tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_66/freeze.log

2089 lines
206 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_66.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 = 66 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 66 6600
main_MD> Size of nv and nvoiz: 66 6600
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 = 66
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> 5.1777472431009712E-002 -7.1369304422714247E-002 -0.11019040977632136 initial drift of cluster / NP1 for coalescence
init> 0.35843941248138655 0.35669572395892579 0.32493222009548911 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7837585142496124E-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) 4.79423 2.78246 -0.41678
force_rgl> df(natom) 2.12431 -3.65027 -0.23777
preparo> THERMALIZATION PROCESS AT 1243.8561849114244
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -144.94364902705448 7.5484483844941330 -152.49209741154860 6.5127697573423701E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1217.0000000000000
main_MD> interactions number 1 at Temperature= 1217.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61897 -0.70472 0.05775
force_rgl> df(natom) 0.59392 0.28663 1.01130
5.0000 -152.60195 -143.08199 9.51995 3.08012 -144.39666 1172.08699
10.0000 -153.24630 -142.46313 10.78317 3.22013 -142.11014 1298.20841
15.0000 -150.35348 -140.79240 9.56108 3.27214 -141.26060 1334.58042
20.0000 -154.50597 -143.28728 11.21869 3.16464 -143.01632 1255.63872
25.0000 -155.08456 -145.59725 9.48731 3.05884 -144.74423 1205.50861
30.0000 -156.35308 -147.39980 8.95329 3.00943 -145.55121 1171.61580
35.0000 -156.74710 -148.16332 8.58378 2.94988 -146.52372 1117.39733
40.0000 -156.01818 -144.19389 11.82429 2.96098 -146.34233 1089.02463
45.0000 -156.38589 -146.17847 10.20742 3.01854 -145.40235 1181.07312
50.0000 -155.57276 -147.06153 8.51123 2.98501 -145.94990 1110.83324
55.0000 -153.47379 -143.39128 10.08251 3.01596 -145.44441 1168.70305
60.0000 -153.78583 -142.24399 11.54184 3.20316 -142.38724 1270.75449
65.0000 -153.55795 -141.97979 11.57816 3.15599 -143.15764 1252.24915
70.0000 -152.13894 -141.14888 10.99006 3.26495 -141.37803 1320.12045
75.0000 -152.88542 -142.48837 10.39705 3.18900 -142.61854 1241.29912
80.0000 -155.23600 -143.92296 11.31304 3.11596 -143.81128 1230.06048
85.0000 -153.89050 -144.29343 9.59707 3.07139 -144.53924 1185.37777
90.0000 -155.23897 -143.20678 12.03219 3.18869 -142.62357 1301.68661
95.0000 -151.36166 -140.86804 10.49362 3.21314 -142.22415 1263.86022
100.0000 -153.19046 -141.35263 11.83783 3.28967 -140.97428 1326.26550
105.0000 -155.65431 -145.28459 10.36972 3.23945 -141.79450 1303.06916
110.0000 -155.06286 -144.89048 10.17238 3.05355 -144.83056 1182.17893
115.0000 -156.06500 -147.23299 8.83201 3.02876 -145.23549 1167.38241
120.0000 -155.88736 -147.04169 8.84567 2.96773 -146.23209 1118.63968
125.0000 -156.51689 -146.64079 9.87610 2.91075 -147.16268 1113.81801
130.0000 -153.04833 -141.34430 11.70402 3.12623 -143.64364 1243.60308
135.0000 -154.03428 -142.95281 11.08147 3.23220 -141.91300 1286.97538
140.0000 -154.74442 -143.24574 11.49868 3.11173 -143.88041 1201.10811
145.0000 -152.51803 -140.70131 11.81672 3.23365 -141.88927 1304.14466
150.0000 -154.52507 -141.21645 13.30863 3.29614 -140.86864 1346.28988
155.0000 -154.94480 -142.42481 12.51999 3.34599 -140.05454 1394.69585
160.0000 -154.62777 -142.44123 12.18654 3.21372 -142.21475 1306.33124
165.0000 -152.94894 -142.70393 10.24502 3.19751 -142.47946 1306.80464
170.0000 -154.20400 -142.98424 11.21976 3.11761 -143.78442 1239.83914
175.0000 -154.09693 -144.45924 9.63769 3.08573 -144.30507 1198.38925
180.0000 -154.21034 -142.27423 11.93611 3.17777 -142.80192 1231.06898
185.0000 -155.01498 -145.58965 9.42533 3.10729 -143.95292 1214.59182
190.0000 -154.25265 -143.18013 11.07252 3.14376 -143.35733 1254.50316
195.0000 -153.26660 -143.22082 10.04578 3.16282 -143.04609 1269.14204
200.0000 -152.77938 -142.62899 10.15039 3.20144 -142.41522 1261.54201
205.0000 -154.25924 -143.72203 10.53721 3.13136 -143.55977 1239.09726
210.0000 -155.04480 -146.13809 8.90671 3.20233 -142.40069 1304.95244
215.0000 -156.38036 -146.14097 10.23939 2.95737 -146.40140 1113.36907
220.0000 -155.11207 -145.32544 9.78663 2.98710 -145.91576 1127.21542
225.0000 -153.53913 -142.84187 10.69727 3.15139 -143.23264 1267.49269
230.0000 -152.83184 -142.83212 9.99972 3.21132 -142.25393 1291.47993
235.0000 -152.42868 -142.42882 9.99987 3.21745 -142.15388 1276.84044
240.0000 -155.47228 -142.41145 13.06083 3.17659 -142.82107 1221.74575
245.0000 -155.10491 -143.17740 11.92752 3.16337 -143.03697 1253.15356
250.0000 -152.46183 -142.97499 9.48684 3.14186 -143.38836 1218.18488
FREEZING PROCESS: loop number 2 T-loop= 1192.0000000000000
main_MD> interactions number 2 at Temperature= 1192.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87021 0.72468 -0.41660
force_rgl> df(natom) -0.51140 1.69658 -3.11694
255.0000 -153.79338 -143.02395 10.76943 3.09225 -144.19848 1230.45275
260.0000 -153.70054 -142.85408 10.84646 3.19209 -142.56795 1240.86743
265.0000 -155.66416 -145.28940 10.37475 3.07578 -144.46755 1195.70032
270.0000 -155.00391 -145.54812 9.45579 2.95819 -146.38788 1083.83959
275.0000 -156.70419 -145.69754 11.00665 3.06881 -144.58131 1197.01304
280.0000 -153.61459 -143.41036 10.20423 3.07234 -144.52374 1215.77409
285.0000 -154.50665 -145.79107 8.71558 3.02084 -145.36481 1142.81029
290.0000 -154.53117 -142.68476 11.84641 3.08501 -144.31672 1201.95379
295.0000 -152.06627 -142.29236 9.77391 3.17964 -142.77137 1284.34512
300.0000 -153.27272 -144.10584 9.16688 3.07166 -144.53481 1166.69135
305.0000 -154.36210 -144.59917 9.76293 3.06927 -144.57378 1174.98198
310.0000 -155.22761 -144.08591 11.14169 3.09563 -144.14339 1211.70047
315.0000 -153.87930 -142.06142 11.81788 3.14570 -143.32566 1266.22072
320.0000 -153.06239 -142.00027 11.06211 3.29266 -140.92554 1357.59534
325.0000 -153.00538 -141.48372 11.52166 3.24180 -141.75608 1310.13079
330.0000 -155.29967 -145.77879 9.52088 3.16177 -143.06317 1285.32443
335.0000 -153.88314 -143.15363 10.72952 3.07661 -144.45391 1198.49182
340.0000 -154.14814 -145.22453 8.92360 3.07855 -144.42222 1173.39504
345.0000 -153.45327 -143.88460 9.56867 3.00543 -145.61639 1176.78526
350.0000 -155.24316 -146.62069 8.62247 2.99702 -145.75383 1164.86534
355.0000 -153.02049 -143.79430 9.22620 3.07605 -144.46313 1160.95740
360.0000 -153.56987 -144.24630 9.32356 3.16130 -143.07081 1254.15996
365.0000 -153.80892 -141.30641 12.50250 3.18359 -142.70687 1248.94265
370.0000 -153.19683 -143.10159 10.09524 3.22697 -141.99839 1295.68599
375.0000 -152.55426 -142.63195 9.92231 3.17726 -142.81028 1268.75632
380.0000 -156.05797 -144.77170 11.28627 3.10502 -143.98991 1217.32701
385.0000 -153.47919 -144.65354 8.82565 3.09829 -144.09993 1218.26476
390.0000 -156.22809 -147.55803 8.67006 2.97462 -146.11968 1117.07428
395.0000 -156.43851 -147.07609 9.36243 2.90002 -147.33790 1044.58196
400.0000 -153.64002 -143.78013 9.85988 3.00645 -145.59978 1167.57850
405.0000 -157.50727 -147.69167 9.81560 3.01785 -145.41356 1159.66883
410.0000 -156.06711 -143.23371 12.83340 3.04420 -144.98334 1176.74568
415.0000 -154.73808 -144.36590 10.37218 3.15018 -143.25238 1240.87256
420.0000 -156.85436 -147.65055 9.20381 2.97325 -146.14196 1136.08836
425.0000 -158.01007 -146.83224 11.17784 2.89595 -147.40452 1081.86009
430.0000 -155.30389 -145.19349 10.11040 3.10454 -143.99781 1202.89800
435.0000 -153.51255 -142.65680 10.85575 3.08467 -144.32235 1193.90284
440.0000 -154.71318 -143.36740 11.34578 3.12861 -143.60470 1229.59982
445.0000 -153.48883 -143.16741 10.32142 3.17141 -142.90575 1234.87750
450.0000 -157.28531 -148.82152 8.46379 3.02160 -145.35232 1118.64662
455.0000 -154.01430 -143.26778 10.74653 3.00835 -145.56884 1160.19281
460.0000 -153.53779 -143.64016 9.89763 3.14809 -143.28659 1300.16150
465.0000 -154.12648 -142.83172 11.29476 3.15335 -143.20065 1230.01422
470.0000 -155.65923 -145.90113 9.75810 3.04319 -144.99974 1160.14519
475.0000 -154.78328 -145.32050 9.46279 2.97778 -146.06810 1121.79566
480.0000 -152.63421 -140.47295 12.16126 3.22643 -142.00718 1303.38588
485.0000 -153.98458 -142.63474 11.34984 3.25391 -141.55843 1280.86232
490.0000 -153.79612 -144.32912 9.46701 3.16005 -143.09120 1261.33343
495.0000 -153.40461 -141.64634 11.75827 3.12241 -143.70595 1270.03128
500.0000 -155.38434 -144.83835 10.54599 3.12699 -143.63119 1236.07717
FREEZING PROCESS: loop number 3 T-loop= 1167.0000000000000
main_MD> interactions number 3 at Temperature= 1167.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.56177 -0.94440 3.70017
force_rgl> df(natom) -2.49386 -0.70006 -1.11858
505.0000 -155.23543 -146.59936 8.63607 3.00730 -145.58590 1129.73017
510.0000 -154.02025 -144.11745 9.90280 3.03031 -145.21011 1130.83474
515.0000 -153.14805 -142.47233 10.67572 3.12004 -143.74465 1241.19872
520.0000 -155.32877 -144.71114 10.61762 3.16171 -143.06411 1231.83763
525.0000 -154.59697 -143.39175 11.20522 3.09796 -144.10537 1186.23510
530.0000 -156.64681 -146.88002 9.76679 2.97932 -146.04285 1110.67741
535.0000 -155.10725 -146.68940 8.41784 2.91580 -147.08029 1081.25523
540.0000 -155.87892 -146.07387 9.80505 2.96806 -146.22676 1124.60608
545.0000 -154.87214 -144.23226 10.63987 3.05448 -144.81534 1129.92457
550.0000 -154.53542 -146.32070 8.21472 2.95261 -146.47906 1101.67357
555.0000 -153.25288 -142.26688 10.98600 3.05230 -144.85099 1174.18198
560.0000 -153.71959 -143.15372 10.56587 3.17992 -142.76679 1222.30564
565.0000 -155.07740 -146.54870 8.52871 3.10300 -144.02297 1189.16745
570.0000 -155.15576 -145.49696 9.65880 3.00618 -145.60418 1136.94143
575.0000 -154.25381 -143.40750 10.84631 3.07504 -144.47961 1185.56912
580.0000 -156.11291 -145.94851 10.16440 3.00143 -145.68171 1108.70948
585.0000 -157.08483 -147.75360 9.33123 2.97026 -146.19088 1125.74228
590.0000 -158.08205 -147.72095 10.36110 2.86351 -147.93427 1057.42666
595.0000 -154.74769 -143.80085 10.94684 3.06112 -144.70698 1191.05502
600.0000 -155.61095 -147.25048 8.36047 3.07741 -144.44095 1179.82514
605.0000 -155.94103 -146.91778 9.02325 2.96074 -146.34629 1106.46400
610.0000 -154.67652 -143.80208 10.87444 3.04743 -144.93052 1194.43774
615.0000 -155.22782 -144.69586 10.53196 3.10484 -143.99301 1244.44397
620.0000 -154.58917 -144.03648 10.55269 2.99754 -145.74525 1144.76623
625.0000 -156.49724 -147.08829 9.40895 3.04689 -144.93929 1165.93547
630.0000 -155.69764 -145.68345 10.01419 2.97882 -146.05108 1125.39492
635.0000 -154.92064 -145.97257 8.94807 2.98076 -146.01934 1138.31949
640.0000 -156.70465 -145.99507 10.70958 3.01849 -145.40323 1173.09493
645.0000 -155.10251 -143.43092 11.67159 3.04564 -144.95969 1213.16756
650.0000 -151.23921 -143.56206 7.67715 3.17820 -142.79488 1254.12587
655.0000 -155.46701 -144.59207 10.87494 3.11834 -143.77249 1184.83330
660.0000 -153.95081 -143.28232 10.66850 3.10913 -143.92294 1231.18876
665.0000 -154.65162 -144.79275 9.85887 3.06190 -144.69420 1148.31580
670.0000 -153.81420 -142.94853 10.86568 3.09738 -144.11470 1206.63716
675.0000 -155.10275 -144.48692 10.61583 3.14132 -143.39721 1185.45208
680.0000 -157.71555 -147.61587 10.09968 2.95869 -146.37982 1121.53144
685.0000 -156.49917 -146.16571 10.33346 2.96372 -146.29763 1111.42101
690.0000 -157.62871 -147.78501 9.84370 2.95213 -146.48690 1101.05905
695.0000 -156.84638 -148.09543 8.75095 2.82078 -148.63209 1006.44669
700.0000 -156.62151 -146.61751 10.00400 2.90540 -147.25005 1063.36649
705.0000 -155.10696 -142.96274 12.14422 3.10847 -143.93367 1236.05098
710.0000 -154.94868 -145.62963 9.31904 3.02874 -145.23575 1162.00117
715.0000 -156.36398 -145.41657 10.94741 3.03502 -145.13320 1148.91289
720.0000 -154.17793 -145.05136 9.12657 3.05389 -144.82502 1186.36637
725.0000 -153.44694 -142.29165 11.15529 3.05295 -144.84043 1182.70919
730.0000 -153.64215 -144.33850 9.30365 3.16212 -143.05746 1256.55927
735.0000 -154.76877 -145.51013 9.25864 3.02849 -145.23987 1163.57353
740.0000 -155.18104 -146.12500 9.05604 2.93841 -146.71103 1109.39913
745.0000 -155.74102 -146.71663 9.02439 2.92635 -146.90803 1121.87457
750.0000 -156.23088 -148.40806 7.82282 2.83513 -148.39777 1012.14660
FREEZING PROCESS: loop number 4 T-loop= 1142.0000000000000
main_MD> interactions number 4 at Temperature= 1142.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58258 2.67525 2.05227
force_rgl> df(natom) 0.09266 -0.98884 -1.92456
755.0000 -155.29137 -146.17929 9.11207 2.91211 -147.14048 1060.19394
760.0000 -156.36937 -147.49748 8.87189 2.92081 -146.99844 1122.15643
765.0000 -155.82981 -145.79874 10.03106 2.93121 -146.82853 1092.41584
770.0000 -154.18323 -145.51461 8.66861 2.97150 -146.17055 1112.37005
775.0000 -157.07482 -145.68844 11.38637 2.94209 -146.65090 1080.73519
780.0000 -154.84026 -145.38998 9.45028 3.03412 -145.14792 1163.09396
785.0000 -156.83873 -147.21459 9.62414 2.97235 -146.15671 1133.50332
790.0000 -154.52313 -143.70698 10.81615 3.01344 -145.48571 1145.00921
795.0000 -154.88812 -144.35304 10.53508 2.95638 -146.41748 1133.94370
800.0000 -154.57367 -145.48733 9.08635 3.02418 -145.31031 1155.11119
805.0000 -156.33936 -145.88536 10.45399 2.98483 -145.95287 1116.40514
810.0000 -153.66353 -144.52255 9.14098 2.96285 -146.31179 1086.66028
815.0000 -155.16510 -145.69431 9.47079 3.06906 -144.57727 1186.09335
820.0000 -155.42291 -144.25663 11.16628 3.07426 -144.49229 1175.92551
825.0000 -155.38365 -146.17097 9.21267 3.04180 -145.02253 1157.76389
830.0000 -153.33317 -143.09404 10.23913 3.10003 -144.07143 1209.18624
835.0000 -155.93138 -145.73162 10.19976 3.09134 -144.21334 1203.43284
840.0000 -156.37085 -145.12417 11.24669 3.02361 -145.31959 1169.89468
845.0000 -155.16698 -146.32459 8.84239 3.00595 -145.60802 1136.92296
850.0000 -156.83937 -146.47530 10.36407 2.97471 -146.11817 1117.90838
855.0000 -157.03674 -147.78902 9.24772 2.93644 -146.74318 1120.14839
860.0000 -155.86759 -145.47651 10.39108 2.94738 -146.56451 1125.51761
865.0000 -154.34808 -144.24248 10.10560 3.07209 -144.52783 1193.92260
870.0000 -154.01169 -144.74957 9.26212 3.05252 -144.84736 1179.35205
875.0000 -154.96369 -142.29363 12.67005 3.13130 -143.56086 1235.00890
880.0000 -154.39500 -144.85727 9.53773 3.12538 -143.65751 1259.41984
885.0000 -154.24338 -143.96132 10.28206 3.03178 -145.18617 1168.21512
890.0000 -154.88337 -144.74718 10.13619 3.11009 -143.90717 1209.14812
895.0000 -155.14769 -145.41013 9.73756 3.01998 -145.37889 1161.52175
900.0000 -156.34018 -143.76724 12.57294 3.04228 -145.01465 1193.79134
905.0000 -154.93195 -145.39467 9.53728 3.04166 -145.02474 1166.86464
910.0000 -156.50961 -147.10471 9.40490 2.97090 -146.18037 1091.37671
915.0000 -156.42977 -146.65413 9.77564 2.94144 -146.66145 1092.73718
920.0000 -156.06972 -145.80773 10.26199 2.97089 -146.18058 1138.99519
925.0000 -155.47055 -145.54364 9.92692 2.97128 -146.17419 1145.24949
930.0000 -154.72701 -145.95624 8.77077 2.92746 -146.88989 1096.85242
935.0000 -153.18433 -144.79655 8.38778 3.03610 -145.11553 1157.54744
940.0000 -155.75160 -146.35437 9.39722 3.02795 -145.24862 1134.25906
945.0000 -155.43223 -146.93972 8.49251 2.97251 -146.15413 1075.88990
950.0000 -155.15316 -146.57527 8.57789 2.96201 -146.32564 1098.52638
955.0000 -154.58634 -144.23032 10.35601 3.03436 -145.14399 1162.37192
960.0000 -154.50126 -143.51438 10.98688 3.10556 -143.98119 1195.89370
965.0000 -153.50212 -143.84252 9.65960 3.09555 -144.14460 1231.72773
970.0000 -151.80277 -141.32939 10.47339 3.22165 -142.08522 1258.40432
975.0000 -157.09752 -146.86610 10.23142 3.07095 -144.54638 1201.71235
980.0000 -157.37913 -148.00720 9.37193 2.85879 -148.01139 1039.04711
985.0000 -155.66004 -146.31331 9.34673 2.89978 -147.34191 1076.35385
990.0000 -155.95644 -146.10801 9.84843 3.03854 -145.07575 1167.00607
995.0000 -156.93511 -146.40406 10.53105 3.00443 -145.63284 1132.77928
1000.0000 -155.92644 -145.42532 10.50113 2.93708 -146.73266 1111.39570
FREEZING PROCESS: loop number 5 T-loop= 1117.0000000000000
main_MD> interactions number 5 at Temperature= 1117.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.97174 -1.09670 -2.70297
force_rgl> df(natom) 1.15303 -3.43604 0.20068
1005.0000 -156.06438 -144.22715 11.83723 3.07184 -144.53193 1169.92178
1010.0000 -155.39676 -145.72187 9.67489 3.05230 -144.85096 1152.65614
1015.0000 -155.17393 -145.68952 9.48441 3.01608 -145.44250 1153.86653
1020.0000 -154.94432 -148.00200 6.94232 2.95326 -146.46852 1119.64163
1025.0000 -156.39593 -147.40602 8.98990 2.91156 -147.14950 1056.74826
1030.0000 -156.24064 -146.06216 10.17848 2.89836 -147.36501 1038.09656
1035.0000 -155.28373 -146.00527 9.27846 2.99757 -145.74490 1163.43506
1040.0000 -154.12336 -144.22351 9.89985 3.04908 -144.90353 1170.96187
1045.0000 -156.70746 -145.57116 11.13630 3.08957 -144.24233 1228.37331
1050.0000 -154.75380 -145.76801 8.98579 2.98086 -146.01773 1135.87649
1055.0000 -156.41225 -146.81506 9.59719 2.99214 -145.83350 1160.04889
1060.0000 -158.16219 -147.80759 10.35461 2.90403 -147.27243 1082.15248
1065.0000 -155.47790 -147.45376 8.02413 2.86768 -147.86619 1036.18754
1070.0000 -157.13427 -148.06565 9.06861 2.87602 -147.72990 1029.65886
1075.0000 -155.53122 -145.40213 10.12909 2.97933 -146.04274 1092.08955
1080.0000 -156.52759 -147.24547 9.28212 2.99003 -145.86799 1129.49916
1085.0000 -155.08498 -145.72249 9.36250 2.94627 -146.58268 1108.79913
