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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_62/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_62.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 = 62 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 62 6200
main_MD> Size of nv and nvoiz: 62 6200
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 = 62
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> 0.17042904027271763 2.9785399735109810E-002 -9.9893626531174201E-002 initial drift of cluster / NP1 for coalescence
init> 0.31251584003103133 0.33230843709418267 0.26533441683285325 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7393232834142410E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03849 -0.41550 -1.22577
force_rgl> df(natom) -2.12861 -1.36257 -0.39692
preparo> THERMALIZATION PROCESS AT 1211.1499404355238
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -132.36574610623245 10.645628261289318 -143.01137436752177 6.8938223729378130E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
FREEZING PROCESS: loop number 1 T-loop= 1188.0000000000000
main_MD> interactions number 1 at Temperature= 1188.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66921 -0.82019 -0.39005
force_rgl> df(natom) 1.01002 -0.10427 0.73273
5.0000 -142.96519 -133.63657 9.32863 3.20171 -132.74554 1286.58801
10.0000 -143.31644 -134.98959 8.32685 3.02274 -135.54903 1167.66607
15.0000 -144.47867 -134.05620 10.42247 3.14885 -133.57350 1295.40568
20.0000 -145.62672 -134.76562 10.86111 3.14851 -133.57891 1276.42184
25.0000 -145.72060 -136.46738 9.25322 2.96988 -136.37703 1127.32964
30.0000 -145.35140 -136.96802 8.38338 2.96542 -136.44692 1144.68888
35.0000 -144.37877 -135.66541 8.71336 2.98753 -136.10060 1152.91287
40.0000 -142.84921 -132.62988 10.21933 3.11773 -134.06111 1227.44875
45.0000 -141.91002 -132.32111 9.58891 3.24565 -132.05725 1356.09528
50.0000 -144.17855 -132.88000 11.29856 3.11980 -134.02868 1278.48792
55.0000 -145.35477 -133.37094 11.98384 3.14531 -133.62899 1284.91731
60.0000 -142.32535 -131.11516 11.21019 3.30337 -131.15303 1366.97131
65.0000 -144.09231 -133.07306 11.01926 3.17390 -133.18109 1318.17458
70.0000 -145.21097 -135.75518 9.45579 3.11542 -134.09722 1242.58961
75.0000 -146.12885 -138.33353 7.79531 2.96669 -136.42707 1151.69301
80.0000 -145.63054 -137.53271 8.09783 2.90678 -137.36557 1098.66313
85.0000 -145.80964 -136.08562 9.72402 2.92118 -137.13999 1082.42616
90.0000 -144.97621 -133.03848 11.93774 3.11567 -134.09328 1233.88983
95.0000 -145.03481 -135.43558 9.59923 3.16495 -133.32135 1307.35725
100.0000 -145.33942 -135.54702 9.79240 2.98958 -136.06843 1175.56113
105.0000 -143.68431 -133.99877 9.68555 3.11369 -134.12433 1269.44502
110.0000 -143.85624 -134.18162 9.67462 3.06784 -134.84265 1212.40373
115.0000 -144.89516 -134.24108 10.65408 3.16897 -133.25835 1275.14057
120.0000 -144.41807 -135.12019 9.29787 3.11990 -134.02706 1241.14226
125.0000 -146.49154 -136.08092 10.41063 3.03222 -135.40056 1204.23748
130.0000 -145.75124 -135.25784 10.49340 3.00421 -135.83931 1220.39226
135.0000 -145.65339 -137.85036 7.80303 2.99242 -136.02403 1180.29707
140.0000 -144.10932 -135.88044 8.22887 2.94379 -136.78585 1125.00404
145.0000 -144.82265 -137.11217 7.71048 2.90255 -137.43181 1091.61509
150.0000 -146.90292 -137.48261 9.42031 2.87881 -137.80365 1115.98679
155.0000 -144.68350 -133.46610 11.21740 2.98124 -136.19922 1172.59494
160.0000 -143.69965 -134.89172 8.80794 3.15414 -133.49069 1272.88767
165.0000 -143.66071 -132.89315 10.76755 3.12640 -133.92521 1212.91269
170.0000 -143.92369 -133.35801 10.56567 3.21134 -132.59464 1348.07515
175.0000 -144.73376 -134.65074 10.08302 3.13046 -133.86161 1262.95397
180.0000 -144.97176 -136.48108 8.49068 2.99642 -135.96130 1165.52663
185.0000 -146.23213 -136.86217 9.36996 2.93679 -136.89553 1142.33090
190.0000 -144.52141 -135.64330 8.87812 2.98358 -136.16245 1147.87196
195.0000 -146.18399 -136.89992 9.28407 2.95151 -136.66482 1128.56352
200.0000 -146.09669 -135.87789 10.21880 3.00326 -135.85419 1190.25658
205.0000 -144.62658 -134.94048 9.68611 3.06482 -134.88993 1219.30007
210.0000 -145.13929 -133.28835 11.85094 3.10083 -134.32584 1238.42946
215.0000 -145.01134 -134.59241 10.41893 3.06864 -134.83010 1237.22838
220.0000 -145.98506 -136.02534 9.95973 3.06605 -134.87063 1240.57460
225.0000 -145.42850 -136.39590 9.03259 2.96741 -136.41574 1093.74525
230.0000 -145.61361 -136.28534 9.32827 2.95346 -136.63434 1152.06532
235.0000 -144.31157 -134.15483 10.15674 3.00327 -135.85409 1198.88916
240.0000 -144.68511 -135.72759 8.95752 3.06262 -134.92438 1207.79411
245.0000 -144.86323 -135.83475 9.02848 3.00250 -135.86616 1129.05943
250.0000 -144.76995 -135.59823 9.17172 3.01469 -135.67516 1137.84891
FREEZING PROCESS: loop number 2 T-loop= 1163.0000000000000
main_MD> interactions number 2 at Temperature= 1163.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.11732 2.76676 -1.97525
force_rgl> df(natom) -2.53459 -0.66997 -1.06002
255.0000 -146.25140 -137.66284 8.58855 3.02046 -135.58479 1188.28591
260.0000 -146.31842 -137.55973 8.75869 2.93958 -136.85181 1141.44893
265.0000 -146.53290 -136.79524 9.73766 2.87448 -137.87159 1109.12329
270.0000 -145.16925 -135.83115 9.33809 2.96971 -136.37978 1157.09237
275.0000 -147.14433 -137.56736 9.57697 2.94191 -136.81525 1123.47869
280.0000 -144.36719 -135.25032 9.11687 2.96966 -136.38058 1143.75274
285.0000 -145.52387 -135.81984 9.70403 3.00706 -135.79466 1185.20963
290.0000 -145.95087 -136.70391 9.24696 3.00246 -135.86678 1121.81208
295.0000 -145.62986 -137.22893 8.40093 2.95502 -136.60993 1129.42612
300.0000 -144.62556 -136.91306 7.71250 2.93446 -136.93198 1121.59226
305.0000 -146.79637 -138.66716 8.12921 2.94073 -136.83382 1151.57924
310.0000 -145.22604 -132.95734 12.26870 2.96616 -136.43540 1151.12295
315.0000 -145.27946 -135.98498 9.29448 3.09615 -134.39910 1195.09499
320.0000 -146.04089 -137.88015 8.16074 2.92547 -137.07286 1089.97636
325.0000 -145.84861 -135.60088 10.24773 2.98109 -136.20144 1184.16042
330.0000 -144.79537 -134.60388 10.19150 2.97340 -136.32195 1139.70128
335.0000 -145.15535 -135.92654 9.22881 3.06662 -134.86169 1228.31327
340.0000 -146.48281 -136.23884 10.24398 2.98408 -136.15463 1157.97283
345.0000 -148.11168 -137.89826 10.21342 2.92160 -137.13336 1105.61310
350.0000 -145.72288 -136.91320 8.80968 2.84737 -138.29624 1040.52363
355.0000 -145.25948 -133.97258 11.28690 3.04827 -135.14921 1242.33229
360.0000 -145.98923 -136.98823 9.00099 3.03499 -135.35717 1209.81232
365.0000 -147.40633 -139.03652 8.36982 2.86327 -138.04710 1079.32655
370.0000 -147.66472 -138.77358 8.89114 2.80676 -138.93235 1004.30702
375.0000 -145.41497 -135.04493 10.37005 2.92053 -137.15017 1122.20065
380.0000 -145.56117 -136.69579 8.86539 3.02114 -135.57408 1192.80358
385.0000 -143.24591 -135.27070 7.97521 2.99913 -135.91884 1178.97667
390.0000 -145.23322 -137.24760 7.98561 3.05010 -135.12041 1201.17069
395.0000 -143.68749 -134.42477 9.26271 2.98955 -136.06898 1137.42427
400.0000 -145.14134 -134.82701 10.31433 3.12652 -133.92332 1240.01534
405.0000 -147.71585 -139.80058 7.91527 2.95770 -136.56786 1159.04379
410.0000 -145.38510 -135.13900 10.24610 2.94258 -136.80471 1142.62825
415.0000 -145.52953 -136.06726 9.46227 3.02655 -135.48933 1172.13234
420.0000 -147.54157 -139.28879 8.25278 2.87411 -137.87739 1053.41730
425.0000 -146.52577 -137.98081 8.54497 2.90029 -137.46725 1106.57348
430.0000 -145.66362 -136.00879 9.65483 2.95469 -136.61513 1152.66382
435.0000 -142.15070 -131.88157 10.26913 3.10205 -134.30660 1243.31472
440.0000 -144.54868 -134.53363 10.01504 3.14454 -133.64111 1266.95085
445.0000 -144.46170 -134.99024 9.47146 3.05268 -135.08009 1193.28211
450.0000 -145.09406 -136.82397 8.27009 3.01227 -135.71312 1147.76727
455.0000 -145.40068 -136.04485 9.35583 2.99859 -135.92741 1143.21335
460.0000 -146.77531 -137.19474 9.58056 2.98768 -136.09827 1165.00233
465.0000 -145.21359 -137.60584 7.60775 2.93219 -136.96748 1130.65519
470.0000 -143.00050 -134.00237 8.99813 3.00816 -135.77748 1181.48974
475.0000 -145.38042 -136.14252 9.23790 3.01560 -135.66091 1166.99106
480.0000 -144.28457 -134.47784 9.80672 3.08639 -134.55196 1196.62520
485.0000 -146.26405 -133.78356 12.48050 3.05801 -134.99650 1231.06240
490.0000 -144.99238 -135.06536 9.92702 3.10927 -134.19364 1237.33877
495.0000 -144.84363 -137.61316 7.23048 2.94971 -136.69311 1115.30722
500.0000 -143.02341 -133.89773 9.12568 3.02646 -135.49084 1182.84457
FREEZING PROCESS: loop number 3 T-loop= 1138.0000000000000
main_MD> interactions number 3 at Temperature= 1138.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.26025 -3.04571 1.26990
force_rgl> df(natom) 1.34293 -2.39479 -1.51077
505.0000 -145.21258 -138.11515 7.09743 2.99465 -135.98914 1157.85729
510.0000 -146.62307 -137.32850 9.29458 2.85138 -138.23346 1061.29076
515.0000 -146.66235 -136.94757 9.71478 3.01315 -135.69925 1147.91557
520.0000 -144.37528 -135.34655 9.02873 3.05010 -135.12049 1212.91429
525.0000 -143.87327 -134.49449 9.37879 3.11678 -134.07587 1209.31096
530.0000 -145.23798 -136.77440 8.46358 3.01729 -135.63448 1178.60236
535.0000 -145.36579 -135.93568 9.43011 2.96054 -136.52342 1094.65540
540.0000 -145.88629 -138.23540 7.65089 2.93800 -136.87650 1137.30673
545.0000 -146.24626 -138.06316 8.18310 2.96241 -136.49412 1112.45861
550.0000 -145.28957 -136.49163 8.79794 2.89491 -137.55145 1074.50000
555.0000 -145.70240 -135.64862 10.05378 3.00493 -135.82803 1189.07123
560.0000 -145.20865 -136.16172 9.04694 2.96832 -136.40149 1171.27458
565.0000 -144.44879 -135.68909 8.75970 2.99797 -135.93708 1207.22549
570.0000 -146.01219 -137.14680 8.86540 2.93641 -136.90149 1106.47022
575.0000 -145.82405 -136.69704 9.12701 2.94755 -136.72689 1130.22235
580.0000 -146.56316 -138.52899 8.03418 2.82023 -138.72140 1052.83359
585.0000 -147.32962 -138.67322 8.65640 2.85600 -138.16100 1052.64086
590.0000 -145.78812 -136.95338 8.83474 2.87805 -137.81566 1074.41307
595.0000 -145.90663 -136.29617 9.61045 2.94498 -136.76715 1153.01173
600.0000 -143.46306 -133.48047 9.98258 3.10691 -134.23050 1254.90018
605.0000 -144.56453 -134.26441 10.30012 3.13035 -133.86330 1277.04958
610.0000 -144.58275 -135.20560 9.37715 3.04533 -135.19522 1242.36507
615.0000 -144.10478 -134.23469 9.87009 3.06542 -134.88042 1202.06453
620.0000 -143.99695 -135.47335 8.52360 3.04485 -135.20265 1195.93275
625.0000 -145.57912 -136.25531 9.32381 3.04010 -135.27713 1206.03685
630.0000 -147.84320 -139.30194 8.54126 2.84927 -138.26645 1073.27104
635.0000 -146.39859 -137.82274 8.57585 2.84066 -138.40132 1070.83908
640.0000 -146.98645 -138.05590 8.93055 2.87279 -137.89795 1097.52897
645.0000 -144.97958 -135.55796 9.42162 2.90010 -137.47024 1120.93626
650.0000 -146.27735 -136.75274 9.52461 2.96225 -136.49657 1153.91897
655.0000 -147.41583 -137.10093 10.31489 2.92616 -137.06196 1102.70725
660.0000 -146.73068 -136.94976 9.78093 2.88255 -137.74510 1109.35274
665.0000 -146.55316 -137.26677 9.28639 2.92273 -137.11566 1137.55174
670.0000 -145.62531 -135.50286 10.12245 2.97537 -136.29116 1132.10550
675.0000 -145.06090 -136.62540 8.43550 2.96999 -136.37534 1166.14134
680.0000 -145.50808 -137.12663 8.38145 2.90809 -137.34498 1121.04461
685.0000 -146.57955 -134.47474 12.10481 2.97140 -136.35333 1145.29672
690.0000 -146.43696 -136.60903 9.82792 3.04223 -135.24376 1174.24365
695.0000 -146.94314 -138.66785 8.27529 2.97587 -136.28333 1183.67254
700.0000 -146.84963 -139.29012 7.55952 2.87084 -137.92851 1058.88826
705.0000 -144.10518 -134.55755 9.54763 2.92449 -137.08811 1136.83936
710.0000 -145.08285 -134.62385 10.45899 3.14788 -133.58877 1295.03067
715.0000 -146.40263 -137.02105 9.38158 3.01708 -135.63771 1207.91674
720.0000 -146.52715 -138.66120 7.86595 2.86705 -137.98790 1066.71119
725.0000 -145.07810 -137.14876 7.92934 2.86973 -137.94598 1085.03359
730.0000 -146.44505 -136.22287 10.22218 2.95048 -136.68095 1116.31545
735.0000 -145.39390 -136.65029 8.74361 2.95002 -136.68829 1117.23369
740.0000 -146.86210 -137.58693 9.27516 2.90112 -137.45419 1132.33410
745.0000 -145.29566 -136.03618 9.25949 2.90502 -137.39314 1088.93961
750.0000 -146.18081 -135.68716 10.49365 2.95897 -136.54801 1167.13738
FREEZING PROCESS: loop number 4 T-loop= 1113.0000000000000
main_MD> interactions number 4 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57195 -0.75819 1.08535
force_rgl> df(natom) 0.60320 -1.18997 3.52323
755.0000 -145.38040 -135.74030 9.64010 3.04152 -135.25486 1209.34860
760.0000 -145.64337 -136.51147 9.13190 2.95621 -136.59131 1133.99851
765.0000 -144.35065 -135.55058 8.80006 3.01962 -135.59794 1148.80241
770.0000 -145.49704 -137.57657 7.92047 2.97113 -136.35746 1166.69903
775.0000 -146.60050 -138.00756 8.59294 2.85184 -138.22622 1062.15883
780.0000 -145.71065 -136.73451 8.97614 2.95730 -136.57417 1132.42275
785.0000 -146.37544 -135.41835 10.95709 2.98719 -136.10590 1132.77244
790.0000 -147.97357 -138.65380 9.31977 2.89079 -137.61602 1097.34630
795.0000 -144.42274 -135.93701 8.48573 2.95998 -136.53216 1145.41262
800.0000 -146.64427 -137.57167 9.07260 2.96569 -136.44271 1147.61103
805.0000 -147.89871 -138.07455 9.82416 2.85383 -138.19502 1086.67799
810.0000 -143.59164 -135.29464 8.29699 2.98405 -136.15519 1186.68280
815.0000 -146.00579 -137.09987 8.90592 2.93655 -136.89920 1113.01552
820.0000 -145.58312 -136.89969 8.68343 2.93823 -136.87293 1097.21797
825.0000 -146.92749 -138.95046 7.97703 2.90518 -137.39069 1125.55925
830.0000 -146.17845 -138.41039 7.76805 2.88216 -137.75128 1087.94536
835.0000 -146.52781 -137.32919 9.19861 2.88046 -137.77792 1078.10217
840.0000 -146.78723 -137.17604 9.61119 2.90157 -137.44711 1081.04047
845.0000 -145.75185 -134.01819 11.73366 2.99612 -135.96613 1164.68054
850.0000 -143.15462 -136.53542 6.61920 3.00167 -135.87915 1140.40906
855.0000 -145.52565 -136.15631 9.36935 2.93696 -136.89282 1091.88533
860.0000 -145.65466 -137.22314 8.43152 2.99630 -135.96319 1172.03766
865.0000 -144.72892 -135.29167 9.43725 3.00026 -135.90120 1171.86696
870.0000 -146.53743 -137.82406 8.71337 3.02829 -135.46206 1160.57527
875.0000 -146.10205 -136.33630 9.76575 2.94895 -136.70500 1127.22055
880.0000 -146.97349 -138.94461 8.02888 2.88912 -137.64214 1084.51822
885.0000 -148.60884 -139.66494 8.94389 2.76266 -139.62325 1039.74742
890.0000 -144.12220 -135.10957 9.01263 2.87462 -137.86942 1094.91954
895.0000 -146.12698 -137.68484 8.44214 2.93760 -136.88274 1122.15431
900.0000 -146.11731 -138.23351 7.88380 2.83464 -138.49557 1097.48408
905.0000 -147.87079 -139.14693 8.72386 2.86075 -138.08667 1074.76677
910.0000 -146.43045 -135.90287 10.52758 2.86614 -138.00225 1100.21270
915.0000 -144.32151 -133.38138 10.94013 3.03093 -135.42077 1194.50284
920.0000 -145.21807 -136.06173 9.15634 2.98066 -136.20823 1119.19842
925.0000 -145.04841 -137.31492 7.73349 2.96137 -136.51046 1131.30654
930.0000 -144.58954 -134.95702 9.63252 2.98698 -136.10919 1172.92492
935.0000 -145.78420 -137.43429 8.34991 2.96515 -136.45122 1139.31106
940.0000 -145.89173 -137.30159 8.59014 2.88307 -137.73694 1074.28280
945.0000 -144.46694 -135.34261 9.12433 2.98245 -136.18020 1140.52871
950.0000 -143.31812 -134.72212 8.59600 3.08060 -134.64270 1198.99874
955.0000 -144.85165 -133.49691 11.35474 3.06247 -134.92662 1200.94133
960.0000 -145.38355 -135.28354 10.10001 3.11696 -134.07307 1268.61032
965.0000 -145.60094 -134.99662 10.60432 2.96926 -136.38689 1180.73756
970.0000 -146.62279 -136.90682 9.71597 3.00002 -135.90500 1215.63508
975.0000 -147.39024 -138.13574 9.25450 2.91114 -137.29719 1132.01902
980.0000 -146.89125 -138.20113 8.69012 2.88252 -137.74556 1103.30552
985.0000 -146.54036 -138.10596 8.43440 2.84810 -138.28471 1065.78628
990.0000 -145.63026 -137.51406 8.11620 2.93014 -136.99957 1131.15212
995.0000 -144.30460 -134.49105 9.81355 2.99288 -136.01679 1152.49368
1000.0000 -143.91023 -134.79862 9.11161 3.09462 -134.42312 1266.01516
FREEZING PROCESS: loop number 5 T-loop= 1088.0000000000000
main_MD> interactions number 5 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.59648 2.97054 -2.78828
force_rgl> df(natom) 0.53075 -2.55268 -0.76120
1005.0000 -145.44410 -135.34725 10.09685 3.05746 -135.00513 1230.39346
1010.0000 -143.71902 -134.60665 9.11237 3.02732 -135.47727 1213.29308
1015.0000 -144.97409 -135.66322 9.31087 2.97592 -136.28246 1139.28880
1020.0000 -146.48915 -137.32635 9.16280 2.94787 -136.72197 1168.94917
1025.0000 -145.03921 -136.29579 8.74342 2.90261 -137.43095 1095.17922
1030.0000 -147.98815 -139.46829 8.51986 2.80365 -138.98115 1010.53349
1035.0000 -146.26452 -137.08974 9.17477 2.84280 -138.36777 1033.25622
1040.0000 -146.74393 -136.81813 9.92580 2.97423 -136.30898 1178.82279
1045.0000 -146.78496 -137.71403 9.07093 2.93443 -136.93243 1144.73722
