -31.98970 268.67421
9740.0000 -32.28391 -31.88160 0.40230 1.61418 -31.92357 297.86225
9745.0000 -32.31552 -31.79293 0.52259 1.61479 -31.92005 297.15874
9750.0000 -32.27424 -31.72006 0.55417 1.62832 -31.84141 310.36393
FREEZING PROCESS: loop number 40 T-loop= 322.00000000000000
main_MD> interactions number 40 at Temperature= 322.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23938 2.56253 -0.34569
force_rgl> df(natom) -4.55414 1.60816 -6.89497
9755.0000 -32.33625 -31.61795 0.71829 1.65733 -31.67293 355.18161
9760.0000 -32.58916 -32.04350 0.54566 1.62911 -31.83687 312.22158
9765.0000 -32.51933 -32.12064 0.39870 1.59801 -32.01749 271.73628
9770.0000 -32.20967 -31.91888 0.29079 1.59341 -32.04422 259.70928
9775.0000 -32.44637 -31.97919 0.46718 1.61727 -31.90561 271.08174
9780.0000 -32.45233 -31.80184 0.65048 1.62357 -31.86906 313.09582
9785.0000 -32.42416 -31.88971 0.53445 1.63309 -31.81370 327.56131
9790.0000 -32.21441 -31.66943 0.54498 1.61186 -31.93705 278.06876
9795.0000 -32.45184 -31.75400 0.69784 1.63440 -31.80612 339.74264
9800.0000 -32.59785 -32.10013 0.49773 1.64100 -31.76781 354.09913
9805.0000 -32.23717 -31.61940 0.61777 1.62079 -31.88521 304.76041
9810.0000 -32.18379 -31.49979 0.68401 1.69036 -31.48107 427.79439
9815.0000 -32.46599 -31.75833 0.70766 1.66229 -31.64412 376.91680
9820.0000 -32.45072 -31.95070 0.50003 1.65101 -31.70965 346.64614
9825.0000 -32.40380 -31.85724 0.54656 1.61380 -31.92578 285.40860
9830.0000 -32.43752 -31.78900 0.64852 1.61783 -31.90237 301.08851
9835.0000 -32.40431 -31.76634 0.63797 1.63557 -31.79930 318.03250
9840.0000 -32.40599 -31.81432 0.59167 1.63136 -31.82379 323.26508
9845.0000 -32.45782 -31.93550 0.52232 1.61898 -31.89572 299.32082
9850.0000 -32.13119 -31.51508 0.61611 1.65120 -31.70852 352.60646
9855.0000 -32.31720 -31.52473 0.79247 1.70014 -31.42428 413.82037
9860.0000 -32.36435 -31.63313 0.73122 1.67344 -31.57933 374.60048
9865.0000 -32.28367 -31.51918 0.76449 1.65182 -31.70493 375.93661
9870.0000 -32.18754 -31.57057 0.61698 1.65322 -31.69681 347.95322
9875.0000 -32.54453 -31.88026 0.66427 1.63424 -31.80706 323.83738
9880.0000 -32.45064 -31.81306 0.63758 1.61139 -31.93979 309.57297
9885.0000 -32.29252 -31.70508 0.58743 1.62716 -31.84817 334.01531
9890.0000 -32.46383 -31.87078 0.59305 1.63470 -31.80439 312.23148
9895.0000 -32.57119 -31.88701 0.68418 1.61757 -31.90387 296.89593
9900.0000 -32.42732 -31.87209 0.55524 1.59311 -32.04595 276.50248
9905.0000 -32.16981 -31.46165 0.70816 1.64239 -31.75973 340.36966
9910.0000 -32.04921 -31.48312 0.56609 1.71889 -31.31534 451.42636
9915.0000 -32.39873 -31.72248 0.67624 1.65309 -31.69755 335.79647
9920.0000 -32.31658 -31.79095 0.52563 1.64382 -31.75142 315.43752
9925.0000 -32.33086 -31.77481 0.55605 1.65042 -31.71306 342.10986
9930.0000 -32.50906 -31.75530 0.75377 1.64954 -31.71820 338.05390
9935.0000 -32.37153 -31.80339 0.56814 1.65287 -31.69885 359.03018
9940.0000 -32.29910 -31.64093 0.65816 1.66485 -31.62927 359.06090
9945.0000 -32.50991 -31.95034 0.55957 1.64535 -31.74253 348.26440
9950.0000 -32.41657 -31.82113 0.59544 1.61950 -31.89267 311.49441
9955.0000 -32.49466 -31.90868 0.58598 1.65226 -31.70235 352.98423
9960.0000 -32.19063 -31.73834 0.45228 1.63368 -31.81028 317.40598
9965.0000 -32.28550 -31.82955 0.45595 1.62320 -31.87119 285.35042
9970.0000 -32.25862 -31.46081 0.79781 1.68235 -31.52761 392.99258
9975.0000 -32.53065 -31.64091 0.88975 1.66618 -31.62155 381.93915
9980.0000 -32.34395 -31.88474 0.45920 1.65715 -31.67397 362.90767
9985.0000 -32.52417 -31.91467 0.60951 1.61914 -31.89477 308.44427
9990.0000 -32.32641 -31.62725 0.69915 1.64986 -31.71633 355.48296
9995.0000 -32.33346 -31.87229 0.46117 1.62034 -31.88779 314.46379
10000.0000 -32.41126 -31.72176 0.68950 1.63364 -31.81053 301.99415
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 45.0332511 [s].
main_MD> Deallocating global variables
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