1090.0000 -156.29550 -147.64308 8.65243 2.92995 -146.84909 1083.99722
1095.0000 -156.93487 -146.77318 10.16169 2.90442 -147.26618 1053.18409
1100.0000 -158.15715 -149.95526 8.20189 2.87476 -147.75056 1020.67388
1105.0000 -158.87380 -151.15067 7.72312 2.75326 -149.73474 965.25703
1110.0000 -158.82641 -150.55944 8.26697 2.74927 -149.79993 958.35206
1115.0000 -158.51190 -148.14374 10.36816 2.70616 -150.50405 954.07737
1120.0000 -158.45491 -148.16979 10.28512 2.78123 -149.27799 980.67726
1125.0000 -155.56992 -146.75865 8.81127 2.90388 -147.27488 1080.20888
1130.0000 -155.86416 -147.96198 7.90218 2.86966 -147.83381 1035.50664
1135.0000 -155.76595 -146.34955 9.41640 2.90447 -147.26524 1060.66599
1140.0000 -155.58249 -146.41706 9.16543 2.94467 -146.60883 1121.70063
1145.0000 -155.79428 -145.21547 10.57881 3.00145 -145.68138 1142.20188
1150.0000 -155.52540 -145.69517 9.83023 2.99375 -145.80724 1136.01541
1155.0000 -156.14065 -146.58489 9.55576 3.03354 -145.15730 1179.85069
1160.0000 -154.20364 -144.59664 9.60700 3.09340 -144.17973 1204.90763
1165.0000 -156.02388 -146.94578 9.07810 3.06293 -144.67743 1190.98041
1170.0000 -156.39462 -147.57166 8.82296 2.93765 -146.72341 1078.37598
1175.0000 -157.36465 -148.15034 9.21431 2.91108 -147.15728 1084.51912
1180.0000 -156.76486 -147.53289 9.23197 2.86221 -147.95542 1023.99352
1185.0000 -157.70767 -146.15292 11.55475 2.97808 -146.06312 1163.53476
1190.0000 -156.65476 -147.30447 9.35029 2.87997 -147.66541 1072.97496
1195.0000 -155.70220 -146.37258 9.32962 2.94498 -146.60368 1118.68865
1200.0000 -156.31011 -145.00637 11.30375 3.00398 -145.64011 1124.02982
1205.0000 -152.06074 -141.60377 10.45697 3.14666 -143.30988 1251.82412
1210.0000 -152.26257 -143.31378 8.94878 3.22151 -142.08759 1264.99495
1215.0000 -153.73385 -145.17681 8.55704 3.07645 -144.45659 1138.42676
1220.0000 -154.05704 -145.25634 8.80070 2.99741 -145.74741 1130.41946
1225.0000 -155.01584 -145.04086 9.97497 3.04843 -144.91424 1132.06497
1230.0000 -154.46560 -145.54929 8.91631 3.04756 -144.92839 1153.68014
1235.0000 -156.54555 -148.12366 8.42189 2.94609 -146.58553 1072.83779
1240.0000 -158.23217 -148.93097 9.30120 2.84282 -148.27217 1042.71673
1245.0000 -154.63730 -146.65113 7.98617 2.85023 -148.15117 1044.25313
1250.0000 -156.65351 -146.53665 10.11686 2.94701 -146.57047 1132.47194
FREEZING PROCESS: loop number 6 T-loop= 1092.0000000000000
main_MD> interactions number 6 at Temperature= 1092.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.58424 2.75069 -0.63931
force_rgl> df(natom) 1.04732 7.70485 11.81747
1255.0000 -156.22809 -147.72302 8.50507 2.95382 -146.45934 1093.15282
1260.0000 -157.04245 -148.88460 8.15785 2.86061 -147.98159 1046.01682
1265.0000 -158.12400 -149.80433 8.31967 2.81013 -148.80607 983.53563
1270.0000 -157.94922 -147.64987 10.29935 2.80781 -148.84389 1021.13517
1275.0000 -154.72440 -146.87951 7.84488 2.88315 -147.61356 1028.75160
1280.0000 -155.90407 -146.44797 9.45611 2.92004 -147.01098 1056.32619
1285.0000 -155.68238 -145.68787 9.99452 3.00103 -145.68838 1091.91817
1290.0000 -154.79548 -145.60941 9.18607 2.96938 -146.20525 1114.01983
1295.0000 -154.90618 -146.49903 8.40715 2.98158 -146.00602 1154.82700
1300.0000 -155.37248 -145.34048 10.03199 2.98624 -145.92983 1131.19278
1305.0000 -156.06761 -146.29428 9.77334 3.03487 -145.13559 1173.75157
1310.0000 -155.73206 -145.71855 10.01352 2.95578 -146.42725 1119.01633
1315.0000 -156.77948 -148.16102 8.61846 2.83996 -148.31879 1042.80874
1320.0000 -156.58822 -149.18234 7.40588 2.81870 -148.66598 997.17629
1325.0000 -155.41757 -146.31447 9.10310 2.84096 -148.30260 1055.87026
1330.0000 -153.38600 -142.54667 10.83934 3.15105 -143.23817 1238.90101
1335.0000 -154.80403 -144.55198 10.25205 3.18706 -142.65012 1258.52437
1340.0000 -156.77890 -146.07801 10.70090 3.08134 -144.37667 1168.91383
1345.0000 -156.15019 -146.69408 9.45610 2.98832 -145.89588 1133.82010
1350.0000 -155.98243 -146.25353 9.72890 2.91048 -147.16721 1099.64877
1355.0000 -155.80437 -145.89899 9.90538 2.98210 -145.99751 1089.10555
1360.0000 -156.12286 -147.14715 8.97571 2.92946 -146.85713 1094.28978
1365.0000 -155.96880 -145.96929 9.99950 3.01348 -145.48507 1134.56978
1370.0000 -154.99552 -146.03233 8.96319 3.02657 -145.27129 1095.68013
1375.0000 -155.94411 -144.83908 11.10503 3.00402 -145.63950 1139.90221
1380.0000 -156.48937 -146.59060 9.89877 2.92398 -146.94669 1093.74225
1385.0000 -155.39935 -146.88547 8.51388 2.96638 -146.25424 1109.14651
1390.0000 -157.65485 -148.83166 8.82318 2.92085 -146.99784 1066.23468
1395.0000 -157.89519 -148.43336 9.46183 2.82977 -148.48529 1044.37332
1400.0000 -156.61858 -147.28201 9.33657 2.90660 -147.23046 1110.11027
1405.0000 -155.36649 -147.65151 7.71498 2.89851 -147.36262 1047.91781
1410.0000 -154.99273 -145.69158 9.30115 2.96914 -146.20906 1117.41344
1415.0000 -157.35538 -148.83032 8.52505 2.91217 -147.13951 1118.38112
1420.0000 -156.62200 -147.41577 9.20623 2.87379 -147.76635 1051.42248
1425.0000 -157.74020 -147.95004 9.79016 2.85227 -148.11780 1048.92205
1430.0000 -157.20169 -146.82397 10.37772 2.85579 -148.06029 1052.58798
1435.0000 -156.00122 -147.46107 8.54015 2.95899 -146.37492 1126.07711
1440.0000 -155.31442 -146.23181 9.08261 2.89507 -147.41878 1040.52256
1445.0000 -157.25952 -146.95946 10.30005 2.97075 -146.18290 1109.53339
1450.0000 -156.25031 -147.45717 8.79313 2.89404 -147.43566 1090.20822
1455.0000 -156.45350 -148.27339 8.18011 2.86542 -147.90297 1059.37550
1460.0000 -154.88157 -146.05763 8.82393 2.83975 -148.32232 1011.42537
1465.0000 -155.83575 -143.44765 12.38810 3.02444 -145.30607 1163.30272
1470.0000 -156.15363 -146.80634 9.34729 3.04564 -144.95984 1219.11152
1475.0000 -155.71995 -145.43678 10.28317 3.02777 -145.25164 1162.20135
1480.0000 -156.75094 -145.97146 10.77948 2.90518 -147.25375 1080.52696
1485.0000 -154.82379 -146.02317 8.80063 3.02433 -145.30785 1173.13292
1490.0000 -156.44241 -147.40883 9.03358 2.96585 -146.26280 1098.65549
1495.0000 -155.71908 -147.21670 8.50238 2.87533 -147.74118 1050.87160
1500.0000 -156.11424 -145.97451 10.13973 2.95993 -146.35950 1103.77497
FREEZING PROCESS: loop number 7 T-loop= 1067.0000000000000
main_MD> interactions number 7 at Temperature= 1067.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16573 1.73082 -3.01217
force_rgl> df(natom) -0.80508 -0.47036 -0.46876
1505.0000 -154.90497 -144.70691 10.19806 3.01641 -145.43716 1146.94830
1510.0000 -155.74432 -145.87693 9.86739 2.99729 -145.74943 1134.05032
1515.0000 -155.44247 -145.72148 9.72100 2.97920 -146.04488 1134.24608
1520.0000 -155.73909 -145.65208 10.08701 3.01968 -145.38371 1108.78843
1525.0000 -157.77158 -149.57881 8.19276 2.88248 -147.62443 1090.97688
1530.0000 -157.77046 -148.32595 9.44451 2.72831 -150.14226 953.37110
1535.0000 -158.24409 -148.10804 10.13605 2.84934 -148.16568 1045.60861
1540.0000 -156.31557 -147.59257 8.72300 2.86002 -147.99131 1051.29239
1545.0000 -156.62951 -146.74546 9.88405 2.84556 -148.22736 1020.28822
1550.0000 -155.88113 -147.00258 8.87855 2.95702 -146.40713 1112.62657
1555.0000 -156.23317 -145.99183 10.24134 2.90955 -147.18234 1050.30904
1560.0000 -153.96725 -145.51807 8.44918 2.98619 -145.93063 1132.38325
1565.0000 -156.57997 -146.85561 9.72435 2.92992 -146.84968 1082.65138
1570.0000 -157.20870 -149.26634 7.94236 2.90932 -147.18603 1054.53055
1575.0000 -156.96997 -148.73254 8.23743 2.83073 -148.46967 1007.72133
1580.0000 -157.06825 -150.02811 7.04013 2.77546 -149.37228 932.96603
1585.0000 -157.47084 -148.53043 8.94041 2.79864 -148.99362 998.16682
1590.0000 -156.87956 -148.83298 8.04658 2.88732 -147.54531 1090.04498
1595.0000 -157.85329 -148.64961 9.20368 2.80770 -148.84568 1017.83926
1600.0000 -158.00242 -148.87598 9.12645 2.83164 -148.45472 1020.11716
1605.0000 -156.78779 -147.70435 9.08344 2.85301 -148.10565 1051.25952
1610.0000 -155.91373 -146.90486 9.00887 2.85721 -148.03708 1045.37176
1615.0000 -155.39337 -146.97340 8.41997 2.96894 -146.21247 1140.79949
1620.0000 -156.72254 -146.50037 10.22217 2.92416 -146.94372 1103.49957
1625.0000 -155.49516 -147.96052 7.53464 2.90965 -147.18071 1046.12472
1630.0000 -158.02457 -149.95495 8.06962 2.76370 -149.56425 947.42197
1635.0000 -159.15518 -151.13730 8.01788 2.68317 -150.87942 904.92233
1640.0000 -157.23140 -147.71467 9.51674 2.82544 -148.55605 1058.47226
1645.0000 -155.39606 -148.29267 7.10339 2.84677 -148.20759 1016.93601
1650.0000 -156.37076 -146.71728 9.65348 2.87395 -147.76377 1045.38123
1655.0000 -156.02196 -146.22606 9.79591 2.89872 -147.35916 1064.13886
1660.0000 -154.06005 -144.95591 9.10414 3.00843 -145.56754 1163.82092
1665.0000 -155.47919 -147.17683 8.30236 2.94172 -146.65690 1111.52593
1670.0000 -157.76686 -147.44626 10.32060 2.95519 -146.43702 1115.95786
1675.0000 -154.91440 -145.97624 8.93815 2.88017 -147.66221 1066.29514
1680.0000 -155.15913 -144.56606 10.59307 3.02614 -145.27827 1161.49964
1685.0000 -158.30246 -149.59148 8.71097 2.94152 -146.66020 1120.35020
1690.0000 -156.98706 -148.43453 8.55253 2.82274 -148.60009 988.38658
1695.0000 -156.58550 -148.46622 8.11929 2.84804 -148.18695 1024.02996
1700.0000 -157.13976 -146.53223 10.60753 2.93921 -146.69798 1120.03692
1705.0000 -156.00663 -145.19267 10.81395 2.95569 -146.42884 1118.92646
1710.0000 -154.50265 -145.60303 8.89963 2.99720 -145.75080 1160.27735
1715.0000 -155.85272 -146.71267 9.14005 3.00357 -145.64690 1118.76250
1720.0000 -157.99829 -147.87252 10.12577 2.90497 -147.25715 1078.50062
1725.0000 -157.97019 -148.87277 9.09743 2.87125 -147.80790 1076.33261
1730.0000 -157.34716 -147.33063 10.01653 2.88447 -147.59188 1055.58000
1735.0000 -156.20643 -147.33472 8.87171 2.90265 -147.29506 1102.44922
1740.0000 -158.05849 -147.36356 10.69494 2.88930 -147.51308 1093.69851
1745.0000 -156.38103 -147.19681 9.18422 2.86037 -147.98550 1030.31778
1750.0000 -157.31584 -148.65191 8.66393 2.83855 -148.34194 1013.64447
FREEZING PROCESS: loop number 8 T-loop= 1042.0000000000000
main_MD> interactions number 8 at Temperature= 1042.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.60954 -6.98012 4.07367
force_rgl> df(natom) -0.79768 -2.76073 -1.83350
1755.0000 -157.07795 -148.27636 8.80159 2.84078 -148.30539 1025.10998
1760.0000 -159.01527 -150.85701 8.15826 2.77055 -149.45241 1016.18401
1765.0000 -157.91997 -150.33513 7.58484 2.68700 -150.81692 943.92310
1770.0000 -158.78828 -150.06730 8.72098 2.74980 -149.79136 981.89515
1775.0000 -157.53353 -149.58016 7.95337 2.75955 -149.63208 976.97617
1780.0000 -157.60299 -147.94762 9.65537 2.85224 -148.11830 1043.47163
1785.0000 -157.30329 -148.78442 8.51888 2.85166 -148.12781 1014.39562
1790.0000 -156.35184 -147.59477 8.75707 2.86357 -147.93324 1049.98558
1795.0000 -154.67180 -145.88891 8.78289 2.95275 -146.47680 1071.80832
1800.0000 -157.09305 -147.60623 9.48682 2.94052 -146.67662 1059.52766
1805.0000 -155.10819 -146.28786 8.82033 2.91643 -147.07003 1056.28059
1810.0000 -159.17991 -149.42189 9.75802 2.86548 -147.90212 1035.26627
1815.0000 -156.23239 -147.10870 9.12370 2.82239 -148.60572 1032.66438
1820.0000 -156.77122 -147.99516 8.77606 2.88189 -147.63412 1070.37844
1825.0000 -156.63980 -148.70787 7.93193 2.81271 -148.76396 1011.90338
1830.0000 -157.71321 -149.72095 7.99226 2.75650 -149.68193 962.80976
1835.0000 -156.75796 -147.30924 9.44872 2.83981 -148.32130 1027.98323
1840.0000 -156.30091 -148.80790 7.49302 2.84866 -148.17679 1028.12584
1845.0000 -156.52110 -148.32931 8.19179 2.81653 -148.70146 1016.70733
1850.0000 -158.06341 -149.83968 8.22373 2.80580 -148.87677 1005.54879
1855.0000 -157.62306 -149.52920 8.09387 2.78310 -149.24746 972.86412
1860.0000 -156.74911 -148.70784 8.04127 2.77986 -149.30033 1015.77198
1865.0000 -157.33100 -148.27000 9.06100 2.80475 -148.89393 1014.94469
1870.0000 -157.21296 -146.90131 10.31165 2.89748 -147.37939 1043.28970
1875.0000 -156.95177 -148.16905 8.78272 2.95565 -146.42944 1081.92811
1880.0000 -156.73186 -146.79060 9.94125 2.87481 -147.74965 1041.15009
1885.0000 -156.94552 -147.83028 9.11524 2.87849 -147.68957 1058.44390
1890.0000 -156.94562 -148.28115 8.66447 2.85841 -148.01752 1052.66714
1895.0000 -156.78394 -148.27804 8.50590 2.83258 -148.43940 1012.91431
1900.0000 -153.91069 -144.76633 9.14436 2.95478 -146.44360 1118.65550
1905.0000 -159.03303 -148.57201 10.46102 2.89416 -147.43365 1035.80472
1910.0000 -157.74361 -148.23384 9.50977 2.82656 -148.53767 1010.36610
1915.0000 -155.32307 -146.28923 9.03385 2.87527 -147.74213 1036.76912
1920.0000 -156.38014 -146.41317 9.96697 2.92537 -146.92394 1085.43824
1925.0000 -158.35193 -150.90178 7.45015 2.82211 -148.61040 997.18467
1930.0000 -155.85948 -147.34161 8.51786 2.76229 -149.58728 999.43944
1935.0000 -157.41462 -148.57315 8.84146 2.87424 -147.75907 1047.77720
1940.0000 -157.10943 -149.29539 7.81404 2.85474 -148.07752 1042.15542
1945.0000 -156.96035 -149.57193 7.38842 2.77196 -149.42938 952.69885
1950.0000 -158.22088 -150.23810 7.98279 2.71316 -150.38974 977.05260
1955.0000 -158.19951 -150.14299 8.05652 2.80005 -148.97068 1004.80759
1960.0000 -157.78547 -148.97151 8.81396 2.71720 -150.32371 936.95802
1965.0000 -158.24964 -148.60077 9.64887 2.86544 -147.90275 1022.55266
1970.0000 -158.50962 -151.06865 7.44097 2.78408 -149.23139 1006.89621
1975.0000 -159.19022 -150.67324 8.51699 2.68647 -150.82565 929.26912
1980.0000 -157.34684 -149.31816 8.02868 2.77686 -149.34937 986.84162
1985.0000 -156.32762 -148.71161 7.61600 2.90609 -147.23880 1082.76648
1990.0000 -157.50527 -148.93222 8.57305 2.80897 -148.82489 1037.20047
1995.0000 -155.75520 -146.53828 9.21691 2.93461 -146.77313 1093.58002
2000.0000 -158.58862 -146.79375 11.79487 2.92558 -146.92047 1088.50782
FREEZING PROCESS: loop number 9 T-loop= 1017.0000000000000
main_MD> interactions number 9 at Temperature= 1017.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09320 -1.47332 2.15572
force_rgl> df(natom) -2.26972 -1.06960 -1.74264
2005.0000 -156.87391 -147.38273 9.49118 2.95061 -146.51179 1137.86368
2010.0000 -157.45303 -148.20586 9.24717 2.88494 -147.58432 1086.72202
2015.0000 -157.79683 -148.77760 9.01923 2.85388 -148.09146 993.19647
2020.0000 -156.20653 -146.69610 9.51043 2.89990 -147.33995 1080.51395
2025.0000 -157.45017 -148.03581 9.41435 2.89239 -147.46259 1054.09144
2030.0000 -156.66789 -147.54886 9.11903 2.85618 -148.05390 1043.31513
2035.0000 -158.41245 -150.39150 8.02095 2.75692 -149.67507 961.56818
2040.0000 -157.30978 -149.14775 8.16203 2.77342 -149.40563 967.31542
2045.0000 -160.02032 -151.70865 8.31168 2.69188 -150.73728 967.46289
2050.0000 -158.33569 -150.96770 7.36799 2.67690 -150.98190 955.30540
2055.0000 -158.26523 -149.55946 8.70577 2.76706 -149.50945 977.63778
2060.0000 -157.64519 -148.85322 8.79197 2.81136 -148.78591 1036.79525
2065.0000 -156.81156 -145.98578 10.82578 2.88002 -147.66453 1081.20851
2070.0000 -155.90883 -144.98957 10.91926 3.00388 -145.64178 1140.80798
2075.0000 -155.96300 -146.45335 9.50965 3.01010 -145.54024 1154.13631
2080.0000 -153.66733 -144.16120 9.50613 2.93356 -146.79020 1099.09879
2085.0000 -156.65085 -146.33396 10.31689 3.02535 -145.29108 1160.44290
2090.0000 -155.31259 -145.43886 9.87373 3.02774 -145.25208 1159.04029
2095.0000 -158.06570 -148.51420 9.55149 2.94103 -146.66829 1079.89385
2100.0000 -157.38343 -148.82573 8.55771 2.83089 -148.46700 1005.76099
2105.0000 -155.44857 -146.46976 8.97882 2.87624 -147.72634 1022.98186
2110.0000 -156.74181 -146.22272 10.51910 2.93301 -146.79920 1080.10877
2115.0000 -156.20054 -148.02245 8.17808 2.83925 -148.33037 1035.23224
2120.0000 -158.26960 -150.15059 8.11901 2.77158 -149.43555 987.90758
2125.0000 -157.84367 -148.87660 8.96707 2.73369 -150.05445 938.38648
2130.0000 -157.99307 -149.44613 8.54694 2.78379 -149.23626 973.26508
2135.0000 -157.51451 -149.93596 7.57855 2.71306 -150.39138 935.35462
2140.0000 -157.14233 -148.49428 8.64805 2.80091 -148.95657 1016.77019
2145.0000 -158.90249 -150.18724 8.71525 2.76458 -149.54985 963.76712
2150.0000 -158.08371 -148.18582 9.89788 2.77142 -149.43819 980.71571
2155.0000 -157.86001 -147.81660 10.04341 2.94473 -146.60772 1135.88727
2160.0000 -157.14480 -149.62473 7.52007 2.84299 -148.26931 1018.70622
2165.0000 -158.46979 -150.56442 7.90538 2.74508 -149.86842 980.98798
2170.0000 -157.84365 -149.09689 8.74676 2.71764 -150.31645 960.21617
2175.0000 -157.21812 -149.03996 8.17815 2.74892 -149.80568 957.66104
2180.0000 -158.81194 -149.11823 9.69371 2.79172 -149.10675 978.68390
2185.0000 -157.90610 -148.96614 8.93995 2.80647 -148.86586 1033.47148
2190.0000 -158.70745 -148.58247 10.12498 2.80586 -148.87577 1011.38993
2195.0000 -157.03221 -147.50912 9.52309 2.94786 -146.55674 1083.77097
2200.0000 -155.53638 -145.78181 9.75457 2.92252 -146.97052 1105.90810
2205.0000 -155.92247 -147.23038 8.69210 2.89508 -147.41871 1066.47855
2210.0000 -158.73228 -151.45878 7.27349 2.77957 -149.30511 984.36968
2215.0000 -157.69557 -150.66119 7.03437 2.67463 -151.01902 907.75841
2220.0000 -158.97200 -150.60124 8.37076 2.71425 -150.37192 950.58194
2225.0000 -156.91916 -148.20379 8.71537 2.78443 -149.22568 1006.63690
2230.0000 -155.00997 -145.49731 9.51266 2.88193 -147.63346 1047.53458
2235.0000 -157.12272 -148.52553 8.59718 2.90905 -147.19058 1076.59756
2240.0000 -158.73432 -151.27632 7.45801 2.72094 -150.26265 954.37516
2245.0000 -159.19434 -150.03862 9.15571 2.69291 -150.72041 943.37791