1050.0000 -144.70543 -135.74786 8.95756 2.97133 -136.35443 1136.98583
1055.0000 -144.14455 -134.62660 9.51795 3.06324 -134.91459 1215.17541
1060.0000 -145.46474 -137.25595 8.20878 3.02539 -135.50752 1205.79496
1065.0000 -145.98305 -136.68193 9.30112 2.98432 -136.15092 1178.12798
1070.0000 -144.48341 -135.15305 9.33036 3.02651 -135.49007 1185.15488
1075.0000 -144.66380 -137.18752 7.47628 3.01955 -135.59902 1130.00373
1080.0000 -146.69197 -138.27053 8.42144 2.86777 -137.97660 1064.64983
1085.0000 -144.87045 -135.51857 9.35188 2.97478 -136.30031 1137.79220
1090.0000 -145.89944 -137.51181 8.38763 2.96149 -136.50858 1117.02451
1095.0000 -146.26360 -136.55490 9.70870 3.00932 -135.75923 1172.08863
1100.0000 -145.33984 -136.78525 8.55458 2.95947 -136.54022 1152.97698
1105.0000 -145.37693 -136.18986 9.18707 2.94870 -136.70895 1130.04995
1110.0000 -146.45568 -138.72603 7.72965 2.87417 -137.87646 1068.71642
1115.0000 -146.73133 -138.83690 7.89443 2.76077 -139.65274 1018.36014
1120.0000 -146.52713 -137.93258 8.59455 2.88048 -137.77759 1061.85352
1125.0000 -147.00164 -138.84267 8.15897 2.82986 -138.57049 1018.56827
1130.0000 -144.28563 -136.11674 8.16889 2.99594 -135.96891 1166.31140
1135.0000 -145.22316 -136.69985 8.52331 2.94351 -136.79021 1103.60425
1140.0000 -146.87084 -138.79013 8.08071 2.90321 -137.42142 1097.04764
1145.0000 -148.00372 -139.24932 8.75440 2.83080 -138.55583 1036.23952
1150.0000 -148.10991 -139.13353 8.97637 2.74690 -139.86999 958.94555
1155.0000 -147.14338 -138.95142 8.19196 2.81648 -138.78013 989.30651
1160.0000 -146.60942 -137.54743 9.06199 2.86128 -138.07834 1069.85195
1165.0000 -147.10508 -138.35047 8.75460 2.88154 -137.76100 1056.97715
1170.0000 -145.52098 -137.71041 7.81057 2.88893 -137.64524 1105.40442
1175.0000 -146.42073 -137.88718 8.53355 2.92569 -137.06930 1074.15851
1180.0000 -146.76327 -137.99041 8.77286 2.85749 -138.13772 1058.72278
1185.0000 -145.78749 -137.11224 8.67525 2.93245 -136.96346 1095.39693
1190.0000 -147.12551 -138.92400 8.20151 2.91771 -137.19432 1105.25944
1195.0000 -146.32147 -136.43006 9.89141 2.87492 -137.86464 1079.86507
1200.0000 -146.27038 -139.08844 7.18193 2.83139 -138.54657 1042.19979
1205.0000 -146.93548 -138.24370 8.69178 2.90182 -137.44333 1067.66528
1210.0000 -146.06641 -138.30658 7.75983 2.80953 -138.88897 1051.35968
1215.0000 -145.02449 -136.32355 8.70094 2.90469 -137.39833 1054.17228
1220.0000 -145.74974 -137.75675 7.99299 2.96398 -136.46959 1134.26264
1225.0000 -146.08429 -136.79893 9.28536 2.89250 -137.58928 1087.75536
1230.0000 -144.74081 -136.04006 8.70075 2.99555 -135.97501 1159.95003
1235.0000 -147.22240 -138.56423 8.65817 2.91705 -137.20469 1082.39403
1240.0000 -145.57062 -135.92462 9.64600 2.83393 -138.50672 1048.74391
1245.0000 -145.90035 -137.72506 8.17529 2.89594 -137.53532 1098.11815
1250.0000 -145.92910 -138.10687 7.82223 2.90155 -137.44754 1094.92197
FREEZING PROCESS: loop number 6 T-loop= 1063.0000000000000
main_MD> interactions number 6 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.00852 0.30444 -0.02473
force_rgl> df(natom) 0.69072 0.78323 -0.67710
1255.0000 -145.99132 -137.67717 8.31415 2.90158 -137.44697 1097.80915
1260.0000 -147.88695 -139.23781 8.64914 2.83843 -138.43629 1025.93770
1265.0000 -149.64642 -140.72167 8.92474 2.76979 -139.51155 1040.66412
1270.0000 -148.61807 -139.22840 9.38967 2.77181 -139.47985 1030.66442
1275.0000 -147.75546 -140.61269 7.14277 2.71092 -140.43374 947.83978
1280.0000 -147.31421 -139.89248 7.42173 2.70302 -140.55746 962.64095
1285.0000 -146.48670 -137.50856 8.97814 2.81379 -138.82230 1014.60219
1290.0000 -145.64062 -137.60068 8.03993 2.93009 -137.00037 1111.07121
1295.0000 -145.84018 -138.75059 7.08959 2.89525 -137.54622 1033.50210
1300.0000 -147.86326 -139.60673 8.25654 2.77110 -139.49102 1026.74746
1305.0000 -147.00627 -140.20514 6.80112 2.71368 -140.39048 989.69092
1310.0000 -147.83001 -140.60221 7.22780 2.74214 -139.94466 985.29959
1315.0000 -146.43406 -139.14785 7.28621 2.74332 -139.92609 1004.40050
1320.0000 -146.75686 -139.54393 7.21293 2.75021 -139.81819 997.44147
1325.0000 -148.28574 -139.37120 8.91454 2.74177 -139.95048 987.53422
1330.0000 -146.30601 -138.08531 8.22070 2.85086 -138.24152 1057.18866
1335.0000 -146.58635 -136.50291 10.08344 2.93661 -136.89832 1136.85593
1340.0000 -144.46413 -136.33438 8.12975 2.91813 -137.18778 1127.09856
1345.0000 -146.81383 -137.32491 9.48892 2.94877 -136.70774 1112.13698
1350.0000 -146.01429 -136.74073 9.27357 2.96801 -136.40639 1151.62602
1355.0000 -146.75048 -137.61630 9.13418 2.97648 -136.27366 1135.35113
1360.0000 -146.15136 -136.43538 9.71598 2.95504 -136.60965 1128.51471
1365.0000 -146.10164 -135.48799 10.61365 2.94678 -136.73891 1173.92108
1370.0000 -145.53752 -138.06084 7.47667 2.87595 -137.84844 1100.67071
1375.0000 -147.38355 -138.12280 9.26074 2.84316 -138.36224 1042.04952
1380.0000 -149.80064 -142.32452 7.47612 2.68141 -140.89591 969.94834
1385.0000 -146.74139 -137.13371 9.60768 2.70886 -140.46596 964.87414
1390.0000 -144.38674 -136.89053 7.49621 2.95127 -136.66864 1169.04305
1395.0000 -146.91889 -137.79952 9.11937 2.93893 -136.86197 1149.58246
1400.0000 -148.29316 -138.68229 9.61087 2.78224 -139.31645 1055.94495
1405.0000 -146.90970 -138.38952 8.52018 2.81339 -138.82848 1051.24941
1410.0000 -146.34204 -137.18717 9.15487 2.85565 -138.16647 1072.09130
1415.0000 -147.28420 -138.52623 8.75797 2.91077 -137.30302 1105.40214
1420.0000 -148.18359 -140.60997 7.57362 2.81302 -138.83429 1027.09959
1425.0000 -145.90582 -137.05962 8.84620 2.81404 -138.81840 1025.38468
1430.0000 -148.00579 -137.77972 10.22607 2.85229 -138.21911 1050.94310
1435.0000 -147.88585 -138.85199 9.03386 2.84145 -138.38903 1080.00036
1440.0000 -146.89018 -138.20618 8.68400 2.81429 -138.81444 1026.10884
1445.0000 -147.48044 -138.99588 8.48456 2.86940 -137.95111 1072.01975
1450.0000 -148.02999 -138.84889 9.18111 2.81958 -138.73159 999.43928
1455.0000 -146.23515 -136.53372 9.70143 2.91137 -137.29360 1149.30100
1460.0000 -145.20051 -137.50889 7.69162 2.95960 -136.53816 1130.19540
1465.0000 -147.23887 -137.65789 9.58098 2.79390 -139.13376 1019.31647
1470.0000 -147.43834 -137.92970 9.50864 2.89184 -137.59961 1103.81146
1475.0000 -148.19820 -139.51733 8.68087 2.78625 -139.25366 1022.13785
1480.0000 -148.98447 -141.08439 7.90008 2.71341 -140.39471 945.04336
1485.0000 -148.96005 -140.29350 8.66655 2.65661 -141.28441 921.93334
1490.0000 -147.31066 -139.89274 7.41793 2.77187 -139.47891 998.18698
1495.0000 -147.93901 -140.40299 7.53603 2.71479 -140.37302 951.46842
1500.0000 -148.24176 -141.46123 6.78053 2.71268 -140.40614 984.86561
FREEZING PROCESS: loop number 7 T-loop= 1038.0000000000000
main_MD> interactions number 7 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.81243 0.47365 2.92516
force_rgl> df(natom) -0.58902 2.40365 0.25985
1505.0000 -147.92169 -139.31119 8.61050 2.72493 -140.21430 958.94335
1510.0000 -147.29868 -139.46198 7.83670 2.76956 -139.51508 1012.35197
1515.0000 -147.10921 -140.39340 6.71581 2.74729 -139.86393 993.21519
1520.0000 -148.08177 -140.93272 7.14905 2.68637 -140.81823 924.79942
1525.0000 -148.52262 -140.87026 7.65236 2.65292 -141.34229 973.03484
1530.0000 -148.73966 -141.32286 7.41680 2.68169 -140.89152 930.06824
1535.0000 -146.42990 -138.57472 7.85518 2.76515 -139.58417 998.53272
1540.0000 -146.97649 -138.86670 8.10978 2.81015 -138.87931 1028.39074
1545.0000 -149.50639 -142.96186 6.54454 2.75352 -139.76632 1009.52605
1550.0000 -147.80338 -140.37002 7.43336 2.63903 -141.55978 918.16159
1555.0000 -146.41462 -139.88768 6.52694 2.72870 -140.15513 980.71753
1560.0000 -147.19927 -139.12727 8.07200 2.77910 -139.36567 1019.10867
1565.0000 -150.18079 -141.77775 8.40304 2.71222 -140.41335 973.70199
1570.0000 -146.22253 -137.99459 8.22794 2.71359 -140.39194 967.07229
1575.0000 -148.11470 -139.40664 8.70807 2.87486 -137.86552 1083.25161
1580.0000 -147.19289 -137.23406 9.95883 2.84445 -138.34197 1085.36332
1585.0000 -148.87269 -140.35371 8.51898 2.77765 -139.38836 1011.48470
1590.0000 -148.43348 -140.14450 8.28898 2.72610 -140.19596 943.96861
1595.0000 -145.57342 -137.24651 8.32691 2.81040 -138.87541 1014.19718
1600.0000 -146.29771 -136.88820 9.40951 2.88231 -137.74892 1087.05618
1605.0000 -145.12170 -134.59536 10.52633 3.04541 -135.19394 1202.09091
1610.0000 -147.28457 -138.45100 8.83358 2.91344 -137.26120 1104.71470
1615.0000 -146.12571 -138.53922 7.58649 2.73909 -139.99247 970.63041
1620.0000 -147.03917 -138.25763 8.78155 2.85104 -138.23866 1088.01127
1625.0000 -147.04749 -139.63951 7.40798 2.80249 -138.99927 1007.54572
1630.0000 -149.56763 -142.20728 7.36036 2.71088 -140.43437 977.27397
1635.0000 -146.04178 -139.33219 6.70959 2.69889 -140.62207 981.09623
1640.0000 -146.46273 -138.19292 8.26981 2.75653 -139.71928 971.27610
1645.0000 -146.51221 -138.41018 8.10202 2.81667 -138.77706 1050.77057
1650.0000 -148.02291 -139.59515 8.42776 2.75800 -139.69613 1021.76895
1655.0000 -147.67924 -138.72224 8.95700 2.82661 -138.62139 1040.38884
1660.0000 -147.39293 -138.95479 8.43814 2.86020 -138.09521 1084.93418
1665.0000 -146.74403 -137.28709 9.45693 2.79263 -139.15365 1065.30866
1670.0000 -146.49034 -138.50166 7.98867 2.92605 -137.06363 1123.46936
1675.0000 -147.47790 -139.41436 8.06354 2.83521 -138.48669 1057.15787
1680.0000 -147.03778 -138.70944 8.32834 2.83125 -138.54869 1066.36569
1685.0000 -147.92736 -138.53836 9.38901 2.86355 -138.04271 1111.24185
1690.0000 -147.56930 -139.36215 8.20715 2.78540 -139.26690 1035.38398
1695.0000 -147.76616 -140.76503 7.00113 2.68285 -140.87335 922.62520
1700.0000 -146.28411 -137.95563 8.32848 2.77755 -139.38999 1026.92136
1705.0000 -148.41216 -140.42590 7.98626 2.78949 -139.20282 1026.78362
1710.0000 -147.76290 -139.09939 8.66351 2.72985 -140.13709 996.43449
1715.0000 -147.21713 -140.00442 7.21270 2.79170 -139.16824 1036.09342
1720.0000 -148.65387 -140.45998 8.19389 2.71778 -140.32627 988.88340
1725.0000 -147.41989 -139.90462 7.51526 2.74629 -139.87959 980.36808
1730.0000 -147.23022 -138.50695 8.72328 2.76073 -139.65344 978.90999
1735.0000 -147.84872 -139.32559 8.52314 2.79609 -139.09951 1026.96751
1740.0000 -147.53725 -139.46160 8.07565 2.79599 -139.10111 1032.13724
1745.0000 -146.59181 -137.22179 9.37002 2.84392 -138.35020 1064.65897
1750.0000 -147.19604 -139.51124 7.68480 2.85220 -138.22052 1080.45008
FREEZING PROCESS: loop number 8 T-loop= 1013.0000000000000
main_MD> interactions number 8 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00933 -1.94221 -0.77918
force_rgl> df(natom) 2.39405 -0.03364 0.68305
1755.0000 -147.53065 -139.72204 7.80861 2.79023 -139.19125 1027.12341
1760.0000 -147.98086 -138.66946 9.31140 2.76751 -139.54723 992.39739
1765.0000 -143.94789 -134.02441 9.92347 2.91995 -137.15922 1107.16636
1770.0000 -145.83915 -136.78480 9.05435 3.02381 -135.53225 1169.04395
1775.0000 -149.76225 -139.16485 10.59740 2.85885 -138.11643 1044.78840
1780.0000 -147.73461 -140.83609 6.89852 2.74803 -139.85239 1006.57920
1785.0000 -148.20069 -140.85256 7.34812 2.75571 -139.73201 1001.68822
1790.0000 -146.72061 -140.01269 6.70792 2.71643 -140.34739 955.58301
1795.0000 -147.85229 -139.65028 8.20201 2.81150 -138.85807 1053.41668
1800.0000 -147.09671 -139.21179 7.88492 2.76593 -139.57200 966.31930
1805.0000 -148.08457 -140.08092 8.00366 2.76164 -139.63913 997.44166
1810.0000 -146.60063 -137.79978 8.80085 2.82290 -138.67957 1040.73057
1815.0000 -147.86064 -140.36096 7.49968 2.85329 -138.20348 1051.55885
1820.0000 -149.29326 -141.99444 7.29881 2.64796 -141.42003 914.34296
1825.0000 -149.77366 -142.68528 7.08837 2.62643 -141.75722 898.01517
1830.0000 -149.10446 -142.89718 6.20728 2.54025 -143.10719 855.11111
1835.0000 -148.43924 -141.26262 7.17663 2.63341 -141.64789 914.89999
1840.0000 -147.43865 -138.83150 8.60715 2.75127 -139.80162 968.07891
1845.0000 -147.90450 -139.10267 8.80183 2.79147 -139.17190 1018.32569
1850.0000 -146.47432 -139.21462 7.25971 2.83885 -138.42966 1042.27174
1855.0000 -147.11063 -140.20808 6.90255 2.72076 -140.27962 982.95997
1860.0000 -146.01962 -139.29368 6.72594 2.77400 -139.44556 974.52720
1865.0000 -147.58546 -138.75063 8.83483 2.78796 -139.22691 1028.65658
1870.0000 -149.31284 -141.10603 8.20681 2.74203 -139.94636 999.19715
1875.0000 -148.07271 -139.51919 8.55353 2.76959 -139.51468 1016.60136
1880.0000 -146.89660 -140.65693 6.23967 2.71675 -140.34237 959.38297
1885.0000 -147.32416 -139.89463 7.42953 2.65425 -141.32147 911.53456
1890.0000 -148.04503 -140.26625 7.77878 2.72892 -140.15179 985.06302
1895.0000 -146.34206 -139.43251 6.90955 2.77378 -139.44899 998.55114
1900.0000 -147.03402 -139.02437 8.00965 2.83095 -138.55342 1061.59341
1905.0000 -148.29126 -139.91127 8.37999 2.83148 -138.54517 1053.06550
1910.0000 -147.97483 -141.17871 6.79612 2.67831 -140.94446 952.88403
1915.0000 -148.80130 -141.74327 7.05803 2.69979 -140.60800 959.15639
1920.0000 -146.13676 -139.10435 7.03242 2.71911 -140.30538 936.69512
1925.0000 -147.18688 -138.90318 8.28370 2.72701 -140.18171 991.35080
1930.0000 -147.93747 -138.70921 9.22825 2.81638 -138.78170 1062.81956
1935.0000 -147.80643 -139.83739 7.96904 2.78234 -139.31492 1026.29461
1940.0000 -148.42639 -140.19370 8.23269 2.71928 -140.30281 959.14501
1945.0000 -147.31341 -139.53033 7.78308 2.80292 -138.99247 1022.01405
1950.0000 -146.04010 -139.20027 6.83983 2.78905 -139.20974 1004.02319
1955.0000 -148.48601 -141.27748 7.20853 2.72544 -140.20624 975.55647
1960.0000 -146.64027 -140.13690 6.50337 2.74695 -139.86925 983.16607
1965.0000 -147.76085 -140.72335 7.03750 2.79262 -139.15381 1000.57085
1970.0000 -146.91044 -138.41457 8.49587 2.79902 -139.05364 1029.81140
1975.0000 -147.62408 -139.30594 8.31814 2.80290 -138.99285 1030.71165
1980.0000 -146.69309 -137.77468 8.91841 2.86120 -138.07959 1091.51953
1985.0000 -148.55608 -140.85874 7.69735 2.81118 -138.86311 1063.12356
1990.0000 -147.93752 -140.86417 7.07336 2.76329 -139.61339 1001.45481
1995.0000 -147.89365 -139.35214 8.54152 2.72603 -140.19707 958.26699
2000.0000 -147.39067 -140.77728 6.61339 2.71891 -140.30849 953.72908
FREEZING PROCESS: loop number 9 T-loop= 988.00000000000000
main_MD> interactions number 9 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16551 2.97814 -1.14450
force_rgl> df(natom) 2.26227 0.95794 -1.69139
2005.0000 -148.61448 -140.63434 7.98014 2.71743 -140.33170 983.77203
2010.0000 -147.25327 -138.13596 9.11730 2.69855 -140.62749 949.36690
2015.0000 -147.09338 -139.40044 7.69294 2.76949 -139.51618 1026.41166
2020.0000 -148.66436 -141.39335 7.27101 2.73150 -140.11129 986.25333
2025.0000 -147.80610 -139.74139 8.06471 2.77474 -139.43403 1020.33945
2030.0000 -147.41406 -139.66198 7.75208 2.76358 -139.60877 1012.42151
2035.0000 -148.10905 -139.73189 8.37716 2.78060 -139.34212 1003.56488
2040.0000 -148.96096 -140.46419 8.49677 2.69160 -140.73634 972.20801
2045.0000 -148.77891 -140.15103 8.62788 2.69115 -140.74345 933.29742
2050.0000 -148.06328 -140.36032 7.70296 2.72716 -140.17929 971.16583
2055.0000 -146.16620 -138.86828 7.29793 2.70506 -140.52551 962.95119
2060.0000 -148.05923 -139.05398 9.00525 2.77562 -139.42011 1011.59169
2065.0000 -148.91568 -140.20798 8.70770 2.82507 -138.64554 1049.06067
2070.0000 -147.10353 -139.94101 7.16252 2.68294 -140.87205 930.54428
2075.0000 -147.79616 -139.27528 8.52087 2.79333 -139.14272 1054.45216
2080.0000 -146.52807 -139.05846 7.46961 2.76496 -139.58722 1004.75531
2085.0000 -145.61206 -137.12325 8.48881 2.82328 -138.67366 1019.66488
2090.0000 -148.57438 -140.22473 8.34965 2.84403 -138.34857 1051.86859
2095.0000 -148.23435 -139.62303 8.61131 2.76191 -139.63493 985.62689
2100.0000 -146.11530 -139.64422 6.47108 2.73451 -140.06418 1000.93479
2105.0000 -148.45483 -142.19754 6.25729 2.65771 -141.26726 905.59194
2110.0000 -150.13915 -142.76560 7.37355 2.60811 -142.04428 867.22062
2115.0000 -146.56572 -138.06631 8.49942 2.71673 -140.34263 951.76579
2120.0000 -146.55089 -138.13758 8.41330 2.80740 -138.92239 1030.82454
2125.0000 -146.92426 -139.55000 7.37426 2.83264 -138.52703 1063.22147
2130.0000 -147.21612 -138.81064 8.40548 2.82188 -138.69553 1034.37613
2135.0000 -148.16561 -139.87306 8.29255 2.76332 -139.61279 984.75396
2140.0000 -148.09724 -139.83374 8.26350 2.73217 -140.10081 948.22273
2145.0000 -148.31916 -139.17943 9.13973 2.81900 -138.74069 1024.91021
2150.0000 -148.67486 -139.62986 9.04500 2.79355 -139.13923 1028.79614
2155.0000 -146.72879 -137.86545 8.86334 2.84379 -138.35225 1064.11570
2160.0000 -146.57300 -138.18220 8.39080 2.89700 -137.51873 1039.19965
2165.0000 -146.64495 -137.97636 8.66858 2.84111 -138.39423 994.20667
2170.0000 -147.26194 -139.68964 7.57230 2.79112 -139.17731 981.41223
2175.0000 -148.24789 -140.44765 7.80024 2.69972 -140.60920 952.80727
2180.0000 -147.48408 -140.07628 7.40781 2.68913 -140.77501 962.45439
2185.0000 -147.26061 -139.08262 8.17799 2.74795 -139.85366 1019.57438