2250.0000 -157.89816 -148.15901 9.73915 2.81641 -148.70354 1004.74733
FREEZING PROCESS: loop number 10 T-loop= 992.00000000000000
main_MD> interactions number 10 at Temperature= 992.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78783 2.10196 0.59530
force_rgl> df(natom) -3.73048 1.85685 0.51642
2255.0000 -156.01163 -147.20335 8.80828 2.91343 -147.11892 1075.08121
2260.0000 -155.92144 -147.00795 8.91349 2.90981 -147.17801 1044.85197
2265.0000 -157.64518 -149.78270 7.86249 2.81247 -148.76787 997.65661
2270.0000 -156.87337 -146.60321 10.27016 2.84750 -148.19571 1070.38978
2275.0000 -157.52533 -147.20031 10.32502 2.94756 -146.56149 1121.45305
2280.0000 -160.01923 -149.97560 10.04363 2.79674 -149.02475 1012.92382
2285.0000 -158.40797 -150.09114 8.31684 2.77595 -149.36418 1009.35322
2290.0000 -155.88240 -147.47030 8.41210 2.83276 -148.43649 1018.78488
2295.0000 -155.69865 -146.25821 9.44043 2.96207 -146.32458 1103.43511
2300.0000 -156.77282 -148.17495 8.59787 2.92530 -146.92517 1077.80744
2305.0000 -155.51872 -148.67382 6.84491 2.88577 -147.57067 1052.28386
2310.0000 -157.33781 -149.34636 7.99144 2.83265 -148.43822 1030.59260
2315.0000 -157.56467 -148.13809 9.42657 2.79066 -149.12394 996.82993
2320.0000 -157.76473 -148.90485 8.85989 2.77152 -149.43656 1001.89135
2325.0000 -157.27671 -149.02867 8.24804 2.80190 -148.94046 986.68496
2330.0000 -158.38786 -149.11360 9.27425 2.82590 -148.54854 1026.07541
2335.0000 -158.55224 -150.49923 8.05301 2.70262 -150.56185 952.90022
2340.0000 -155.50822 -147.74982 7.75840 2.74190 -149.92038 971.86052
2345.0000 -157.70581 -149.08112 8.62469 2.83475 -148.40393 1001.16495
2350.0000 -158.55067 -149.60098 8.94969 2.80390 -148.90777 1029.76264
2355.0000 -158.19826 -149.63066 8.56760 2.72651 -150.17161 971.68631
2360.0000 -158.15640 -150.65444 7.50196 2.75182 -149.75825 966.07288
2365.0000 -156.97779 -150.57869 6.39910 2.72109 -150.26012 943.21718
2370.0000 -158.19016 -150.85995 7.33020 2.67954 -150.93884 913.81071
2375.0000 -158.63467 -151.26743 7.36724 2.72708 -150.16235 963.66805
2380.0000 -158.85502 -149.86773 8.98729 2.68339 -150.87583 956.55727
2385.0000 -156.45416 -149.17380 7.28036 2.69755 -150.64468 980.17607
2390.0000 -157.29166 -149.28750 8.00416 2.79995 -148.97228 1003.45527
2395.0000 -159.03200 -150.61472 8.41728 2.74063 -149.94112 965.37514
2400.0000 -156.37424 -147.75970 8.61454 2.78471 -149.22117 986.92887
2405.0000 -157.54718 -149.26832 8.27887 2.75594 -149.69106 963.93131
2410.0000 -155.62809 -147.21720 8.41089 2.80644 -148.86635 995.21381
2415.0000 -157.86298 -149.65839 8.20460 2.81531 -148.72142 1017.24406
2420.0000 -156.72118 -148.57036 8.15082 2.85259 -148.11253 1029.17709
2425.0000 -158.30360 -149.91374 8.38987 2.74113 -149.93290 962.27652
2430.0000 -159.22105 -151.59140 7.62965 2.71182 -150.41155 943.05009
2435.0000 -156.52215 -148.91960 7.60255 2.71725 -150.32296 966.30589
2440.0000 -158.93826 -151.83355 7.10471 2.70174 -150.57614 941.94080
2445.0000 -158.56994 -149.53251 9.03743 2.74265 -149.90808 972.76415
2450.0000 -158.82080 -150.60654 8.21426 2.72388 -150.21467 934.11769
2455.0000 -157.81827 -149.59388 8.22439 2.70634 -150.50106 928.98802
2460.0000 -157.90864 -151.26401 6.64463 2.75275 -149.74315 958.09236
2465.0000 -160.63560 -153.12498 7.51061 2.61755 -151.95110 881.06769
2470.0000 -158.80086 -150.58647 8.21438 2.61560 -151.98297 867.91317
2475.0000 -158.16007 -150.66473 7.49535 2.68785 -150.80298 932.93212
2480.0000 -161.25019 -154.36228 6.88791 2.55139 -153.03166 829.92926
2485.0000 -159.40851 -152.02583 7.38268 2.56398 -152.82607 854.23856
2490.0000 -158.49664 -149.91608 8.58057 2.70571 -150.51131 922.09440
2495.0000 -157.62045 -148.01408 9.60637 2.81752 -148.68538 1018.43015
2500.0000 -157.38605 -149.14740 8.23866 2.83542 -148.39295 1038.65101
FREEZING PROCESS: loop number 11 T-loop= 967.00000000000000
main_MD> interactions number 11 at Temperature= 967.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19500 1.25849 -1.59155
force_rgl> df(natom) 0.44473 1.02865 2.63156
2505.0000 -158.24304 -149.51468 8.72836 2.82380 -148.58280 1016.71042
2510.0000 -158.52300 -150.72185 7.80115 2.74658 -149.84383 984.88598
2515.0000 -158.37167 -150.58237 7.78930 2.70213 -150.56985 923.68204
2520.0000 -160.16192 -151.03282 9.12910 2.73976 -149.95531 984.31266
2525.0000 -159.31426 -152.36670 6.94756 2.67535 -151.00723 915.79158
2530.0000 -158.59782 -150.17744 8.42038 2.71663 -150.33310 928.88939
2535.0000 -157.53594 -148.38783 9.14811 2.72575 -150.18405 954.09547
2540.0000 -157.08634 -146.79536 10.29098 2.89672 -147.39186 1062.01775
2545.0000 -156.92382 -148.19666 8.72716 2.87189 -147.79732 1054.07896
2550.0000 -158.09333 -148.59223 9.50111 2.83974 -148.32252 1041.90220
2555.0000 -157.58395 -148.17142 9.41253 2.83261 -148.43885 1016.53170
2560.0000 -156.96334 -148.97449 7.98885 2.81602 -148.70987 1013.69474
2565.0000 -157.01584 -148.74215 8.27369 2.76354 -149.56687 982.76513
2570.0000 -156.83696 -148.19885 8.63811 2.83050 -148.47341 1011.75123
2575.0000 -156.91829 -149.63988 7.27841 2.78533 -149.21112 982.92822
2580.0000 -156.79724 -148.53317 8.26407 2.82438 -148.57338 1004.29906
2585.0000 -157.19585 -150.24926 6.94659 2.76315 -149.57322 968.34419
2590.0000 -157.91241 -149.84905 8.06337 2.71117 -150.42225 972.96262
2595.0000 -158.90700 -151.56956 7.33744 2.70739 -150.48392 954.02540
2600.0000 -159.06976 -150.37483 8.69493 2.67635 -150.99093 934.34880
2605.0000 -157.81431 -149.97956 7.83475 2.71946 -150.28674 950.50545
2610.0000 -157.75541 -149.07277 8.68265 2.76686 -149.51269 948.74321
2615.0000 -159.17038 -151.36877 7.80161 2.74667 -149.84235 965.81230
2620.0000 -157.34478 -150.78923 6.55555 2.69000 -150.76799 914.75025
2625.0000 -159.96996 -152.82448 7.14548 2.64049 -151.57650 890.41574
2630.0000 -159.17480 -151.97763 7.19717 2.59273 -152.35652 887.62996
2635.0000 -158.99651 -150.35219 8.64432 2.70908 -150.45632 935.00005
2640.0000 -157.65293 -151.09883 6.55411 2.71877 -150.29808 967.77693
2645.0000 -158.12967 -149.84518 8.28449 2.78016 -149.29553 999.56770
2650.0000 -158.50704 -151.29418 7.21287 2.69162 -150.74153 928.15274
2655.0000 -158.65335 -149.65930 8.99406 2.69229 -150.73060 958.03042
2660.0000 -159.33289 -151.73415 7.59874 2.73123 -150.09460 960.31929
2665.0000 -160.34090 -151.61432 8.72658 2.60091 -152.22288 840.52308
2670.0000 -157.70863 -150.15410 7.55453 2.68071 -150.91968 930.70196
2675.0000 -157.85082 -150.08108 7.76974 2.72771 -150.15202 968.84270
2680.0000 -159.65634 -151.09867 8.55767 2.70586 -150.50884 963.80701
2685.0000 -158.31119 -150.00819 8.30300 2.76810 -149.49248 997.28354
2690.0000 -158.30276 -149.70010 8.60266 2.72189 -150.24714 935.41163
2695.0000 -157.31876 -149.21047 8.10829 2.75236 -149.74948 971.42369
2700.0000 -157.38737 -150.14721 7.24016 2.80028 -148.96684 1025.16027
2705.0000 -157.69895 -149.22738 8.47156 2.75000 -149.78797 968.34731
2710.0000 -160.19609 -152.95061 7.24548 2.71209 -150.40720 958.17387
2715.0000 -160.53297 -153.40416 7.12881 2.50668 -153.76185 806.37539
2720.0000 -159.28989 -151.25614 8.03375 2.59559 -152.30983 880.48961
2725.0000 -159.19947 -151.40310 7.79637 2.64099 -151.56830 885.00040
2730.0000 -157.58323 -147.57641 10.00681 2.74234 -149.91307 979.46952
2735.0000 -158.12424 -149.76110 8.36314 2.84078 -148.30546 1053.87201
2740.0000 -157.89981 -149.38727 8.51254 2.72019 -150.27496 949.96409
2745.0000 -159.34192 -148.94424 10.39768 2.82664 -148.53641 1047.11570
2750.0000 -158.21134 -149.12260 9.08874 2.75421 -149.71932 962.99209
FREEZING PROCESS: loop number 12 T-loop= 942.00000000000000
main_MD> interactions number 12 at Temperature= 942.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66292 -0.64118 0.63781
force_rgl> df(natom) -5.07417 -0.19581 0.71779
2755.0000 -158.71573 -149.32402 9.39171 2.78959 -149.14142 1009.81671
2760.0000 -156.22904 -146.92046 9.30858 2.85136 -148.13272 1013.25281
2765.0000 -157.56410 -148.51621 9.04789 2.90539 -147.25022 1066.03220
2770.0000 -157.99016 -149.96693 8.02323 2.78257 -149.25606 1002.88760
2775.0000 -159.38010 -151.88984 7.49027 2.67623 -150.99290 946.93288
2780.0000 -159.21520 -151.03842 8.17678 2.62675 -151.80086 889.99478
2785.0000 -156.46367 -148.40671 8.05696 2.74188 -149.92064 952.23313
2790.0000 -158.46300 -151.76509 6.69790 2.73070 -150.10332 979.46712
2795.0000 -160.05291 -151.80730 8.24561 2.60853 -152.09852 886.26115
2800.0000 -158.34722 -150.37584 7.97138 2.64727 -151.46572 903.29418
2805.0000 -157.46678 -148.45274 9.01403 2.77926 -149.31011 995.46619
2810.0000 -156.92643 -149.32779 7.59864 2.82382 -148.58243 1006.96124
2815.0000 -158.46947 -149.16378 9.30570 2.78425 -149.22875 1021.06285
2820.0000 -158.93650 -150.64723 8.28927 2.76745 -149.50301 991.65241
2825.0000 -156.64589 -150.92750 5.71839 2.68199 -150.89881 896.36832
2830.0000 -159.11395 -150.67005 8.44390 2.66333 -151.20349 889.06565
2835.0000 -159.33743 -152.13397 7.20346 2.69776 -150.64117 977.38208
2840.0000 -157.22785 -150.52166 6.70619 2.70267 -150.56103 938.31887
2845.0000 -158.87772 -149.02614 9.85158 2.75390 -149.72432 966.95059
2850.0000 -160.42251 -151.52619 8.89632 2.67235 -151.05614 926.68511
2855.0000 -157.72967 -148.93765 8.79202 2.79774 -149.00836 972.23030
2860.0000 -158.89098 -149.61650 9.27449 2.77174 -149.43302 1012.77486
2865.0000 -159.48339 -151.04905 8.43433 2.71470 -150.36455 966.45636
2870.0000 -159.74891 -150.58704 9.16187 2.71649 -150.33537 932.07456
2875.0000 -159.12451 -151.05494 8.06957 2.72697 -150.16421 954.54262
2880.0000 -158.64094 -150.51213 8.12880 2.67801 -150.96377 896.55828
2885.0000 -158.78991 -150.51547 8.27444 2.73140 -150.09183 968.11207
2890.0000 -158.16439 -150.05052 8.11387 2.69206 -150.73426 927.15973
2895.0000 -156.99990 -148.26923 8.73068 2.78145 -149.27444 1012.16246
2900.0000 -157.64853 -149.68067 7.96786 2.79993 -148.97260 999.06635
2905.0000 -156.98697 -149.05983 7.92714 2.77848 -149.32289 1014.73385
2910.0000 -157.87976 -149.90770 7.97207 2.75482 -149.70936 939.87237
2915.0000 -159.60800 -150.55488 9.05313 2.76783 -149.49689 988.35207
2920.0000 -157.26637 -149.63737 7.62900 2.67823 -150.96015 928.56157
2925.0000 -158.07469 -149.99569 8.07900 2.73309 -150.06416 952.58120
2930.0000 -157.79988 -149.52180 8.27808 2.81955 -148.65226 1022.61547
2935.0000 -158.20888 -150.13881 8.07007 2.78003 -149.29764 1005.73128
2940.0000 -157.84168 -149.01190 8.82977 2.71248 -150.40077 945.24509
2945.0000 -159.09031 -150.61408 8.47623 2.74877 -149.80817 984.80116
2950.0000 -156.31413 -148.15670 8.15743 2.74190 -149.92035 980.19160
2955.0000 -156.56997 -148.51685 8.05311 2.83005 -148.48075 1021.93711
2960.0000 -159.46099 -150.09190 9.36909 2.73060 -150.10489 973.39449
2965.0000 -159.68773 -152.14565 7.54208 2.64411 -151.51733 911.47720
2970.0000 -159.92545 -150.74945 9.17600 2.64843 -151.44679 903.08353
2975.0000 -159.28951 -151.34589 7.94362 2.64525 -151.49880 900.36547
2980.0000 -158.11640 -151.05790 7.05850 2.67382 -151.03211 935.78001
2985.0000 -161.02226 -153.48203 7.54023 2.57670 -152.61833 868.99579
2990.0000 -158.06215 -150.34162 7.72053 2.63496 -151.66691 889.67976
2995.0000 -156.88910 -146.91919 9.96991 2.85037 -148.14876 1062.35448
3000.0000 -157.52485 -149.10406 8.42080 2.86474 -147.91420 1047.14574
FREEZING PROCESS: loop number 13 T-loop= 917.00000000000000
main_MD> interactions number 13 at Temperature= 917.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74021 0.84641 1.49927
force_rgl> df(natom) 0.65410 1.31768 3.99383
3005.0000 -158.06331 -149.80184 8.26147 2.72256 -150.23624 948.88011
3010.0000 -157.22040 -147.61740 9.60300 2.77247 -149.42112 1003.20824
3015.0000 -157.04693 -148.28706 8.75988 2.88139 -147.64227 1027.84020
3020.0000 -157.83133 -150.44980 7.38153 2.76866 -149.48322 981.23976
3025.0000 -159.57533 -152.19836 7.37697 2.64387 -151.52127 898.23825
3030.0000 -159.83784 -151.01051 8.82733 2.69640 -150.66347 923.77274
3035.0000 -157.10029 -149.26853 7.83176 2.78174 -149.26962 995.48666
3040.0000 -156.69792 -148.36616 8.33176 2.76429 -149.55462 967.97426
3045.0000 -158.98289 -149.70750 9.27539 2.81333 -148.75381 992.21634
3050.0000 -157.16217 -149.10219 8.05998 2.79358 -149.07627 1028.27935
3055.0000 -158.36258 -149.67400 8.68857 2.72809 -150.14580 946.45887
3060.0000 -159.19023 -152.15224 7.03799 2.66026 -151.25371 898.27983
3065.0000 -159.06800 -149.76890 9.29911 2.66711 -151.14181 895.87195
3070.0000 -158.47472 -150.73495 7.73977 2.70724 -150.48632 955.76476
3075.0000 -159.03572 -150.85960 8.17612 2.69944 -150.61379 925.00679
3080.0000 -158.93475 -149.57476 9.35998 2.69995 -150.60543 948.89655
3085.0000 -160.11252 -152.74138 7.37114 2.68206 -150.89756 904.69296
3090.0000 -160.30778 -153.51689 6.79089 2.54581 -153.12275 831.77330
3095.0000 -159.25082 -151.79009 7.46073 2.59020 -152.39780 880.74842
3100.0000 -159.86973 -151.45519 8.41454 2.65421 -151.35247 908.07358
3105.0000 -157.94127 -151.56006 6.38121 2.63390 -151.68414 884.24415
3110.0000 -159.41804 -151.80729 7.61075 2.62056 -151.90205 901.76721
3115.0000 -159.84070 -151.65917 8.18153 2.66587 -151.16200 936.52152
3120.0000 -158.74648 -150.92538 7.82110 2.66035 -151.25212 905.41355
3125.0000 -159.29624 -151.46870 7.82754 2.71248 -150.40087 954.12380
3130.0000 -158.58300 -150.46899 8.11401 2.68674 -150.82121 935.18272
3135.0000 -160.19638 -152.09523 8.10114 2.67799 -150.96410 946.40621
3140.0000 -159.25608 -152.39172 6.86436 2.62887 -151.76621 886.87652
3145.0000 -158.68417 -150.67668 8.00750 2.55740 -152.93346 839.16835
3150.0000 -158.57032 -151.08222 7.48810 2.66661 -151.14987 909.94839
3155.0000 -156.90935 -149.09739 7.81197 2.72037 -150.27192 937.98863
3160.0000 -158.40200 -149.80420 8.59780 2.75600 -149.69006 1003.80499
3165.0000 -157.30117 -150.10514 7.19603 2.75763 -149.66338 953.01958
3170.0000 -157.05620 -149.28602 7.77018 2.72907 -150.12980 959.39734
3175.0000 -157.12629 -148.77363 8.35266 2.78462 -149.22271 1008.28842
3180.0000 -157.68570 -150.49396 7.19174 2.73085 -150.10078 956.94225
3185.0000 -158.43861 -150.68158 7.75703 2.71493 -150.36071 915.59071
3190.0000 -158.82304 -151.59439 7.22865 2.66074 -151.24577 927.65453
3195.0000 -158.38860 -150.68105 7.70755 2.68725 -150.81293 923.47452
3200.0000 -158.16281 -151.83836 6.32445 2.61053 -152.06587 870.69010
3205.0000 -159.44375 -150.87708 8.56667 2.64186 -151.55416 903.58931
3210.0000 -158.24936 -150.01663 8.23272 2.77569 -149.36854 982.40817
3215.0000 -158.66228 -150.38445 8.27783 2.69497 -150.68678 930.02965
3220.0000 -160.03744 -152.39054 7.64691 2.67620 -150.99333 901.43167
3225.0000 -158.72714 -150.63692 8.09022 2.62747 -151.78908 898.54720
3230.0000 -158.89906 -151.25053 7.64853 2.68807 -150.79951 954.62529
3235.0000 -159.00182 -150.90139 8.10043 2.69148 -150.74379 927.10317
3240.0000 -157.60776 -150.26048 7.34729 2.72927 -150.12664 936.34088
3245.0000 -156.94550 -149.09426 7.85124 2.78955 -149.14217 984.62376
3250.0000 -158.86545 -150.10569 8.75975 2.77184 -149.43129 978.58329
FREEZING PROCESS: loop number 14 T-loop= 892.00000000000000
main_MD> interactions number 14 at Temperature= 892.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.60520 -2.85705 -1.31975
force_rgl> df(natom) -0.67558 4.26140 -0.45937
3255.0000 -159.42784 -151.48164 7.94620 2.63798 -151.61753 896.25131
3260.0000 -158.21679 -150.10857 8.10822 2.68013 -150.92921 929.07566
3265.0000 -157.32455 -149.82533 7.49921 2.77731 -149.34196 987.59630
3270.0000 -159.99807 -152.03668 7.96139 2.65242 -151.38161 878.48586
3275.0000 -160.34933 -151.43723 8.91209 2.62789 -151.78229 923.82857
3280.0000 -159.68546 -151.75724 7.92822 2.65338 -151.36602 925.36544
3285.0000 -158.83708 -150.91439 7.92269 2.66592 -151.16128 895.88496
3290.0000 -159.32820 -151.73096 7.59724 2.68776 -150.80448 908.66552
3295.0000 -158.49771 -151.12981 7.36790 2.64085 -151.57068 898.88492
3300.0000 -158.21093 -150.59760 7.61333 2.66200 -151.22527 906.21158
3305.0000 -157.90753 -150.71639 7.19114 2.73255 -150.07304 964.67518
3310.0000 -158.62182 -150.67628 7.94555 2.69263 -150.72502 918.88940
3315.0000 -160.53365 -153.39406 7.13959 2.63842 -151.61028 868.17472
3320.0000 -160.24125 -154.50172 5.73952 2.48217 -154.16213 769.85267
3325.0000 -159.31360 -152.37727 6.93633 2.51533 -153.62059 805.71317
3330.0000 -159.67489 -152.66443 7.01046 2.63026 -151.74361 865.98289
3335.0000 -159.74736 -153.80744 5.93993 2.55459 -152.97937 819.37407
3340.0000 -160.65643 -152.03696 8.61948 2.56848 -152.75250 837.18230
3345.0000 -157.15197 -149.20899 7.94298 2.70433 -150.53396 929.19886
3350.0000 -158.54430 -149.95212 8.59218 2.67667 -150.98559 913.44878
3355.0000 -158.88143 -151.65360 7.22783 2.69156 -150.74241 883.64532
3360.0000 -158.93822 -150.87630 8.06192 2.67280 -151.04892 894.90808
3365.0000 -160.04971 -152.25167 7.79804 2.60571 -152.14455 872.36050
3370.0000 -159.80957 -152.53170 7.27787 2.56531 -152.80433 843.12944
3375.0000 -158.81655 -150.71282 8.10373 2.66417 -151.18970 919.98675
3380.0000 -158.82183 -151.08659 7.73524 2.63347 -151.69122 891.81919
3385.0000 -159.14154 -151.74838 7.39317 2.66238 -151.21907 878.34031
3390.0000 -158.35736 -149.99194 8.36542 2.69800 -150.63723 903.84704
3395.0000 -160.59779 -153.34238 7.25541 2.65237 -151.38250 888.32057
3400.0000 -160.45330 -153.55154 6.90176 2.53213 -153.34629 823.43913
3405.0000 -157.84379 -151.04223 6.80156 2.61983 -151.91393 899.40205
3410.0000 -157.81311 -151.17861 6.63451 2.71862 -150.30050 943.62607
3415.0000 -159.01685 -151.32464 7.69221 2.65717 -151.30403 890.13317
3420.0000 -159.70464 -149.94594 9.75870 2.70598 -150.50695 952.23607
3425.0000 -159.20051 -151.44778 7.75273 2.68616 -150.83065 906.88302
3430.0000 -159.37581 -151.72189 7.65392 2.65916 -151.27159 901.32881
3435.0000 -158.12214 -150.37002 7.75213 2.67053 -151.08586 934.61890
3440.0000 -158.65627 -150.59721 8.05905 2.72577 -150.18368 941.37351
3445.0000 -159.27993 -150.33909 8.94084 2.71297 -150.39283 971.59216
3450.0000 -159.75744 -153.04311 6.71433 2.62539 -151.82317 879.10674
3455.0000 -158.28347 -151.08328 7.20019 2.65453 -151.34718 898.29851
3460.0000 -159.33022 -151.86030 7.46992 2.64689 -151.47203 938.89785
3465.0000 -159.99982 -151.58646 8.41335 2.66952 -151.10244 915.28714
3470.0000 -158.74793 -151.81412 6.93382 2.63299 -151.69903 874.52732
3475.0000 -160.43919 -153.64925 6.78994 2.54975 -153.05844 806.89881
3480.0000 -158.49179 -150.87124 7.62056 2.58282 -152.51832 840.04085
3485.0000 -159.26918 -152.52846 6.74072 2.64899 -151.43774 876.53404
3490.0000 -158.93559 -151.81834 7.11725 2.60691 -152.12491 839.26433
3495.0000 -159.71992 -152.80001 6.91991 2.64677 -151.47390 889.74247
3500.0000 -159.97917 -154.49798 5.48120 2.55809 -152.92230 829.20939
FREEZING PROCESS: loop number 15 T-loop= 867.00000000000000
main_MD> interactions number 15 at Temperature= 867.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.17540 2.71581 0.35947
force_rgl> df(natom) -0.49441 2.73329 0.27066
3505.0000 -160.13610 -151.86777 8.26833 2.57289 -152.68051 864.76605
3510.0000 -159.43159 -151.26756 8.16403 2.63130 -151.72657 899.89313
3515.0000 -160.31990 -152.23110 8.08880 2.60056 -152.22870 860.20539
3520.0000 -158.79376 -152.20877 6.58499 2.61046 -152.06696 880.23613
3525.0000 -158.60726 -151.78299 6.82427 2.61688 -151.96209 859.74847
3530.0000 -158.54601 -150.70341 7.84260 2.65251 -151.38021 870.30748
3535.0000 -159.36447 -152.33506 7.02940 2.62956 -151.75510 881.92332
3540.0000 -159.90725 -151.78824 8.11900 2.62021 -151.90766 874.41259
3545.0000 -159.20931 -152.82308 6.38623 2.58800 -152.43379 859.63351
3550.0000 -159.60239 -151.59031 8.01208 2.59411 -152.33397 837.74758
3555.0000 -158.38719 -150.52569 7.86149 2.70133 -150.58284 949.64031
3560.0000 -158.72381 -150.45039 8.27342 2.74945 -149.79695 979.06613
3565.0000 -159.48892 -152.25468 7.23425 2.63768 -151.62234 898.29909
3570.0000 -159.34820 -152.06591 7.28229 2.57198 -152.69545 845.06262
3575.0000 -158.97232 -150.74761 8.22471 2.64731 -151.46518 908.34728
3580.0000 -159.01110 -151.78818 7.22291 2.62316 -151.85954 893.51857
3585.0000 -159.49058 -152.31976 7.17081 2.55844 -152.91652 847.53326
3590.0000 -158.69245 -152.59008 6.10237 2.62712 -151.79480 872.36969
3595.0000 -161.68058 -153.56966 8.11092 2.56454 -152.81692 854.76573
3600.0000 -161.31498 -154.22298 7.09200 2.54694 -153.10441 868.03735
3605.0000 -161.51336 -154.44699 7.06637 2.50180 -153.84156 836.47161
3610.0000 -161.31884 -154.89956 6.41928 2.40136 -155.48184 757.66178
3615.0000 -159.86020 -151.78047 8.07973 2.50851 -153.73199 834.32153
3620.0000 -159.38151 -151.68953 7.69198 2.60311 -152.18699 870.14537
3625.0000 -159.88147 -152.92764 6.95383 2.59479 -152.32284 855.33316
3630.0000 -160.66136 -153.39990 7.26146 2.55196 -153.02241 853.40934
3635.0000 -160.53260 -152.26249 8.27011 2.55105 -153.03718 848.25086
3640.0000 -159.08273 -150.55531 8.52741 2.64376 -151.52307 893.24784
3645.0000 -159.89069 -151.32074 8.56994 2.68140 -150.90835 923.23272
3650.0000 -160.01658 -152.50163 7.51495 2.63492 -151.66749 909.88376
3655.0000 -161.89987 -155.52470 6.37517 2.54255 -153.17607 841.06412
3660.0000 -159.53699 -152.80645 6.73055 2.49525 -153.94859 785.33221
3665.0000 -159.57311 -152.30741 7.26570 2.56900 -152.74407 837.35820
3670.0000 -159.33184 -152.60776 6.72408 2.63176 -151.71912 881.62571
3675.0000 -159.52695 -152.81200 6.71495 2.59091 -152.38631 859.67177
3680.0000 -158.71992 -150.89300 7.82691 2.67109 -151.07676 908.85804
3685.0000 -159.39678 -152.34362 7.05315 2.62555 -151.82056 880.76669
3690.0000 -158.57086 -150.52687 8.04399 2.64710 -151.46858 887.72640
3695.0000 -158.30691 -151.65348 6.65344 2.63854 -151.60832 880.55205
3700.0000 -158.44373 -151.31254 7.13119 2.61065 -152.06377 873.62871
3705.0000 -159.65633 -151.81715 7.83917 2.63732 -151.62827 874.74604
3710.0000 -158.72415 -150.20721 8.51694 2.65939 -151.26788 898.37078
3715.0000 -159.91095 -152.76164 7.14931 2.62954 -151.75536 870.30498
3720.0000 -160.59711 -152.66474 7.93237 2.56098 -152.87512 850.37113
3725.0000 -160.01204 -153.40092 6.61112 2.54647 -153.11199 833.64988
3730.0000 -159.49100 -151.96775 7.52326 2.60443 -152.16537 886.82894
3735.0000 -158.10036 -151.09998 7.00038 2.62727 -151.79248 870.64591
3740.0000 -160.06879 -153.47848 6.59032 2.63120 -151.72823 861.39025
3745.0000 -157.70684 -149.76900 7.93785 2.60989 -152.07623 887.72435
3750.0000 -158.07630 -149.11790 8.95839 2.77402 -149.39572 1002.00111
FREEZING PROCESS: loop number 16 T-loop= 842.00000000000000
main_MD> interactions number 16 at Temperature= 842.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.58694 -1.34768 -0.08123
force_rgl> df(natom) -0.36610 -0.12423 2.11958
3755.0000 -160.51053 -152.02248 8.48805 2.66456 -151.18342 935.23550
3760.0000 -159.69743 -151.83182 7.86560 2.66584 -151.16255 911.57344
3765.0000 -158.81866 -150.83861 7.98005 2.66925 -151.10677 942.61432
3770.0000 -160.86141 -153.77520 7.08620 2.57813 -152.59498 835.40749
3775.0000 -160.48814 -152.92620 7.56194 2.57477 -152.64986 824.69813
3780.0000 -160.43090 -154.11725 6.31365 2.53233 -153.34290 843.62366
3785.0000 -161.12222 -153.90772 7.21450 2.48929 -154.04586 775.50765
3790.0000 -159.56091 -152.64281 6.91810 2.48984 -154.03690 799.68781
3795.0000 -158.52389 -151.76476 6.75913 2.60814 -152.10486 875.16481
3800.0000 -158.95716 -152.39201 6.56514 2.65296 -151.37285 898.56526
3805.0000 -160.18544 -152.70782 7.47762 2.62099 -151.89492 915.08338
3810.0000 -160.45455 -153.05240 7.40215 2.51641 -153.60293 820.71485
3815.0000 -161.58357 -154.07890 7.50468 2.49750 -153.91183 791.87250
3820.0000 -160.30142 -153.57009 6.73134 2.54852 -153.07847 799.67526
3825.0000 -160.81637 -153.97148 6.84489 2.52643 -153.43926 823.10447
3830.0000 -159.71778 -152.10194 7.61584 2.51756 -153.58413 825.36876
3835.0000 -160.83801 -153.11622 7.72179 2.61313 -152.02328 907.25673
3840.0000 -161.38423 -153.88610 7.49813 2.52656 -153.43720 843.75041
3845.0000 -162.77582 -156.12693 6.64889 2.44984 -154.69013 802.87302
3850.0000 -161.32283 -153.95801 7.36482 2.47202 -154.32796 809.67699
3855.0000 -160.74394 -154.32546 6.41848 2.49443 -153.96199 806.95919
3860.0000 -160.38762 -152.34596 8.04166 2.53955 -153.22498 830.94817
3865.0000 -159.44963 -152.42312 7.02651 2.62147 -151.88713 894.83329
3870.0000 -159.29320 -152.12564 7.16756 2.57478 -152.64969 848.68202
3875.0000 -160.85405 -153.37604 7.47802 2.59266 -152.35758 840.42178
3880.0000 -162.07362 -155.08200 6.99162 2.46824 -154.38964 818.89948
3885.0000 -161.66120 -155.03691 6.62430 2.44129 -154.82984 786.37142
3890.0000 -161.20276 -155.32662 5.87614 2.42562 -155.08573 754.02034
3895.0000 -161.44350 -153.95374 7.48976 2.46917 -154.37451 767.94996
3900.0000 -161.06347 -153.78890 7.27456 2.51709 -153.59188 828.32154
3905.0000 -160.50486 -152.52089 7.98397 2.49775 -153.90761 825.45036
3910.0000 -160.26982 -153.01575 7.25407 2.54338 -153.16241 858.84640
3915.0000 -160.18913 -151.78455 8.40458 2.54709 -153.10192 838.34980
3920.0000 -158.24310 -150.64136 7.60174 2.67194 -151.06282 926.96782
3925.0000 -160.05396 -152.85624 7.19772 2.62027 -151.90679 890.15318
3930.0000 -160.60609 -154.99927 5.60682 2.52385 -153.48145 804.95158
3935.0000 -161.55771 -155.74297 5.81475 2.43944 -154.86006 753.50196
3940.0000 -161.95264 -155.18242 6.77023 2.41733 -155.22104 749.46779
3945.0000 -160.56536 -154.23180 6.33356 2.48435 -154.12648 791.34367
3950.0000 -160.49286 -153.78050 6.71236 2.51918 -153.55768 830.94340
3955.0000 -158.56144 -152.86026 5.70118 2.51017 -153.70480 787.01572
3960.0000 -159.28933 -151.99785 7.29148 2.59269 -152.35723 870.92684
3965.0000 -159.32155 -151.88931 7.43224 2.58155 -152.53906 863.20178
3970.0000 -158.57058 -151.47452 7.09606 2.58743 -152.44309 866.56530
3975.0000 -157.75470 -151.60115 6.15355 2.65716 -151.30433 915.01679
3980.0000 -159.59490 -152.18190 7.41300 2.62547 -151.82187 882.25904
3985.0000 -160.31343 -152.98069 7.33273 2.55922 -152.90374 812.22886
3990.0000 -159.50469 -151.67717 7.82752 2.61287 -152.02764 874.65371
3995.0000 -159.58539 -152.09197 7.49342 2.64036 -151.57863 875.67852
4000.0000 -158.63385 -152.48062 6.15323 2.59280 -152.35539 871.37913
FREEZING PROCESS: loop number 17 T-loop= 817.00000000000000
main_MD> interactions number 17 at Temperature= 817.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15132 2.80572 0.94634
force_rgl> df(natom) 8.24756 -5.30123 -2.57750
4005.0000 -160.87676 -152.81843 8.05833 2.55447 -152.98134 830.47550
4010.0000 -161.18948 -154.62418 6.56529 2.55718 -152.93712 849.40529
4015.0000 -161.76424 -154.78100 6.98324 2.48157 -154.17193 795.85731
4020.0000 -161.49388 -154.92198 6.57190 2.46253 -154.48291 796.18588
4025.0000 -159.83909 -152.63561 7.20348 2.52644 -153.43911 793.66476
4030.0000 -159.65248 -153.85600 5.79648 2.56165 -152.86403 843.16771
4035.0000 -162.00507 -154.92475 7.08032 2.44429 -154.78084 758.24017
4040.0000 -159.96278 -152.85328 7.10950 2.42191 -155.14635 743.21853
4045.0000 -160.65595 -153.64279 7.01316 2.54086 -153.20357 842.14594
4050.0000 -159.88964 -153.13305 6.75659 2.53449 -153.30774 817.70704
4055.0000 -160.89596 -153.02531 7.87065 2.52505 -153.46184 817.53837
4060.0000 -160.83801 -153.66299 7.17502 2.57765 -152.60285 869.71580
4065.0000 -160.38682 -153.06361 7.32321 2.52383 -153.48182 824.28667
4070.0000 -160.94320 -152.90632 8.03688 2.57765 -152.60278 883.33878
4075.0000 -159.45310 -153.17790 6.27520 2.53657 -153.27378 859.97948
4080.0000 -159.64430 -152.63141 7.01288 2.56520 -152.80612 810.32366
4085.0000 -158.74729 -151.79122 6.95607 2.57601 -152.62954 833.88135
4090.0000 -159.22728 -151.21404 8.01325 2.69383 -150.70545 914.71821
4095.0000 -158.89211 -151.45674 7.43537 2.67816 -150.96127 928.27237
4100.0000 -158.68287 -151.14884 7.53403 2.65291 -151.37363 890.07935
4105.0000 -159.94914 -152.79436 7.15478 2.59629 -152.29834 860.41120
4110.0000 -160.53244 -152.66846 7.86398 2.59495 -152.32033 876.17775
4115.0000 -159.47529 -152.20107 7.27422 2.53712 -153.26470 815.25781
4120.0000 -158.98499 -152.12361 6.86138 2.55747 -152.93230 850.50624
4125.0000 -159.49588 -152.60489 6.89098 2.64184 -151.55448 888.43324
4130.0000 -160.24630 -154.29760 5.94870 2.54657 -153.11038 797.96467
4135.0000 -162.28137 -155.56098 6.72038 2.42779 -155.05020 755.42634
4140.0000 -162.22995 -154.88009 7.34986 2.43131 -154.99277 740.07888
4145.0000 -162.31374 -156.31156 6.00218 2.40056 -155.49500 751.77963
4150.0000 -159.71213 -153.49190 6.22023 2.49362 -153.97515 807.46930
4155.0000 -160.56528 -152.77395 7.79133 2.53784 -153.25303 818.96264
4160.0000 -160.76276 -152.79366 7.96910 2.58633 -152.46097 848.64914
4165.0000 -159.11770 -152.33268 6.78502 2.56771 -152.76521 834.52283
4170.0000 -159.84569 -151.77571 8.06998 2.64616 -151.48395 891.25150
4175.0000 -160.64156 -153.75775 6.88381 2.59096 -152.38539 872.26947
4180.0000 -161.91468 -154.91346 7.00123 2.48565 -154.10538 789.31283
4185.0000 -159.93902 -151.84761 8.09142 2.51721 -153.58986 829.40503
4190.0000 -160.25478 -154.16644 6.08835 2.53142 -153.35784 812.27864
4195.0000 -160.47135 -153.37672 7.09464 2.45269 -154.64365 768.97674
4200.0000 -160.79865 -153.96298 6.83566 2.49744 -153.91278 827.60803
4205.0000 -161.41401 -155.63124 5.78277 2.44324 -154.79790 758.52075
4210.0000 -161.19171 -154.60309 6.58861 2.42579 -155.08284 783.90854
4215.0000 -160.41848 -153.85660 6.56187 2.50357 -153.81267 800.11799
4220.0000 -160.48195 -154.26581 6.21613 2.45174 -154.65919 757.04872
4225.0000 -162.86941 -157.60829 5.26112 2.35895 -156.17456 685.57905
4230.0000 -161.71212 -155.09413 6.61798 2.35381 -156.25848 708.37416
4235.0000 -160.24017 -152.95453 7.28564 2.44575 -154.75692 751.16006
4240.0000 -159.41980 -151.42240 7.99740 2.54459 -153.14267 832.94220
4245.0000 -160.29682 -153.36518 6.93164 2.59740 -152.28025 888.19054
4250.0000 -159.61848 -153.05959 6.55889 2.57257 -152.68571 857.63449
FREEZING PROCESS: loop number 18 T-loop= 792.00000000000000
main_MD> interactions number 18 at Temperature= 792.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.96556 -7.43759 7.12528
force_rgl> df(natom) 1.12019 3.93850 4.28693
4255.0000 -160.43552 -152.89840 7.53713 2.55617 -152.95354 833.51988
4260.0000 -161.30874 -155.70814 5.60059 2.49023 -154.03058 780.04152
4265.0000 -161.73139 -154.72201 7.00938 2.41609 -155.24135 759.46434
4270.0000 -160.92305 -153.51653 7.40652 2.46984 -154.36352 784.06066
4275.0000 -160.69273 -153.36496 7.32778 2.53286 -153.33435 799.48865
4280.0000 -160.23981 -153.52135 6.71846 2.53313 -153.32984 821.73870
4285.0000 -161.62183 -153.28933 8.33249 2.57236 -152.68919 871.64287
4290.0000 -162.04004 -154.52230 7.51774 2.51266 -153.66422 811.03985
4295.0000 -162.02862 -155.04079 6.98783 2.43424 -154.94491 762.71058
4300.0000 -161.41808 -155.06071 6.35737 2.42671 -155.06782 751.30658
4305.0000 -162.58735 -154.12320 8.46415 2.48211 -154.16304 799.88314
4310.0000 -161.07294 -154.42956 6.64338 2.48562 -154.10583 821.75918
4315.0000 -160.04333 -154.54670 5.49663 2.49518 -153.94967 785.32886
4320.0000 -161.87886 -155.63116 6.24770 2.41781 -155.21327 744.05191
4325.0000 -161.65434 -155.99821 5.65612 2.35788 -156.19202 678.23483
4330.0000 -160.36178 -154.29738 6.06440 2.42731 -155.05804 768.36748
4335.0000 -162.60593 -154.63424 7.97169 2.53290 -153.33360 829.82649
4340.0000 -162.57409 -155.20508 7.36901 2.46049 -154.51616 791.80221
4345.0000 -162.14038 -156.11596 6.02443 2.40391 -155.44031 754.38530
4350.0000 -161.40325 -153.71668 7.68658 2.42410 -155.11056 771.20312
4355.0000 -159.75180 -152.69960 7.05221 2.53407 -153.31458 847.02205
4360.0000 -160.60063 -153.70288 6.89775 2.55844 -152.91652 843.67884
4365.0000 -160.40460 -153.57541 6.82918 2.49786 -153.90582 801.38156
4370.0000 -161.52097 -155.23402 6.28695 2.48808 -154.06562 801.43731
4375.0000 -161.70862 -155.13871 6.56991 2.43915 -154.86476 790.21156
4380.0000 -162.16077 -155.16894 6.99183 2.42317 -155.12571 764.78065
4385.0000 -161.91663 -155.07050 6.84613 2.40385 -155.44116 773.90916
4390.0000 -160.12557 -153.44677 6.67880 2.48063 -154.18726 796.54621
4395.0000 -161.22191 -155.19457 6.02734 2.46794 -154.39458 769.93718
4400.0000 -161.21298 -153.97264 7.24034 2.48712 -154.08131 819.31229
4405.0000 -160.90328 -154.09325 6.81003 2.46638 -154.42003 784.24581
4410.0000 -161.42687 -153.44970 7.97717 2.53668 -153.27194 839.40691
4415.0000 -159.99041 -152.11248 7.87793 2.56767 -152.76584 883.66278
4420.0000 -161.33595 -155.09113 6.24482 2.49883 -153.89012 824.96244
4425.0000 -161.09958 -155.47913 5.62046 2.39910 -155.51888 739.14519
4430.0000 -160.18653 -153.18121 7.00532 2.45650 -154.58139 792.34914
4435.0000 -162.88662 -155.58131 7.30531 2.42662 -155.06943 776.39257
4440.0000 -161.85160 -155.36219 6.48940 2.42690 -155.06483 767.73025
4445.0000 -160.51374 -154.15047 6.36327 2.47228 -154.32364 821.55562
4450.0000 -160.58775 -154.01792 6.56983 2.45272 -154.64314 762.27852
4455.0000 -162.33384 -155.78020 6.55364 2.43920 -154.86385 767.12668
4460.0000 -163.09252 -156.39935 6.69317 2.37015 -155.99166 710.82635
4465.0000 -161.32557 -156.69786 4.62771 2.36179 -156.12819 713.71435
4470.0000 -162.91091 -155.58368 7.32723 2.35195 -156.28890 708.47959
4475.0000 -162.47685 -155.78348 6.69337 2.37296 -155.94575 715.29029
4480.0000 -160.38133 -153.39524 6.98609 2.44953 -154.69524 775.19687
4485.0000 -161.08791 -154.58082 6.50710 2.48238 -154.15877 780.82582
4490.0000 -161.20330 -155.48176 5.72153 2.39740 -155.54664 712.94232
4495.0000 -160.60071 -153.89795 6.70276 2.48087 -154.18335 793.45042
4500.0000 -160.57330 -151.91835 8.65495 2.56359 -152.83236 853.56521
FREEZING PROCESS: loop number 19 T-loop= 767.00000000000000
main_MD> interactions number 19 at Temperature= 767.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.27261 -0.50192 0.04685
force_rgl> df(natom) 0.22807 -0.61909 -2.60030
4505.0000 -160.78715 -154.07620 6.71095 2.56594 -152.79406 830.48804
4510.0000 -161.33259 -153.86023 7.47237 2.50530 -153.78446 814.67220
4515.0000 -161.19194 -154.46324 6.72870 2.48551 -154.10759 786.72754
4520.0000 -161.04396 -155.48484 5.55911 2.42669 -155.06819 752.12292
4525.0000 -161.66450 -154.55174 7.11276 2.39014 -155.66506 720.28454
4530.0000 -162.73315 -155.48967 7.24348 2.42574 -155.08369 788.74269
4535.0000 -161.32324 -154.88826 6.43498 2.39774 -155.54102 743.87412
4540.0000 -161.12647 -155.16136 5.96511 2.43162 -154.98767 747.53010
4545.0000 -160.95798 -153.78505 7.17293 2.48655 -154.09056 799.35924
4550.0000 -160.14266 -153.42908 6.71358 2.51298 -153.65900 803.00256
4555.0000 -161.38875 -154.13747 7.25128 2.52139 -153.52160 831.27176
4560.0000 -162.36269 -155.82990 6.53279 2.42024 -155.17354 728.41880
4565.0000 -160.82556 -153.44833 7.37723 2.42669 -155.06821 757.58499
4570.0000 -160.86937 -154.27702 6.59235 2.48192 -154.16624 768.60520