2190.0000 -147.89280 -139.22298 8.66982 2.77862 -139.37314 1031.13674
2195.0000 -147.71012 -140.38170 7.32841 2.76947 -139.51653 1001.42503
2200.0000 -145.41656 -136.53860 8.87797 2.82762 -138.60559 1048.47944
2205.0000 -147.67116 -139.54704 8.12412 2.88605 -137.69032 1091.08344
2210.0000 -146.76476 -138.37448 8.39028 2.79412 -139.13031 996.42699
2215.0000 -149.28859 -141.55652 7.73207 2.76403 -139.60168 986.90425
2220.0000 -146.46055 -140.06327 6.39729 2.65649 -141.28634 927.97368
2225.0000 -149.33234 -140.83548 8.49686 2.70182 -140.57620 960.99759
2230.0000 -147.11338 -140.09096 7.02243 2.77027 -139.50395 1009.45685
2235.0000 -146.64279 -137.79035 8.85243 2.75150 -139.79804 986.24784
2240.0000 -145.35073 -138.13828 7.21245 2.86254 -138.05864 1079.43980
2245.0000 -146.75889 -138.83949 7.91940 2.80897 -138.89779 1049.18678
2250.0000 -147.23486 -139.10381 8.13106 2.78905 -139.20975 1008.63264
FREEZING PROCESS: loop number 10 T-loop= 963.00000000000000
main_MD> interactions number 10 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.95916 -0.25231 -1.50965
force_rgl> df(natom) -2.30839 -0.98414 4.12150
2255.0000 -148.80380 -140.47676 8.32704 2.69458 -140.68970 953.15845
2260.0000 -147.80285 -139.67738 8.12546 2.75904 -139.67993 983.53401
2265.0000 -147.48188 -140.53921 6.94268 2.76265 -139.62328 984.44307
2270.0000 -149.63434 -142.09463 7.53971 2.68286 -140.87321 957.07212
2275.0000 -147.88805 -140.43029 7.45776 2.67171 -141.04797 949.19452
2280.0000 -148.16145 -139.56460 8.59684 2.72602 -140.19723 984.49516
2285.0000 -147.70622 -140.91736 6.78885 2.72090 -140.27740 929.72690
2290.0000 -147.46238 -139.52014 7.94224 2.70170 -140.57817 951.64085
2295.0000 -145.60287 -138.21023 7.39264 2.86980 -137.94482 1117.07841
2300.0000 -148.01620 -140.83158 7.18462 2.75054 -139.81300 1021.67333
2305.0000 -147.73987 -141.11148 6.62839 2.67222 -141.03996 936.92238
2310.0000 -148.65540 -140.04689 8.60851 2.66277 -141.18794 939.20082
2315.0000 -150.16572 -142.89639 7.26933 2.60888 -142.03220 908.93393
2320.0000 -148.51169 -139.94418 8.56751 2.71502 -140.36945 957.44285
2325.0000 -149.60654 -141.67507 7.93147 2.65538 -141.30368 961.73522
2330.0000 -146.66100 -139.00395 7.65705 2.68362 -140.86139 970.36040
2335.0000 -147.35302 -140.21613 7.13689 2.79285 -139.15031 1048.97826
2340.0000 -146.34044 -139.19895 7.14149 2.78140 -139.32964 1016.23137
2345.0000 -147.79609 -139.08720 8.70889 2.77695 -139.39930 1000.18132
2350.0000 -148.23196 -140.49997 7.73200 2.65647 -141.28671 938.80464
2355.0000 -147.25022 -140.82750 6.42272 2.69567 -140.67257 955.63312
2360.0000 -149.39502 -141.27456 8.12047 2.67142 -141.05239 945.77469
2365.0000 -149.10025 -142.97039 6.12985 2.58099 -142.46908 863.41943
2370.0000 -149.22976 -142.04040 7.18936 2.64850 -141.41144 894.40495
2375.0000 -147.89421 -141.22484 6.66937 2.68529 -140.83511 955.81710
2380.0000 -149.17142 -143.24037 5.93105 2.60011 -142.16946 884.16369
2385.0000 -149.24678 -143.61505 5.63173 2.50458 -143.66606 820.71806
2390.0000 -149.41897 -142.68210 6.73687 2.56823 -142.66885 892.23844
2395.0000 -148.02065 -141.11628 6.90436 2.58704 -142.37426 884.69225
2400.0000 -149.39136 -141.93495 7.45641 2.60170 -142.14468 901.29085
2405.0000 -148.92386 -140.10427 8.81959 2.61368 -141.95689 904.11302
2410.0000 -147.67104 -140.10371 7.56734 2.72772 -140.17050 956.02464
2415.0000 -147.62919 -139.16367 8.46553 2.79169 -139.16846 1016.47377
2420.0000 -147.80535 -139.47228 8.33306 2.83903 -138.42679 1053.05370
2425.0000 -147.74298 -140.11707 7.62590 2.73825 -140.00564 962.33949
2430.0000 -148.28301 -141.51135 6.77166 2.66868 -141.09543 938.70050
2435.0000 -149.54666 -142.74542 6.80124 2.59674 -142.22225 891.39360
2440.0000 -149.00766 -140.51238 8.49528 2.62349 -141.80333 896.30757
2445.0000 -149.30991 -140.47956 8.83034 2.70826 -140.47533 979.14984
2450.0000 -149.09211 -141.71079 7.38132 2.74718 -139.86576 989.70149
2455.0000 -150.82959 -142.89059 7.93900 2.57920 -142.49709 868.45147
2460.0000 -148.46728 -141.21864 7.24864 2.62144 -141.83535 906.47971
2465.0000 -147.25368 -138.82531 8.42837 2.73280 -140.09087 952.80648
2470.0000 -147.67005 -140.48121 7.18884 2.77356 -139.45246 982.65342
2475.0000 -147.64379 -139.89984 7.74395 2.71422 -140.38199 956.64100
2480.0000 -148.16522 -141.01586 7.14936 2.70873 -140.46800 940.34936
2485.0000 -148.50077 -140.00859 8.49218 2.69470 -140.68781 960.24341
2490.0000 -149.49311 -142.24060 7.25251 2.66354 -141.17586 928.02778
2495.0000 -146.73048 -139.58216 7.14832 2.70638 -140.50479 948.57404
2500.0000 -149.05580 -141.69126 7.36455 2.67161 -141.04956 955.17733
FREEZING PROCESS: loop number 11 T-loop= 938.00000000000000
main_MD> interactions number 11 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48755 0.57073 -0.57574
force_rgl> df(natom) -5.09053 0.87733 3.51629
2505.0000 -149.75793 -141.64412 8.11382 2.63181 -141.67291 908.82651
2510.0000 -149.65381 -142.46267 7.19114 2.60444 -142.10174 867.96969
2515.0000 -149.13577 -142.23564 6.90013 2.56853 -142.66420 875.65744
2520.0000 -149.50015 -142.09848 7.40166 2.59029 -142.32339 893.43821
2525.0000 -148.37805 -141.55267 6.82538 2.63097 -141.68609 898.10010
2530.0000 -149.89288 -142.48004 7.41284 2.65288 -141.34293 924.34764
2535.0000 -148.80180 -142.57433 6.22746 2.57012 -142.63931 865.05917
2540.0000 -147.40151 -140.74813 6.65338 2.63896 -141.56098 916.87987
2545.0000 -149.12668 -141.85902 7.26766 2.61791 -141.89072 906.03154
2550.0000 -147.35888 -139.42487 7.93402 2.72715 -140.17952 922.09390
2555.0000 -148.30104 -140.20919 8.09185 2.72070 -140.28043 953.92803
2560.0000 -147.45075 -139.56039 7.89037 2.69572 -140.67180 945.84734
2565.0000 -149.83282 -141.91606 7.91676 2.62317 -141.80836 894.89169
2570.0000 -149.83214 -142.60056 7.23159 2.50765 -143.61791 821.69333
2575.0000 -147.70558 -141.38569 6.31990 2.61385 -141.95433 936.76321
2580.0000 -147.73037 -139.56560 8.16477 2.66594 -141.13836 966.71267
2585.0000 -149.00097 -141.21912 7.78185 2.66362 -141.17471 917.08604
2590.0000 -149.07916 -141.21989 7.85927 2.67641 -140.97425 962.54846
2595.0000 -148.55249 -139.68818 8.86431 2.65607 -141.29284 933.62259
2600.0000 -147.52377 -140.22877 7.29499 2.75941 -139.67411 1005.14628
2605.0000 -150.37852 -142.89669 7.48183 2.66873 -141.09453 905.90809
2610.0000 -150.40647 -143.69307 6.71339 2.61401 -141.95173 915.95636
2615.0000 -149.05965 -141.82226 7.23739 2.56677 -142.69183 863.87360
2620.0000 -150.29814 -142.44129 7.85685 2.56516 -142.71709 864.10798
2625.0000 -151.21778 -144.66678 6.55100 2.51136 -143.55983 833.14719
2630.0000 -149.94926 -142.69173 7.25753 2.50702 -143.62773 844.38574
2635.0000 -149.57484 -143.05344 6.52140 2.59118 -142.30939 894.14447
2640.0000 -149.13266 -142.62188 6.51077 2.54824 -142.98206 864.56218
2645.0000 -148.06048 -140.90997 7.15051 2.62909 -141.71552 878.46337
2650.0000 -146.99334 -139.87684 7.11649 2.73028 -140.13047 985.33858
2655.0000 -148.26586 -140.59020 7.67566 2.71661 -140.34462 992.28721
2660.0000 -149.27019 -141.57733 7.69285 2.67675 -140.96891 920.82935
2665.0000 -148.12166 -140.18947 7.93219 2.63804 -141.57542 919.82199
2670.0000 -147.44793 -140.60100 6.84694 2.71012 -140.44623 967.86640
2675.0000 -150.07708 -143.42819 6.64890 2.64031 -141.53984 901.87303
2680.0000 -150.38430 -142.80427 7.58004 2.51389 -143.52012 837.89392
2685.0000 -148.50316 -140.62367 7.87949 2.63639 -141.60114 920.18176
2690.0000 -148.76134 -139.04602 9.71531 2.75495 -139.74394 997.76867
2695.0000 -149.68926 -142.40822 7.28104 2.70894 -140.46465 966.19487
2700.0000 -150.68765 -143.29929 7.38836 2.57766 -142.52122 846.54114
2705.0000 -148.94544 -140.92577 8.01967 2.59986 -142.17351 885.24051
2710.0000 -150.49236 -142.50801 7.98435 2.63075 -141.68947 934.02250
2715.0000 -148.18066 -140.62989 7.55077 2.61176 -141.98707 918.20865
2720.0000 -149.07428 -141.78159 7.29269 2.64258 -141.50422 923.36360
2725.0000 -147.46238 -140.96599 6.49638 2.65736 -141.27273 941.92838
2730.0000 -149.42350 -141.46216 7.96134 2.70938 -140.45781 967.24086
2735.0000 -147.23988 -138.82809 8.41179 2.71317 -140.39844 953.57828
2740.0000 -148.15899 -139.42130 8.73769 2.80814 -138.91076 1080.26906
2745.0000 -148.91020 -139.58506 9.32514 2.69946 -140.61315 963.24405
2750.0000 -147.89040 -140.50660 7.38380 2.72325 -140.24055 994.12441
FREEZING PROCESS: loop number 12 T-loop= 913.00000000000000
main_MD> interactions number 12 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.45855 -3.73622 -0.70826
force_rgl> df(natom) 2.44863 0.33418 3.78373
2755.0000 -148.19947 -139.57903 8.62044 2.70690 -140.49668 968.08920
2760.0000 -149.47624 -143.21498 6.26127 2.60963 -142.02042 902.86851
2765.0000 -150.10545 -142.98509 7.12036 2.56729 -142.68364 872.71144
2770.0000 -148.19379 -140.62239 7.57140 2.61988 -141.85980 923.88528
2775.0000 -149.22139 -142.60753 6.61386 2.61068 -142.00391 918.49215
2780.0000 -149.04285 -141.00744 8.03541 2.57978 -142.48802 908.66987
2785.0000 -149.39667 -141.89511 7.50156 2.67376 -141.01582 947.22455
2790.0000 -150.20239 -144.47477 5.72761 2.56550 -142.71168 874.98216
2795.0000 -149.86773 -143.82181 6.04592 2.47869 -144.07161 809.07523
2800.0000 -148.80018 -141.54335 7.25684 2.57576 -142.55090 863.62772
2805.0000 -149.32191 -142.30029 7.02161 2.56639 -142.69777 872.19522
2810.0000 -148.65701 -141.37770 7.27932 2.63478 -141.62644 946.08858
2815.0000 -147.36626 -139.46590 7.90036 2.70377 -140.54570 967.17118
2820.0000 -148.58773 -140.61456 7.97317 2.68850 -140.78498 938.30852
2825.0000 -149.71291 -142.03683 7.67608 2.66153 -141.20746 916.22537
2830.0000 -148.58838 -140.24898 8.33940 2.64697 -141.43549 897.51023
2835.0000 -149.43639 -142.66187 6.77452 2.63342 -141.64776 878.72864
2840.0000 -148.40676 -141.17650 7.23027 2.64140 -141.52271 894.28690
2845.0000 -149.71924 -141.67730 8.04194 2.60611 -142.07553 912.38045
2850.0000 -149.16151 -142.37414 6.78737 2.58740 -142.36862 873.22745
2855.0000 -149.91718 -142.20560 7.71158 2.52725 -143.31083 798.01347
2860.0000 -149.27666 -143.07041 6.20625 2.59682 -142.22099 857.05821
2865.0000 -149.38804 -141.85492 7.53312 2.60924 -142.02649 876.28691
2870.0000 -149.14088 -141.49915 7.64173 2.67077 -141.06263 962.44895
2875.0000 -147.75738 -140.30190 7.45548 2.70652 -140.50261 964.75470
2880.0000 -149.78181 -141.60516 8.17665 2.69032 -140.75641 953.95612
2885.0000 -148.70467 -141.61238 7.09229 2.63391 -141.64010 907.53201
2890.0000 -148.22103 -142.05590 6.16514 2.63998 -141.54497 916.13901
2895.0000 -149.76221 -142.62095 7.14126 2.59040 -142.32171 863.60525
2900.0000 -147.28944 -139.55703 7.73241 2.63217 -141.66728 921.25166
2905.0000 -147.99449 -140.30971 7.68478 2.75345 -139.76741 997.03171
2910.0000 -148.36783 -142.12000 6.24783 2.63986 -141.54689 943.04915
2915.0000 -148.41331 -140.65629 7.75702 2.62673 -141.75245 910.65266
2920.0000 -149.46014 -140.57020 8.88993 2.70910 -140.46222 956.45427
2925.0000 -148.18501 -140.67281 7.51220 2.70278 -140.56122 941.07758
2930.0000 -148.56253 -142.06044 6.50208 2.63926 -141.55625 901.15877
2935.0000 -148.57076 -142.30938 6.26139 2.64878 -141.40707 908.24541
2940.0000 -150.59295 -142.66458 7.92837 2.56557 -142.71056 876.00143
2945.0000 -148.43929 -141.79979 6.63950 2.61282 -141.97044 893.16997
2950.0000 -149.80193 -142.67991 7.12202 2.61450 -141.94407 884.34691
2955.0000 -150.84620 -144.52177 6.32442 2.48757 -143.93242 804.22812
2960.0000 -150.48009 -143.55766 6.92243 2.49016 -143.89189 827.82443
2965.0000 -148.83594 -142.10417 6.73176 2.55760 -142.83547 861.68210
2970.0000 -147.21676 -140.16655 7.05021 2.66626 -141.13323 940.75427
2975.0000 -148.84389 -140.56593 8.27795 2.76770 -139.54429 1005.69667
2980.0000 -145.83379 -137.64535 8.18844 2.80034 -139.03299 1017.10637
2985.0000 -149.11276 -141.38683 7.72593 2.75584 -139.72995 963.53485
2990.0000 -148.41478 -141.62386 6.79092 2.64420 -141.47885 893.70760
2995.0000 -150.11491 -143.03359 7.08133 2.54546 -143.02556 800.25704
3000.0000 -147.78328 -139.88446 7.89882 2.60224 -142.13614 912.46569
FREEZING PROCESS: loop number 13 T-loop= 888.00000000000000
main_MD> interactions number 13 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.98476 -1.18658 1.05053
force_rgl> df(natom) 1.00398 -1.06247 2.31907
3005.0000 -149.16690 -141.82627 7.34062 2.73723 -140.02159 977.86466
3010.0000 -148.83799 -141.52809 7.30990 2.58058 -142.47553 870.72457
3015.0000 -150.05186 -142.36737 7.68448 2.61809 -141.88786 876.30143
3020.0000 -149.84392 -142.07775 7.76617 2.62262 -141.81686 905.41684
3025.0000 -148.18084 -141.28045 6.90039 2.64344 -141.49072 903.20534
3030.0000 -148.97191 -143.13549 5.83643 2.60081 -142.15859 872.53271
3035.0000 -148.78734 -141.88941 6.89793 2.59311 -142.27923 889.92397
3040.0000 -148.31184 -140.19634 8.11550 2.68839 -140.78666 926.28970
3045.0000 -149.84023 -142.66651 7.17372 2.64956 -141.39491 914.10513
3050.0000 -149.33566 -142.40448 6.93118 2.60309 -142.12286 891.46400
3055.0000 -150.19058 -143.58831 6.60227 2.54970 -142.95912 868.59226
3060.0000 -148.93593 -141.66796 7.26797 2.58850 -142.35136 882.64117
3065.0000 -148.35127 -141.14773 7.20354 2.68727 -140.80419 955.84458
3070.0000 -148.82316 -142.16720 6.65596 2.66335 -141.17892 946.28155
3075.0000 -149.60052 -142.16915 7.43137 2.59714 -142.21607 878.64258
3080.0000 -148.57715 -142.38513 6.19201 2.63314 -141.65218 898.98341
3085.0000 -150.89842 -143.88090 7.01752 2.62333 -141.80572 899.26205
3090.0000 -149.49161 -143.23170 6.25991 2.47385 -144.14733 807.05406
3095.0000 -151.03285 -144.60832 6.42453 2.49104 -143.87805 822.55312
3100.0000 -152.02403 -143.50394 8.52010 2.49830 -143.76430 855.29000
3105.0000 -149.82595 -143.20895 6.61700 2.46446 -144.29440 804.42204
3110.0000 -149.15467 -142.04821 7.10646 2.56478 -142.72290 872.51988
3115.0000 -149.72510 -142.57382 7.15128 2.54661 -143.00762 877.10360
3120.0000 -151.31764 -143.96347 7.35417 2.59758 -142.20912 910.64799
3125.0000 -150.05256 -142.27127 7.78130 2.52338 -143.37142 859.62751
3130.0000 -149.09491 -142.82240 6.27250 2.56921 -142.65358 881.29434
3135.0000 -149.46789 -143.07109 6.39680 2.53852 -143.13431 856.16825
3140.0000 -149.76852 -143.46514 6.30338 2.57067 -142.63064 868.46374
3145.0000 -148.57232 -141.25191 7.32041 2.59355 -142.27221 889.66466
3150.0000 -148.47178 -140.65794 7.81385 2.63672 -141.59610 898.38934
3155.0000 -149.66594 -141.42297 8.24296 2.63064 -141.69132 921.23812
3160.0000 -149.57681 -142.71230 6.86451 2.63519 -141.61996 927.51792
3165.0000 -147.75720 -140.34067 7.41653 2.60702 -142.06132 886.41835
3170.0000 -149.39535 -140.57427 8.82109 2.68215 -140.88445 936.16919
3175.0000 -149.37405 -141.82540 7.54865 2.63074 -141.68969 926.10472
3180.0000 -148.94703 -142.05195 6.89508 2.65701 -141.27817 935.39044
3185.0000 -148.20768 -141.20019 7.00749 2.56101 -142.78206 827.95459
3190.0000 -146.55250 -140.03327 6.51923 2.69447 -140.69133 982.11542
3195.0000 -149.75086 -142.59247 7.15839 2.67460 -141.00262 957.41852
3200.0000 -148.99014 -141.54814 7.44201 2.56896 -142.65743 872.15126
3205.0000 -150.26719 -143.43863 6.82856 2.56923 -142.65322 848.71507
3210.0000 -149.91408 -142.64844 7.26564 2.55305 -142.90671 831.74480
3215.0000 -150.34124 -143.47496 6.86628 2.56629 -142.69924 842.07992
3220.0000 -148.28771 -140.73698 7.55073 2.59540 -142.24323 893.04008
3225.0000 -149.17776 -140.68118 8.49658 2.60561 -142.08336 915.03959
3230.0000 -149.57468 -142.27371 7.30097 2.63921 -141.55697 918.38569
3235.0000 -148.74521 -140.86993 7.87528 2.60597 -142.07766 910.42936
3240.0000 -150.36427 -142.69027 7.67400 2.65622 -141.29056 944.84664
3245.0000 -149.58032 -144.01512 5.56520 2.53196 -143.23711 857.02423
3250.0000 -150.65878 -143.53582 7.12296 2.44062 -144.66793 769.48125
FREEZING PROCESS: loop number 14 T-loop= 863.00000000000000
main_MD> interactions number 14 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09394 2.39145 1.01888
force_rgl> df(natom) 2.05501 1.72002 0.47189
3255.0000 -150.45658 -144.43547 6.02110 2.51241 -143.54327 819.32359
3260.0000 -151.49402 -144.33278 7.16124 2.43128 -144.81426 786.03190
3265.0000 -148.99604 -142.79021 6.20583 2.51922 -143.43665 853.49016
3270.0000 -150.59877 -144.08672 6.51204 2.53569 -143.17872 858.24600
3275.0000 -151.15067 -143.54912 7.60155 2.52444 -143.35483 850.79924
3280.0000 -150.05865 -142.07726 7.98138 2.51571 -143.49161 858.65316
3285.0000 -150.58526 -143.56175 7.02351 2.57039 -142.63503 858.49873
3290.0000 -149.39223 -144.28909 5.10315 2.50996 -143.58168 831.46206
3295.0000 -149.50765 -142.50343 7.00422 2.52183 -143.39573 828.22006
3300.0000 -150.49577 -142.48215 8.01361 2.57180 -142.61306 868.85280
3305.0000 -150.73255 -144.51050 6.22205 2.49595 -143.80124 822.03240
3310.0000 -150.11203 -143.41938 6.69265 2.48700 -143.94141 782.27034