4575.0000 -160.28569 -152.85550 7.43018 2.51938 -153.55452 824.31772
4580.0000 -159.25259 -152.27538 6.97722 2.64451 -151.51084 878.24420
4585.0000 -160.99571 -154.05069 6.94502 2.59616 -152.30042 870.66413
4590.0000 -159.81538 -153.49238 6.32300 2.50081 -153.85772 820.95127
4595.0000 -160.53813 -154.00739 6.53074 2.49647 -153.92863 753.51526
4600.0000 -161.15785 -152.90645 8.25140 2.52173 -153.51611 802.99353
4605.0000 -159.60536 -153.16384 6.44152 2.54453 -153.14363 798.30695
4610.0000 -159.94073 -152.28337 7.65737 2.59018 -152.39816 844.08998
4615.0000 -161.61242 -155.08411 6.52831 2.50869 -153.72910 813.61305
4620.0000 -159.18929 -152.23358 6.95571 2.49362 -153.97520 811.38883
4625.0000 -161.25474 -154.61452 6.64022 2.53136 -153.35884 831.78563
4630.0000 -160.05289 -153.99657 6.05632 2.43780 -154.88680 748.58157
4635.0000 -161.26656 -154.62356 6.64299 2.49756 -153.91086 781.62040
4640.0000 -160.38438 -153.84057 6.54380 2.46461 -154.44894 784.61753
4645.0000 -161.45899 -155.72857 5.73042 2.44675 -154.74055 734.14068
4650.0000 -161.74952 -154.60339 7.14613 2.46732 -154.40470 760.84306
4655.0000 -161.19015 -153.85124 7.33891 2.50271 -153.82667 817.81818
4660.0000 -160.85375 -154.83719 6.01656 2.49140 -154.01134 812.88543
4665.0000 -162.34983 -155.80172 6.54811 2.38535 -155.74332 709.39993
4670.0000 -159.50763 -153.69306 5.81457 2.48635 -154.09394 785.81776
4675.0000 -161.91247 -155.61232 6.30015 2.46383 -154.46168 781.59612
4680.0000 -162.87620 -156.55494 6.32126 2.33540 -156.55921 697.93077
4685.0000 -161.73791 -154.41877 7.31914 2.37548 -155.90451 710.21408
4690.0000 -159.90621 -153.49691 6.40930 2.46497 -154.44301 760.11560
4695.0000 -161.20750 -155.12685 6.08065 2.46785 -154.39609 789.33842
4700.0000 -161.35311 -155.11149 6.24162 2.42989 -155.01593 751.52596
4705.0000 -161.59915 -154.97354 6.62561 2.44522 -154.76567 763.68545
4710.0000 -160.21128 -153.39339 6.81789 2.47894 -154.21497 778.36514
4715.0000 -161.41663 -154.42304 6.99359 2.47745 -154.23929 782.17804
4720.0000 -160.65047 -153.15540 7.49507 2.46239 -154.48524 781.52940
4725.0000 -160.84809 -155.02734 5.82075 2.48761 -154.07325 811.87561
4730.0000 -160.01750 -154.54272 5.47478 2.39630 -155.56453 730.88765
4735.0000 -160.81463 -154.31938 6.49526 2.47519 -154.27613 795.60306
4740.0000 -160.82435 -153.86781 6.95653 2.45534 -154.60034 741.48134
4745.0000 -161.15855 -154.74082 6.41773 2.45479 -154.60922 760.43016
4750.0000 -161.41678 -154.99487 6.42191 2.41919 -155.19065 761.47952
FREEZING PROCESS: loop number 20 T-loop= 742.00000000000000
main_MD> interactions number 20 at Temperature= 742.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.77849 0.46584 -2.55560
force_rgl> df(natom) -1.01709 -1.57071 2.18480
4755.0000 -161.63557 -155.59693 6.03865 2.41343 -155.28470 750.24000
4760.0000 -162.30364 -155.82351 6.48013 2.41912 -155.19180 759.76261
4765.0000 -162.09625 -155.18461 6.91165 2.42650 -155.07125 772.13802
4770.0000 -162.80584 -156.10516 6.70069 2.39522 -155.58219 716.14029
4775.0000 -161.40838 -155.89254 5.51584 2.34401 -156.41855 704.41970
4780.0000 -162.40463 -156.46065 5.94398 2.36933 -156.00506 730.27228
4785.0000 -162.66612 -156.07371 6.59242 2.32709 -156.69486 698.43616
4790.0000 -161.42076 -155.20814 6.21263 2.41242 -155.30126 739.95559
4795.0000 -161.14299 -153.90162 7.24137 2.39412 -155.60021 744.17171
4800.0000 -160.32352 -153.70350 6.62002 2.53798 -153.25071 817.47881
4805.0000 -160.92567 -154.89662 6.02904 2.44846 -154.71261 745.40755
4810.0000 -162.76884 -155.09276 7.67608 2.41805 -155.20931 743.60811
4815.0000 -161.42711 -154.46882 6.95829 2.40497 -155.42300 754.08942
4820.0000 -162.15756 -156.55464 5.60292 2.36675 -156.04711 725.23429
4825.0000 -161.31206 -154.44734 6.86472 2.38252 -155.78958 728.25115
4830.0000 -160.97133 -154.07502 6.89631 2.44513 -154.76700 795.31553
4835.0000 -160.68719 -153.93448 6.75271 2.48069 -154.18637 780.27910
4840.0000 -160.18440 -154.25124 5.93316 2.48870 -154.05552 813.07306
4845.0000 -160.83022 -154.28624 6.54397 2.42328 -155.12394 752.85350
4850.0000 -161.66503 -156.14411 5.52092 2.40792 -155.37476 774.65672
4855.0000 -161.90139 -155.28502 6.61637 2.42421 -155.10880 783.30931
4860.0000 -162.23714 -156.25677 5.98037 2.35908 -156.17240 713.10567
4865.0000 -162.65559 -156.80642 5.84917 2.37159 -155.96804 721.64775
4870.0000 -161.76591 -156.14496 5.62095 2.35442 -156.24853 704.58778
4875.0000 -162.90812 -156.76099 6.14713 2.36259 -156.11511 714.48033
4880.0000 -161.96842 -155.15436 6.81406 2.39848 -155.52891 734.21636
4885.0000 -161.15342 -155.39119 5.76223 2.43370 -154.95378 761.89740
4890.0000 -160.08201 -154.48312 5.59889 2.42092 -155.16251 731.06828
4895.0000 -162.21125 -154.99472 7.21653 2.46155 -154.49893 787.95634
4900.0000 -161.86104 -155.96414 5.89690 2.38853 -155.69140 734.78513
4905.0000 -163.24342 -157.45033 5.79310 2.30173 -157.10901 670.42074
4910.0000 -161.28309 -155.15601 6.12708 2.36061 -156.14744 706.93827
4915.0000 -160.99461 -154.35365 6.64095 2.42092 -155.16239 762.47496
4920.0000 -162.11446 -155.20938 6.90508 2.48648 -154.09174 785.11366
4925.0000 -162.23605 -155.62635 6.60970 2.41538 -155.25288 749.72237
4930.0000 -161.64731 -155.30001 6.34729 2.39412 -155.60016 727.45875
4935.0000 -161.01078 -155.00700 6.00378 2.41685 -155.22891 733.79886
4940.0000 -161.01778 -155.50587 5.51191 2.42299 -155.12869 761.39427
4945.0000 -161.46331 -155.05950 6.40381 2.45017 -154.68481 748.81515
4950.0000 -161.77817 -155.93707 5.84110 2.41972 -155.18197 752.00514
4955.0000 -162.47140 -155.42232 7.04908 2.37195 -155.96225 735.10357
4960.0000 -159.66148 -152.25658 7.40490 2.48189 -154.16669 777.64361
4965.0000 -161.37965 -155.48727 5.89239 2.46759 -154.40023 774.29447
4970.0000 -160.84064 -154.39531 6.44533 2.42773 -155.05124 736.22636
4975.0000 -162.35457 -156.07864 6.27593 2.41445 -155.26816 720.44421
4980.0000 -161.96677 -155.15085 6.81593 2.38354 -155.77297 727.81163
4985.0000 -162.44643 -156.17057 6.27586 2.40358 -155.44560 739.74443
4990.0000 -162.78775 -156.37615 6.41160 2.32739 -156.68999 675.09864
4995.0000 -162.64455 -155.67245 6.97211 2.37578 -155.89959 710.21818
5000.0000 -162.33083 -156.80030 5.53054 2.32658 -156.70316 690.64774
FREEZING PROCESS: loop number 21 T-loop= 717.00000000000000
main_MD> interactions number 21 at Temperature= 717.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.34081 4.68724 0.24858
force_rgl> df(natom) 0.40171 -1.04024 0.01825
5005.0000 -161.77757 -156.01643 5.76114 2.36151 -156.13267 689.12973
5010.0000 -161.63653 -154.84882 6.78771 2.38458 -155.75601 728.35047
5015.0000 -163.23957 -156.76788 6.47169 2.40267 -155.46057 750.54954
5020.0000 -163.58705 -157.05362 6.53343 2.28848 -157.32537 678.01603
5025.0000 -161.59054 -154.89112 6.69943 2.36223 -156.12096 738.86877
5030.0000 -162.58358 -156.50935 6.07423 2.37897 -155.84749 737.46408
5035.0000 -163.30304 -156.54891 6.75414 2.35683 -156.20920 742.84606
5040.0000 -161.11025 -155.15612 5.95413 2.39053 -155.65878 764.84197
5045.0000 -161.27657 -155.47526 5.80132 2.42473 -155.10017 755.97388
5050.0000 -162.73346 -156.88791 5.84555 2.37593 -155.89719 719.03243
5055.0000 -163.56317 -157.53745 6.02572 2.27623 -157.52554 655.66771
5060.0000 -162.64473 -156.08327 6.56146 2.30215 -157.10222 678.68668
5065.0000 -162.55159 -155.79713 6.75446 2.37140 -155.97111 744.95433
5070.0000 -162.41136 -157.02534 5.38601 2.36157 -156.13176 721.21369
5075.0000 -163.36294 -157.83154 5.53140 2.29454 -157.22642 695.41368
5080.0000 -163.67231 -157.95117 5.72113 2.29916 -157.15091 698.30954
5085.0000 -162.81800 -156.31301 6.50498 2.26727 -157.67177 665.97497
5090.0000 -164.04528 -157.37564 6.66964 2.28290 -157.41648 672.59339
5095.0000 -163.75321 -157.75641 5.99679 2.25740 -157.83292 654.78426
5100.0000 -162.35991 -156.28972 6.07019 2.30620 -157.03596 666.18715
5105.0000 -162.24037 -155.33342 6.90695 2.38223 -155.79435 730.49001
5110.0000 -161.26526 -154.90196 6.36330 2.40973 -155.34522 719.87596
5115.0000 -160.52146 -154.06860 6.45287 2.47594 -154.26385 789.44350
5120.0000 -160.53685 -153.47286 7.06399 2.48907 -154.04947 777.99348
5125.0000 -160.16611 -154.15947 6.00664 2.52247 -153.50401 798.39172
5130.0000 -161.80719 -156.16385 5.64334 2.42930 -155.02564 741.67814
5135.0000 -161.91067 -156.34231 5.56836 2.31722 -156.85611 665.88233
5140.0000 -160.86935 -155.05699 5.81236 2.39667 -155.55856 725.68965
5145.0000 -162.10667 -155.15182 6.95484 2.45238 -154.64864 769.61086
5150.0000 -162.54648 -156.38672 6.15976 2.36918 -156.00739 715.72280
5155.0000 -162.87531 -156.75006 6.12525 2.33763 -156.52264 664.19222
5160.0000 -161.54895 -155.93070 5.61825 2.32384 -156.74790 684.94497
5165.0000 -163.22792 -157.09090 6.13702 2.35179 -156.29138 741.32497
5170.0000 -162.60414 -156.49544 6.10870 2.32158 -156.78476 684.73002
5175.0000 -163.44907 -157.09953 6.34953 2.34753 -156.36104 717.26690
5180.0000 -162.33967 -155.28059 7.05908 2.35332 -156.26649 707.57989
5185.0000 -161.47501 -155.69616 5.77885 2.40265 -155.46080 729.95255
5190.0000 -162.00479 -155.82352 6.18127 2.36429 -156.08731 741.90968
5195.0000 -162.13141 -155.58900 6.54242 2.39940 -155.51392 745.70375
5200.0000 -161.13937 -155.16991 5.96945 2.41346 -155.28435 724.35271
5205.0000 -161.74281 -155.79697 5.94584 2.38934 -155.67821 723.16726
5210.0000 -161.87003 -156.26302 5.60701 2.39402 -155.60183 750.19147
5215.0000 -161.38301 -154.48716 6.89585 2.40225 -155.46737 752.17783
5220.0000 -163.10511 -155.95880 7.14631 2.41312 -155.28983 753.29876
5225.0000 -161.65416 -155.08872 6.56545 2.38911 -155.68191 744.51032
5230.0000 -161.42628 -155.75565 5.67063 2.38373 -155.76989 722.69455
5235.0000 -162.55515 -157.95550 4.59965 2.32041 -156.80391 674.66374
5240.0000 -161.51289 -156.14315 5.36973 2.32054 -156.80184 672.62511
5245.0000 -159.96106 -153.81727 6.14379 2.43557 -154.92320 741.41197
5250.0000 -161.45692 -155.32783 6.12910 2.48087 -154.18342 783.56553
FREEZING PROCESS: loop number 22 T-loop= 692.00000000000000
main_MD> interactions number 22 at Temperature= 692.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56553 0.70206 2.32954
force_rgl> df(natom) -2.76230 -1.61885 0.03785
5255.0000 -162.69143 -157.08620 5.60523 2.31454 -156.89979 682.74822
5260.0000 -161.37796 -155.61467 5.76329 2.33603 -156.54889 727.08232
5265.0000 -160.25110 -154.34453 5.90657 2.41821 -155.20666 763.96539
5270.0000 -161.72598 -156.27895 5.44703 2.40225 -155.46742 718.40614
5275.0000 -162.42867 -155.37767 7.05100 2.38089 -155.81624 724.27019
5280.0000 -161.01179 -155.95360 5.05819 2.40057 -155.49487 739.30763
5285.0000 -162.87439 -157.20961 5.66477 2.32785 -156.68248 661.38259
5290.0000 -164.65243 -158.58492 6.06751 2.28245 -157.42392 670.33734
5295.0000 -162.49103 -157.69203 4.79900 2.25335 -157.89922 639.64327
5300.0000 -162.46023 -156.82833 5.63190 2.26852 -157.65135 633.65887
5305.0000 -164.05163 -157.70327 6.34836 2.30749 -157.01501 678.13439
5310.0000 -162.66143 -156.13614 6.52529 2.31704 -156.85892 663.32946
5315.0000 -161.45217 -154.95149 6.50067 2.39140 -155.64459 715.46757
5320.0000 -162.41820 -155.66104 6.75716 2.44326 -154.79767 766.72076
5325.0000 -161.78484 -154.99489 6.78996 2.41242 -155.30126 752.22323
5330.0000 -161.15995 -155.66764 5.49232 2.41189 -155.30988 723.79550
5335.0000 -162.24338 -156.95124 5.29214 2.36169 -156.12979 703.79722
5340.0000 -162.81050 -156.62886 6.18164 2.32079 -156.79767 698.74345
5345.0000 -162.55715 -156.18920 6.36796 2.33595 -156.55017 709.31926
5350.0000 -163.17504 -156.82277 6.35227 2.30070 -157.12591 682.09176
5355.0000 -163.36664 -157.70767 5.65897 2.28350 -157.40681 658.24297
5360.0000 -163.45625 -156.30380 7.15245 2.36742 -156.03614 712.38832
5365.0000 -162.33986 -156.21541 6.12444 2.31182 -156.94422 681.39603
5370.0000 -163.26458 -157.20089 6.06369 2.29069 -157.28935 684.79701
5375.0000 -163.58168 -158.10965 5.47203 2.24924 -157.96633 643.53204
5380.0000 -162.51573 -156.74218 5.77355 2.28868 -157.32218 668.87374
5385.0000 -161.43222 -155.81288 5.61934 2.33706 -156.53201 678.25891
5390.0000 -161.11970 -156.07734 5.04236 2.38493 -155.75017 733.35216
5395.0000 -162.14114 -157.26230 4.87885 2.34422 -156.41501 673.36375
5400.0000 -163.76427 -157.41246 6.35181 2.33404 -156.58130 708.40763
5405.0000 -162.29469 -155.90862 6.38606 2.31291 -156.92648 684.31251
5410.0000 -162.42308 -156.35324 6.06984 2.37686 -155.88199 723.05193
5415.0000 -161.21269 -156.26476 4.94793 2.35722 -156.20272 686.00653
5420.0000 -162.68003 -156.16129 6.51874 2.40091 -155.48925 727.79443
5425.0000 -162.01937 -156.22362 5.79574 2.31308 -156.92361 684.68413
5430.0000 -162.35393 -156.49518 5.85875 2.32459 -156.73572 696.20177
5435.0000 -163.88780 -157.68423 6.20357 2.27095 -157.61163 657.32463
5440.0000 -163.16419 -157.31757 5.84663 2.29587 -157.20476 660.80714
5445.0000 -163.44190 -157.97588 5.46602 2.28554 -157.37342 675.48441
5450.0000 -162.78618 -155.91226 6.87392 2.35916 -156.17111 717.84069
5455.0000 -163.60056 -158.49858 5.10198 2.32072 -156.79881 684.95589
5460.0000 -162.81695 -156.76557 6.05138 2.24459 -158.04216 638.95842
5465.0000 -162.74303 -156.24769 6.49534 2.38684 -155.71899 722.26958
5470.0000 -163.06224 -157.07790 5.98434 2.37980 -155.83404 726.86955
5475.0000 -161.56460 -157.31004 4.25457 2.32344 -156.75452 670.08578
5480.0000 -162.88048 -157.26803 5.61244 2.29353 -157.24298 625.70047
5485.0000 -162.86832 -156.56745 6.30087 2.32677 -156.70014 673.16681
5490.0000 -161.94577 -155.98886 5.95691 2.33808 -156.51543 699.95754
5495.0000 -162.59000 -155.72307 6.86693 2.39483 -155.58853 716.41015
5500.0000 -162.74821 -156.10578 6.64244 2.37987 -155.83280 724.98182
FREEZING PROCESS: loop number 23 T-loop= 667.00000000000000
main_MD> interactions number 23 at Temperature= 667.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33990 4.95844 -4.54828
force_rgl> df(natom) 2.76357 -4.51051 1.80828
5505.0000 -162.40740 -157.20557 5.20183 2.30512 -157.05359 675.86019
5510.0000 -162.63902 -157.37346 5.26556 2.27846 -157.48902 660.11826
5515.0000 -161.81098 -156.23940 5.57158 2.33424 -156.57808 709.00567
5520.0000 -162.62965 -157.29525 5.33440 2.30738 -157.01672 671.80289
5525.0000 -162.20740 -156.10031 6.10709 2.31844 -156.83604 665.59229
5530.0000 -162.79300 -157.21788 5.57512 2.33527 -156.56133 710.34501
5535.0000 -164.13515 -157.34600 6.78915 2.25391 -157.88994 628.32681
5540.0000 -163.65187 -158.33844 5.31343 2.23525 -158.19473 639.86833
5545.0000 -164.03761 -159.02661 5.01100 2.18190 -159.06599 594.48301
5550.0000 -162.34143 -157.25584 5.08558 2.26300 -157.74148 663.53133
5555.0000 -163.28352 -157.70724 5.57628 2.24487 -158.03766 617.45187
5560.0000 -163.36823 -157.26380 6.10443 2.28040 -157.45743 669.57152
5565.0000 -163.75775 -158.60549 5.15226 2.23956 -158.12441 622.36489
5570.0000 -163.99211 -157.63438 6.35773 2.22585 -158.34826 608.75238
5575.0000 -161.97351 -155.34495 6.62856 2.36551 -156.06737 725.56046
5580.0000 -162.83932 -156.99147 5.84785 2.35595 -156.22347 727.94731
5585.0000 -162.34688 -157.32716 5.01973 2.28068 -157.45275 665.03091
5590.0000 -164.11849 -158.72872 5.38977 2.21399 -158.54203 629.16070
5595.0000 -164.51527 -158.64020 5.87507 2.17978 -159.10072 621.23270
5600.0000 -165.01419 -158.82397 6.19022 2.22063 -158.43347 658.64921
5605.0000 -164.14663 -158.49223 5.65441 2.21702 -158.49248 625.18491
5610.0000 -164.33985 -159.07197 5.26789 2.22630 -158.34085 649.76255
5615.0000 -165.43227 -159.91726 5.51502 2.19735 -158.81371 646.77753
5620.0000 -163.65559 -157.20202 6.45357 2.19999 -158.77060 615.79539
5625.0000 -163.51753 -157.61796 5.89958 2.31744 -156.85243 714.67691
5630.0000 -162.20103 -156.83977 5.36126 2.26448 -157.71737 665.50528
5635.0000 -161.54358 -156.66638 4.87720 2.32706 -156.69533 672.10278
5640.0000 -161.16167 -155.08134 6.08034 2.38120 -155.81108 719.18601
5645.0000 -161.88785 -155.32185 6.56600 2.42501 -155.09564 736.13202
5650.0000 -162.00487 -157.32543 4.67944 2.33903 -156.49988 685.07853
5655.0000 -162.33528 -157.32047 5.01481 2.34767 -156.35875 696.46058
5660.0000 -162.59182 -157.31659 5.27523 2.27729 -157.50824 624.56334
5665.0000 -162.62928 -155.92305 6.70623 2.29461 -157.22534 655.33497
5670.0000 -163.82912 -157.62882 6.20030 2.32608 -156.71132 711.12064
5675.0000 -164.15013 -158.43195 5.71818 2.25000 -157.95388 646.87807
5680.0000 -164.12264 -157.74403 6.37861 2.24619 -158.01613 651.30785
5685.0000 -163.44921 -157.69869 5.75052 2.31510 -156.89071 692.19933
5690.0000 -163.47870 -158.01154 5.46716 2.29164 -157.27388 664.71733
5695.0000 -162.43288 -156.62059 5.81230 2.25322 -157.90129 639.66057
5700.0000 -162.05765 -157.47413 4.58352 2.28946 -157.30943 656.36517
5705.0000 -163.02454 -156.57608 6.44846 2.27616 -157.52661 664.61203
5710.0000 -163.12219 -158.29782 4.82436 2.27664 -157.51874 639.36482
5715.0000 -162.67292 -157.51740 5.15553 2.27879 -157.48366 643.08708
5720.0000 -161.78754 -156.25037 5.53717 2.31326 -156.92065 685.61762
5725.0000 -162.25804 -157.30500 4.95303 2.34028 -156.47948 685.23926
5730.0000 -161.97544 -156.54272 5.43272 2.28222 -157.42758 672.20861
5735.0000 -161.96942 -155.58174 6.38768 2.36770 -156.03156 725.51519
5740.0000 -162.26081 -156.48755 5.77326 2.35992 -156.15874 696.12505
5745.0000 -163.84861 -158.39562 5.45299 2.29958 -157.14408 676.45715
5750.0000 -162.05944 -156.41685 5.64259 2.28658 -157.35646 673.51422