3315.0000 -149.36618 -142.48611 6.88007 2.53145 -143.24512 834.84548
3320.0000 -149.23995 -141.86940 7.37055 2.58146 -142.46173 839.62238
3325.0000 -149.31838 -142.34106 6.97732 2.53999 -143.11123 848.07840
3330.0000 -148.33425 -142.23088 6.10337 2.59514 -142.24735 886.38688
3335.0000 -149.66193 -142.58885 7.07307 2.59250 -142.28875 867.05185
3340.0000 -150.14363 -142.79545 7.34818 2.52853 -143.29078 849.68226
3345.0000 -149.15250 -142.18292 6.96958 2.58541 -142.39978 831.72217
3350.0000 -148.96983 -141.89957 7.07026 2.60427 -142.10438 874.96774
3355.0000 -149.53018 -142.48576 7.04442 2.56414 -142.73296 836.72064
3360.0000 -149.53591 -141.99010 7.54581 2.56456 -142.72648 855.24324
3365.0000 -149.14153 -141.40146 7.74007 2.65056 -141.37929 917.55947
3370.0000 -150.31660 -143.51102 6.80558 2.57187 -142.61188 854.79223
3375.0000 -148.29139 -142.26478 6.02661 2.56296 -142.75141 862.44243
3380.0000 -148.66731 -140.92081 7.74650 2.68102 -140.90212 952.95532
3385.0000 -149.01320 -141.78683 7.22637 2.62866 -141.72228 898.78737
3390.0000 -149.17057 -141.39189 7.77868 2.63871 -141.56482 911.48705
3395.0000 -149.35379 -141.06804 8.28575 2.59550 -142.24166 908.88137
3400.0000 -149.41392 -142.48344 6.93048 2.62927 -141.71279 928.44256
3405.0000 -149.97033 -143.33034 6.63998 2.51611 -143.48536 808.89271
3410.0000 -150.01609 -143.26914 6.74694 2.48638 -143.95103 825.27755
3415.0000 -149.60293 -142.76503 6.83790 2.55878 -142.81702 867.51995
3420.0000 -151.25601 -144.78906 6.46695 2.49290 -143.84890 834.90869
3425.0000 -152.01532 -145.34398 6.67135 2.37648 -145.67262 747.69165
3430.0000 -151.01496 -145.17786 5.83710 2.40560 -145.21651 775.10280
3435.0000 -151.33211 -144.01924 7.31287 2.43368 -144.77666 800.34418
3440.0000 -151.95609 -143.21074 8.74535 2.52570 -143.33511 860.92913
3445.0000 -149.89308 -142.81877 7.07431 2.55751 -142.83688 879.53733
3450.0000 -149.25348 -142.34473 6.90874 2.50617 -143.64115 807.93686
3455.0000 -148.90037 -141.51324 7.38713 2.63577 -141.61098 879.60543
3460.0000 -148.76964 -142.23261 6.53703 2.63063 -141.69136 922.97605
3465.0000 -150.04761 -143.91045 6.13715 2.53340 -143.21453 827.35487
3470.0000 -150.44885 -142.78619 7.66266 2.53070 -143.25689 838.40578
3475.0000 -149.40526 -142.08870 7.31656 2.56001 -142.79768 877.55865
3480.0000 -150.03509 -141.88181 8.15329 2.62054 -141.84945 888.70341
3485.0000 -149.57307 -142.31944 7.25363 2.64176 -141.51707 905.24830
3490.0000 -149.83150 -143.51936 6.31214 2.55196 -142.92372 846.36400
3495.0000 -148.26241 -142.35168 5.91073 2.55515 -142.87387 865.81657
3500.0000 -150.56988 -143.89713 6.67275 2.55042 -142.94789 838.16070
FREEZING PROCESS: loop number 15 T-loop= 838.00000000000000
main_MD> interactions number 15 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49316 2.87310 3.13247
force_rgl> df(natom) -0.13690 -0.60306 1.51599
3505.0000 -151.26859 -145.39359 5.87500 2.46399 -144.30178 826.52432
3510.0000 -151.85408 -145.81588 6.03820 2.39540 -145.37635 778.70294
3515.0000 -150.26283 -142.48164 7.78119 2.47318 -144.15793 806.94167
3520.0000 -149.96033 -142.25978 7.70055 2.54975 -142.95843 864.06744
3525.0000 -151.05318 -144.45344 6.59974 2.50093 -143.72309 819.91767
3530.0000 -150.33045 -143.91774 6.41271 2.48764 -143.93134 796.33697
3535.0000 -149.42397 -143.49818 5.92579 2.51106 -143.56442 835.98919
3540.0000 -150.96769 -144.94518 6.02250 2.46182 -144.33578 781.78067
3545.0000 -151.82352 -146.10282 5.72069 2.43346 -144.78004 754.77753
3550.0000 -151.20793 -145.33398 5.87395 2.38498 -145.53948 727.81382
3555.0000 -150.59485 -144.71298 5.88187 2.43902 -144.69299 787.67523
3560.0000 -150.70235 -144.03438 6.66797 2.46674 -144.25875 804.20567
3565.0000 -150.35747 -143.07949 7.27798 2.55599 -142.86066 880.35363
3570.0000 -148.65363 -142.93381 5.71982 2.55568 -142.86553 856.67949
3575.0000 -150.70175 -143.51526 7.18650 2.54133 -143.09023 846.64946
3580.0000 -151.33781 -144.40224 6.93557 2.45922 -144.37648 807.30652
3585.0000 -149.69321 -143.87374 5.81947 2.50634 -143.63835 839.65367
3590.0000 -150.48833 -143.61537 6.87297 2.54972 -142.95883 881.68842
3595.0000 -149.72087 -143.07727 6.64360 2.54821 -142.98259 875.79436
3600.0000 -148.88053 -141.96917 6.91136 2.62525 -141.77567 879.65684
3605.0000 -147.91957 -140.45752 7.46205 2.66901 -141.09016 929.83581
3610.0000 -148.98178 -141.74116 7.24062 2.63418 -141.63579 892.89653
3615.0000 -149.75188 -143.81244 5.93943 2.59191 -142.29794 860.37963
3620.0000 -152.23683 -145.24267 6.99415 2.42739 -144.87518 777.25059
3625.0000 -151.44484 -144.86266 6.58219 2.40390 -145.24311 734.62383
3630.0000 -150.12943 -144.04426 6.08517 2.51156 -143.55670 812.81845
3635.0000 -150.03224 -143.56805 6.46420 2.46020 -144.36124 769.74640
3640.0000 -149.90942 -143.61492 6.29450 2.49498 -143.81644 833.02565
3645.0000 -149.08413 -142.70830 6.37583 2.52413 -143.35981 826.01134
3650.0000 -151.29851 -144.41555 6.88297 2.56326 -142.74680 870.35025
3655.0000 -149.77230 -143.53357 6.23873 2.51658 -143.47803 835.14177
3660.0000 -151.72585 -145.92345 5.80241 2.45800 -144.39563 777.65690
3665.0000 -150.56455 -143.55790 7.00665 2.39800 -145.33559 727.49930
3670.0000 -149.28833 -143.30627 5.98206 2.56617 -142.70118 867.45256
3675.0000 -149.95776 -142.57056 7.38720 2.56937 -142.65104 865.72585
3680.0000 -149.34772 -142.20625 7.14146 2.57409 -142.57708 858.13372
3685.0000 -150.81972 -144.31738 6.50234 2.49549 -143.80832 833.51275
3690.0000 -150.21503 -143.47528 6.73975 2.47457 -144.13603 800.70710
3695.0000 -150.33107 -143.68296 6.64811 2.51765 -143.46131 842.79824
3700.0000 -152.05829 -144.70228 7.35601 2.54168 -143.08484 867.46146
3705.0000 -149.86716 -142.66899 7.19816 2.50220 -143.70329 834.16226
3710.0000 -149.68523 -144.13722 5.54801 2.51219 -143.54670 835.57841
3715.0000 -151.24068 -143.78141 7.45927 2.50680 -143.63128 819.12713
3720.0000 -151.28704 -145.36358 5.92346 2.42605 -144.89620 784.54301
3725.0000 -150.41626 -143.03472 7.38153 2.45238 -144.48370 801.59874
3730.0000 -150.05549 -143.87966 6.17583 2.51184 -143.55231 873.16308
3735.0000 -150.79641 -144.33316 6.46325 2.49369 -143.83650 820.38001
3740.0000 -151.30872 -144.76547 6.54326 2.45930 -144.37532 779.85433
3745.0000 -150.59276 -144.60396 5.98880 2.43877 -144.69686 772.25340
3750.0000 -150.18312 -142.80345 7.37967 2.52391 -143.36324 833.05281
FREEZING PROCESS: loop number 16 T-loop= 813.00000000000000
main_MD> interactions number 16 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79984 1.27189 -2.21711
force_rgl> df(natom) -0.95533 2.52072 -3.91009
3755.0000 -149.12285 -143.17957 5.94328 2.52696 -143.31533 840.70700
3760.0000 -150.90282 -144.50544 6.39738 2.50782 -143.61526 839.49889
3765.0000 -149.58171 -144.03560 5.54611 2.51449 -143.51074 829.76310
3770.0000 -150.78771 -143.26719 7.52052 2.56045 -142.79076 839.83908
3775.0000 -150.96844 -144.83737 6.13106 2.46147 -144.34127 796.20237
3780.0000 -149.71819 -143.00067 6.71752 2.46738 -144.24877 769.58346
3785.0000 -151.75889 -144.77008 6.98881 2.46320 -144.31417 761.33044
3790.0000 -149.58921 -143.17850 6.41071 2.49157 -143.86983 816.00080
3795.0000 -150.56821 -145.31366 5.25455 2.51663 -143.47720 814.66748
3800.0000 -151.33487 -144.63505 6.69983 2.42834 -144.86023 761.34898
3805.0000 -151.11063 -144.49717 6.61347 2.46876 -144.22715 836.20286
3810.0000 -150.32433 -145.41060 4.91373 2.39807 -145.33441 756.27463
3815.0000 -150.83039 -144.45443 6.37596 2.43525 -144.75209 765.58397
3820.0000 -150.35135 -143.98922 6.36212 2.44469 -144.60417 770.03844
3825.0000 -148.99636 -141.69281 7.30355 2.54548 -143.02524 851.06056
3830.0000 -149.72262 -142.95902 6.76360 2.58943 -142.33682 855.32059
3835.0000 -149.95031 -144.56701 5.38329 2.51526 -143.49863 794.92898
3840.0000 -151.28920 -144.07126 7.21794 2.49493 -143.81714 840.05666
3845.0000 -150.78177 -145.25123 5.53054 2.43332 -144.78227 776.51118
3850.0000 -150.38178 -144.11293 6.26885 2.44473 -144.60351 792.45029
3855.0000 -149.81066 -142.36683 7.44383 2.54265 -143.06965 832.46369
3860.0000 -150.80713 -144.01723 6.78990 2.54762 -142.99170 861.24504
3865.0000 -152.50632 -146.88833 5.61800 2.44959 -144.52734 781.99628
3870.0000 -150.67521 -144.64416 6.03104 2.39790 -145.33719 752.41239
3875.0000 -151.25336 -144.23258 7.02077 2.51056 -143.57228 824.55915
3880.0000 -151.68501 -144.35244 7.33256 2.45982 -144.36718 766.90794
3885.0000 -152.23680 -146.19595 6.04085 2.42759 -144.87202 772.28378
3890.0000 -151.52372 -146.07325 5.45047 2.32691 -146.44915 731.73159
3895.0000 -150.23014 -144.42858 5.80156 2.37822 -145.64548 749.73989
3900.0000 -151.55326 -144.73964 6.81362 2.39047 -145.45345 730.05801
3905.0000 -150.85173 -144.05058 6.80115 2.45713 -144.40922 799.49689
3910.0000 -149.78041 -143.57374 6.20667 2.49696 -143.78540 816.40956
3915.0000 -150.08866 -143.62416 6.46450 2.48286 -144.00631 810.83267
3920.0000 -152.23742 -146.08603 6.15139 2.45702 -144.41098 779.85206
3925.0000 -151.24741 -145.21302 6.03439 2.39497 -145.38305 749.55404
3930.0000 -151.21518 -145.33614 5.87904 2.39359 -145.40457 752.79370
3935.0000 -150.49562 -144.47205 6.02357 2.47937 -144.06089 800.14126
3940.0000 -150.32449 -144.97754 5.34695 2.42166 -144.96489 753.54014
3945.0000 -151.46503 -145.04666 6.41837 2.36008 -145.92954 710.60555
3950.0000 -149.71462 -143.35062 6.36399 2.50629 -143.63916 834.05095
3955.0000 -151.61689 -146.09178 5.52511 2.41707 -145.03682 741.77063
3960.0000 -150.81654 -145.14613 5.67040 2.33672 -146.29549 701.43037
3965.0000 -151.85611 -144.54903 7.30707 2.41671 -145.04239 773.74463
3970.0000 -150.46303 -142.89162 7.57141 2.50068 -143.72707 798.52917
3975.0000 -151.66027 -145.09183 6.56844 2.50526 -143.65535 827.64548
3980.0000 -151.05430 -143.93928 7.11502 2.47950 -144.05891 794.92509
3985.0000 -149.28521 -142.61581 6.66941 2.51195 -143.55051 806.18011
3990.0000 -150.36278 -144.19590 6.16688 2.54683 -143.00419 847.16185
3995.0000 -150.08271 -144.27107 5.81164 2.51680 -143.47456 820.04739
4000.0000 -151.18991 -144.19741 6.99250 2.50599 -143.64388 819.35691
FREEZING PROCESS: loop number 17 T-loop= 788.00000000000000
main_MD> interactions number 17 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58919 5.72861 0.34638
force_rgl> df(natom) -0.58607 0.93951 0.42730
4005.0000 -150.92649 -144.30436 6.62213 2.46886 -144.22556 788.11177
4010.0000 -151.02985 -144.92375 6.10611 2.46705 -144.25385 819.57336
4015.0000 -151.85793 -145.67168 6.18624 2.39833 -145.33043 765.13464
4020.0000 -151.23854 -145.12550 6.11303 2.38014 -145.61539 760.09116
4025.0000 -151.59839 -145.64473 5.95366 2.38256 -145.57738 780.96080
4030.0000 -152.00234 -145.79873 6.20361 2.34436 -146.17581 727.76772
4035.0000 -152.00669 -146.29543 5.71126 2.36008 -145.92954 732.88640
4040.0000 -152.05545 -145.64257 6.41288 2.39483 -145.38525 733.59460
4045.0000 -151.72095 -146.26652 5.45442 2.38986 -145.46313 741.73009
4050.0000 -151.73118 -144.31990 7.41128 2.41790 -145.02384 764.54542
4055.0000 -150.42701 -144.15888 6.26814 2.48470 -143.97748 824.16488
4060.0000 -150.75639 -145.18008 5.57631 2.43001 -144.83419 775.37345
4065.0000 -150.77111 -144.84409 5.92702 2.43250 -144.79515 746.22433
4070.0000 -150.40329 -144.82372 5.57957 2.47740 -144.09172 798.35567
4075.0000 -152.52859 -145.65515 6.87344 2.40799 -145.17913 762.60561
4080.0000 -151.63932 -145.54987 6.08945 2.38398 -145.55511 729.95800
4085.0000 -150.54573 -145.29497 5.25076 2.39218 -145.42672 720.59755
4090.0000 -151.88686 -146.65030 5.23656 2.32754 -146.43935 688.98803
4095.0000 -151.98130 -146.24275 5.73855 2.33979 -146.24739 693.13309
4100.0000 -153.13969 -145.77575 7.36393 2.40270 -145.26189 740.58195
4105.0000 -152.24185 -145.92913 6.31273 2.34325 -146.19327 710.60912
4110.0000 -151.30410 -146.44526 4.85884 2.33490 -146.32409 698.11868
4115.0000 -149.47659 -142.50653 6.97005 2.42766 -144.87097 774.89309
4120.0000 -150.09646 -143.97266 6.12380 2.50263 -143.69649 812.25345
4125.0000 -152.49483 -146.64893 5.84590 2.40227 -145.26866 760.08279
4130.0000 -151.07471 -145.05047 6.02424 2.35792 -145.96334 717.17148
4135.0000 -149.72973 -144.16180 5.56793 2.44652 -144.57542 790.06242
4140.0000 -150.66000 -144.36174 6.29826 2.46752 -144.24652 809.57094
4145.0000 -151.11184 -144.31807 6.79376 2.45944 -144.37313 766.33017
4150.0000 -148.94136 -142.07542 6.86594 2.53996 -143.11173 821.49786
4155.0000 -151.03078 -144.64441 6.38637 2.54297 -143.06458 862.00541
4160.0000 -150.37851 -143.73608 6.64242 2.49132 -143.87368 838.87790
4165.0000 -150.64726 -144.08491 6.56234 2.51331 -143.52916 832.56918
4170.0000 -149.98033 -142.38917 7.59115 2.55795 -142.82992 854.09021
4175.0000 -148.94630 -143.21048 5.73581 2.54356 -143.05531 822.52710
4180.0000 -150.32369 -143.73212 6.59158 2.52025 -143.42059 848.01903
4185.0000 -150.97146 -144.58602 6.38544 2.43590 -144.74191 813.94930
4190.0000 -149.63070 -143.10565 6.52505 2.47935 -144.06128 817.32263
4195.0000 -150.26281 -143.66045 6.60236 2.51797 -143.45624 809.51966
4200.0000 -149.76090 -142.64482 7.11608 2.49812 -143.76720 803.51436
4205.0000 -149.46409 -143.59177 5.87232 2.52688 -143.31665 835.51162
4210.0000 -151.88661 -144.51858 7.36803 2.48982 -143.89722 835.19673
4215.0000 -151.14588 -144.34231 6.80358 2.43901 -144.69315 780.01837
4220.0000 -149.77429 -143.54575 6.22854 2.46838 -144.23312 773.38809
4225.0000 -150.52108 -144.50200 6.01908 2.46757 -144.24575 788.58791
4230.0000 -151.00378 -144.62420 6.37957 2.42998 -144.83457 739.60235
4235.0000 -152.50775 -145.99407 6.51368 2.41939 -145.00051 758.80232
4240.0000 -152.26073 -144.90999 7.35074 2.34609 -146.14868 697.70784
4245.0000 -150.55911 -144.18809 6.37102 2.41709 -145.03652 794.02418
4250.0000 -149.40615 -143.83780 5.56835 2.47597 -144.11410 810.37019
FREEZING PROCESS: loop number 18 T-loop= 763.00000000000000
main_MD> interactions number 18 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15381 -0.45379 0.98332
force_rgl> df(natom) -6.39626 -4.95543 -3.03574
4255.0000 -151.48773 -144.71757 6.77016 2.45354 -144.46555 779.91429
4260.0000 -152.35836 -146.00366 6.35471 2.39815 -145.33317 757.63675
4265.0000 -150.02924 -144.48164 5.54759 2.42729 -144.87673 765.35037
4270.0000 -150.29592 -144.28401 6.01192 2.47756 -144.08922 803.25621
4275.0000 -150.09802 -143.99926 6.09876 2.50877 -143.60032 795.91239
4280.0000 -150.04885 -143.88012 6.16873 2.48362 -143.99436 808.29213
4285.0000 -151.08053 -143.13408 7.94646 2.54314 -143.06198 849.74316
4290.0000 -150.67783 -146.30596 4.37186 2.40390 -145.24321 732.91527
4295.0000 -151.96990 -146.72933 5.24057 2.30430 -146.80340 636.56169
4300.0000 -151.92489 -146.44163 5.48326 2.36350 -145.87600 723.98607
4305.0000 -149.92279 -142.92820 6.99459 2.42409 -144.92681 783.96840
4310.0000 -150.46404 -144.28714 6.17690 2.51605 -143.48637 818.49770
4315.0000 -151.52733 -145.82878 5.69855 2.39883 -145.32250 788.40348
4320.0000 -152.26621 -145.04967 7.21655 2.37560 -145.68640 770.15217
4325.0000 -151.47658 -145.21043 6.26615 2.42189 -144.96125 784.97651
4330.0000 -152.16424 -146.46470 5.69954 2.33922 -146.25631 704.37950
4335.0000 -150.71713 -144.79751 5.91962 2.39745 -145.34415 745.63330
4340.0000 -151.51716 -145.33714 6.18003 2.41566 -145.05895 753.00908
4345.0000 -150.83177 -145.14098 5.69079 2.39213 -145.42756 729.92157
4350.0000 -151.74612 -146.01452 5.73160 2.37530 -145.69117 724.05947
4355.0000 -152.86299 -146.35024 6.51276 2.30330 -146.81896 674.18646
4360.0000 -152.21017 -147.00267 5.20750 2.31011 -146.71230 673.96221
4365.0000 -151.66653 -146.29548 5.37105 2.30270 -146.82850 697.03420
4370.0000 -151.90051 -146.36877 5.53174 2.35700 -145.97781 702.29370
4375.0000 -152.05202 -145.64440 6.40762 2.37094 -145.75949 754.61526
4380.0000 -151.01120 -143.55087 7.46034 2.45502 -144.44230 797.25434
4385.0000 -149.33864 -143.53441 5.80422 2.53931 -143.12193 814.43223
4390.0000 -151.49239 -145.69005 5.80234 2.42812 -144.86370 764.49625
4395.0000 -150.85671 -144.68847 6.16824 2.43321 -144.78401 797.65511
4400.0000 -150.97720 -145.18700 5.79020 2.41103 -145.13143 755.63996
4405.0000 -149.31870 -143.82283 5.49587 2.42621 -144.89365 761.24152
4410.0000 -149.08947 -142.40006 6.68940 2.55385 -142.89420 847.34366
4415.0000 -151.02094 -144.63666 6.38428 2.46228 -144.32868 764.13992
4420.0000 -150.85451 -143.75228 7.10222 2.46000 -144.36435 800.12612
4425.0000 -151.16736 -145.15934 6.00802 2.42521 -144.90930 753.41715
4430.0000 -152.78755 -145.92325 6.86430 2.39674 -145.35536 740.21156
4435.0000 -152.85176 -146.95975 5.89201 2.33019 -146.39777 702.03625
4440.0000 -153.77251 -147.83340 5.93911 2.28342 -147.13048 684.73416
4445.0000 -153.58172 -147.72376 5.85796 2.22035 -148.11837 660.35928
4450.0000 -152.31754 -146.80976 5.50778 2.29990 -146.87230 678.96091
4455.0000 -150.73512 -144.51513 6.21999 2.39999 -145.30441 754.36206
4460.0000 -150.44560 -144.33242 6.11317 2.45436 -144.45262 777.81288