FREEZING PROCESS: loop number 24 T-loop= 642.00000000000000
main_MD> interactions number 24 at Temperature= 642.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.43090 1.18665 0.51282
force_rgl> df(natom) 1.22828 -3.36910 -0.99811
5755.0000 -163.12645 -158.25119 4.87526 2.34576 -156.38998 698.56186
5760.0000 -163.25242 -158.27865 4.97377 2.22482 -158.36514 606.25315
5765.0000 -163.18532 -157.07720 6.10812 2.24184 -158.08707 631.26164
5770.0000 -163.68460 -158.57607 5.10854 2.28967 -157.30596 627.99593
5775.0000 -163.37176 -157.11172 6.26005 2.24915 -157.96781 605.82172
5780.0000 -162.52500 -156.46109 6.06391 2.28377 -157.40227 648.92179
5785.0000 -162.83246 -156.18611 6.64634 2.35597 -156.22312 711.03037
5790.0000 -163.02018 -157.51515 5.50504 2.30211 -157.10276 666.39418
5795.0000 -163.18836 -156.86306 6.32530 2.26180 -157.76121 650.91930
5800.0000 -164.08141 -158.51750 5.56391 2.22701 -158.32939 599.79041
5805.0000 -163.90811 -158.51763 5.39048 2.21265 -158.56381 613.62856
5810.0000 -163.10600 -157.49735 5.60865 2.23554 -158.19001 652.14203
5815.0000 -164.49382 -157.95618 6.53764 2.23057 -158.27120 639.95365
5820.0000 -164.49918 -158.32787 6.17131 2.16975 -159.26453 607.33673
5825.0000 -163.45997 -158.40683 5.05313 2.27724 -157.50903 681.86175
5830.0000 -162.21001 -157.48389 4.72612 2.25011 -157.95198 646.27932
5835.0000 -163.51294 -157.15913 6.35381 2.31265 -156.93060 685.03009
5840.0000 -163.46449 -158.38698 5.07751 2.27394 -157.56287 660.36167
5845.0000 -163.52152 -157.97715 5.54437 2.26826 -157.65560 669.88662
5850.0000 -164.44820 -158.79915 5.64905 2.22404 -158.37787 604.06382
5855.0000 -163.74067 -158.00108 5.73960 2.24189 -158.08626 619.25055
5860.0000 -163.45414 -157.02650 6.42764 2.26281 -157.74462 646.32381
5865.0000 -163.37986 -158.41836 4.96149 2.23380 -158.21838 648.65631
5870.0000 -163.66756 -158.48958 5.17798 2.22773 -158.31761 635.99487
5875.0000 -163.68741 -157.96602 5.72139 2.21023 -158.60329 607.13408
5880.0000 -162.47117 -157.82742 4.64375 2.22884 -158.29944 627.70106
5885.0000 -162.78667 -157.87346 4.91320 2.26115 -157.77177 639.99783
5890.0000 -162.31490 -157.05620 5.25870 2.32172 -156.78260 668.24206
5895.0000 -162.96214 -157.94979 5.01234 2.29781 -157.17311 664.93260
5900.0000 -163.27707 -157.71225 5.56483 2.24081 -158.10402 606.72768
5905.0000 -163.52492 -158.61096 4.91396 2.21999 -158.44389 581.27154
5910.0000 -163.84402 -159.17620 4.66782 2.19557 -158.84286 574.62726
5915.0000 -163.93622 -157.66280 6.27342 2.22282 -158.39778 603.62617
5920.0000 -163.03693 -156.68113 6.35580 2.30535 -157.04985 670.86326
5925.0000 -162.66796 -157.28284 5.38513 2.28995 -157.30141 639.67584
5930.0000 -163.05358 -158.51006 4.54352 2.28537 -157.37625 635.08874
5935.0000 -163.51919 -157.65949 5.85970 2.23768 -158.15509 629.93308
5940.0000 -164.66764 -159.87145 4.79619 2.19729 -158.81461 617.30395
5945.0000 -163.11573 -157.51396 5.60177 2.17936 -159.10754 597.26736
5950.0000 -163.00361 -156.97852 6.02509 2.27383 -157.56468 637.57782
5955.0000 -162.15469 -157.50947 4.64523 2.29620 -157.19933 657.30209
5960.0000 -163.84950 -158.39580 5.45370 2.26471 -157.71357 649.20614
5965.0000 -163.16287 -158.45895 4.70393 2.23764 -158.15564 643.61562
5970.0000 -162.42117 -157.75174 4.66943 2.24550 -158.02733 640.51380
5975.0000 -163.37452 -157.37847 5.99606 2.27950 -157.47203 648.81274
5980.0000 -162.52527 -157.14305 5.38222 2.29534 -157.21338 655.24262
5985.0000 -162.44951 -156.55074 5.89876 2.33135 -156.62526 670.96182
5990.0000 -163.86062 -158.45377 5.40685 2.24355 -158.05926 639.37073
5995.0000 -164.29051 -158.84424 5.44628 2.22057 -158.43451 619.55563
6000.0000 -164.45333 -159.21561 5.23772 2.17644 -159.15523 589.16296
FREEZING PROCESS: loop number 25 T-loop= 617.00000000000000
main_MD> interactions number 25 at Temperature= 617.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96789 0.05243 -0.14254
force_rgl> df(natom) -0.67696 -0.64759 -0.80604
6005.0000 -164.25056 -158.78887 5.46169 2.18298 -159.04836 602.35685
6010.0000 -163.54904 -159.00931 4.53973 2.18423 -159.02797 597.71234
6015.0000 -164.50083 -159.75027 4.75056 2.15501 -159.50521 562.03037
6020.0000 -165.55553 -161.07377 4.48176 2.10024 -160.39969 543.19249
6025.0000 -165.12589 -160.28650 4.83939 2.08989 -160.56871 545.37777
6030.0000 -163.92115 -158.61227 5.30888 2.16326 -159.37044 577.75520
6035.0000 -163.11148 -159.03006 4.08142 2.22675 -158.33361 624.97561
6040.0000 -164.65416 -159.82796 4.82619 2.17733 -159.14060 589.01357
6045.0000 -165.64941 -160.59755 5.05186 2.14556 -159.65953 566.23884
6050.0000 -164.80580 -159.73528 5.07053 2.12284 -160.03054 548.01611
6055.0000 -164.63817 -159.76266 4.87552 2.13761 -159.78940 552.08396
6060.0000 -165.38584 -160.37579 5.01006 2.12124 -160.05673 558.25661
6065.0000 -165.07702 -160.50187 4.57515 2.09248 -160.52639 545.35812
6070.0000 -164.90824 -160.32396 4.58427 2.10477 -160.32565 536.03367
6075.0000 -164.46219 -158.78438 5.67781 2.13317 -159.86184 562.43430
6080.0000 -163.50601 -158.37113 5.13488 2.19524 -158.84815 612.95362
6085.0000 -163.50156 -158.52131 4.98025 2.17485 -159.18115 591.92677
6090.0000 -163.61090 -158.87214 4.73877 2.23027 -158.27605 620.09600
6095.0000 -163.20357 -157.63979 5.56378 2.22975 -158.28451 614.01351
6100.0000 -163.09364 -158.75472 4.33892 2.23940 -158.12696 607.99685
6105.0000 -163.38427 -158.26415 5.12012 2.22699 -158.32972 619.36159
6110.0000 -163.38723 -158.44755 4.93968 2.23427 -158.21070 628.66459
6115.0000 -163.84761 -158.73292 5.11469 2.22541 -158.35548 633.05278
6120.0000 -163.75287 -158.67272 5.08014 2.19537 -158.84603 598.94871
6125.0000 -163.71760 -159.14063 4.57697 2.21084 -158.59337 619.53293
6130.0000 -164.37852 -159.02518 5.35334 2.16756 -159.30029 596.78048
6135.0000 -164.23992 -157.39035 6.84957 2.21071 -158.59556 631.12833
6140.0000 -164.28259 -158.60616 5.67643 2.22619 -158.34263 631.12127
6145.0000 -164.17570 -159.60975 4.56595 2.20080 -158.75734 586.16950
6150.0000 -164.04148 -159.39720 4.64428 2.17359 -159.20175 575.43622
6155.0000 -164.94389 -159.02916 5.91474 2.14463 -159.67478 567.34574
6160.0000 -164.17544 -159.21185 4.96359 2.15604 -159.48843 575.99303
6165.0000 -163.42321 -157.97926 5.44395 2.21662 -158.49905 611.72435
6170.0000 -164.60938 -159.27998 5.32939 2.17954 -159.10465 614.26199
6175.0000 -163.72790 -158.34419 5.38371 2.21174 -158.57863 607.86366
6180.0000 -164.14505 -158.87805 5.26701 2.22263 -158.40091 641.79843
6185.0000 -163.70951 -158.09627 5.61323 2.22401 -158.37833 647.07133
6190.0000 -163.51420 -157.80768 5.70652 2.25345 -157.89746 639.83577
6195.0000 -163.68814 -157.90665 5.78148 2.25733 -157.83420 648.45263
6200.0000 -164.16810 -158.87432 5.29378 2.19707 -158.81824 601.24251
6205.0000 -164.21298 -158.77446 5.43853 2.20311 -158.71958 624.36221
6210.0000 -162.67115 -157.42722 5.24393 2.24407 -158.05064 642.55092
6215.0000 -163.67738 -158.25747 5.41990 2.27319 -157.57520 668.02906
6220.0000 -163.52974 -157.42986 6.09987 2.25502 -157.87182 650.74525
6225.0000 -163.61958 -158.07250 5.54708 2.25586 -157.85808 644.94870
6230.0000 -162.85063 -158.76243 4.08820 2.19724 -158.81554 621.58578
6235.0000 -163.77221 -158.34532 5.42689 2.23623 -158.17878 647.94827
6240.0000 -163.39098 -157.38488 6.00610 2.24353 -158.05957 644.56206
6245.0000 -162.57691 -156.58830 5.98860 2.29973 -157.14169 673.12204
6250.0000 -165.04165 -159.68647 5.35518 2.19084 -158.92005 599.98292
FREEZING PROCESS: loop number 26 T-loop= 592.00000000000000
main_MD> interactions number 26 at Temperature= 592.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.32642 0.00670 2.37478
force_rgl> df(natom) 4.15602 -0.97714 1.76776
6255.0000 -164.09785 -159.95444 4.14342 2.13265 -159.87041 561.57563
6260.0000 -165.15365 -159.99294 5.16071 2.11956 -160.08422 538.42796
6265.0000 -165.20171 -160.60135 4.60036 2.08620 -160.62892 538.09807
6270.0000 -164.68063 -159.72132 4.95931 2.10906 -160.25564 578.85683
6275.0000 -164.05757 -159.52580 4.53176 2.18546 -159.00789 616.79911
6280.0000 -163.61712 -158.75080 4.86632 2.16805 -159.29223 578.85464
6285.0000 -165.11373 -160.32179 4.79194 2.19869 -158.79191 597.72406
6290.0000 -163.12455 -158.31709 4.80746 2.19341 -158.87808 606.17659
6295.0000 -164.25069 -158.86159 5.38911 2.17935 -159.10768 590.70715
6300.0000 -163.08328 -158.66520 4.41809 2.23600 -158.18245 627.66001
6305.0000 -164.68410 -159.37733 5.30678 2.20000 -158.77045 601.31938
6310.0000 -165.46524 -160.15187 5.31337 2.12658 -159.96948 555.10014
6315.0000 -165.11472 -160.72571 4.38901 2.08907 -160.58212 528.32445
6320.0000 -164.85350 -159.39210 5.46139 2.10950 -160.24838 554.36106
6325.0000 -163.49762 -159.02715 4.47047 2.15576 -159.49299 559.92643
6330.0000 -163.50020 -159.09100 4.40920 2.18962 -158.93999 586.89656
6335.0000 -163.45138 -157.57468 5.87671 2.24190 -158.08614 629.75539
6340.0000 -163.33912 -158.92066 4.41846 2.23629 -158.17774 634.58996
6345.0000 -162.79585 -157.67959 5.11626 2.22639 -158.33939 615.39688
6350.0000 -163.90154 -159.00506 4.89648 2.23342 -158.22460 614.49953
6355.0000 -164.20706 -159.35042 4.85664 2.17934 -159.10788 592.63212
6360.0000 -164.05424 -159.17120 4.88304 2.20490 -158.69034 622.27634
6365.0000 -163.30533 -158.63883 4.66650 2.16118 -159.40437 583.02393
6370.0000 -164.61327 -160.30336 4.30991 2.15454 -159.51292 584.28794
6375.0000 -165.36372 -160.84526 4.51847 2.07607 -160.79448 520.22867
6380.0000 -165.13711 -160.43363 4.70348 2.09576 -160.47276 538.35656
6385.0000 -165.37054 -160.63636 4.73419 2.11316 -160.18860 561.05712
6390.0000 -165.20616 -160.99421 4.21196 2.05471 -161.14333 490.61998
6395.0000 -165.02236 -159.25214 5.77021 2.13326 -159.86045 570.08935
6400.0000 -164.43552 -158.92902 5.50650 2.16941 -159.26994 593.69651
6405.0000 -164.26713 -160.12719 4.13995 2.14300 -159.70127 562.19062
6410.0000 -165.21370 -160.74596 4.46774 2.09503 -160.48480 543.52896
6415.0000 -164.42298 -159.02959 5.39340 2.11201 -160.20749 549.47278
6420.0000 -164.99290 -159.39425 5.59865 2.13300 -159.86460 572.37934
6425.0000 -163.95045 -158.59005 5.36040 2.15880 -159.44328 589.46388
6430.0000 -165.17652 -160.64293 4.53359 2.18171 -159.06914 591.60445
6435.0000 -164.80070 -159.57872 5.22199 2.12909 -159.92855 566.47813
6440.0000 -165.52289 -160.39648 5.12641 2.11763 -160.11565 562.63470
6445.0000 -165.25154 -160.40949 4.84204 2.07758 -160.76982 536.57483
6450.0000 -165.43551 -160.75997 4.67554 2.13162 -159.88725 548.76359
6455.0000 -164.45165 -159.48785 4.96380 2.11495 -160.15951 530.66297
6460.0000 -164.80528 -159.57331 5.23197 2.16395 -159.35918 591.25592
6465.0000 -164.93380 -160.49211 4.44170 2.14952 -159.59486 569.07839
6470.0000 -164.86378 -159.84007 5.02370 2.11841 -160.10287 555.48040
6475.0000 -164.37777 -159.94717 4.43060 2.12076 -160.06457 542.93936
6480.0000 -163.66773 -158.27618 5.39155 2.16224 -159.38707 568.92610
6485.0000 -164.01950 -158.58953 5.42997 2.23153 -158.25549 646.76422
6490.0000 -162.49476 -158.13030 4.36446 2.24697 -158.00327 625.41587
6495.0000 -165.02697 -159.31295 5.71402 2.19442 -158.86162 595.46035
6500.0000 -163.54002 -158.27708 5.26294 2.19389 -158.87015 588.21870
FREEZING PROCESS: loop number 27 T-loop= 567.00000000000000
main_MD> interactions number 27 at Temperature= 567.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02180 -1.34476 -0.38193
force_rgl> df(natom) 1.93180 0.93528 1.07466
6505.0000 -163.71557 -158.52184 5.19373 2.17481 -159.18177 591.16341
6510.0000 -164.23623 -159.04694 5.18929 2.18513 -159.01331 620.53814
6515.0000 -164.37582 -159.90272 4.47310 2.14701 -159.63580 570.91010
6520.0000 -164.09794 -159.82175 4.27619 2.15603 -159.48860 567.48028
6525.0000 -164.40567 -159.90009 4.50557 2.12411 -160.00984 546.12478
6530.0000 -164.15074 -159.69674 4.45401 2.11236 -160.20175 543.78359
6535.0000 -164.96872 -161.06272 3.90600 2.09627 -160.46446 511.43377
6540.0000 -164.26306 -160.27728 3.98578 2.07183 -160.86360 483.71403
6545.0000 -164.61421 -159.54949 5.06472 2.13193 -159.88216 547.28939
6550.0000 -165.49177 -159.58806 5.90371 2.16657 -159.31632 597.18300
6555.0000 -163.51019 -158.90618 4.60401 2.17017 -159.25762 588.61222
6560.0000 -164.07521 -159.22366 4.85155 2.17390 -159.19669 616.47076
6565.0000 -164.55476 -158.81451 5.74025 2.18190 -159.06609 604.79121
6570.0000 -164.33774 -159.68345 4.65429 2.14295 -159.70207 570.15009
6575.0000 -164.14943 -159.13939 5.01004 2.14475 -159.67281 586.76714
6580.0000 -164.00273 -158.87515 5.12759 2.18168 -159.06966 583.62827
6585.0000 -164.66102 -159.65667 5.00435 2.17481 -159.18181 594.99726
6590.0000 -163.73312 -158.38497 5.34815 2.20132 -158.74895 608.83385
6595.0000 -163.92664 -159.43520 4.49143 2.17092 -159.24528 571.88109
6600.0000 -165.18646 -160.03750 5.14896 2.14877 -159.60708 571.09474
6605.0000 -164.62356 -160.54741 4.07615 2.11719 -160.12288 554.32197
6610.0000 -165.01466 -160.25122 4.76344 2.13875 -159.77075 552.57913
6615.0000 -164.24153 -158.67888 5.56265 2.15930 -159.43521 591.31037
6620.0000 -164.44221 -158.85598 5.58623 2.18956 -158.94097 620.47100
6625.0000 -164.68995 -160.29843 4.39152 2.13164 -159.88687 559.21602
6630.0000 -164.82405 -159.66824 5.15581 2.17675 -159.15008 589.96713
6635.0000 -164.59407 -159.41270 5.18137 2.14565 -159.65808 539.42634
6640.0000 -163.75952 -159.60441 4.15511 2.14053 -159.74174 537.53870
6645.0000 -164.67907 -159.87421 4.80486 2.17049 -159.25231 574.02566
6650.0000 -165.01010 -160.49434 4.51575 2.12347 -160.02028 556.07409
6655.0000 -165.28161 -161.24554 4.03607 2.05811 -161.08780 506.43167
6660.0000 -164.52786 -159.86109 4.66677 2.09395 -160.50238 537.59865
6665.0000 -163.05975 -158.27623 4.78353 2.16977 -159.26406 557.94353
6670.0000 -163.99365 -159.06574 4.92791 2.16986 -159.26272 579.13734
6675.0000 -164.33569 -158.93814 5.39755 2.18813 -158.96425 587.04014
6680.0000 -163.83670 -158.77972 5.05698 2.19129 -158.91268 570.73345
6685.0000 -164.39056 -158.59370 5.79686 2.19266 -158.89030 578.55960
6690.0000 -164.17293 -159.25547 4.91746 2.18999 -158.93385 597.41411
6695.0000 -163.24146 -158.83432 4.40713 2.19373 -158.87290 597.82961
6700.0000 -163.98324 -159.04786 4.93538 2.19420 -158.86518 631.85154
6705.0000 -162.54382 -157.22179 5.32203 2.21732 -158.48757 653.51003
6710.0000 -164.28314 -158.54710 5.73604 2.24896 -157.97086 643.57265
6715.0000 -164.40022 -160.35302 4.04719 2.16102 -159.40708 569.18014
6720.0000 -165.39116 -160.79324 4.59792 2.10190 -160.37256 530.64881
6725.0000 -165.37354 -161.02932 4.34422 2.07372 -160.83274 527.65087
6730.0000 -164.75218 -160.17057 4.58161 2.11314 -160.18905 551.58332
6735.0000 -164.34166 -159.23344 5.10823 2.09521 -160.48184 515.20181
6740.0000 -164.89516 -159.90054 4.99462 2.20141 -158.74744 615.76867
6745.0000 -164.83942 -159.96141 4.87802 2.13028 -159.90903 567.93472
6750.0000 -164.97753 -160.54240 4.43513 2.10758 -160.27977 542.17246
FREEZING PROCESS: loop number 28 T-loop= 542.00000000000000
main_MD> interactions number 28 at Temperature= 542.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02110 -0.04774 2.49441
force_rgl> df(natom) -0.25764 -1.17431 -0.58379
6755.0000 -164.58275 -160.35854 4.22421 2.09662 -160.45879 533.11154
6760.0000 -164.34662 -159.72935 4.61727 2.11049 -160.23225 553.60081
6765.0000 -164.70082 -160.52758 4.17324 2.14386 -159.68724 566.26322
6770.0000 -165.07843 -159.51178 5.56664 2.14413 -159.68288 568.48936
6775.0000 -164.39259 -160.05279 4.33980 2.13648 -159.80779 551.21552
6780.0000 -164.72545 -159.80494 4.92051 2.13850 -159.77480 566.55685
6785.0000 -165.21199 -160.16867 5.04333 2.15542 -159.49846 589.20440
6790.0000 -165.16306 -160.23671 4.92635 2.08858 -160.59003 535.34321
6795.0000 -165.63445 -160.39281 5.24164 2.08125 -160.70976 507.02411
6800.0000 -165.82620 -160.70556 5.12064 2.08731 -160.61089 531.89714
6805.0000 -165.33661 -160.90365 4.43296 2.05242 -161.18061 502.67824
6810.0000 -165.75984 -160.75131 5.00853 2.06938 -160.90367 533.34665
6815.0000 -163.72936 -159.22543 4.50392 2.13317 -159.86188 570.96034
6820.0000 -164.65958 -159.62442 5.03516 2.14617 -159.64960 552.77363
6825.0000 -165.52811 -161.43982 4.08829 2.10733 -160.28386 532.36134
6830.0000 -164.73791 -159.88829 4.84962 2.08518 -160.64560 526.90007
6835.0000 -165.76633 -161.11590 4.65043 2.10287 -160.35665 519.66615
6840.0000 -164.83110 -161.11979 3.71131 2.07066 -160.88275 506.25644
6845.0000 -164.98823 -160.57208 4.41615 2.07130 -160.87228 511.74413
6850.0000 -164.78318 -160.61293 4.17025 2.08425 -160.66083 502.46865
6855.0000 -165.83348 -160.88006 4.95342 2.07792 -160.76425 534.48678
6860.0000 -164.84654 -160.93419 3.91235 2.05712 -161.10390 530.43640
6865.0000 -166.06040 -161.36943 4.69097 2.06479 -160.97863 541.51928
6870.0000 -165.17822 -160.35888 4.81934 2.06348 -161.00002 537.75099
6875.0000 -164.86457 -160.43623 4.42834 2.09162 -160.54052 533.87651
6880.0000 -166.01131 -161.40378 4.60752 2.07383 -160.83092 519.98665
6885.0000 -165.46648 -160.42432 5.04216 2.05988 -161.05882 502.44218
6890.0000 -165.68893 -161.03238 4.65655 2.07449 -160.82020 525.06156
6895.0000 -165.50792 -160.76838 4.73954 2.08439 -160.65858 533.40086
6900.0000 -165.32907 -160.70843 4.62065 2.08920 -160.57991 543.47705
6905.0000 -165.71976 -160.48673 5.23302 2.06768 -160.93147 545.48583
6910.0000 -165.81829 -160.56672 5.25157 2.11522 -160.15511 571.47926
6915.0000 -165.45144 -161.44827 4.00317 2.06261 -161.01417 538.67408