4465.0000 -150.18418 -144.15797 6.02621 2.49891 -143.75484 842.87369
4470.0000 -151.21456 -145.18462 6.02994 2.50121 -143.71874 814.78074
4475.0000 -151.44924 -146.16244 5.28680 2.41760 -145.02846 748.77709
4480.0000 -150.97763 -144.90400 6.07364 2.41587 -145.05558 760.09447
4485.0000 -151.34868 -145.60869 5.73999 2.38293 -145.57160 724.00289
4490.0000 -149.79828 -143.88552 5.91276 2.43850 -144.70118 775.47665
4495.0000 -151.74343 -144.67311 7.07032 2.45304 -144.47337 782.82030
4500.0000 -150.85043 -144.68384 6.16659 2.40707 -145.19343 761.90830
FREEZING PROCESS: loop number 19 T-loop= 738.00000000000000
main_MD> interactions number 19 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.28924 1.19467 -0.03982
force_rgl> df(natom) -0.35282 -0.72938 -0.26989
4505.0000 -151.69530 -146.89963 4.79568 2.35967 -145.93606 703.48504
4510.0000 -151.22215 -145.01519 6.20695 2.33871 -146.26439 679.53954
4515.0000 -151.61798 -145.46760 6.15039 2.32688 -146.44967 696.56135
4520.0000 -151.26097 -145.55487 5.70610 2.40688 -145.19653 772.44181
4525.0000 -151.23980 -143.66834 7.57146 2.41435 -145.07943 769.23218
4530.0000 -150.47588 -143.97165 6.50423 2.49326 -143.84328 820.56267
4535.0000 -151.88301 -145.84731 6.03570 2.44530 -144.59459 778.22955
4540.0000 -152.57016 -146.98857 5.58159 2.28159 -147.15914 681.78632
4545.0000 -150.55908 -145.66425 4.89482 2.33650 -146.29888 702.91576
4550.0000 -150.64158 -144.90649 5.73509 2.40339 -145.25108 741.11110
4555.0000 -150.95005 -145.28340 5.66664 2.39810 -145.33392 759.81535
4560.0000 -151.61951 -145.73298 5.88653 2.38776 -145.49589 712.64285
4565.0000 -151.28822 -145.54136 5.74686 2.37793 -145.64991 732.96032
4570.0000 -151.11401 -145.69282 5.42120 2.42623 -144.89326 766.27030
4575.0000 -150.62763 -146.04332 4.58431 2.41996 -144.99157 744.87730
4580.0000 -152.26109 -146.39958 5.86151 2.37185 -145.74523 723.42112
4585.0000 -152.68275 -146.62305 6.05970 2.30429 -146.80347 677.00721
4590.0000 -151.37430 -144.58901 6.78529 2.36216 -145.89698 727.84405
4595.0000 -150.76021 -144.34289 6.41732 2.41660 -145.04423 763.85040
4600.0000 -151.30936 -144.77074 6.53862 2.41678 -145.04144 749.57675
4605.0000 -150.60981 -144.92940 5.68040 2.46312 -144.31553 806.05230
4610.0000 -152.14425 -147.28785 4.85641 2.30167 -146.84460 682.11605
4615.0000 -152.55613 -146.28574 6.27039 2.37153 -145.75014 742.54742
4620.0000 -151.68828 -145.96421 5.72407 2.37708 -145.66334 719.76546
4625.0000 -151.24928 -145.74562 5.50366 2.42656 -144.88818 743.54940
4630.0000 -152.60442 -146.88033 5.72409 2.31347 -146.65970 687.86608
4635.0000 -152.23952 -145.41674 6.82278 2.33376 -146.34191 718.78100
4640.0000 -150.60559 -144.65094 5.95465 2.39112 -145.44327 749.61799
4645.0000 -151.25613 -145.08912 6.16701 2.43594 -144.74116 781.65189
4650.0000 -151.62714 -145.03104 6.59610 2.42252 -144.95151 776.20046
4655.0000 -149.97476 -143.18317 6.79159 2.41730 -145.03317 741.41285
4660.0000 -149.95532 -144.18700 5.76832 2.50996 -143.58170 817.55389
4665.0000 -149.09639 -143.90849 5.18791 2.47064 -144.19769 807.12243
4670.0000 -151.43431 -145.20883 6.22548 2.42219 -144.95665 754.47147
4675.0000 -150.90039 -144.28508 6.61531 2.43645 -144.73318 773.51872
4680.0000 -151.20646 -145.20267 6.00379 2.43982 -144.68042 776.07424
4685.0000 -150.77215 -144.87588 5.89627 2.40767 -145.18403 736.70399
4690.0000 -151.32704 -144.95215 6.37489 2.47162 -144.18227 781.51820
4695.0000 -150.91193 -146.26900 4.64294 2.41573 -145.05777 777.31324
4700.0000 -151.20521 -145.89469 5.31051 2.34079 -146.23178 690.78452
4705.0000 -151.33158 -145.45724 5.87435 2.41185 -145.11855 746.07093
4710.0000 -152.17824 -146.02827 6.14997 2.38254 -145.57770 736.54699
4715.0000 -151.88101 -146.05912 5.82190 2.33751 -146.28315 697.29662
4720.0000 -152.03249 -146.15365 5.87884 2.36864 -145.79544 728.86262
4725.0000 -151.57875 -146.03123 5.54752 2.37094 -145.75947 748.51669
4730.0000 -151.30496 -146.55950 4.74545 2.35533 -146.00402 714.19722
4735.0000 -152.24818 -145.93887 6.30931 2.32163 -146.53187 710.31770
4740.0000 -152.23778 -146.78499 5.45279 2.34444 -146.17462 729.60339
4745.0000 -151.48721 -145.62592 5.86130 2.34992 -146.08871 731.14350
4750.0000 -151.84767 -145.84786 5.99981 2.40116 -145.28608 757.77821
FREEZING PROCESS: loop number 20 T-loop= 713.00000000000000
main_MD> interactions number 20 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30515 0.74369 -1.62464
force_rgl> df(natom) -2.57816 1.99974 -0.40932
4755.0000 -150.37914 -144.69935 5.67979 2.40081 -145.29159 740.44017
4760.0000 -152.32304 -145.69514 6.62790 2.37990 -145.61915 745.04569
4765.0000 -152.88497 -147.28055 5.60442 2.35676 -145.98161 729.40591
4770.0000 -152.68017 -147.99003 4.69014 2.25096 -147.63896 656.89287
4775.0000 -152.62106 -148.03248 4.58858 2.28909 -147.04165 677.56571
4780.0000 -152.25609 -147.51913 4.73696 2.24445 -147.74098 632.83923
4785.0000 -151.34871 -145.75183 5.59688 2.31517 -146.63309 662.75963
4790.0000 -151.76721 -145.40917 6.35804 2.39101 -145.44509 749.38499
4795.0000 -152.17146 -146.93304 5.23841 2.33701 -146.29100 688.28488
4800.0000 -152.65128 -147.80469 4.84659 2.32180 -146.52917 707.41972
4805.0000 -152.62256 -146.84726 5.77529 2.27174 -147.31347 666.66206
4810.0000 -153.13394 -146.50973 6.62421 2.30864 -146.73535 681.34128
4815.0000 -152.51685 -147.01064 5.50622 2.30720 -146.75790 692.94135
4820.0000 -152.59094 -146.83610 5.75483 2.29920 -146.88323 688.12858
4825.0000 -151.82278 -147.15744 4.66535 2.32028 -146.55301 689.09928
4830.0000 -153.07387 -146.27284 6.80103 2.30470 -146.79704 688.73520
4835.0000 -151.36855 -145.77233 5.59622 2.33344 -146.34694 670.75424
4840.0000 -151.70771 -146.24579 5.46192 2.35305 -146.03974 702.92489
4845.0000 -151.40892 -146.23932 5.16960 2.35660 -145.98403 727.61012
4850.0000 -152.65842 -146.38968 6.26874 2.29878 -146.88979 707.96551
4855.0000 -151.96579 -146.53837 5.42742 2.30881 -146.73278 688.76631
4860.0000 -152.49888 -145.96406 6.53482 2.33714 -146.28887 712.37597
4865.0000 -153.46518 -147.42405 6.04114 2.32885 -146.41873 706.15850
4870.0000 -152.18698 -146.75766 5.42932 2.29839 -146.89599 649.49719
4875.0000 -151.88340 -145.45242 6.43098 2.31212 -146.68088 671.13831
4880.0000 -151.68204 -145.41654 6.26550 2.42833 -144.86038 784.23927
4885.0000 -151.17436 -146.38342 4.79094 2.36740 -145.81492 750.30951
4890.0000 -151.46296 -146.87383 4.58913 2.31227 -146.67847 685.99504
4895.0000 -152.67364 -148.05744 4.61619 2.25026 -147.64985 645.42251
4900.0000 -152.87128 -148.36947 4.50181 2.20350 -148.38236 603.83028
4905.0000 -152.15148 -146.31460 5.83688 2.26659 -147.39414 621.18607
4910.0000 -151.76136 -145.66539 6.09597 2.33289 -146.35545 703.52809
4915.0000 -151.66892 -146.11837 5.55054 2.37217 -145.74013 760.48359
4920.0000 -150.87257 -145.46675 5.40582 2.35011 -146.08582 707.49922
4925.0000 -151.83493 -146.72387 5.11106 2.36694 -145.82215 707.80987
4930.0000 -152.15344 -145.80790 6.34555 2.34735 -146.12900 697.49720
4935.0000 -153.85613 -147.53528 6.32085 2.37425 -145.70752 742.81519
4940.0000 -152.98660 -148.14507 4.84153 2.21703 -148.17038 641.91754
4945.0000 -153.36369 -148.47278 4.89091 2.22634 -148.02453 641.64648
4950.0000 -154.02670 -148.67856 5.34814 2.18454 -148.67931 610.83736
4955.0000 -151.70277 -146.07451 5.62827 2.29082 -147.01447 680.04436
4960.0000 -152.01629 -146.41215 5.60414 2.36453 -145.85991 736.98930
4965.0000 -151.97669 -147.08196 4.89473 2.35917 -145.94383 710.51501
4970.0000 -152.69102 -147.45781 5.23321 2.29508 -146.94773 659.87795
4975.0000 -152.37568 -146.92614 5.44954 2.26517 -147.41633 653.22052
4980.0000 -152.16654 -147.53248 4.63406 2.27789 -147.21710 686.29168
4985.0000 -152.79271 -147.36647 5.42624 2.24639 -147.71045 660.31543
4990.0000 -152.65745 -146.96770 5.68975 2.30327 -146.81944 701.44491
4995.0000 -150.98825 -145.03736 5.95089 2.32014 -146.55518 700.37983
5000.0000 -152.40183 -146.18647 6.21536 2.39075 -145.44917 754.90019
FREEZING PROCESS: loop number 21 T-loop= 688.00000000000000
main_MD> interactions number 21 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49085 -1.05407 0.35459
force_rgl> df(natom) 1.16670 -0.34286 -1.13895
5005.0000 -152.61705 -147.70842 4.90863 2.30004 -146.87010 701.19137
5010.0000 -153.33563 -147.71120 5.62442 2.26210 -147.46441 656.51459
5015.0000 -152.54142 -146.79842 5.74300 2.28288 -147.13890 661.31863
5020.0000 -151.49483 -146.20631 5.28852 2.32756 -146.43898 688.18513
5025.0000 -152.39114 -146.69043 5.70071 2.29519 -146.94605 694.33481
5030.0000 -151.44379 -146.64900 4.79479 2.29960 -146.87699 698.65275
5035.0000 -153.56318 -147.09087 6.47231 2.28394 -147.12224 672.05520
5040.0000 -152.51720 -147.38621 5.13099 2.29075 -147.01559 684.00864
5045.0000 -153.16712 -147.47478 5.69234 2.26999 -147.34087 665.19521
5050.0000 -152.69111 -146.90152 5.78959 2.27161 -147.31550 662.00013
5055.0000 -152.09315 -146.79285 5.30030 2.35583 -145.99610 755.69651
5060.0000 -150.50665 -145.25931 5.24733 2.31670 -146.60910 665.72821
5065.0000 -150.33784 -145.15175 5.18609 2.43136 -144.81299 772.14532
5070.0000 -151.44583 -145.48421 5.96162 2.38551 -145.53124 734.05595
5075.0000 -152.15420 -145.84702 6.30718 2.37035 -145.76872 756.22443
5080.0000 -154.10941 -148.56608 5.54333 2.27221 -147.30608 672.89465
5085.0000 -153.23605 -148.14795 5.08810 2.21091 -148.26632 613.40911
5090.0000 -152.08076 -146.81785 5.26292 2.28222 -147.14925 665.74502
5095.0000 -151.52673 -146.16939 5.35734 2.31908 -146.57176 698.65194
5100.0000 -151.11997 -145.73921 5.38076 2.37029 -145.76963 728.30744
5105.0000 -152.94317 -147.57761 5.36556 2.34039 -146.23798 712.13806
5110.0000 -152.11660 -146.99993 5.11668 2.22827 -147.99442 636.15408
5115.0000 -152.13723 -146.89800 5.23923 2.30182 -146.84215 675.25326
5120.0000 -153.59189 -148.18270 5.40919 2.24418 -147.74511 640.83369
5125.0000 -151.90302 -146.04958 5.85343 2.31895 -146.57392 711.30358
5130.0000 -152.69148 -146.95728 5.73420 2.35148 -146.06435 711.24925
5135.0000 -151.75905 -146.26819 5.49086 2.27982 -147.18676 685.67952
5140.0000 -151.28945 -144.91114 6.37832 2.34074 -146.23259 700.87244
5145.0000 -152.15963 -145.73767 6.42195 2.41533 -145.06405 783.59506
5150.0000 -152.17561 -146.09992 6.07569 2.37187 -145.74484 749.21004
5155.0000 -151.89822 -146.74131 5.15691 2.33551 -146.31446 691.39353
5160.0000 -151.70635 -146.90454 4.80181 2.28487 -147.10765 660.17436
5165.0000 -152.20739 -146.86621 5.34118 2.30901 -146.72961 675.01130
5170.0000 -151.04840 -146.06234 4.98606 2.32811 -146.43032 678.96567
5175.0000 -151.60654 -146.36733 5.23921 2.35302 -146.04023 696.41449
5180.0000 -151.63311 -146.62800 5.00511 2.34288 -146.19895 701.37948
5185.0000 -152.20507 -147.20187 5.00319 2.27203 -147.30891 665.47722
5190.0000 -152.36537 -147.32813 5.03724 2.28867 -147.04818 652.96615
5195.0000 -150.58393 -145.08291 5.50102 2.34944 -146.09622 700.79993
5200.0000 -151.37841 -146.04719 5.33121 2.38771 -145.49679 735.75566
5205.0000 -152.83201 -147.73180 5.10021 2.28531 -147.10084 676.68591
5210.0000 -152.42965 -147.57045 4.85920 2.28453 -147.11303 663.27264
5215.0000 -153.30321 -147.83594 5.46727 2.25866 -147.51836 649.86462
5220.0000 -153.85355 -147.50462 6.34893 2.25911 -147.51124 672.35799
5225.0000 -154.15615 -149.44112 4.71502 2.19129 -148.57366 606.05779
5230.0000 -153.58213 -147.33860 6.24353 2.20564 -148.34890 638.94020
5235.0000 -154.37249 -148.27466 6.09783 2.23051 -147.95924 659.07461
5240.0000 -154.37820 -148.99236 5.38583 2.21217 -148.24654 631.27490
5245.0000 -152.62186 -146.44999 6.17187 2.24815 -147.68300 652.55057
5250.0000 -153.14263 -147.56202 5.58061 2.33386 -146.34029 704.40173
FREEZING PROCESS: loop number 22 T-loop= 663.00000000000000
main_MD> interactions number 22 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10459 -2.22766 2.94811
force_rgl> df(natom) 0.30704 -1.06846 -2.77095
5255.0000 -152.07574 -147.51951 4.55622 2.27896 -147.20030 674.67890
5260.0000 -151.74054 -146.99476 4.74578 2.27031 -147.33588 659.37677
5265.0000 -153.18174 -147.92328 5.25847 2.27414 -147.27574 688.83526
5270.0000 -152.90291 -147.80887 5.09405 2.23795 -147.84265 635.46651
5275.0000 -151.70803 -146.87270 4.83533 2.27629 -147.24213 664.73072
5280.0000 -152.93174 -147.68129 5.25046 2.30414 -146.80584 677.59998
5285.0000 -152.63278 -147.13214 5.50064 2.26672 -147.39210 659.66638
5290.0000 -152.43478 -147.61082 4.82396 2.27387 -147.28002 686.54335
5295.0000 -152.00416 -147.54224 4.46192 2.30580 -146.77982 663.63506
5300.0000 -152.92581 -147.07323 5.85258 2.30966 -146.71940 689.24784
5305.0000 -152.98112 -147.88778 5.09335 2.24710 -147.69937 636.79263
5310.0000 -153.80178 -148.70276 5.09902 2.22396 -148.06195 644.28510
5315.0000 -152.50023 -147.36235 5.13788 2.23577 -147.87694 646.46234
5320.0000 -152.70211 -147.69007 5.01205 2.30873 -146.73393 695.88900
5325.0000 -152.29623 -146.81214 5.48410 2.29499 -146.94921 689.61141
5330.0000 -153.70081 -148.00905 5.69176 2.25762 -147.53461 662.16158
5335.0000 -152.20472 -146.58133 5.62339 2.25314 -147.60483 636.82751
5340.0000 -152.30334 -145.97577 6.32757 2.33225 -146.36545 717.84428
5345.0000 -151.89280 -146.51464 5.37816 2.28415 -147.11902 670.48258
5350.0000 -152.32263 -146.55950 5.76313 2.30961 -146.72014 686.05647
5355.0000 -152.26397 -146.07670 6.18727 2.34971 -146.09208 713.45266
5360.0000 -153.94012 -148.45010 5.49002 2.28555 -147.09712 687.07539
5365.0000 -153.31727 -148.77293 4.54434 2.20662 -148.33351 617.27033
5370.0000 -153.36710 -148.65237 4.71473 2.17723 -148.79385 580.31395
5375.0000 -152.67156 -147.65899 5.01257 2.25804 -147.52801 651.57009
5380.0000 -153.86413 -148.74931 5.11482 2.18018 -148.74776 596.54287
5385.0000 -152.96506 -147.82867 5.13639 2.19931 -148.44804 626.80461
5390.0000 -154.17089 -149.15612 5.01477 2.22786 -148.00081 644.09478
5395.0000 -152.68957 -148.43524 4.25433 2.18497 -148.67270 604.43759
5400.0000 -152.76623 -147.09679 5.66944 2.23976 -147.81444 650.93307
5405.0000 -153.29272 -147.89370 5.39902 2.28355 -147.12833 678.48847
5410.0000 -152.51398 -147.34789 5.16609 2.26990 -147.34227 651.01133
5415.0000 -151.72898 -146.42790 5.30108 2.27324 -147.28990 655.67638
5420.0000 -151.72055 -145.55534 6.16521 2.34819 -146.11586 705.25260
5425.0000 -153.61857 -148.56293 5.05564 2.26701 -147.38746 700.25948
5430.0000 -155.02818 -150.10667 4.92151 2.17698 -148.79777 635.41621
5435.0000 -153.61481 -149.13407 4.48074 2.08659 -150.21376 545.19031
5440.0000 -153.82341 -148.62827 5.19513 2.16402 -149.00085 583.22067
5445.0000 -152.96516 -147.34537 5.61979 2.18912 -148.60757 604.69336
5450.0000 -153.82073 -148.27307 5.54766 2.21761 -148.16139 622.88253
5455.0000 -153.07675 -147.39880 5.67796 2.22791 -148.00002 630.14839
5460.0000 -153.61818 -148.15614 5.46203 2.21802 -148.15496 628.48150
5465.0000 -153.50505 -149.18898 4.31607 2.16931 -148.91802 620.02041
5470.0000 -153.51477 -148.20282 5.31195 2.20145 -148.41451 639.51309
5475.0000 -153.16242 -147.61037 5.55205 2.25564 -147.56561 689.61657
5480.0000 -153.47338 -148.97077 4.50261 2.18320 -148.70030 608.72466
5485.0000 -152.67287 -146.71430 5.95857 2.21586 -148.18882 614.24093
5490.0000 -153.10747 -148.24451 4.86296 2.26144 -147.47468 665.95462
5495.0000 -153.70802 -149.46749 4.24053 2.22718 -148.01145 646.61237
5500.0000 -153.84017 -149.28849 4.55168 2.14500 -149.29871 554.30475
FREEZING PROCESS: loop number 23 T-loop= 638.00000000000000
main_MD> interactions number 23 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63799 -2.37915 -0.13538
force_rgl> df(natom) -0.29750 -1.35482 -1.00179
5505.0000 -153.15457 -147.96267 5.19190 2.20713 -148.32545 617.92785
5510.0000 -153.14637 -147.94998 5.19639 2.19744 -148.47726 614.36324
5515.0000 -153.31424 -147.70314 5.61110 2.26541 -147.41257 691.62925
5520.0000 -152.94486 -148.32056 4.62430 2.22430 -148.05647 660.38003
5525.0000 -152.87725 -147.81698 5.06027 2.25280 -147.61016 662.90418
5530.0000 -152.49111 -146.27769 6.21342 2.29062 -147.01772 689.98789
5535.0000 -151.49254 -146.94861 4.54393 2.29822 -146.89861 682.08997
5540.0000 -153.58481 -149.02555 4.55926 2.21489 -148.20397 598.67199
5545.0000 -152.58108 -147.52954 5.05154 2.21046 -148.27329 625.85388
5550.0000 -152.41618 -147.90654 4.50964 2.24055 -147.80199 630.14450
5555.0000 -152.59761 -148.03914 4.55847 2.25081 -147.64123 648.94958
5560.0000 -152.44919 -147.33626 5.11293 2.23359 -147.91107 632.96194
5565.0000 -151.09818 -144.98670 6.11148 2.33765 -146.28092 719.91459
5570.0000 -152.20994 -146.77155 5.43839 2.31956 -146.56425 692.27453
5575.0000 -152.71411 -147.38989 5.32422 2.26322 -147.44682 648.89921
5580.0000 -152.76323 -147.90817 4.85506 2.25186 -147.62485 623.47480
5585.0000 -152.34405 -147.49917 4.84488 2.24302 -147.76330 643.61398
5590.0000 -154.35955 -148.04032 6.31924 2.27192 -147.31056 687.73634
5595.0000 -154.24367 -148.50317 5.74051 2.22394 -148.06225 666.07165
5600.0000 -154.25490 -148.69430 5.56060 2.18331 -148.69865 625.60825
5605.0000 -152.88746 -147.91076 4.97670 2.21324 -148.22977 628.28472
5610.0000 -152.53079 -147.47467 5.05612 2.26172 -147.47030 656.90315
5615.0000 -154.59807 -148.99902 5.59905 2.23958 -147.81721 658.41477
5620.0000 -153.94317 -148.72580 5.21737 2.18328 -148.69919 607.60033
5625.0000 -152.50195 -148.00268 4.49926 2.21528 -148.19791 637.82627
5630.0000 -153.25319 -148.24800 5.00519 2.24421 -147.74472 616.41651
5635.0000 -153.56440 -148.88779 4.67661 2.20327 -148.38603 607.25611
5640.0000 -153.70895 -148.55985 5.14910 2.17408 -148.84321 596.05102
5645.0000 -154.07596 -149.43305 4.64292 2.16233 -149.02734 585.11814
5650.0000 -153.87063 -148.74788 5.12275 2.21355 -148.22492 626.40689
5655.0000 -153.37474 -147.71068 5.66406 2.19868 -148.45795 618.96905
5660.0000 -153.07582 -149.01217 4.06365 2.20874 -148.30023 644.42640
5665.0000 -152.60043 -148.13833 4.46210 2.17515 -148.82645 585.44581
5670.0000 -152.69927 -147.06990 5.62936 2.22902 -147.98257 643.88970
5675.0000 -153.40997 -148.63628 4.77369 2.24118 -147.79206 658.53594
5680.0000 -153.94469 -148.32418 5.62052 2.17711 -148.79574 601.31049
5685.0000 -153.01245 -148.72914 4.28330 2.19338 -148.54084 581.85421
5690.0000 -152.78561 -148.12975 4.65586 2.19551 -148.50749 605.33066
5695.0000 -152.90180 -147.42578 5.47602 2.24016 -147.80817 671.57346
5700.0000 -152.97623 -148.86160 4.11463 2.21749 -148.16329 636.91313
5705.0000 -153.77983 -149.11853 4.66130 2.17167 -148.88093 592.10838
5710.0000 -153.70394 -149.56692 4.13703 2.13999 -149.37727 559.61793
5715.0000 -152.29128 -146.76177 5.52951 2.21072 -148.26921 628.49856
5720.0000 -153.40093 -147.98497 5.41596 2.26819 -147.36898 656.33285
5725.0000 -152.77735 -147.55872 5.21862 2.24208 -147.77800 623.37369
5730.0000 -152.31493 -147.74697 4.56796 2.24699 -147.70117 662.93189
5735.0000 -152.11414 -147.51649 4.59766 2.25542 -147.56913 647.97353
5740.0000 -151.82948 -147.36576 4.46373 2.26018 -147.49456 642.90320
5745.0000 -152.37191 -148.00785 4.36406 2.25855 -147.52006 622.47310
5750.0000 -153.46329 -148.66240 4.80089 2.18554 -148.66377 582.04158
FREEZING PROCESS: loop number 24 T-loop= 613.00000000000000
main_MD> interactions number 24 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00882 -0.26423 2.18144
force_rgl> df(natom) -0.31473 1.44889 -0.39689
5755.0000 -152.59014 -149.24020 3.34994 2.17802 -148.78159 583.78920
5760.0000 -153.25577 -149.34236 3.91340 2.15927 -149.07530 575.55896
5765.0000 -154.02254 -148.62185 5.40068 2.13865 -149.39819 582.94933
5770.0000 -153.76753 -148.68482 5.08272 2.18857 -148.61633 611.82884
5775.0000 -152.62399 -148.16351 4.46049 2.19714 -148.48196 576.03662
5780.0000 -152.00530 -147.52854 4.47676 2.23252 -147.92772 616.88927
5785.0000 -153.29025 -148.24468 5.04558 2.21537 -148.19643 623.23715
5790.0000 -153.24107 -148.42104 4.82004 2.17798 -148.78213 592.22503
5795.0000 -153.49536 -148.68049 4.81487 2.17689 -148.79925 612.94931
5800.0000 -154.13067 -148.91313 5.21755 2.18067 -148.74000 610.61751
5805.0000 -152.77722 -147.85969 4.91753 2.20332 -148.38512 617.06662
5810.0000 -153.84636 -147.60077 6.24559 2.27716 -147.22845 681.95001
5815.0000 -151.99298 -146.56897 5.42401 2.27044 -147.33375 647.22396
5820.0000 -151.93799 -146.63152 5.30647 2.29805 -146.90128 676.50582
5825.0000 -153.61145 -147.78035 5.83110 2.21702 -148.17052 602.81631
5830.0000 -152.58790 -148.04953 4.53837 2.22112 -148.10636 637.17273
5835.0000 -152.83740 -148.05438 4.78302 2.23185 -147.93823 635.12810
5840.0000 -153.45595 -148.98390 4.47205 2.19162 -148.56846 583.39766
5845.0000 -153.34911 -147.42106 5.92806 2.18978 -148.59733 594.62539
5850.0000 -152.82894 -147.79018 5.03876 2.24249 -147.77168 625.25610
5855.0000 -153.27666 -147.97487 5.30179 2.21449 -148.21026 608.11257
5860.0000 -153.72639 -148.30887 5.41752 2.22289 -148.07864 648.89715
5865.0000 -153.93249 -149.06546 4.86703 2.17534 -148.82352 597.40036
5870.0000 -153.43929 -148.08753 5.35176 2.18364 -148.69345 602.80655
5875.0000 -153.62070 -148.53824 5.08246 2.19468 -148.52058 606.70007
5880.0000 -152.78470 -147.45581 5.32889 2.18317 -148.70087 598.60858
5885.0000 -153.59421 -147.77211 5.82210 2.26745 -147.38062 684.30267
5890.0000 -153.14959 -147.88857 5.26102 2.25028 -147.64953 657.17034
5895.0000 -153.09050 -148.39067 4.69982 2.18067 -148.74007 582.34653
5900.0000 -155.25066 -150.31224 4.93842 2.13193 -149.50350 586.34843
5905.0000 -153.76438 -148.68661 5.07777 2.13794 -149.40943 603.33132
5910.0000 -153.95183 -148.96931 4.98252 2.16811 -148.93678 606.65546
5915.0000 -152.21376 -148.00515 4.20861 2.16997 -148.90766 585.04304
5920.0000 -152.16035 -147.50585 4.65450 2.23901 -147.82608 620.21751
5925.0000 -154.15605 -149.28568 4.87038 2.23241 -147.92951 625.69666
5930.0000 -153.53768 -148.39216 5.14552 2.20353 -148.38193 611.21839
5935.0000 -154.25623 -149.05747 5.19876 2.18376 -148.69155 634.03723
5940.0000 -153.91427 -149.58750 4.32677 2.16176 -149.03615 601.48394
5945.0000 -154.14854 -149.90455 4.24399 2.10779 -149.88159 540.26814
5950.0000 -154.11301 -148.89809 5.21492 2.12442 -149.62120 558.72559
5955.0000 -155.13549 -150.32019 4.81530 2.12893 -149.55057 559.62113
5960.0000 -153.53429 -148.36991 5.16438 2.14524 -149.29498 591.90635
5965.0000 -153.93153 -149.24583 4.68570 2.15837 -149.08927 619.66572
5970.0000 -153.85602 -148.99408 4.86194 2.13955 -149.38412 603.57335
5975.0000 -153.07219 -147.79206 5.28013 2.22476 -148.04942 647.68839
5980.0000 -153.63629 -149.31226 4.32403 2.14977 -149.22405 559.96466
5985.0000 -154.00714 -149.53275 4.47439 2.12943 -149.54273 549.39976
5990.0000 -153.65000 -148.52451 5.12548 2.13149 -149.51038 568.69911
5995.0000 -153.64216 -148.38761 5.25455 2.20390 -148.37611 634.59508
6000.0000 -152.51091 -147.96904 4.54187 2.22449 -148.05361 659.42742
FREEZING PROCESS: loop number 25 T-loop= 588.00000000000000
main_MD> interactions number 25 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.13321 2.14898 0.52520
force_rgl> df(natom) -1.99375 -0.17297 1.72639
6005.0000 -153.01631 -148.58657 4.42974 2.17578 -148.81653 608.78576
6010.0000 -153.85526 -150.02871 3.82656 2.15846 -149.08794 587.30783
6015.0000 -154.31034 -150.63566 3.67468 2.06490 -150.55355 516.34909
6020.0000 -152.94329 -148.44892 4.49437 2.13539 -149.44937 567.83777
6025.0000 -153.31469 -149.19839 4.11630 2.19464 -148.52120 609.83440
6030.0000 -154.18582 -150.07129 4.11452 2.12505 -149.61128 555.31610
6035.0000 -154.09697 -149.80425 4.29272 2.11169 -149.82063 542.51789
6040.0000 -154.34231 -149.39830 4.94401 2.11098 -149.83175 539.16831
6045.0000 -153.35966 -148.98665 4.37301 2.13678 -149.42750 567.32230
6050.0000 -153.20654 -149.31888 3.88766 2.08475 -150.24258 513.78233
6055.0000 -154.55348 -150.30939 4.24409 2.13716 -149.42152 561.53435
6060.0000 -153.60837 -149.40650 4.20187 2.11292 -149.80137 546.18587
6065.0000 -153.28038 -148.35430 4.92609 2.15934 -149.07412 585.16089
6070.0000 -153.80837 -148.23777 5.57060 2.22238 -148.08670 632.45759
6075.0000 -153.26258 -148.06854 5.19404 2.21542 -148.19570 608.17902
6080.0000 -152.50666 -147.43085 5.07581 2.23300 -147.92023 616.04386
6085.0000 -153.81587 -148.29186 5.52401 2.24082 -147.79770 649.96257
6090.0000 -153.17760 -148.27168 4.90592 2.19365 -148.53666 595.79223
6095.0000 -154.05732 -149.76901 4.28832 2.13549 -149.44771 571.47581
6100.0000 -154.17151 -148.61751 5.55399 2.13811 -149.40670 596.02483
6105.0000 -153.02260 -147.55889 5.46371 2.19811 -148.46674 637.57739
6110.0000 -152.34091 -146.52729 5.81362 2.27498 -147.26271 689.27815
6115.0000 -152.23013 -147.32300 4.90713 2.31679 -146.60768 685.63856
6120.0000 -154.18447 -148.57426 5.61022 2.21696 -148.17155 645.32841
6125.0000 -153.92622 -149.36494 4.56127 2.16330 -149.01212 601.33981
6130.0000 -154.32566 -149.01092 5.31474 2.14088 -149.36338 580.83964
6135.0000 -154.12485 -149.51134 4.61351 2.13195 -149.50319 572.49397
6140.0000 -153.86778 -149.51885 4.34893 2.13157 -149.50923 552.73383
6145.0000 -153.89306 -149.45896 4.43410 2.10683 -149.89670 534.23799
6150.0000 -153.59360 -148.72771 4.86589 2.14601 -149.28288 558.66274
6155.0000 -154.10836 -149.80151 4.30685 2.15524 -149.13836 580.70592
6160.0000 -153.75330 -148.95916 4.79414 2.12617 -149.59375 550.72623
6165.0000 -152.33281 -146.96000 5.37281 2.25675 -147.54829 659.42275
6170.0000 -152.73198 -147.85969 4.87229 2.24197 -147.77978 653.35564
6175.0000 -154.20967 -149.03202 5.17766 2.23091 -147.95297 651.62420
6180.0000 -153.60205 -148.13497 5.46707 2.21301 -148.23343 620.25784
6185.0000 -153.48349 -148.19232 5.29118 2.22234 -148.08721 621.00096
6190.0000 -153.78813 -148.93258 4.85554 2.21592 -148.18782 621.59790
6195.0000 -153.66279 -147.94271 5.72007 2.25191 -147.62409 662.64365
6200.0000 -152.41683 -147.39658 5.02025 2.24737 -147.69512 641.67073
6205.0000 -152.85331 -148.42525 4.42806 2.23908 -147.82507 621.50868
6210.0000 -152.33941 -147.65162 4.68779 2.20700 -148.32752 608.81298
6215.0000 -152.13508 -148.12955 4.00553 2.20612 -148.34140 593.81803
6220.0000 -154.03117 -147.48036 6.55081 2.26571 -147.40794 633.42722
6225.0000 -152.74057 -147.36838 5.37219 2.25041 -147.64761 667.25364
6230.0000 -154.48835 -149.51408 4.97427 2.20980 -148.28369 604.91373
6235.0000 -154.13039 -149.52871 4.60169 2.12869 -149.55421 589.12108
6240.0000 -153.89014 -148.97997 4.91017 2.16502 -148.98516 603.43684
6245.0000 -154.81063 -150.30149 4.50913 2.08891 -150.17738 586.53047
6250.0000 -153.92195 -149.43003 4.49193 2.08366 -150.25965 552.39078
FREEZING PROCESS: loop number 26 T-loop= 563.00000000000000
main_MD> interactions number 26 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.47423 0.89317 0.98132
force_rgl> df(natom) -0.98088 -3.11470 0.52201
6255.0000 -154.82833 -149.41552 5.41281 2.13901 -149.39254 605.75732
6260.0000 -154.33436 -150.18694 4.14742 2.07760 -150.35460 527.67812
6265.0000 -153.74389 -149.11423 4.62965 2.10658 -149.90063 531.63789
6270.0000 -154.31143 -149.24912 5.06230 2.13171 -149.50702 536.41430
6275.0000 -154.05994 -149.48726 4.57267 2.14704 -149.26676 572.59327
6280.0000 -154.17879 -149.98105 4.19774 2.12069 -149.67965 553.55265
6285.0000 -154.07322 -148.36864 5.70457 2.17611 -148.81138 609.78451
6290.0000 -153.42001 -148.94678 4.47323 2.16366 -149.00641 597.86817
6295.0000 -153.67354 -148.92466 4.74888 2.15313 -149.17148 571.91181
6300.0000 -153.58176 -149.51009 4.07167 2.13345 -149.47963 541.13895
6305.0000 -153.24106 -148.49919 4.74187 2.13904 -149.39214 557.41828
6310.0000 -153.69902 -148.74976 4.94926 2.20897 -148.29672 599.90912
6315.0000 -153.83828 -147.90982 5.92846 2.20957 -148.28724 613.00798
6320.0000 -153.33784 -148.61322 4.72461 2.20242 -148.39926 609.09881
6325.0000 -154.29424 -149.37857 4.91567 2.17584 -148.81560 599.50170
6330.0000 -154.01532 -149.36769 4.64763 2.13858 -149.39941 595.86812
6335.0000 -153.47748 -149.36641 4.11107 2.12562 -149.60240 579.43860
6340.0000 -154.64479 -150.18135 4.46344 2.12564 -149.60206 577.06185
6345.0000 -155.11520 -149.88847 5.22673 2.07431 -150.40613 555.76165
6350.0000 -155.12373 -150.48510 4.63863 2.09880 -150.02255 590.84744
6355.0000 -154.20145 -150.24893 3.95252 2.06480 -150.55516 558.21412
6360.0000 -154.03856 -149.73564 4.30292 2.10123 -149.98448 580.39551
6365.0000 -155.10013 -150.69972 4.40042 2.10455 -149.93235 568.70181
6370.0000 -155.45342 -150.97937 4.47405 2.04421 -150.87768 542.98410
6375.0000 -155.52645 -150.82047 4.70597 2.03562 -151.01219 525.67171
6380.0000 -153.56619 -149.63916 3.92703 2.05580 -150.69604 535.49860
6385.0000 -155.05308 -150.69588 4.35721 2.07762 -150.35431 560.07397
6390.0000 -154.96745 -151.00465 3.96280 2.04556 -150.85647 515.58556
6395.0000 -154.87026 -150.28803 4.58223 2.05105 -150.77048 526.49675
6400.0000 -154.88090 -151.11112 3.76978 2.04073 -150.93213 522.92398
6405.0000 -154.64979 -150.15651 4.49327 2.05672 -150.68170 546.49790
6410.0000 -154.73506 -150.20102 4.53403 2.06919 -150.48626 529.61578
6415.0000 -155.10628 -150.32274 4.78354 2.07478 -150.39880 559.98090
6420.0000 -155.01585 -150.92757 4.08828 2.06554 -150.54358 545.87097
6425.0000 -155.09595 -150.65885 4.43710 2.06615 -150.53397 556.11743
6430.0000 -154.88516 -150.84584 4.03932 2.05653 -150.68459 553.85578
6435.0000 -154.95473 -149.92416 5.03057 2.04663 -150.83976 524.52526
6440.0000 -153.27567 -149.37494 3.90073 2.12181 -149.66203 567.64756
6445.0000 -154.75962 -149.68491 5.07471 2.12526 -149.60807 564.11242
6450.0000 -154.23242 -150.39430 3.83812 2.08990 -150.16186 537.26633
6455.0000 -154.07334 -149.80760 4.26573 2.10065 -149.99356 531.86661
6460.0000 -153.30789 -148.05342 5.25447 2.15310 -149.17196 575.90968
6465.0000 -154.14995 -149.34988 4.80008 2.19141 -148.57178 630.78003
6470.0000 -153.19159 -148.76068 4.43091 2.14440 -149.30824 583.24339
6475.0000 -152.33101 -147.09219 5.23882 2.22053 -148.11566 630.65551
6480.0000 -152.66589 -147.51472 5.15117 2.25180 -147.62581 651.64645
6485.0000 -153.91591 -148.96790 4.94801 2.20853 -148.30356 615.42261
6490.0000 -152.95327 -148.59185 4.36142 2.17166 -148.88113 590.39091
6495.0000 -154.09504 -149.96227 4.13277 2.13155 -149.50941 553.45359
6500.0000 -154.14275 -149.73737 4.40538 2.10851 -149.87042 534.96309
FREEZING PROCESS: loop number 27 T-loop= 538.00000000000000
main_MD> interactions number 27 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20954 -0.10768 -4.73487
force_rgl> df(natom) 0.12903 0.67439 -3.10438
6505.0000 -154.14951 -149.91020 4.23931 2.14731 -149.26256 551.50220
6510.0000 -154.54155 -150.12184 4.41971 2.10403 -149.94057 533.97336
6515.0000 -153.91492 -150.29836 3.61656 2.11076 -149.83507 537.89065
6520.0000 -153.37403 -148.76378 4.61025 2.13798 -149.40880 550.64935
6525.0000 -153.73407 -148.70496 5.02911 2.16387 -149.00321 583.32665
6530.0000 -153.66874 -148.90398 4.76476 2.18587 -148.65853 598.63265
6535.0000 -154.23617 -149.29102 4.94515 2.15072 -149.20913 560.74467
6540.0000 -152.79198 -148.42452 4.36746 2.16000 -149.06381 581.03133
6545.0000 -152.68863 -148.17087 4.51776 2.18793 -148.62631 601.05249
6550.0000 -153.48464 -148.70346 4.78118 2.20119 -148.41858 631.74225
6555.0000 -155.07467 -150.34913 4.72554 2.11990 -149.69191 566.07865
6560.0000 -155.16730 -150.70360 4.46370 2.06831 -150.50015 544.81646
6565.0000 -155.49554 -151.01968 4.47585 2.05100 -150.77124 535.70172
6570.0000 -155.84150 -151.78668 4.05482 2.03354 -151.04474 529.47403
6575.0000 -155.73512 -152.80142 2.93370 1.95623 -152.25583 472.69395
6580.0000 -155.69170 -151.40389 4.28781 1.97813 -151.91280 476.86404
6585.0000 -155.49723 -151.05703 4.44020 2.01031 -151.40869 540.15011
6590.0000 -154.87433 -151.05109 3.82324 2.02764 -151.13726 554.32331
6595.0000 -155.78367 -151.32857 4.45510 2.03970 -150.94836 562.26693
6600.0000 -155.91382 -151.57693 4.33689 2.02542 -151.17205 539.60203
6605.0000 -156.71993 -152.92613 3.79380 1.92880 -152.68546 444.10478
6610.0000 -156.14388 -152.39108 3.75280 1.94924 -152.36535 484.63976
6615.0000 -156.01309 -152.41235 3.60074 1.96306 -152.14883 483.97352
6620.0000 -155.68446 -151.73736 3.94711 1.97254 -152.00034 508.58243
6625.0000 -154.94514 -150.39353 4.55161 2.05081 -150.77423 547.68638
6630.0000 -154.90399 -150.65973 4.24427 2.06129 -150.61016 542.71623
6635.0000 -155.54361 -150.66872 4.87488 2.04991 -150.78829 536.46756
6640.0000 -155.25993 -151.48374 3.77619 1.99790 -151.60311 504.37319
6645.0000 -154.51999 -150.84971 3.67028 2.03356 -151.04440 491.63635
6650.0000 -154.62161 -150.17219 4.44942 2.07376 -150.41479 513.08439
6655.0000 -154.37857 -150.98532 3.39325 2.07506 -150.39437 515.28474
6660.0000 -154.66690 -150.63084 4.03606 2.04802 -150.81795 481.19572
6665.0000 -154.76885 -150.49345 4.27541 2.06871 -150.49392 512.44768
6670.0000 -154.12621 -150.11085 4.01536 2.09100 -150.14465 540.02065
6675.0000 -154.66058 -150.51185 4.14873 2.09190 -150.13065 542.58086
6680.0000 -154.59377 -150.35604 4.23772 2.07503 -150.39490 501.01248
6685.0000 -154.55180 -150.32479 4.22702 2.06920 -150.48616 525.63572
6690.0000 -154.77554 -149.97494 4.80060 2.10299 -149.95690 534.62941
6695.0000 -154.98888 -149.85715 5.13173 2.09117 -150.14209 540.25389
6700.0000 -153.59833 -149.77866 3.81967 2.11672 -149.74174 535.76564
6705.0000 -153.90454 -149.53696 4.36758 2.14343 -149.32331 562.76126
6710.0000 -154.28697 -149.93172 4.35524 2.13101 -149.51795 558.59338
6715.0000 -154.44742 -150.57320 3.87422 2.05702 -150.67702 517.35659
6720.0000 -154.86637 -150.36619 4.50019 2.05452 -150.71617 515.68612
6725.0000 -155.29178 -151.34432 3.94746 2.03890 -150.96084 515.94943
6730.0000 -154.42255 -150.64264 3.77991 2.05486 -150.71077 533.74791
6735.0000 -155.17192 -150.81433 4.35759 2.04279 -150.89987 542.63679
6740.0000 -154.49640 -150.49161 4.00479 2.02767 -151.13679 513.73950
6745.0000 -154.79756 -150.97662 3.82095 2.06637 -150.53051 543.69154
6750.0000 -155.56563 -150.32457 5.24106 2.05016 -150.78437 553.43285
FREEZING PROCESS: loop number 28 T-loop= 513.00000000000000
main_MD> interactions number 28 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.64530 -3.11791 -1.57501
force_rgl> df(natom) 0.66085 0.11710 0.51886
6755.0000 -155.45301 -151.51045 3.94256 2.01601 -151.31941 536.43980
6760.0000 -156.27831 -151.73163 4.54668 1.99465 -151.65404 523.22275
6765.0000 -155.44073 -151.52718 3.91354 2.01548 -151.32777 513.89208
6770.0000 -155.57670 -151.61715 3.95955 1.99743 -151.61051 510.10173
6775.0000 -155.88392 -151.96112 3.92280 1.98669 -151.77866 487.10891
6780.0000 -155.16564 -151.63161 3.53404 1.98009 -151.88200 488.19123
6785.0000 -155.01107 -150.29445 4.71662 2.05854 -150.65310 550.77944
6790.0000 -154.09496 -150.33782 3.75714 2.08721 -150.20413 538.13111
6795.0000 -154.84671 -151.80292 3.04378 2.03321 -151.04998 501.20155
6800.0000 -155.56423 -151.37764 4.18659 1.99349 -151.67223 466.54143
6805.0000 -155.10923 -151.20918 3.90005 2.00470 -151.49649 457.74535
6810.0000 -154.31831 -150.20804 4.11027 2.05996 -150.63088 509.13410
6815.0000 -155.41187 -151.34161 4.07026 2.03306 -151.05227 493.17698
6820.0000 -154.88212 -150.29687 4.58525 2.05429 -150.71981 525.44772
6825.0000 -154.94107 -150.60868 4.33239 2.05009 -150.78546 526.49624
6830.0000 -154.42125 -150.22256 4.19869 2.10440 -149.93479 533.49137
6835.0000 -153.70578 -149.47282 4.23296 2.11102 -149.83103 537.41014
6840.0000 -154.53363 -151.08124 3.45239 2.06602 -150.53606 507.65178
6845.0000 -154.78814 -150.41178 4.37635 2.04609 -150.84821 503.65605
6850.0000 -155.00135 -150.95083 4.05052 2.04033 -150.93838 531.83625
6855.0000 -155.07503 -151.45917 3.61585 2.02361 -151.20036 487.73533
6860.0000 -155.52782 -151.42736 4.10046 2.03674 -150.99462 497.30384
6865.0000 -155.98119 -151.82403 4.15716 1.99394 -151.66512 466.80058
6870.0000 -155.46625 -151.91570 3.55056 1.96575 -152.10665 459.42789
6875.0000 -155.05990 -151.13306 3.92684 2.03551 -151.01386 507.25817
6880.0000 -155.10999 -151.11115 3.99884 2.06184 -150.60142 537.23345
6885.0000 -154.26687 -149.86036 4.40651 2.06911 -150.48755 526.31642
6890.0000 -155.27039 -151.17809 4.09231 2.10351 -149.94872 559.59841
6895.0000 -154.55576 -149.83674 4.71902 2.06169 -150.60387 534.89983
6900.0000 -155.07255 -151.38659 3.68595 2.05052 -150.77881 518.74257
6905.0000 -155.64375 -151.58806 4.05569 2.00130 -151.54981 495.79734
6910.0000 -155.82160 -151.32960 4.49200 2.01683 -151.30658 524.54693
6915.0000 -155.08407 -151.28223 3.80184 2.03220 -151.06583 534.56774
6920.0000 -154.50378 -151.19267 3.31110 2.04512 -150.86333 541.14202
6925.0000 -156.33160 -152.38342 3.94818 1.98003 -151.88297 487.61632
6930.0000 -156.39121 -152.78146 3.60975 1.93568 -152.57769 444.53347
6935.0000 -155.31024 -151.50125 3.80898 1.97803 -151.91432 468.36283
6940.0000 -155.25911 -150.29073 4.96838 2.04659 -150.84033 522.39985
6945.0000 -153.95497 -150.15236 3.80261 2.06860 -150.49556 529.82369
6950.0000 -154.44589 -150.86878 3.57712 2.06161 -150.60500 525.91561
6955.0000 -155.19595 -151.08161 4.11434 2.03445 -151.03050 497.20022
6960.0000 -155.22145 -150.99482 4.22663 2.03831 -150.97010 537.84230
6965.0000 -155.01913 -151.01455 4.00458 2.06390 -150.56923 555.36311
6970.0000 -154.37583 -150.60192 3.77391 2.08412 -150.25252 551.16833
6975.0000 -155.51977 -151.45902 4.06075 2.00425 -151.50355 487.04123
6980.0000 -156.20317 -152.45512 3.74805 1.98867 -151.74767 478.56047
6985.0000 -155.91124 -151.82463 4.08661 1.98431 -151.81594 482.82350
6990.0000 -154.76090 -150.80121 3.95969 2.00178 -151.54232 508.57156
6995.0000 -155.50248 -151.30130 4.20117 2.04503 -150.86476 535.95198
7000.0000 -155.80070 -151.35977 4.44093 2.02597 -151.16341 513.50165
FREEZING PROCESS: loop number 29 T-loop= 488.00000000000000
main_MD> interactions number 29 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18023 2.21087 -0.44639
force_rgl> df(natom) 0.11780 2.72826 0.41555
7005.0000 -155.18202 -151.18990 3.99212 2.00443 -151.50077 496.09381
7010.0000 -156.40155 -151.72061 4.68094 2.00368 -151.51261 506.15403
7015.0000 -155.58405 -151.62470 3.95935 1.99238 -151.68948 518.97545
7020.0000 -156.86135 -152.67873 4.18263 1.95308 -152.30519 498.06801
7025.0000 -155.70813 -151.25380 4.45433 1.94930 -152.36436 493.10991
7030.0000 -155.53375 -151.26225 4.27149 2.00936 -151.42359 534.31803
7035.0000 -155.71035 -151.67276 4.03759 2.01061 -151.40401 524.66962
7040.0000 -155.04251 -151.29938 3.74313 1.99719 -151.61427 488.39425
7045.0000 -155.27586 -152.12492 3.15094 2.00348 -151.51563 485.76010
7050.0000 -155.36709 -151.88769 3.47940 1.95415 -152.28843 445.49774
7055.0000 -155.69992 -151.33976 4.36016 1.99214 -151.69331 466.37267
7060.0000 -155.39274 -151.47909 3.91364 2.00637 -151.47045 477.73882
7065.0000 -155.44974 -151.58171 3.86803 2.01976 -151.26071 490.79107
7070.0000 -155.59533 -151.85400 3.74132 1.98112 -151.86593 484.07915
7075.0000 -154.98530 -151.02763 3.95767 2.00054 -151.56166 491.81275
7080.0000 -155.89399 -151.45626 4.43773 1.99314 -151.67769 498.67938
7085.0000 -155.70646 -152.21529 3.49116 1.98723 -151.77017 490.67844
7090.0000 -156.80180 -153.60162 3.20018 1.91536 -152.89602 441.22142
7095.0000 -156.51866 -152.62471 3.89394 1.91645 -152.87896 435.84454
7100.0000 -156.00165 -153.05331 2.94833 1.89768 -153.17307 427.86908
7105.0000 -155.89953 -153.22386 2.67567 1.89746 -153.17642 425.26118
7110.0000 -156.39738 -153.41857 2.97881 1.89838 -153.16213 417.07232
7115.0000 -156.75173 -152.72399 4.02774 1.90238 -153.09941 439.99096
7120.0000 -156.40392 -152.27313 4.13079 1.94239 -152.47270 487.92687
7125.0000 -156.54331 -153.18278 3.36052 1.91154 -152.95592 441.20314
7130.0000 -157.05098 -153.66613 3.38485 1.87147 -153.58357 424.47607
7135.0000 -155.99749 -152.17267 3.82482 1.91286 -152.93520 452.02811
7140.0000 -156.22156 -152.49625 3.72531 1.95701 -152.24357 485.07796
7145.0000 -156.06364 -152.76772 3.29592 1.92948 -152.67492 457.04295
7150.0000 -155.94050 -152.10013 3.84037 1.92959 -152.67314 462.76939
7155.0000 -156.15201 -151.94410 4.20790 1.95834 -152.22286 503.35832
7160.0000 -156.43898 -151.60676 4.83222 1.99197 -151.69594 517.06541
7165.0000 -156.01333 -152.05491 3.95842 1.99634 -151.62755 522.33576
7170.0000 -156.18809 -152.70892 3.47918 1.93506 -152.58743 475.24431
7175.0000 -156.60125 -153.18687 3.41437 1.94176 -152.48257 484.92874
7180.0000 -156.42641 -153.16842 3.25799 1.90561 -153.04880 442.45599
7185.0000 -155.73093 -151.98067 3.75025 1.93351 -152.61173 451.58370
7190.0000 -156.32749 -152.18268 4.14481 1.98359 -151.82717 489.33303
7195.0000 -156.12227 -152.43262 3.68965 1.93668 -152.56204 453.06486
7200.0000 -156.16094 -152.36779 3.79314 1.95668 -152.24887 470.47204
7205.0000 -155.66181 -151.48517 4.17665 2.00505 -151.49116 510.34768
7210.0000 -156.12933 -152.10040 4.02893 1.99422 -151.66072 504.06950
7215.0000 -155.77074 -151.70677 4.06397 1.98605 -151.78878 508.29988
7220.0000 -156.54712 -153.16821 3.37891 1.96589 -152.10450 506.16878
7225.0000 -156.73363 -153.14829 3.58535 1.89888 -153.15421 454.30406
7230.0000 -156.52439 -152.88353 3.64085 1.90115 -153.11864 450.67658
7235.0000 -157.01862 -153.54317 3.47546 1.91258 -152.93957 446.04750
7240.0000 -155.96581 -151.69885 4.26696 1.94344 -152.45624 473.95446
7245.0000 -155.54493 -151.89627 3.64867 1.96323 -152.14616 473.09859
7250.0000 -156.07512 -152.44895 3.62617 1.96737 -152.08136 474.11973
FREEZING PROCESS: loop number 30 T-loop= 463.00000000000000
main_MD> interactions number 30 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72476 -1.40214 1.27991
force_rgl> df(natom) -0.05550 0.40220 1.73891
7255.0000 -156.20909 -152.84954 3.35955 1.92149 -152.80005 445.81929
7260.0000 -156.22233 -153.23254 2.98979 1.91851 -152.84670 432.82830
7265.0000 -155.87880 -152.56124 3.31756 1.91055 -152.97141 425.50569
7270.0000 -155.83720 -152.16321 3.67399 1.93558 -152.57930 447.54554
7275.0000 -156.32662 -152.75462 3.57200 1.93572 -152.57720 448.29276
7280.0000 -155.96154 -152.73879 3.22275 1.91155 -152.95573 421.85636
7285.0000 -156.15229 -152.65710 3.49519 1.93634 -152.56735 453.69755
7290.0000 -156.95832 -153.72448 3.23385 1.90730 -153.02236 428.55355
7295.0000 -156.59960 -152.85695 3.74264 1.87885 -153.46800 436.80797
7300.0000 -156.13034 -152.61861 3.51173 1.92865 -152.68783 469.90347
7305.0000 -157.09884 -153.67323 3.42562 1.91585 -152.88837 453.35818
7310.0000 -156.62684 -153.19936 3.42748 1.86805 -153.63710 419.08373
7315.0000 -156.47965 -153.12866 3.35100 1.89383 -153.23328 440.36932
7320.0000 -156.36172 -152.83484 3.52688 1.92918 -152.67951 465.06512
7325.0000 -156.52292 -152.60224 3.92068 1.90969 -152.98492 455.50775
7330.0000 -156.33750 -153.04115 3.29635 1.92072 -152.81210 446.06525
7335.0000 -156.01205 -152.13098 3.88107 1.92685 -152.71602 443.61789
7340.0000 -156.25493 -152.36624 3.88870 1.93118 -152.64818 462.63481
7345.0000 -157.08745 -153.52901 3.55844 1.93056 -152.65801 467.83716
7350.0000 -157.26024 -153.12445 4.13580 1.87889 -153.46736 425.37042
7355.0000 -156.24993 -152.39777 3.85216 1.92054 -152.81492 464.46324
7360.0000 -155.98701 -152.37969 3.60732 1.94269 -152.46797 487.03328
7365.0000 -156.02325 -152.34544 3.67781 1.94271 -152.46767 465.55722
7370.0000 -156.90573 -153.21855 3.68718 1.94306 -152.46213 472.75926
7375.0000 -156.68815 -153.09309 3.59506 1.90419 -153.07103 448.29351
7380.0000 -156.61525 -152.24095 4.37430 1.91519 -152.89866 463.36686
7385.0000 -156.62874 -153.13530 3.49344 1.95699 -152.24388 493.39494
7390.0000 -156.99077 -153.23376 3.75701 1.90173 -153.10951 445.95624
7395.0000 -156.85432 -153.10404 3.75028 1.89902 -153.15206 445.69104
7400.0000 -156.56587 -152.75985 3.80602 1.90624 -153.03889 440.47843
7405.0000 -155.34070 -152.18252 3.15818 1.95200 -152.32211 481.96194
7410.0000 -155.38000 -151.16879 4.21121 2.00685 -151.46286 518.07387
7415.0000 -155.85096 -152.19643 3.65452 1.98093 -151.86884 471.39689
7420.0000 -156.62582 -152.80669 3.81913 1.91473 -152.90593 409.73544
7425.0000 -156.14872 -152.29265 3.85607 1.92466 -152.75039 420.38243
7430.0000 -155.79737 -152.21807 3.57930 1.93941 -152.51936 442.04061
7435.0000 -156.34744 -152.84718 3.50026 1.93931 -152.52095 456.36426
7440.0000 -156.77412 -153.63834 3.13578 1.87917 -153.46294 399.87709
7445.0000 -155.87453 -152.00657 3.86796 1.93187 -152.63737 444.71945
7450.0000 -155.58037 -151.44856 4.13181 1.99428 -151.65973 488.64448
7455.0000 -154.70187 -150.66949 4.03238 1.99935 -151.58043 476.50090
7460.0000 -155.84513 -151.97897 3.86616 2.01598 -151.31986 504.59551
7465.0000 -155.88405 -152.40631 3.47774 1.93124 -152.64730 426.01196
7470.0000 -155.22488 -151.89276 3.33212 1.95775 -152.23198 464.54436
7475.0000 -155.25015 -151.83132 3.41883 1.99031 -151.72205 463.55631
7480.0000 -155.85777 -152.93306 2.92471 1.95523 -152.27157 440.44646
7485.0000 -156.27460 -152.28318 3.99142 1.91807 -152.85356 400.51302
7490.0000 -155.27670 -151.19041 4.08629 1.98167 -151.85734 461.08407
7495.0000 -154.28887 -150.45801 3.83085 2.06170 -150.60363 495.39104
7500.0000 -154.88689 -151.06605 3.82084 2.01896 -151.27324 456.87111
FREEZING PROCESS: loop number 31 T-loop= 438.00000000000000
main_MD> interactions number 31 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88764 -3.53627 -1.61233
force_rgl> df(natom) -0.22557 -1.24315 -2.20024
7505.0000 -155.54032 -152.65509 2.88523 1.97342 -151.98651 436.12988
7510.0000 -155.94964 -152.66688 3.28277 1.93202 -152.63504 402.01447
7515.0000 -155.12911 -152.01126 3.11785 1.95549 -152.26736 420.22051
7520.0000 -155.08254 -151.59386 3.48867 2.00133 -151.54943 445.84111
7525.0000 -154.80223 -151.05652 3.74570 2.02620 -151.15980 485.88594
7530.0000 -155.54825 -151.07355 4.47469 2.02647 -151.15550 502.38306
7535.0000 -155.59766 -151.45415 4.14351 1.98165 -151.85762 485.19782
7540.0000 -155.44566 -151.97446 3.47119 1.97699 -151.93061 460.49049
7545.0000 -155.73498 -151.29291 4.44208 1.98321 -151.83323 463.94507
7550.0000 -155.78467 -152.11852 3.66614 1.99475 -151.65237 497.95897
7555.0000 -156.48824 -153.71446 2.77377 1.93213 -152.63332 425.50419
7560.0000 -156.65005 -152.72650 3.92355 1.91403 -152.91692 414.09167
7565.0000 -155.76032 -152.26462 3.49570 1.92780 -152.70124 433.26895
7570.0000 -155.81784 -152.28229 3.53555 1.95601 -152.25923 454.62657
7575.0000 -156.37001 -152.38466 3.98536 1.95487 -152.27717 473.72524
7580.0000 -156.06357 -153.10048 2.96309 1.93484 -152.59093 457.80339
7585.0000 -156.72923 -153.24227 3.48696 1.89778 -153.17150 432.45124
7590.0000 -157.11059 -153.55078 3.55982 1.87338 -153.55363 412.56689
7595.0000 -155.70984 -151.70883 4.00100 1.94948 -152.36156 479.47388
7600.0000 -156.68194 -152.83267 3.84927 1.95975 -152.20068 469.46300
7605.0000 -157.13885 -153.29937 3.83947 1.91188 -152.95060 431.14919
7610.0000 -155.11744 -151.32959 3.78785 1.94346 -152.45595 452.97213
7615.0000 -155.72250 -151.93907 3.78343 1.98617 -151.78681 469.40341
7620.0000 -155.86597 -152.23858 3.62739 1.96588 -152.10460 470.19065
7625.0000 -155.98565 -152.00982 3.97583 1.94836 -152.37914 463.42548
7630.0000 -156.77746 -152.46569 4.31177 1.95936 -152.20675 471.82900
7635.0000 -156.36031 -153.27792 3.08239 1.93459 -152.59475 452.48103
7640.0000 -155.55615 -151.57282 3.98332 1.93632 -152.56778 455.64053
7645.0000 -156.88423 -152.42105 4.46318 1.96999 -152.04026 518.90006
7650.0000 -156.94367 -153.85249 3.09118 1.88063 -153.44011 435.33843
7655.0000 -156.56411 -153.18471 3.37940 1.86663 -153.65946 417.18828
7660.0000 -156.69989 -153.88490 2.81499 1.88783 -153.32726 419.43074
7665.0000 -156.09621 -153.00508 3.09114 1.85043 -153.91321 385.36676
7670.0000 -156.15525 -152.79442 3.36083 1.92027 -152.81914 463.34339
7675.0000 -156.58589 -153.02578 3.56011 1.93144 -152.64418 465.62617
7680.0000 -156.92075 -153.25541 3.66534 1.90619 -153.03968 443.66793
7685.0000 -156.83027 -153.53315 3.29712 1.89922 -153.14887 453.05948
7690.0000 -156.70652 -153.39398 3.31254 1.87538 -153.52236 433.48532
7695.0000 -156.90319 -152.93164 3.97154 1.88284 -153.40547 433.31060
7700.0000 -156.35002 -153.29945 3.05057 1.89697 -153.18421 437.84191
7705.0000 -157.07579 -152.93070 4.14508 1.91794 -152.85572 453.72706
7710.0000 -157.41522 -153.26596 4.14926 1.90507 -153.05729 457.52943
7715.0000 -157.57293 -153.96318 3.60975 1.85430 -153.85253 412.72645
7720.0000 -157.14780 -153.71167 3.43613 1.85555 -153.83302 415.54730
7725.0000 -157.24438 -154.38915 2.85523 1.83614 -154.13703 398.46827
7730.0000 -156.98881 -153.49965 3.48916 1.85251 -153.88057 413.39824
7735.0000 -157.07399 -154.06872 3.00527 1.84370 -154.01855 406.73800
7740.0000 -157.46589 -154.29957 3.16631 1.82978 -154.23660 395.02423
7745.0000 -157.57232 -154.20755 3.36477 1.81222 -154.51172 376.55073
7750.0000 -156.72072 -154.09040 2.63032 1.84795 -153.95205 406.37079
FREEZING PROCESS: loop number 32 T-loop= 413.00000000000000
main_MD> interactions number 32 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94583 3.34689 1.66908
force_rgl> df(natom) -0.51813 2.25547 -1.14188
7755.0000 -157.31950 -153.71617 3.60332 1.88142 -153.42768 426.87486
7760.0000 -157.34427 -153.41709 3.92718 1.86203 -153.73142 422.99672
7765.0000 -157.29270 -153.79016 3.50255 1.85801 -153.79447 417.28529
7770.0000 -157.17087 -154.01183 3.15905 1.83235 -154.19642 396.08802
7775.0000 -157.36426 -154.06814 3.29612 1.82837 -154.25879 393.43906
7780.0000 -157.00588 -153.40742 3.59846 1.87586 -153.51477 428.84915
7785.0000 -157.23177 -153.49353 3.73824 1.85640 -153.81962 416.14778
7790.0000 -156.55158 -152.91590 3.63568 1.89069 -153.28258 442.03666
7795.0000 -157.25385 -153.86018 3.39368 1.88265 -153.40850 433.90411
7800.0000 -157.45110 -153.82272 3.62838 1.84120 -154.05778 399.18195
7805.0000 -157.65083 -154.23667 3.41416 1.84798 -153.95152 407.59364
7810.0000 -156.16782 -152.54406 3.62376 1.89139 -153.27160 433.11319
7815.0000 -157.39912 -154.28311 3.11601 1.88554 -153.36326 415.65231
7820.0000 -157.14986 -154.11005 3.03981 1.83847 -154.10060 380.66087
7825.0000 -157.08472 -154.14250 2.94222 1.85227 -153.88442 388.61403
7830.0000 -156.61080 -153.22366 3.38713 1.86123 -153.74394 406.41313
7835.0000 -156.93020 -153.39962 3.53058 1.91001 -152.97990 449.70229
7840.0000 -157.00629 -152.86122 4.14507 1.89974 -153.14075 441.17472
7845.0000 -156.99456 -153.52054 3.47402 1.88758 -153.33118 415.49347
7850.0000 -156.96770 -153.64355 3.32415 1.86275 -153.72021 411.36010
7855.0000 -157.74020 -154.23167 3.50853 1.85894 -153.77995 408.40832
7860.0000 -156.74237 -153.58737 3.15500 1.86152 -153.73945 402.25118
7865.0000 -156.89904 -153.70500 3.19404 1.86338 -153.71029 380.32657
7870.0000 -156.72675 -153.50900 3.21775 1.88541 -153.36526 408.91988
7875.0000 -156.18784 -153.22591 2.96193 1.88402 -153.38695 407.67995
7880.0000 -156.77639 -152.65054 4.12585 1.93696 -152.55765 453.15652
7885.0000 -156.15536 -152.98987 3.16549 1.92156 -152.79901 432.44177
7890.0000 -156.52813 -153.20428 3.32386 1.91955 -152.83049 429.54471
7895.0000 -156.34553 -153.15793 3.18760 1.90369 -153.07884 412.25683
7900.0000 -157.07830 -154.39185 2.68646 1.86128 -153.74317 387.70071
7905.0000 -156.97405 -153.90372 3.07033 1.84672 -153.97125 373.31259
7910.0000 -156.72807 -153.29429 3.43378 1.87102 -153.59065 391.17086
7915.0000 -156.88151 -153.21524 3.66627 1.88266 -153.40828 390.18491
7920.0000 -156.34536 -152.04581 4.29956 1.96425 -152.13015 470.27517
7925.0000 -156.29467 -153.35483 2.93984 1.92348 -152.76883 434.15959
7930.0000 -156.59211 -153.16902 3.42309 1.88470 -153.37631 398.80313
7935.0000 -156.09017 -153.12922 2.96095 1.88772 -153.32899 404.29685
7940.0000 -156.39158 -152.82934 3.56224 1.92662 -152.71968 442.57226
7945.0000 -156.54875 -153.44688 3.10187 1.90040 -153.13043 419.81810
7950.0000 -156.82548 -153.19970 3.62578 1.87887 -153.46772 402.95899
7955.0000 -156.94317 -153.63151 3.31165 1.89426 -153.22667 417.46107
7960.0000 -156.60263 -153.29876 3.30387 1.86486 -153.68707 382.76959
7965.0000 -156.69848 -153.37295 3.32553 1.89055 -153.28472 415.63598
7970.0000 -156.71746 -153.15032 3.56713 1.88601 -153.35584 402.55129
7975.0000 -156.96883 -153.20871 3.76012 1.91420 -152.91419 444.92483
7980.0000 -157.18571 -153.84076 3.34496 1.85075 -153.90813 400.40953
7985.0000 -156.63060 -153.07326 3.55733 1.87086 -153.59319 414.68218
7990.0000 -156.89854 -154.18005 2.71849 1.87658 -153.50357 424.20358
7995.0000 -157.06123 -153.51646 3.54477 1.85025 -153.91601 397.88939
8000.0000 -156.31560 -152.98278 3.33282 1.88722 -153.33693 429.13667
FREEZING PROCESS: loop number 33 T-loop= 388.00000000000000
main_MD> interactions number 33 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10258 3.05968 1.75550
force_rgl> df(natom) -1.38780 -0.85392 0.81459
8005.0000 -156.75874 -153.35441 3.40433 1.89361 -153.23682 429.48818
8010.0000 -157.13867 -153.27779 3.86087 1.86634 -153.66391 415.55835
8015.0000 -157.03078 -153.72160 3.30918 1.86606 -153.66829 407.04461
8020.0000 -156.92387 -154.13192 2.79195 1.85895 -153.77976 399.52283
8025.0000 -156.93022 -153.93619 2.99403 1.83532 -154.14985 387.09575
8030.0000 -157.41795 -153.91610 3.50185 1.84799 -153.95141 399.73122
8035.0000 -157.45317 -154.77255 2.68062 1.82205 -154.35777 376.85658
8040.0000 -157.01509 -154.16446 2.85063 1.81587 -154.45459 367.46674
8045.0000 -157.50865 -154.34824 3.16041 1.82799 -154.26472 379.53601
8050.0000 -157.35144 -154.02676 3.32468 1.82753 -154.27197 378.23825
8055.0000 -157.79483 -154.68590 3.10893 1.85942 -153.77240 410.25732
8060.0000 -157.84343 -154.98842 2.85502 1.79303 -154.81242 347.77341
8065.0000 -157.73088 -154.51134 3.21955 1.80839 -154.57179 365.11029
8070.0000 -157.39192 -154.45535 2.93658 1.80996 -154.54708 364.11114
8075.0000 -157.33010 -154.24460 3.08550 1.83027 -154.22898 381.39378
8080.0000 -157.15418 -153.88836 3.26581 1.84982 -153.92281 396.02999
8085.0000 -157.38556 -154.52167 2.86388 1.84371 -154.01847 385.84589
8090.0000 -157.63386 -154.67671 2.95715 1.83415 -154.16827 384.22157
8095.0000 -157.54059 -154.64090 2.89969 1.81132 -154.52583 366.09561
8100.0000 -157.32191 -153.87433 3.44758 1.81986 -154.39210 372.32721
8105.0000 -157.19697 -154.77099 2.42598 1.82265 -154.34838 366.84650
8110.0000 -157.26853 -155.07350 2.19502 1.78790 -154.89277 340.16162
8115.0000 -157.09472 -154.03129 3.06343 1.81889 -154.40720 371.87444
8120.0000 -156.90774 -153.96660 2.94114 1.87148 -153.58342 423.42619
8125.0000 -157.06358 -153.69343 3.37015 1.85701 -153.81017 409.83118
8130.0000 -156.83876 -153.66287 3.17589 1.86602 -153.66897 413.48987
8135.0000 -157.53354 -154.29250 3.24103 1.84833 -153.94613 397.47863
8140.0000 -156.61960 -153.17101 3.44859 1.86876 -153.62604 413.65727
8145.0000 -157.54504 -154.17099 3.37406 1.85272 -153.87730 403.44780
8150.0000 -158.15459 -154.70872 3.44587 1.84349 -154.02186 395.74486
8155.0000 -157.41047 -154.35296 3.05751 1.81995 -154.39058 372.60735
8160.0000 -157.36962 -154.39911 2.97051 1.82208 -154.35730 374.18273
8165.0000 -157.27514 -153.68579 3.58935 1.86144 -153.74070 410.38603
8170.0000 -156.77904 -153.45631 3.32273 1.87876 -153.46934 426.68833
8175.0000 -157.39642 -154.18727 3.20915 1.87350 -153.55176 409.69159
8180.0000 -157.40359 -154.53797 2.86562 1.83057 -154.22422 384.60126
8185.0000 -157.06668 -154.36945 2.69723 1.82042 -154.38327 370.98806
8190.0000 -156.38513 -152.80027 3.58486 1.87601 -153.51248 414.60579
8195.0000 -156.60559 -153.55128 3.05431 1.90136 -153.11537 447.02959
8200.0000 -156.07619 -153.73001 2.34619 1.85001 -153.91975 400.92768
8205.0000 -156.75246 -153.51793 3.23454 1.85521 -153.83831 404.64933
8210.0000 -157.44032 -153.95752 3.48281 1.85076 -153.90806 402.01081
8215.0000 -157.69575 -154.86420 2.83155 1.81576 -154.45627 375.30524
8220.0000 -156.94138 -153.82413 3.11725 1.83405 -154.16975 386.01870
8225.0000 -157.11570 -154.03363 3.08207 1.84079 -154.06420 394.77056
8230.0000 -157.38548 -153.90384 3.48164 1.83457 -154.16158 387.70699
8235.0000 -156.99899 -153.25143 3.74755 1.87344 -153.55271 417.90136
8240.0000 -156.92808 -153.98221 2.94587 1.85734 -153.80490 400.01379
8245.0000 -156.83095 -153.45306 3.37789 1.86686 -153.65588 416.75680
8250.0000 -156.67044 -153.41128 3.25916 1.87113 -153.58885 412.32360
FREEZING PROCESS: loop number 34 T-loop= 363.00000000000000
main_MD> interactions number 34 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10589 -0.28157 -1.69417
force_rgl> df(natom) -0.67110 -1.67787 1.51364
8255.0000 -157.09953 -154.12044 2.97909 1.85717 -153.80757 390.45746
8260.0000 -157.49734 -153.97759 3.51975 1.84005 -154.07585 395.55166
8265.0000 -157.38685 -154.50597 2.88088 1.83791 -154.10931 396.08352
8270.0000 -158.05413 -155.17820 2.87593 1.79880 -154.72199 355.81167
8275.0000 -157.35225 -154.71206 2.64020 1.77917 -155.02947 331.09721
8280.0000 -157.28960 -154.30391 2.98570 1.82275 -154.34678 376.81670
8285.0000 -156.70871 -154.14693 2.56178 1.83969 -154.08139 389.81454
8290.0000 -157.67960 -154.37189 3.30771 1.82793 -154.26565 380.34567
8295.0000 -157.29257 -154.00586 3.28671 1.82438 -154.32131 376.91370
8300.0000 -157.35685 -154.06541 3.29144 1.84971 -153.92450 402.40708
8305.0000 -157.31468 -154.67650 2.63818 1.80817 -154.57517 364.03180
8310.0000 -157.57495 -154.73247 2.84248 1.78751 -154.89890 344.74386
8315.0000 -157.75932 -154.83495 2.92437 1.79278 -154.81628 347.58108
8320.0000 -157.67179 -154.40612 3.26567 1.79167 -154.83370 348.44707
8325.0000 -157.16750 -154.23376 2.93374 1.80766 -154.58322 362.24082
8330.0000 -157.81918 -154.75543 3.06376 1.80027 -154.69900 356.73612
8335.0000 -157.89591 -154.90564 2.99027 1.78253 -154.97689 342.25274
8340.0000 -157.26909 -153.74970 3.51938 1.84782 -153.95403 397.46476
8345.0000 -157.83614 -154.92141 2.91474 1.82069 -154.37912 375.67722
8350.0000 -157.99746 -154.79992 3.19753 1.79220 -154.82529 355.35032
8355.0000 -157.60906 -154.89311 2.71594 1.78978 -154.86325 344.96218
8360.0000 -157.72946 -154.61487 3.11459 1.82702 -154.27984 379.85190
8365.0000 -157.86406 -154.59763 3.26643 1.79916 -154.71636 354.89432
8370.0000 -156.43333 -153.77449 2.65884 1.83471 -154.15949 378.16978
8375.0000 -157.33977 -154.67809 2.66169 1.81930 -154.40085 371.77562
8380.0000 -157.50233 -154.86932 2.63301 1.80201 -154.67171 358.23424
8385.0000 -157.54420 -154.54425 2.99995 1.78365 -154.95925 334.05144
8390.0000 -157.57534 -154.99652 2.57882 1.79349 -154.80508 350.08167
8395.0000 -157.63371 -154.36083 3.27288 1.80919 -154.55926 365.02052
8400.0000 -157.67383 -154.63834 3.03549 1.81922 -154.40214 371.71944
8405.0000 -157.76995 -154.50868 3.26127 1.80023 -154.69958 361.44465
8410.0000 -157.45463 -155.00416 2.45047 1.80407 -154.63940 361.61948
8415.0000 -157.61325 -154.70863 2.90463 1.77825 -155.04395 336.67231
8420.0000 -157.80474 -154.55280 3.25194 1.80448 -154.63295 358.89652
8425.0000 -157.70377 -155.00602 2.69775 1.78461 -154.94417 340.12256
8430.0000 -157.44825 -154.53515 2.91311 1.81772 -154.42555 378.23123
8435.0000 -156.94990 -153.76388 3.18602 1.83388 -154.17248 389.35970
8440.0000 -156.86959 -153.81948 3.05011 1.85469 -153.84639 401.32026
8445.0000 -157.22431 -154.78790 2.43641 1.82258 -154.34944 372.67603
8450.0000 -157.60026 -154.59439 3.00586 1.78993 -154.86087 342.61851
8455.0000 -157.72588 -154.78611 2.93977 1.81520 -154.46501 367.83037
8460.0000 -157.39314 -154.33702 3.05613 1.82189 -154.36025 370.01886
8465.0000 -157.43453 -154.77303 2.66149 1.82045 -154.38277 369.93807
8470.0000 -157.06652 -153.62900 3.43751 1.81887 -154.40750 369.24664
8475.0000 -157.39202 -154.74056 2.65146 1.82268 -154.34788 366.95926
8480.0000 -158.10007 -155.10168 2.99839 1.78638 -154.91650 340.76041
8485.0000 -156.54751 -153.53741 3.01010 1.81376 -154.48767 367.06896
8490.0000 -158.03832 -154.43528 3.60304 1.84551 -153.99020 395.81564
8495.0000 -157.39959 -154.52765 2.87194 1.80844 -154.57097 347.87075
8500.0000 -157.27060 -154.17701 3.09359 1.80979 -154.54978 359.54930
FREEZING PROCESS: loop number 35 T-loop= 338.00000000000000
main_MD> interactions number 35 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.82433 -2.64701 0.75818
force_rgl> df(natom) -0.03708 -0.56185 -1.69720
8505.0000 -157.41553 -154.77322 2.64231 1.81629 -154.44795 369.67182
8510.0000 -157.74515 -155.32300 2.42215 1.77055 -155.16450 330.18456
8515.0000 -157.21439 -153.92035 3.29404 1.79197 -154.82894 351.82990
8520.0000 -157.80589 -155.09936 2.70653 1.78616 -154.92001 341.63925
8525.0000 -157.94422 -155.22603 2.71818 1.74590 -155.55058 305.39727
8530.0000 -158.02248 -155.34494 2.67754 1.76111 -155.31240 324.42238
8535.0000 -158.03636 -155.14064 2.89572 1.77451 -155.10245 334.50168
8540.0000 -157.89022 -154.96333 2.92689 1.77362 -155.11644 328.89529
8545.0000 -158.05482 -155.36704 2.68778 1.79060 -154.85045 344.31703
8550.0000 -157.60996 -154.92943 2.68053 1.78276 -154.97321 340.55874
8555.0000 -157.96926 -154.95447 3.01479 1.79246 -154.82132 358.47935
8560.0000 -158.38502 -155.86777 2.51725 1.74892 -155.50336 308.08447
8565.0000 -157.93104 -155.52896 2.40208 1.72350 -155.90152 285.26689
8570.0000 -157.10592 -154.57795 2.52797 1.76343 -155.27598 323.46460
8575.0000 -157.25446 -154.62419 2.63027 1.80587 -154.61115 359.45580
8580.0000 -157.73905 -155.09447 2.64458 1.77734 -155.05817 338.29232
8585.0000 -157.80663 -154.67860 3.12803 1.77625 -155.07521 333.33891
8590.0000 -158.06059 -155.14618 2.91441 1.77615 -155.07682 337.07603
8595.0000 -157.23940 -154.72587 2.51353 1.79546 -154.77429 352.97521
8600.0000 -157.29396 -154.14147 3.15249 1.81905 -154.40478 366.94192
8605.0000 -157.95109 -154.99896 2.95213 1.81053 -154.53826 363.41200
8610.0000 -157.87730 -154.61806 3.25924 1.78952 -154.86736 346.62553
8615.0000 -157.59323 -154.87464 2.71859 1.80338 -154.65015 361.33616
8620.0000 -157.62298 -154.99714 2.62584 1.78604 -154.92184 347.29204
8625.0000 -157.66105 -154.93549 2.72556 1.78561 -154.92852 345.04289
8630.0000 -157.76425 -155.46508 2.29918 1.77565 -155.08465 336.66101
8635.0000 -157.89561 -155.11736 2.77825 1.77875 -155.03599 338.95707
8640.0000 -157.85370 -155.15683 2.69687 1.76486 -155.25357 323.59302
8645.0000 -157.94160 -155.38724 2.55436 1.77819 -155.04476 336.37805
8650.0000 -157.89368 -155.51063 2.38305 1.75264 -155.44504 312.63932
8655.0000 -157.77518 -154.83683 2.93835 1.78701 -154.90664 342.04817
8660.0000 -157.60908 -154.71971 2.88937 1.79950 -154.71108 360.44717
8665.0000 -156.99897 -154.10563 2.89333 1.82822 -154.26110 382.31729
8670.0000 -157.40154 -154.58074 2.82080 1.81897 -154.40593 368.31830
8675.0000 -157.51568 -155.19770 2.31798 1.79540 -154.77530 349.48349
8680.0000 -157.91418 -155.10071 2.81347 1.77358 -155.11703 334.82758
8685.0000 -157.63529 -154.51591 3.11938 1.78339 -154.96338 339.97629
8690.0000 -157.80300 -154.50271 3.30029 1.80832 -154.57279 364.17651
8695.0000 -157.29782 -154.05845 3.23937 1.82026 -154.38580 369.54484
8700.0000 -158.24818 -155.41313 2.83505 1.78186 -154.98728 341.99613
8705.0000 -157.68754 -154.81206 2.87548 1.78611 -154.92074 341.89606
8710.0000 -157.96919 -155.29516 2.67403 1.77561 -155.08524 332.47509
8715.0000 -157.24774 -154.83308 2.41465 1.78106 -154.99987 339.58951
8720.0000 -157.93731 -155.50588 2.43143 1.76103 -155.31356 319.33525
8725.0000 -158.28202 -155.80535 2.47667 1.74272 -155.60043 306.72582
8730.0000 -158.14588 -155.50314 2.64274 1.74942 -155.49551 308.71450
8735.0000 -157.89803 -155.18243 2.71560 1.77862 -155.03809 336.31552
8740.0000 -157.36828 -154.50326 2.86502 1.79511 -154.77983 348.87828
8745.0000 -157.37760 -154.38427 2.99333 1.81858 -154.41216 374.86544
8750.0000 -157.71883 -154.96940 2.74943 1.78926 -154.87145 346.37194
FREEZING PROCESS: loop number 36 T-loop= 313.00000000000000
main_MD> interactions number 36 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56093 -0.33071 -1.88385
force_rgl> df(natom) 0.77489 -0.74641 -0.85118
8755.0000 -157.90301 -155.36041 2.54261 1.76788 -155.20638 326.61015
8760.0000 -158.17076 -155.64138 2.52938 1.74110 -155.62579 300.88131
8765.0000 -158.23461 -155.71657 2.51804 1.73742 -155.68353 298.43328
8770.0000 -157.90936 -155.34489 2.56447 1.73497 -155.72184 293.96905
8775.0000 -157.53188 -155.48114 2.05074 1.75706 -155.37577 314.69646
8780.0000 -157.81680 -155.47874 2.33806 1.75209 -155.45366 312.55193
8785.0000 -157.81900 -154.94681 2.87219 1.77528 -155.09047 330.77324
8790.0000 -157.66405 -154.92934 2.73470 1.79803 -154.73409 351.63697
8795.0000 -157.45212 -155.08754 2.36458 1.77687 -155.06553 333.46814
8800.0000 -158.01812 -154.91379 3.10434 1.79121 -154.84090 346.92442
8805.0000 -158.19779 -155.84440 2.35339 1.76030 -155.32500 323.11143
8810.0000 -158.07587 -155.39148 2.68439 1.75591 -155.39379 316.90747
8815.0000 -158.01378 -155.33672 2.67706 1.74843 -155.51095 309.73631
8820.0000 -157.75375 -155.20262 2.55113 1.75845 -155.35406 319.76533
8825.0000 -158.07598 -155.42200 2.65398 1.75600 -155.39247 315.33407
8830.0000 -157.91443 -155.54858 2.36585 1.74342 -155.58946 302.66087
8835.0000 -158.13179 -155.03427 3.09752 1.77042 -155.16653 329.15685
8840.0000 -157.97573 -155.49010 2.48564 1.75840 -155.35483 316.06119
8845.0000 -157.64075 -154.85918 2.78157 1.77012 -155.17128 329.92522
8850.0000 -157.81504 -155.07244 2.74260 1.77180 -155.14486 332.71007
8855.0000 -157.58272 -155.24895 2.33377 1.75314 -155.43729 312.32637
8860.0000 -157.80354 -155.11887 2.68467 1.77597 -155.07966 335.73153
8865.0000 -157.95916 -155.00680 2.95236 1.76493 -155.25261 322.78322
8870.0000 -157.85438 -155.14912 2.70526 1.78405 -154.95301 340.81142
8875.0000 -157.50556 -154.67296 2.83261 1.79160 -154.83477 349.29786
8880.0000 -157.62742 -154.69584 2.93157 1.80654 -154.60076 364.14005
8885.0000 -157.89223 -155.11345 2.77878 1.79690 -154.75176 352.94418
8890.0000 -157.93116 -155.94847 1.98270 1.74151 -155.61941 301.48458
8895.0000 -158.25740 -156.17084 2.08656 1.72606 -155.86139 286.81065
8900.0000 -158.13444 -155.30696 2.82748 1.73170 -155.77312 294.67319
8905.0000 -157.54203 -155.52621 2.01582 1.74082 -155.63017 300.33835
8910.0000 -158.30918 -156.11066 2.19852 1.72792 -155.83229 291.60188
8915.0000 -157.77733 -155.72258 2.05475 1.71820 -155.98462 280.96828
8920.0000 -158.23006 -155.69144 2.53862 1.73041 -155.79334 293.08900
8925.0000 -157.76944 -155.52783 2.24161 1.74825 -155.51390 311.44448
8930.0000 -157.79340 -155.19205 2.60134 1.76575 -155.23962 327.02676
8935.0000 -157.83210 -155.46922 2.36288 1.75799 -155.36128 320.85032
8940.0000 -157.91163 -155.33838 2.57324 1.74446 -155.57326 304.28078
8945.0000 -157.32329 -154.61285 2.71044 1.77467 -155.10000 331.51415
8950.0000 -157.50331 -155.33936 2.16395 1.78275 -154.97338 340.81470
8955.0000 -158.25547 -155.91070 2.34477 1.73268 -155.75767 297.88566
8960.0000 -158.03918 -155.06687 2.97232 1.74139 -155.62122 303.19425
8965.0000 -157.75719 -155.25579 2.50140 1.77301 -155.12599 331.48637
8970.0000 -158.06804 -155.08763 2.98041 1.77112 -155.15554 328.49953
8975.0000 -158.01160 -155.85316 2.15845 1.76385 -155.26941 325.48139
8980.0000 -158.23785 -155.91333 2.32452 1.74712 -155.53161 307.21137
8985.0000 -158.01614 -155.59915 2.41699 1.73885 -155.66115 300.05959
8990.0000 -157.85917 -155.12770 2.73147 1.77432 -155.10544 333.70557
8995.0000 -157.91402 -155.48347 2.43055 1.77196 -155.14244 332.06044
9000.0000 -158.36130 -155.84590 2.51540 1.73666 -155.69546 297.10727
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 2.8905143 [s].
main_MD> Deallocating global variables
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