6920.0000 -164.71525 -159.55411 5.16114 2.04718 -161.26630 506.09537
6925.0000 -165.79014 -161.23295 4.55718 2.10843 -160.26585 556.65528
6930.0000 -165.28303 -161.59994 3.68309 2.02661 -161.60225 468.56247
6935.0000 -164.58360 -159.98868 4.59492 2.08101 -160.71366 489.81076
6940.0000 -164.54928 -160.48905 4.06023 2.12262 -160.03424 546.42488
6945.0000 -165.17919 -160.38360 4.79558 2.12071 -160.06531 544.80381
6950.0000 -165.52524 -161.31089 4.21434 2.07593 -160.79663 513.12664
6955.0000 -165.88987 -160.81050 5.07937 2.05517 -161.13570 513.72261
6960.0000 -165.47431 -161.37053 4.10378 2.05819 -161.08640 528.55264
6965.0000 -165.12165 -160.91344 4.20821 2.03725 -161.42833 508.75339
6970.0000 -164.93890 -159.81855 5.12034 2.06315 -161.00537 529.57333
6975.0000 -164.79288 -159.49255 5.30033 2.14528 -159.66405 586.92536
6980.0000 -164.27049 -159.34607 4.92443 2.16799 -159.29325 610.46675
6985.0000 -165.31250 -160.71710 4.59540 2.10253 -160.36227 578.88277
6990.0000 -165.36084 -160.37223 4.98860 2.09939 -160.41359 560.33833
6995.0000 -163.66066 -159.79910 3.86156 2.10562 -160.31176 542.99693
7000.0000 -165.46387 -160.45073 5.01314 2.10118 -160.38428 539.42212
FREEZING PROCESS: loop number 29 T-loop= 517.00000000000000
main_MD> interactions number 29 at Temperature= 517.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96121 -0.86905 -2.07259
force_rgl> df(natom) -4.08552 1.48013 3.49732
7005.0000 -165.66383 -161.25278 4.41105 2.04522 -161.29821 517.10285
7010.0000 -166.58511 -161.97256 4.61255 2.02356 -161.65198 514.41481
7015.0000 -167.01825 -162.37860 4.63966 1.99373 -162.13908 487.49466
7020.0000 -166.30008 -161.58277 4.71732 1.99602 -162.10175 490.10992
7025.0000 -165.67755 -160.98556 4.69198 2.03645 -161.44140 514.33330
7030.0000 -165.41928 -161.48140 3.93788 2.06540 -160.96864 546.49038
7035.0000 -165.84685 -161.40221 4.44463 2.03761 -161.42256 520.96401
7040.0000 -165.41391 -161.21226 4.20165 2.04586 -161.28777 508.26708
7045.0000 -165.43480 -161.47051 3.96429 2.03051 -161.53847 503.72035
7050.0000 -165.99927 -161.84779 4.15148 2.03756 -161.42339 530.80571
7055.0000 -166.42537 -162.36199 4.06338 1.99242 -162.16054 489.45598
7060.0000 -166.61911 -162.52719 4.09192 1.98497 -162.28225 483.53184
7065.0000 -165.76894 -161.67620 4.09274 2.02498 -161.62886 500.28858
7070.0000 -164.40455 -160.37082 4.03373 2.08206 -160.69658 528.06096
7075.0000 -165.56978 -161.35322 4.21656 2.09466 -160.49087 542.80941
7080.0000 -164.26922 -159.85989 4.40933 2.08620 -160.62890 495.82354
7085.0000 -164.22762 -159.99169 4.23593 2.13141 -159.89054 530.76478
7090.0000 -164.56065 -159.87933 4.68132 2.14345 -159.69395 574.01836
7095.0000 -164.43924 -159.39949 5.03975 2.11785 -160.11203 563.80177
7100.0000 -164.70758 -159.82712 4.88045 2.13434 -159.84274 581.05787
7105.0000 -166.05831 -161.36805 4.69026 2.05700 -161.10582 514.88208
7110.0000 -165.17394 -160.04716 5.12678 2.07808 -160.76151 537.50769
7115.0000 -166.10878 -161.10584 5.00294 2.07473 -160.81625 523.84199
7120.0000 -165.71111 -161.64277 4.06834 2.02536 -161.62264 502.11652
7125.0000 -164.41597 -159.25346 5.16251 2.06961 -160.89999 533.30934
7130.0000 -165.31606 -161.04830 4.26776 2.11603 -160.14180 581.00303
7135.0000 -165.03567 -160.65163 4.38404 2.04739 -161.26273 527.34796
7140.0000 -166.01659 -161.62814 4.38845 2.02844 -161.57226 520.73062
7145.0000 -166.08016 -162.20842 3.87174 1.99761 -162.07580 473.58233
7150.0000 -164.90338 -160.87516 4.02822 2.04124 -161.36322 501.22924
7155.0000 -164.65394 -160.78754 3.86640 2.08809 -160.59810 525.83736
7160.0000 -165.23085 -160.83641 4.39444 2.09041 -160.56018 541.59447
7165.0000 -165.11188 -160.69339 4.41848 2.08919 -160.58022 541.65745
7170.0000 -166.17416 -162.09662 4.07754 2.02368 -161.65000 487.32340
7175.0000 -166.40662 -161.82819 4.57843 1.99748 -162.07784 483.82543
7180.0000 -166.16319 -161.46406 4.69913 2.01660 -161.76572 509.40018
7185.0000 -166.28391 -161.62768 4.65623 2.03042 -161.53992 521.48261
7190.0000 -165.53565 -161.88674 3.64890 1.98317 -162.31156 460.12554
7195.0000 -166.30986 -162.45017 3.85968 1.98946 -162.20896 454.06325
7200.0000 -165.18668 -161.36703 3.81965 2.02225 -161.67341 476.44605
7205.0000 -164.98802 -160.63624 4.35178 2.05899 -161.07327 485.77575
7210.0000 -165.31506 -161.21087 4.10419 2.10183 -160.37366 536.70315
7215.0000 -165.07124 -160.97330 4.09794 2.07450 -160.81997 503.65295
7220.0000 -165.73935 -160.89212 4.84723 2.07011 -160.89174 509.57221
7225.0000 -164.90280 -160.98388 3.91892 2.08498 -160.64884 533.37359
7230.0000 -166.32214 -161.61992 4.70222 2.03700 -161.43256 495.26044
7235.0000 -166.78304 -161.66257 5.12047 2.06425 -160.98738 544.56149
7240.0000 -166.26666 -161.36275 4.90392 2.02375 -161.64896 512.52998
7245.0000 -165.93061 -161.17071 4.75990 2.01646 -161.76792 512.93115
7250.0000 -166.11367 -161.66633 4.44734 2.04170 -161.35577 516.79301
FREEZING PROCESS: loop number 30 T-loop= 492.00000000000000
main_MD> interactions number 30 at Temperature= 492.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91700 -2.72751 -6.11562
force_rgl> df(natom) 2.29629 0.50456 -2.20329
7255.0000 -166.10150 -161.69282 4.40868 2.03290 -161.49943 501.99762
7260.0000 -165.80079 -160.76796 5.03284 2.04784 -161.25538 508.42096
7265.0000 -165.39531 -160.75131 4.64399 2.06405 -160.99065 517.51351
7270.0000 -166.72297 -162.85393 3.86905 1.98206 -162.32976 476.89796
7275.0000 -166.58827 -162.06311 4.52516 1.96712 -162.57371 471.82425
7280.0000 -165.35705 -161.08038 4.27667 2.03941 -161.39305 519.67102
7285.0000 -165.49171 -161.15602 4.33569 2.04251 -161.34247 505.96612
7290.0000 -165.63733 -162.12894 3.50839 2.03610 -161.44715 526.36412
7295.0000 -166.18859 -161.99471 4.19388 1.98922 -162.21274 476.78183
7300.0000 -166.36952 -161.67130 4.69822 2.03469 -161.47020 510.95015
7305.0000 -165.65533 -161.19989 4.45543 2.03541 -161.45848 532.00546
7310.0000 -165.38406 -161.02940 4.35466 2.06325 -161.00374 515.18212
7315.0000 -165.65859 -161.32832 4.33027 2.04391 -161.31956 504.58453
7320.0000 -165.45489 -161.35582 4.09907 2.05118 -161.20098 511.47942
7325.0000 -165.89474 -161.76950 4.12524 2.02104 -161.69316 466.80857
7330.0000 -165.18646 -160.27839 4.90807 2.07471 -160.81656 514.54236
7335.0000 -164.58454 -160.19142 4.39313 2.09661 -160.45898 520.20718
7340.0000 -166.05389 -161.74572 4.30817 2.05177 -161.19124 492.00840
7345.0000 -165.60086 -161.57565 4.02521 2.01353 -161.81575 482.21249
7350.0000 -166.37215 -162.03596 4.33619 2.01815 -161.74031 481.18447
7355.0000 -165.96055 -162.18139 3.77917 2.01564 -161.78133 493.56846
7360.0000 -166.50423 -161.82711 4.67712 1.99360 -162.14123 469.88720
7365.0000 -166.73970 -162.55700 4.18270 1.98484 -162.28429 462.03720
7370.0000 -167.03232 -163.54385 3.48847 1.92374 -163.28228 426.13890
7375.0000 -166.68481 -162.28418 4.40063 1.93875 -163.03699 432.24466
7380.0000 -167.01323 -162.73223 4.28100 1.94889 -162.87151 459.25901
7385.0000 -165.83534 -161.32840 4.50694 2.00747 -161.91471 497.34843
7390.0000 -166.30053 -161.84943 4.45110 2.06176 -161.02805 548.15983
7395.0000 -166.75477 -161.96239 4.79238 1.99594 -162.10312 486.64679
7400.0000 -165.83330 -161.55275 4.28055 2.03192 -161.51542 526.17267
7405.0000 -165.72657 -161.68199 4.04459 2.02369 -161.64985 485.13084
7410.0000 -166.06252 -161.39097 4.67155 2.01305 -161.82361 473.50545
7415.0000 -165.38216 -161.37268 4.00948 2.04722 -161.26564 518.18719
7420.0000 -166.35183 -161.81475 4.53708 2.05405 -161.15398 519.82838
7425.0000 -166.67639 -161.81358 4.86281 2.03491 -161.46670 519.10852
7430.0000 -165.67850 -161.01544 4.66306 2.03420 -161.47815 512.79024
7435.0000 -166.32198 -161.74539 4.57659 2.02319 -161.65806 507.00364
7440.0000 -165.94991 -162.21502 3.73489 2.00457 -161.96210 490.24161
7445.0000 -165.86541 -161.45087 4.41454 1.99539 -162.11198 484.50852
7450.0000 -165.91877 -161.72986 4.18891 2.05591 -161.12360 527.67760
7455.0000 -166.44653 -162.56878 3.87775 2.00448 -161.96353 475.15731
7460.0000 -166.43024 -162.56711 3.86314 1.99458 -162.12528 484.29197
7465.0000 -165.52691 -162.38447 3.14245 1.97323 -162.47402 470.04154
7470.0000 -165.73778 -160.83923 4.89855 2.00695 -161.92325 488.51602
7475.0000 -166.09577 -161.11011 4.98566 2.05094 -161.20478 535.40492
7480.0000 -166.59926 -162.50581 4.09346 2.02071 -161.69846 486.02130
7485.0000 -166.54763 -162.35040 4.19724 1.98191 -162.33225 463.28372
7490.0000 -166.62321 -161.98150 4.64172 1.98766 -162.23827 481.90961
7495.0000 -167.07614 -162.17488 4.90125 2.00838 -161.89985 492.29875
7500.0000 -166.74311 -162.56031 4.18280 1.98859 -162.22317 484.48616
FREEZING PROCESS: loop number 31 T-loop= 467.00000000000000
main_MD> interactions number 31 at Temperature= 467.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41501 1.55636 0.03591
force_rgl> df(natom) 1.55159 1.28698 1.71858
7505.0000 -166.26164 -161.78596 4.47568 1.99178 -162.17098 488.23421
7510.0000 -166.27784 -162.68703 3.59082 1.99499 -162.11853 477.59497
7515.0000 -166.89656 -162.77566 4.12090 1.94915 -162.86725 454.29136
7520.0000 -166.78869 -163.32908 3.45961 1.93072 -163.16816 431.05696
7525.0000 -166.83225 -163.41173 3.42052 1.93551 -163.08996 440.14400
7530.0000 -166.64508 -162.77564 3.86944 1.92348 -163.28649 415.65689
7535.0000 -167.31390 -164.00077 3.31313 1.91319 -163.45445 410.08556
7540.0000 -166.08487 -162.45066 3.63421 1.92761 -163.21894 422.03628
7545.0000 -166.14201 -162.45752 3.68449 1.97712 -162.41045 458.77247
7550.0000 -167.17178 -162.80337 4.36841 1.95339 -162.79790 444.27715
7555.0000 -165.97960 -161.43307 4.54652 2.02384 -161.64745 494.39643
7560.0000 -166.63124 -162.68740 3.94384 2.01676 -161.76300 500.42619
7565.0000 -166.59091 -162.26455 4.32637 1.97836 -162.39016 459.52222
7570.0000 -166.01027 -161.61183 4.39844 2.00422 -161.96786 488.53152
7575.0000 -166.13000 -162.12687 4.00313 2.01143 -161.85004 496.33485
7580.0000 -166.32914 -162.87135 3.45779 1.97122 -162.50673 460.52088
7585.0000 -166.89695 -163.54018 3.35677 1.94620 -162.91543 460.79963
7590.0000 -166.74796 -162.98684 3.76113 1.93881 -163.03602 442.74643
7595.0000 -166.97248 -163.33620 3.63628 1.94012 -163.01463 443.68418
7600.0000 -166.53593 -162.97828 3.55766 1.95526 -162.76741 446.67858
7605.0000 -166.34302 -162.21314 4.12987 1.95788 -162.72472 444.50877
7610.0000 -166.37146 -162.75691 3.61454 1.96457 -162.61542 463.43926
7615.0000 -166.70689 -162.69268 4.01421 1.96762 -162.56555 473.84045
7620.0000 -167.47694 -163.07423 4.40272 1.94498 -162.93538 467.75250
7625.0000 -167.54772 -163.27480 4.27292 1.91388 -163.44332 444.13954
7630.0000 -166.80587 -163.04719 3.75868 1.91611 -163.40685 444.27963
7635.0000 -167.88715 -164.07439 3.81276 1.90514 -163.58592 435.17190
7640.0000 -166.65526 -162.91813 3.73713 1.89963 -163.67598 426.41242
7645.0000 -165.67121 -161.95652 3.71469 1.98305 -162.31364 479.20704
7650.0000 -165.83225 -161.07584 4.75641 2.01955 -161.71750 499.06739
7655.0000 -165.91920 -161.70372 4.21548 2.04290 -161.33611 540.35375
7660.0000 -166.10539 -161.52325 4.58214 2.02681 -161.59884 515.43659
7665.0000 -165.95118 -161.76655 4.18462 2.01007 -161.87224 500.47813
7670.0000 -165.03652 -161.38104 3.65548 2.02597 -161.61256 497.01683
7675.0000 -166.34359 -161.65232 4.69127 2.02370 -161.64966 502.82657
7680.0000 -165.66374 -161.47798 4.18577 2.01906 -161.72550 504.06053
7685.0000 -166.12684 -161.84378 4.28307 2.02554 -161.61962 493.36738
7690.0000 -166.34713 -162.51507 3.83206 1.99355 -162.14211 457.44925
7695.0000 -165.67641 -161.84994 3.82648 2.00351 -161.97945 466.21393
7700.0000 -166.01370 -162.35285 3.66085 1.98964 -162.20598 451.18966
7705.0000 -166.62859 -162.50589 4.12270 1.98827 -162.22833 462.03586
7710.0000 -166.35230 -162.64016 3.71214 1.96342 -162.63422 443.95264
7715.0000 -167.27157 -163.20163 4.06994 1.91275 -163.46163 426.19073
7720.0000 -166.00231 -162.35026 3.65205 1.95040 -162.84674 454.05836
7725.0000 -165.73322 -161.77196 3.96126 1.99183 -162.17011 472.55556
7730.0000 -165.71214 -161.93725 3.77489 1.99458 -162.12532 465.20979
7735.0000 -166.43069 -161.73589 4.69480 2.00258 -161.99457 472.25670
7740.0000 -164.58190 -160.56125 4.02065 2.03876 -161.40377 502.94627
7745.0000 -164.79793 -160.54326 4.25467 2.08276 -160.68514 502.95063
7750.0000 -165.44346 -161.04564 4.39782 2.08618 -160.62926 524.11283
FREEZING PROCESS: loop number 32 T-loop= 442.00000000000000
main_MD> interactions number 32 at Temperature= 442.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03670 -1.61401 -1.34178
force_rgl> df(natom) -1.68285 -1.52868 1.04321
7755.0000 -165.35413 -162.13284 3.22129 2.03494 -161.46618 467.00632
7760.0000 -165.93099 -161.95372 3.97727 2.01032 -161.86818 446.46299
7765.0000 -165.94759 -162.15113 3.79646 1.98390 -162.29969 464.45928
7770.0000 -165.61691 -162.00188 3.61503 1.99330 -162.14622 481.87591
7775.0000 -166.04513 -162.00381 4.04133 2.02012 -161.70816 505.21820
7780.0000 -167.55858 -163.58228 3.97630 1.94680 -162.90554 459.04657
7785.0000 -167.23787 -164.02988 3.20799 1.90217 -163.63452 417.78347
7790.0000 -167.19261 -163.84861 3.34400 1.88162 -163.97013 402.18319
7795.0000 -166.68324 -163.00919 3.67404 1.90918 -163.52003 415.90969
7800.0000 -166.19585 -162.16826 4.02760 1.96886 -162.54525 470.78516
7805.0000 -167.23576 -163.67049 3.56527 1.94641 -162.91195 453.90766
7810.0000 -167.43189 -163.77514 3.65675 1.91440 -163.43472 434.81217
7815.0000 -167.79418 -163.85055 3.94363 1.88568 -163.90379 411.04181
7820.0000 -166.86508 -162.98301 3.88207 1.92797 -163.21308 447.68554
7825.0000 -167.39864 -163.65586 3.74278 1.94845 -162.87865 467.70635
7830.0000 -166.78237 -163.01533 3.76704 1.94067 -163.00567 459.85978
7835.0000 -167.04019 -163.23548 3.80471 1.92720 -163.22568 446.47880
7840.0000 -166.68429 -162.77625 3.90805 1.91338 -163.45132 429.89843
7845.0000 -166.54265 -163.51487 3.02778 1.92590 -163.24699 442.29952
7850.0000 -167.08794 -163.91712 3.17082 1.90426 -163.60039 400.79775
7855.0000 -167.15136 -163.39009 3.76127 1.92847 -163.20495 426.41827
7860.0000 -167.18554 -163.83049 3.35505 1.90984 -163.50924 409.16439
7865.0000 -166.74258 -162.76472 3.97786 1.92642 -163.23844 428.64251
7870.0000 -167.36843 -163.24609 4.12235 1.93052 -163.17147 435.85844
7875.0000 -166.68559 -162.27287 4.41272 1.95788 -162.72469 467.24798
7880.0000 -166.70151 -163.06457 3.63694 1.95135 -162.83130 466.86304
7885.0000 -166.75611 -163.57083 3.18528 1.91724 -163.38838 432.92267
7890.0000 -166.95017 -162.95464 3.99553 1.91822 -163.37238 426.80910
7895.0000 -167.24661 -163.85385 3.39276 1.92206 -163.30968 435.64436
7900.0000 -166.03282 -162.47842 3.55440 1.89597 -163.73571 404.58704
7905.0000 -166.85118 -162.66331 4.18786 1.95307 -162.80328 463.59048
7910.0000 -167.07641 -162.93488 4.14153 1.95229 -162.81586 450.52525
7915.0000 -167.39162 -163.87455 3.51707 1.92965 -163.18571 440.62790
7920.0000 -167.27349 -163.59750 3.67600 1.92817 -163.20985 441.57992
7925.0000 -166.63270 -162.82435 3.80835 1.94667 -162.90768 438.86420
7930.0000 -165.63565 -161.94500 3.69065 1.96897 -162.54358 451.72907
7935.0000 -167.27217 -163.33732 3.93484 1.94206 -162.98309 446.28285
7940.0000 -166.78724 -163.46218 3.32505 1.91325 -163.45345 427.58626
7945.0000 -167.16556 -163.68548 3.48008 1.88520 -163.91168 408.44329
7950.0000 -166.84192 -162.93769 3.90423 1.93090 -163.16522 445.99518
7955.0000 -167.42165 -164.22113 3.20052 1.90388 -163.60660 401.94502
7960.0000 -166.76940 -162.71271 4.05669 1.91225 -163.46986 427.95519
7965.0000 -167.21698 -162.83148 4.38551 1.96586 -162.59433 473.77235
7970.0000 -166.52610 -163.30302 3.22308 1.93966 -163.02215 436.08152
7975.0000 -166.48383 -163.04945 3.43438 1.93371 -163.11939 429.86171
7980.0000 -166.39875 -162.39641 4.00234 1.97594 -162.42968 451.02263
7985.0000 -165.59446 -162.44762 3.14685 1.97132 -162.50508 433.07099
7990.0000 -166.01943 -162.84527 3.17415 1.95942 -162.69948 419.73591
7995.0000 -166.33315 -162.75380 3.57936 1.93709 -163.06413 420.22640
8000.0000 -165.27049 -161.25243 4.01806 2.00982 -161.87630 491.78244
FREEZING PROCESS: loop number 33 T-loop= 417.00000000000000
main_MD> interactions number 33 at Temperature= 417.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47854 -1.61828 0.42774
force_rgl> df(natom) -1.38334 -0.65558 0.14455
8005.0000 -166.25650 -161.65318 4.60332 2.03750 -161.42439 472.90577
8010.0000 -166.33316 -161.91055 4.42262 2.00495 -161.95586 463.25743
8015.0000 -166.47085 -163.04288 3.42797 1.98267 -162.31983 452.38793
8020.0000 -166.27116 -162.62911 3.64205 1.93833 -163.04386 405.53228
8025.0000 -166.74597 -162.69019 4.05578 1.94826 -162.88184 417.92569
8030.0000 -166.83090 -163.03021 3.80069 1.94673 -162.90671 423.23609
8035.0000 -166.83950 -163.22732 3.61218 1.93976 -163.02064 407.15068
8040.0000 -166.62856 -162.97543 3.65313 1.95144 -162.82982 419.43278
8045.0000 -166.33303 -162.47055 3.86248 1.93833 -163.04401 400.85902
8050.0000 -166.68327 -163.14792 3.53535 1.93076 -163.16757 392.55200
8055.0000 -165.94150 -162.18891 3.75259 1.94857 -162.87670 401.95601
8060.0000 -165.93511 -162.13180 3.80331 1.98693 -162.25022 441.10011
8065.0000 -167.18966 -162.96092 4.22873 1.93859 -163.03968 415.97650
8070.0000 -166.77567 -163.52132 3.25436 1.93419 -163.11157 429.60056
8075.0000 -166.92324 -163.30384 3.61939 1.91053 -163.49792 404.69237
8080.0000 -166.96000 -163.25101 3.70899 1.92613 -163.24310 420.43126
8085.0000 -166.74230 -163.56517 3.17713 1.91937 -163.35358 421.98281
8090.0000 -167.12508 -162.92410 4.20098 1.91631 -163.40351 427.93875
8095.0000 -167.33026 -163.46591 3.86434 1.90265 -163.62665 416.23679
8100.0000 -167.08471 -163.84436 3.24035 1.91323 -163.45383 429.88700
8105.0000 -166.74736 -163.60306 3.14429 1.89767 -163.70799 409.77233
8110.0000 -167.70010 -164.51429 3.18581 1.89237 -163.79446 402.50770
8115.0000 -167.28497 -163.65454 3.63043 1.88360 -163.93776 401.05856
8120.0000 -166.67752 -162.48653 4.19100 1.93211 -163.14553 440.65356
8125.0000 -167.81360 -163.66050 4.15311 1.94393 -162.95239 460.76429
8130.0000 -166.43950 -162.53437 3.90513 1.95550 -162.76344 447.86753
8135.0000 -166.36595 -162.17425 4.19170 1.97562 -162.43491 470.77773
8140.0000 -166.91429 -162.93767 3.97661 1.94543 -162.92801 432.93343
8145.0000 -166.95403 -163.50548 3.44855 1.93952 -163.02456 425.00525
8150.0000 -166.50676 -162.93299 3.57377 1.92621 -163.24191 427.06561
8155.0000 -166.44838 -163.42151 3.02686 1.93886 -163.03527 426.74582
8160.0000 -167.18029 -164.00574 3.17455 1.90516 -163.58565 421.05235
8165.0000 -166.56251 -163.05030 3.51221 1.90606 -163.57092 419.59480
8170.0000 -167.84498 -164.82746 3.01752 1.87435 -164.08887 386.03985
8175.0000 -167.42181 -164.12333 3.29848 1.86231 -164.28552 390.34069
8180.0000 -166.80606 -163.90304 2.90302 1.88693 -163.88330 417.15467
8185.0000 -166.94504 -163.41846 3.52658 1.89438 -163.76176 424.52911
8190.0000 -166.98312 -163.75366 3.22946 1.90813 -163.53711 413.81404
8195.0000 -167.80816 -164.12961 3.67855 1.86579 -164.22865 381.23983
8200.0000 -167.22614 -163.92587 3.30027 1.88535 -163.90916 403.25097
8205.0000 -167.11126 -163.52791 3.58335 1.89348 -163.77638 399.47006
8210.0000 -165.74883 -162.29307 3.45575 1.94450 -162.94324 440.79256
8215.0000 -166.68054 -162.38676 4.29378 1.98844 -162.22558 461.20370
8220.0000 -166.16439 -162.87120 3.29320 1.96018 -162.68706 432.26344
8225.0000 -166.29329 -162.33697 3.95632 1.94070 -163.00530 403.62281
8230.0000 -166.81876 -163.05078 3.76797 1.95272 -162.80888 434.02362
8235.0000 -167.64394 -163.14728 4.49666 1.93565 -163.08772 440.89149
8240.0000 -167.34711 -163.96759 3.37952 1.90986 -163.50894 433.09626
8245.0000 -167.07643 -163.60335 3.47308 1.87466 -164.08372 393.07261
8250.0000 -167.59782 -163.98783 3.60999 1.87363 -164.10051 404.48217
FREEZING PROCESS: loop number 34 T-loop= 392.00000000000000
main_MD> interactions number 34 at Temperature= 392.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.83882 0.37199 -0.20531
force_rgl> df(natom) -1.80414 0.73510 0.45802
8255.0000 -167.34648 -163.92974 3.41674 1.88897 -163.84999 421.11092
8260.0000 -167.83379 -164.64738 3.18640 1.85765 -164.36161 392.14357
8265.0000 -167.80089 -164.02529 3.77560 1.86866 -164.18171 402.03823
8270.0000 -166.91691 -163.53753 3.37938 1.88232 -163.95869 413.19280
8275.0000 -167.41582 -164.05352 3.36230 1.90814 -163.53697 413.63970
8280.0000 -167.66473 -164.32430 3.34043 1.88153 -163.97154 382.41030
8285.0000 -167.78570 -164.50735 3.27835 1.85133 -164.46482 356.46466
8290.0000 -167.59287 -164.54112 3.05175 1.83466 -164.73708 357.88874
8295.0000 -167.23143 -163.93258 3.29886 1.85574 -164.39268 386.15899
8300.0000 -167.72709 -164.18150 3.54559 1.88574 -163.90287 411.89287
8305.0000 -167.82247 -164.23565 3.58683 1.87847 -164.02150 420.37613
8310.0000 -167.02178 -163.83338 3.18839 1.86219 -164.28734 397.54932
8315.0000 -167.65132 -164.10577 3.54554 1.88101 -163.98006 414.24992
8320.0000 -167.51153 -164.04795 3.46359 1.86843 -164.18546 397.54215
8325.0000 -167.36263 -164.59692 2.76570 1.88871 -163.85425 410.27459
8330.0000 -167.49619 -162.87771 4.61847 1.90484 -163.59086 429.63815
8335.0000 -167.51055 -164.25424 3.25631 1.90148 -163.64577 440.54306
8340.0000 -167.74709 -164.47728 3.26981 1.85238 -164.44757 392.75440
8345.0000 -168.26167 -165.31774 2.94393 1.81737 -165.01939 356.97393
8350.0000 -167.00491 -163.68287 3.32204 1.86718 -164.20585 389.89130
8355.0000 -167.85645 -163.98638 3.87007 1.90719 -163.55251 421.12110
8360.0000 -167.60338 -164.20725 3.39613 1.87316 -164.10832 398.22235
8365.0000 -166.79555 -163.57632 3.21923 1.87592 -164.06326 413.41905
8370.0000 -167.19892 -163.89139 3.30754 1.87814 -164.02698 411.01230
8375.0000 -167.70995 -164.28419 3.42576 1.87445 -164.08714 407.60865
8380.0000 -167.66665 -164.43335 3.23330 1.86205 -164.28965 398.30839
8385.0000 -168.10953 -165.25454 2.85499 1.83691 -164.70020 378.89179
8390.0000 -167.98557 -164.59259 3.39299 1.83050 -164.80504 368.01629
8395.0000 -168.05458 -164.77680 3.27778 1.84177 -164.62086 384.55296
8400.0000 -167.98902 -164.40640 3.58262 1.85568 -164.39372 399.53852
8405.0000 -168.14784 -164.83096 3.31688 1.85683 -164.37493 394.72178
8410.0000 -167.87099 -165.21625 2.65475 1.80796 -165.17309 342.28104
8415.0000 -167.69544 -164.46671 3.22874 1.84417 -164.58175 376.75740
8420.0000 -168.12478 -164.47915 3.64563 1.85849 -164.34779 401.98701
8425.0000 -167.61315 -164.12721 3.48594 1.85632 -164.38325 398.34265
8430.0000 -167.96160 -164.91288 3.04872 1.84374 -164.58870 385.10442
8435.0000 -167.95120 -164.22191 3.72929 1.84525 -164.56407 388.03450
8440.0000 -168.00794 -164.96548 3.04246 1.86735 -164.20316 408.51731
8445.0000 -167.74806 -164.51506 3.23300 1.85673 -164.37662 392.54610
8450.0000 -167.42978 -164.38307 3.04671 1.86721 -164.20543 405.85295
8455.0000 -169.12342 -165.72548 3.39793 1.81448 -165.06653 352.97585
8460.0000 -167.20326 -163.72988 3.47338 1.82945 -164.82220 374.18977
8465.0000 -167.62353 -164.05838 3.56515 1.88631 -163.89344 420.63176
8470.0000 -168.03279 -164.68059 3.35220 1.88350 -163.93934 412.42591
8475.0000 -167.03837 -163.55124 3.48713 1.86745 -164.20148 400.18773
8480.0000 -167.11405 -163.69956 3.41449 1.90530 -163.58342 418.08862
8485.0000 -166.94515 -163.10064 3.84452 1.90577 -163.57572 401.13073
8490.0000 -166.80453 -163.62378 3.18075 1.94110 -162.99862 419.03069
8495.0000 -167.49385 -164.18109 3.31276 1.88190 -163.96546 378.18298
8500.0000 -167.42019 -163.73617 3.68401 1.88353 -163.93888 385.31544
FREEZING PROCESS: loop number 35 T-loop= 367.00000000000000
main_MD> interactions number 35 at Temperature= 367.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28243 -1.88432 0.81552
force_rgl> df(natom) -1.23033 2.19832 -3.46056
8505.0000 -167.70450 -164.40754 3.29696 1.86667 -164.21424 385.07729
8510.0000 -167.84312 -164.51056 3.33256 1.83999 -164.64998 361.41088
8515.0000 -167.38211 -164.14096 3.24114 1.86065 -164.31250 392.03024
8520.0000 -167.67783 -164.57518 3.10266 1.87004 -164.15914 396.59881
8525.0000 -168.02275 -164.81310 3.20964 1.82905 -164.82866 358.11549
8530.0000 -168.14903 -164.81092 3.33811 1.83015 -164.81061 356.33310
8535.0000 -167.75682 -164.76170 2.99511 1.81716 -165.02285 351.01226
8540.0000 -168.49641 -165.06767 3.42874 1.83525 -164.72742 366.56624
8545.0000 -167.18352 -163.71453 3.46899 1.86915 -164.17375 392.74873
8550.0000 -167.98551 -164.62686 3.35865 1.86318 -164.27128 392.43155
8555.0000 -168.72683 -165.23684 3.48999 1.81661 -165.03181 350.84216
8560.0000 -167.52546 -164.77445 2.75102 1.81568 -165.04702 347.29747
8565.0000 -167.53013 -164.38600 3.14413 1.84610 -164.55013 366.12270
8570.0000 -166.94228 -163.63703 3.30525 1.86995 -164.16069 385.13155
8575.0000 -168.21849 -165.09719 3.12130 1.85490 -164.40655 372.97804
8580.0000 -168.25727 -164.89475 3.36252 1.83249 -164.77242 351.10555
8585.0000 -167.44693 -164.60879 2.83814 1.83341 -164.75741 351.69914
8590.0000 -167.62141 -164.00812 3.61329 1.88284 -163.95010 394.66572
8595.0000 -167.76484 -164.75668 3.00815 1.83090 -164.79842 353.73749
8600.0000 -167.78948 -164.45270 3.33677 1.87211 -164.12540 388.79210
8605.0000 -167.58862 -163.88165 3.70697 1.85886 -164.34181 371.27767
8610.0000 -167.62250 -164.39639 3.22611 1.85961 -164.32955 382.29860
8615.0000 -167.55794 -164.42150 3.13644 1.86249 -164.28254 376.67886
8620.0000 -167.02404 -164.08656 2.93748 1.86882 -164.17913 380.73942
8625.0000 -168.00949 -164.39552 3.61397 1.88164 -163.96985 397.94996
8630.0000 -167.55044 -164.22230 3.32814 1.84846 -164.51172 366.78397
8635.0000 -167.24078 -163.72502 3.51576 1.85951 -164.33111 370.63953
8640.0000 -166.85069 -163.78681 3.06388 1.88600 -163.89860 399.35729
8645.0000 -167.40248 -164.24324 3.15924 1.87517 -164.07539 394.53122
8650.0000 -167.58367 -164.47398 3.10969 1.84935 -164.49718 373.96888
8655.0000 -167.01790 -163.52332 3.49458 1.86135 -164.30121 383.51206
8660.0000 -168.29863 -165.02941 3.26922 1.87063 -164.14951 384.06674
8665.0000 -167.79074 -164.64153 3.14921 1.83854 -164.67371 366.04227
8670.0000 -168.12374 -165.04847 3.07528 1.83129 -164.79207 357.31890
8675.0000 -167.96340 -164.97851 2.98488 1.81474 -165.06237 349.29233
8680.0000 -168.65023 -165.50502 3.14521 1.80211 -165.26867 333.29562
8685.0000 -168.54377 -165.91659 2.62718 1.78491 -165.54959 319.08907
8690.0000 -167.37440 -164.26870 3.10570 1.82940 -164.82286 361.54820
8695.0000 -168.31000 -165.10929 3.20071 1.82502 -164.89448 356.41231
8700.0000 -168.03665 -165.31399 2.72266 1.81452 -165.06601 347.58826
8705.0000 -168.19765 -165.51590 2.68176 1.80894 -165.15713 336.82629
8710.0000 -167.65079 -164.73650 2.91429 1.81523 -165.05438 343.24127
8715.0000 -168.38815 -165.53228 2.85587 1.83805 -164.68170 365.26997
8720.0000 -168.42908 -165.53076 2.89831 1.77864 -165.65193 314.65203
8725.0000 -167.82006 -164.54536 3.27470 1.80104 -165.28616 337.13075
8730.0000 -167.79731 -164.84426 2.95305 1.84127 -164.62900 373.52287
8735.0000 -168.06201 -164.99409 3.06792 1.81561 -165.04814 346.07678
8740.0000 -167.88463 -164.83706 3.04757 1.82152 -164.95163 357.31315
8745.0000 -167.70379 -164.87560 2.82819 1.84088 -164.63547 371.16709
8750.0000 -168.06172 -165.40091 2.66081 1.81047 -165.13207 347.14348
FREEZING PROCESS: loop number 36 T-loop= 342.00000000000000
main_MD> interactions number 36 at Temperature= 342.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.88087 0.99498 -1.52184
force_rgl> df(natom) 0.47460 2.25752 1.33667
8755.0000 -167.51261 -164.54606 2.96655 1.83349 -164.75607 362.60488
8760.0000 -168.34459 -165.67739 2.66719 1.82480 -164.89801 354.96923
8765.0000 -168.07992 -165.17105 2.90887 1.80584 -165.20771 337.76797
8770.0000 -168.07034 -165.35838 2.71195 1.80454 -165.22900 333.23415
8775.0000 -168.20317 -165.16362 3.03955 1.80815 -165.16998 337.68749
8780.0000 -168.13164 -165.31003 2.82161 1.80028 -165.29853 328.28126
8785.0000 -167.66406 -164.94119 2.72287 1.80412 -165.23575 331.04758
8790.0000 -168.47642 -165.52343 2.95299 1.81412 -165.07244 341.14181
8795.0000 -168.00737 -164.94845 3.05892 1.79702 -165.35169 328.20785
8800.0000 -168.02361 -165.66314 2.36048 1.81311 -165.08894 339.63626
8805.0000 -167.63672 -165.00516 2.63156 1.80503 -165.22088 334.71666
8810.0000 -168.25868 -165.78194 2.47673 1.82304 -164.92681 347.45161
8815.0000 -168.52095 -165.86138 2.65958 1.77842 -165.65552 302.75523
8820.0000 -167.94915 -165.50362 2.44553 1.78422 -165.56077 312.83736
8825.0000 -168.04594 -165.45406 2.59187 1.78504 -165.54733 320.44773
8830.0000 -167.94244 -164.97489 2.96755 1.79739 -165.34563 330.64511
8835.0000 -167.89807 -165.13707 2.76100 1.82171 -164.94858 354.23897
8840.0000 -167.57488 -164.90521 2.66967 1.81539 -165.05168 346.61094
8845.0000 -167.68397 -165.22505 2.45892 1.82520 -164.89160 349.60366
8850.0000 -167.79034 -164.54418 3.24616 1.81613 -165.03967 344.02246
8855.0000 -167.20746 -164.30351 2.90394 1.84120 -164.63023 367.32936
8860.0000 -167.60338 -164.67646 2.92692 1.86389 -164.25960 381.56894
8865.0000 -168.19938 -165.09928 3.10010 1.81727 -165.02106 344.82679
8870.0000 -168.03893 -165.25304 2.78589 1.81484 -165.06068 339.90473
8875.0000 -167.76412 -164.91877 2.84535 1.82592 -164.87975 350.09765
8880.0000 -167.87020 -164.84549 3.02471 1.81756 -165.01625 341.77132
8885.0000 -167.72591 -164.57426 3.15166 1.81704 -165.02480 347.84267
8890.0000 -167.39725 -164.62876 2.76849 1.81566 -165.04726 339.18733
8895.0000 -168.73513 -165.72112 3.01401 1.80886 -165.15837 337.02526
8900.0000 -168.10459 -165.21221 2.89238 1.80537 -165.21539 333.84709
8905.0000 -168.07356 -165.10399 2.96957 1.81143 -165.11637 345.58235
8910.0000 -168.22441 -165.28219 2.94222 1.80079 -165.29021 333.52830
8915.0000 -168.23690 -164.96239 3.27450 1.81458 -165.06498 340.73025
8920.0000 -168.30688 -165.28479 3.02209 1.81691 -165.02689 347.48787
8925.0000 -168.53297 -165.31864 3.21433 1.81097 -165.12394 344.74158
8930.0000 -168.57033 -165.78077 2.78956 1.76325 -165.90329 308.11313
8935.0000 -168.48377 -165.99739 2.48638 1.76779 -165.82906 316.98795
8940.0000 -168.05998 -165.49733 2.56265 1.78295 -165.58155 330.86638
8945.0000 -168.67599 -165.99224 2.68374 1.77137 -165.77061 315.60638
8950.0000 -167.50381 -165.01040 2.49341 1.78891 -165.48422 333.27923
8955.0000 -168.40429 -165.00432 3.39997 1.81701 -165.02527 362.92872
8960.0000 -168.37941 -165.61894 2.76047 1.80986 -165.14200 354.39047
8965.0000 -168.20348 -165.61390 2.58958 1.79182 -165.43662 335.24921
8970.0000 -168.50985 -165.69580 2.81405 1.76507 -165.87358 312.57417
8975.0000 -168.30941 -165.26003 3.04938 1.77855 -165.65347 323.15271
8980.0000 -167.51747 -164.53077 2.98670 1.81598 -165.04216 358.33652
8985.0000 -167.99997 -164.99482 3.00515 1.82609 -164.87695 369.21724
8990.0000 -168.47375 -165.28302 3.19073 1.82117 -164.95726 362.49196
8995.0000 -167.94622 -165.35626 2.58995 1.78146 -165.60592 324.93672
9000.0000 -167.89491 -165.00036 2.89455 1.80031 -165.29795 345.13753
FREEZING PROCESS: loop number 37 T-loop= 317.00000000000000
main_MD> interactions number 37 at Temperature= 317.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.59878 -2.12431 1.90341
force_rgl> df(natom) -1.59167 1.40748 0.57047
9005.0000 -168.11856 -165.34102 2.77754 1.81513 -165.05595 350.80451
9010.0000 -168.17641 -165.24173 2.93468 1.79964 -165.30895 345.04364
9015.0000 -168.36449 -165.71976 2.64473 1.79100 -165.45011 338.77639
9020.0000 -168.35031 -165.50808 2.84224 1.77906 -165.64510 327.77436
9025.0000 -168.10814 -165.37862 2.72952 1.78536 -165.54212 330.65595
9030.0000 -168.09142 -165.09620 2.99523 1.78319 -165.57756 324.58863
9035.0000 -168.27739 -165.01676 3.26063 1.80150 -165.27866 342.60445
9040.0000 -168.56876 -165.50580 3.06295 1.81088 -165.12535 344.11722
9045.0000 -168.04329 -165.70540 2.33789 1.77478 -165.71499 322.83645
9050.0000 -168.72776 -165.71149 3.01627 1.76507 -165.87357 310.58148
9055.0000 -167.88697 -165.04013 2.84685 1.80241 -165.26368 346.65109
9060.0000 -168.29721 -165.92960 2.36761 1.78471 -165.55275 331.63868
9065.0000 -168.49656 -165.73766 2.75890 1.77198 -165.76072 316.09356
9070.0000 -168.99498 -166.04540 2.94958 1.77878 -165.64969 329.70178
9075.0000 -168.81072 -166.58005 2.23068 1.72950 -166.45442 280.66397
9080.0000 -168.27451 -165.87560 2.39891 1.74639 -166.17864 292.92004
9085.0000 -168.49281 -165.59249 2.90032 1.77754 -165.66988 317.73248
9090.0000 -168.71831 -166.05361 2.66470 1.75774 -165.99333 304.68301
9095.0000 -168.23697 -165.53563 2.70134 1.76442 -165.88410 309.26524
9100.0000 -168.38611 -165.82983 2.55628 1.76455 -165.88211 311.09607
9105.0000 -168.54671 -166.24116 2.30555 1.74101 -166.26641 289.09361
9110.0000 -168.15831 -165.53960 2.61871 1.76415 -165.88862 308.19424
9115.0000 -168.57531 -165.77019 2.80512 1.77841 -165.65562 323.66694
9120.0000 -168.25966 -165.42140 2.83826 1.77771 -165.66719 325.21190
9125.0000 -168.56246 -166.19263 2.36983 1.77557 -165.70203 321.52693
9130.0000 -168.57875 -166.05832 2.52043 1.75468 -166.04316 303.32843
9135.0000 -168.54988 -165.77854 2.77134 1.76438 -165.88481 310.65054
9140.0000 -168.98275 -165.84634 3.13641 1.75322 -166.06709 305.11087
9145.0000 -168.75805 -166.04752 2.71052 1.76102 -165.93970 307.90138
9150.0000 -168.25147 -165.82916 2.42231 1.76168 -165.92886 309.18579
9155.0000 -168.36173 -165.71277 2.64896 1.77905 -165.64518 326.64036
9160.0000 -168.10089 -164.90545 3.19544 1.77777 -165.66608 315.69125
9165.0000 -168.46484 -165.91296 2.55188 1.78043 -165.62270 314.49708
9170.0000 -168.81254 -165.91274 2.89980 1.76342 -165.90045 311.89685
9175.0000 -168.18473 -165.48393 2.70080 1.77593 -165.69627 319.48770
9180.0000 -168.23747 -165.11008 3.12739 1.80028 -165.29850 344.37361
9185.0000 -167.86390 -165.43762 2.42628 1.81438 -165.06826 353.67641
9190.0000 -168.87110 -166.38523 2.48587 1.75209 -166.08552 298.68657
9195.0000 -168.40979 -165.56806 2.84173 1.76980 -165.79637 319.20341
9200.0000 -168.41497 -165.78395 2.63102 1.77384 -165.73035 321.92861
9205.0000 -168.49303 -165.48365 3.00937 1.76917 -165.80655 317.14029
9210.0000 -168.67277 -165.40623 3.26654 1.79020 -165.46316 328.88010
9215.0000 -168.21215 -165.12015 3.09201 1.79633 -165.36310 340.21985
9220.0000 -168.12867 -165.63246 2.49621 1.79257 -165.42447 334.58355
9225.0000 -168.26802 -164.57128 3.69674 1.80719 -165.18571 347.01584
9230.0000 -168.39386 -165.67349 2.72037 1.82212 -164.94181 359.74129
9235.0000 -168.32419 -165.74369 2.58050 1.77322 -165.74040 324.22331
9240.0000 -168.08299 -165.93140 2.15160 1.77630 -165.69010 324.27967
9245.0000 -168.60088 -165.63244 2.96844 1.76121 -165.93657 306.40389
9250.0000 -168.40979 -166.01290 2.39688 1.77012 -165.79112 316.42124
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 37.9181136 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink