tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_68/freeze.log

1869 lines
184 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_68.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 = 68 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 68 6800
main_MD> Size of nv and nvoiz: 68 6800
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 = 68
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.15363953055293386 6.1286552531066130E-002 -7.5756449815484253E-002 initial drift of cluster / NP1 for coalescence
init> 0.32047398514554848 0.32725708741413628 0.26999420585325457 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6314128458628044E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36240 -0.36917 0.88263
force_rgl> df(natom) 0.02697 -0.80677 -1.51691
preparo> THERMALIZATION PROCESS AT 1146.3048558397338
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -151.35605271784692 9.9028334989167384 -161.25888621676367 6.2715561227772766E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1119.0000000000000
main_MD> interactions number 1 at Temperature= 1119.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.31630 0.48184 0.41243
force_rgl> df(natom) 0.24343 -2.21875 3.45951
5.0000 -160.36200 -149.19662 11.16538 3.05161 -149.76042 1196.36086
10.0000 -160.51764 -151.18643 9.33122 3.07022 -149.45047 1166.41564
15.0000 -162.32065 -152.00894 10.31172 2.88979 -152.45631 1068.90314
20.0000 -162.91075 -153.23255 9.67821 2.86147 -152.92810 1056.79939
25.0000 -159.45886 -148.27078 11.18808 2.95482 -151.37302 1105.12995
30.0000 -160.34914 -149.29145 11.05769 3.12642 -148.51414 1240.31872
35.0000 -160.37714 -150.03395 10.34319 2.95917 -151.30042 1091.05079
40.0000 -158.98426 -150.70066 8.28360 2.98683 -150.83974 1120.71622
45.0000 -161.11166 -148.18098 12.93068 3.08921 -149.13406 1189.57236
50.0000 -159.08199 -149.11964 9.96235 3.04732 -149.83194 1157.80210
55.0000 -161.18414 -151.76795 9.41619 2.98305 -150.90263 1080.00955
60.0000 -159.46915 -150.76290 8.70625 2.93946 -151.62889 1066.59375
65.0000 -159.23312 -148.87227 10.36086 2.99800 -150.65366 1141.37246
70.0000 -159.18828 -148.22755 10.96073 3.14835 -148.14881 1200.23991
75.0000 -159.94106 -148.79420 11.14686 3.14357 -148.22833 1208.79756
80.0000 -159.59009 -149.38724 10.20285 3.01949 -150.29559 1150.61470
85.0000 -157.76653 -148.89268 8.87385 3.10568 -148.85959 1239.48363
90.0000 -158.68912 -148.24870 10.44042 3.07432 -149.38214 1163.56129
95.0000 -158.47299 -147.54366 10.92934 3.17014 -147.78572 1229.59431
100.0000 -157.98992 -147.70165 10.28828 3.11499 -148.70451 1209.93822
105.0000 -160.13337 -151.63336 8.50001 3.04374 -149.89155 1141.58102
110.0000 -162.60718 -154.03582 8.57136 2.87982 -152.62239 1046.40159
115.0000 -161.89690 -152.10606 9.79084 2.82976 -153.45641 992.36292
120.0000 -160.25335 -152.43238 7.82097 2.90439 -152.21309 1052.27317
125.0000 -159.55376 -150.28217 9.27160 2.99471 -150.70832 1094.81357
130.0000 -161.47835 -150.99482 10.48353 2.99345 -150.72938 1169.75436
135.0000 -161.95961 -152.62630 9.33331 2.96800 -151.15332 1111.49135
140.0000 -158.53544 -149.26581 9.26963 2.98088 -150.93880 1146.65360
145.0000 -160.19878 -149.39389 10.80489 3.04683 -149.84010 1170.13914
150.0000 -161.33020 -150.92745 10.40275 3.00007 -150.61909 1130.85426
155.0000 -158.83526 -150.08835 8.74691 2.95769 -151.32517 1113.19968
160.0000 -161.54937 -152.24852 9.30085 2.96095 -151.27080 1106.14487
165.0000 -160.46897 -152.46757 8.00141 2.92336 -151.89715 1077.93656
170.0000 -162.66258 -153.07549 9.58709 2.87191 -152.75419 1028.52270
175.0000 -160.90222 -149.78092 11.12130 2.91729 -151.99816 1086.85869
180.0000 -159.09072 -148.66194 10.42878 3.09571 -149.02576 1185.89617
185.0000 -160.71044 -149.00299 11.70745 3.08446 -149.21314 1186.46372
190.0000 -159.68128 -150.92108 8.76020 3.01515 -150.36780 1137.53917
195.0000 -161.15070 -149.77431 11.37639 2.96361 -151.22645 1084.40542
200.0000 -160.41044 -149.75900 10.65144 3.02678 -150.17417 1137.64333
205.0000 -159.37883 -149.16584 10.21298 3.05478 -149.70769 1156.68449
210.0000 -158.37162 -149.27900 9.09262 3.09323 -149.06714 1199.00603
215.0000 -160.99269 -151.69982 9.29287 2.99609 -150.68548 1129.05721
220.0000 -160.22656 -151.95152 8.27504 2.96781 -151.15659 1098.38710
225.0000 -163.35322 -155.20574 8.14749 2.86735 -152.83025 1005.77150
230.0000 -162.99332 -152.81788 10.17544 2.78788 -154.15421 1000.35045
235.0000 -160.69874 -149.02954 11.66920 2.94218 -151.58361 1082.42250
240.0000 -159.14577 -148.93505 10.21072 3.04820 -149.81720 1135.85155
245.0000 -158.00604 -147.82828 10.17776 3.16770 -147.82636 1213.45361
250.0000 -159.14629 -150.04901 9.09728 3.08938 -149.13115 1221.67722
FREEZING PROCESS: loop number 2 T-loop= 1094.0000000000000
main_MD> interactions number 2 at Temperature= 1094.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.00569 0.03571 1.11212
force_rgl> df(natom) -4.61992 0.93034 0.03140
255.0000 -160.55177 -152.51073 8.04104 2.95726 -151.33240 1077.67070
260.0000 -159.17327 -149.69716 9.47611 2.98770 -150.82521 1165.56568
265.0000 -159.86110 -150.13943 9.72167 3.04674 -149.84155 1153.68108
270.0000 -159.65733 -150.84021 8.81713 2.99544 -150.69630 1088.09500
275.0000 -160.34560 -150.16463 10.18097 3.12183 -148.59060 1203.33088
280.0000 -161.01609 -152.21572 8.80036 2.99773 -150.65817 1136.75818
285.0000 -160.69890 -151.21442 9.48448 2.91742 -151.99609 1083.03588
290.0000 -160.19571 -150.12502 10.07068 2.98088 -150.93877 1126.97794
295.0000 -161.09616 -151.07926 10.01690 2.99944 -150.62964 1156.89087
300.0000 -160.61310 -150.28818 10.32493 2.96046 -151.27894 1098.50527
305.0000 -162.05986 -152.36953 9.69033 2.95304 -151.40264 1094.50918
310.0000 -161.32543 -149.87675 11.44868 2.95344 -151.39603 1092.91615
315.0000 -160.72974 -151.29555 9.43419 3.08328 -149.23285 1147.95104
320.0000 -160.96148 -151.86104 9.10044 2.91201 -152.08618 1057.41336
325.0000 -162.16847 -152.64278 9.52569 2.86514 -152.86696 1038.00960
330.0000 -160.24455 -149.36910 10.87544 2.97627 -151.01563 1095.44039
335.0000 -159.07179 -149.94088 9.13091 2.96582 -151.18966 1130.70425
340.0000 -159.23867 -149.29231 9.94636 3.01993 -150.28830 1166.64038
345.0000 -161.54026 -150.51109 11.02917 3.02367 -150.22594 1162.31519
350.0000 -160.52170 -151.15918 9.36252 2.98488 -150.87218 1116.32146
355.0000 -162.07197 -151.90320 10.16877 2.94517 -151.53371 1099.80311
360.0000 -161.56124 -151.35613 10.20511 2.93019 -151.78336 1078.21699
365.0000 -161.09223 -150.63937 10.45286 2.95717 -151.33384 1110.13873
370.0000 -160.11247 -149.56076 10.55171 3.02930 -150.13216 1173.74311
375.0000 -160.68940 -152.84390 7.84550 2.87761 -152.65927 1040.31846
380.0000 -161.09233 -149.44634 11.64599 2.94637 -151.51371 1113.14658
385.0000 -159.33621 -148.55515 10.78106 3.10282 -148.90737 1212.15674
390.0000 -161.57640 -151.14196 10.43444 2.99437 -150.71404 1165.19966
395.0000 -162.14341 -152.40768 9.73573 2.90042 -152.27929 1032.46597
400.0000 -160.75437 -152.70754 8.04683 2.91737 -151.99680 1103.81498
405.0000 -158.07149 -149.38494 8.68655 2.95908 -151.30195 1083.03596
410.0000 -160.89773 -150.15262 10.74511 3.04722 -149.83357 1147.00809
415.0000 -161.50514 -150.96745 10.53769 3.02006 -150.28611 1137.54979
420.0000 -159.58487 -149.98333 9.60154 3.05890 -149.63904 1180.63341
425.0000 -159.98471 -149.77660 10.20812 3.02480 -150.20718 1126.74982
430.0000 -160.94832 -149.85170 11.09662 3.07360 -149.39413 1169.29806
435.0000 -160.56986 -150.64537 9.92450 3.06175 -149.59158 1152.51180
440.0000 -161.72537 -152.49562 9.22975 2.97750 -150.99512 1087.24516
445.0000 -162.09006 -152.74457 9.34549 2.86018 -152.94974 1031.52824
450.0000 -162.80361 -154.41431 8.38930 2.80803 -153.81841 1000.87145
455.0000 -162.26190 -152.57007 9.69183 2.79546 -154.02783 1007.49380
460.0000 -160.43731 -151.73891 8.69840 2.91284 -152.07240 1007.34567
465.0000 -160.96750 -151.49510 9.47240 2.96196 -151.25398 1076.25224
470.0000 -161.62382 -151.03042 10.59340 2.94114 -151.60088 1104.57682
475.0000 -163.06111 -153.21319 9.84792 2.92240 -151.91307 1089.03282
480.0000 -162.66847 -153.40536 9.26311 2.85706 -153.00170 1038.71694
485.0000 -160.58616 -151.09340 9.49276 2.92645 -151.84555 1100.45138
490.0000 -161.29022 -151.68245 9.60776 2.96834 -151.14768 1096.84153
495.0000 -160.34915 -150.83864 9.51051 2.95744 -151.32935 1078.97599
500.0000 -160.69828 -152.26344 8.43484 2.89075 -152.44044 1066.09943
FREEZING PROCESS: loop number 3 T-loop= 1069.0000000000000
main_MD> interactions number 3 at Temperature= 1069.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49021 -1.65137 2.07167
force_rgl> df(natom) 0.99862 -0.75736 2.11547
505.0000 -162.31659 -153.14265 9.17394 2.92567 -151.85866 1087.59905
510.0000 -162.68449 -153.66735 9.01714 2.81044 -153.77833 992.61925
515.0000 -162.71202 -154.85865 7.85337 2.82046 -153.61145 1011.40723
520.0000 -161.99914 -152.63978 9.35936 2.81577 -153.68951 1011.31840
525.0000 -160.60191 -150.34810 10.25381 2.89305 -152.40200 1067.91337
530.0000 -160.94823 -151.54523 9.40300 2.99011 -150.78511 1118.98994
535.0000 -161.71867 -151.34444 10.37423 2.91355 -152.06051 1072.71997
540.0000 -161.05970 -152.09119 8.96851 2.92517 -151.86699 1082.36811
545.0000 -161.10975 -151.73279 9.37696 2.95957 -151.29377 1133.96025
550.0000 -160.43690 -150.97491 9.46199 2.89655 -152.34378 1069.63465
555.0000 -161.24265 -151.53195 9.71070 2.94074 -151.60750 1094.90466
560.0000 -163.22020 -153.48502 9.73518 2.89492 -152.37095 1050.25728
565.0000 -160.78840 -151.76300 9.02540 2.85810 -152.98424 1021.82329
570.0000 -163.09089 -152.67070 10.42018 2.85727 -152.99818 992.21716
575.0000 -161.05974 -153.04621 8.01353 2.84283 -153.23868 999.33172
580.0000 -161.96644 -151.81832 10.14812 2.87805 -152.65189 1049.12041
585.0000 -162.18039 -154.80128 7.37911 2.79828 -153.98085 997.25614
590.0000 -160.30501 -152.72950 7.57552 2.81536 -153.69644 1020.51253
595.0000 -162.18473 -154.03981 8.14492 2.88505 -152.53528 1027.03321
600.0000 -160.73644 -152.31069 8.42575 2.89582 -152.35592 1039.22093
605.0000 -162.07054 -152.68927 9.38126 2.85907 -152.96815 998.18798
610.0000 -162.14537 -153.49182 8.65354 2.89879 -152.30645 1054.12877
615.0000 -163.52069 -152.83514 10.68555 2.82896 -153.46977 1025.90738
620.0000 -161.00804 -151.49159 9.51644 2.94382 -151.55619 1109.30337
625.0000 -161.64746 -151.38739 10.26007 3.02139 -150.26398 1135.26646
630.0000 -162.03569 -151.84275 10.19293 2.91687 -152.00520 1058.61840
635.0000 -161.38327 -152.30979 9.07348 2.92381 -151.88955 1085.63643
640.0000 -162.36605 -151.80564 10.56041 2.89638 -152.34650 1057.01136
645.0000 -160.43645 -151.01496 9.42149 2.96512 -151.20129 1092.42780
650.0000 -161.50976 -152.98620 8.52356 2.93174 -151.75744 1122.00375
655.0000 -161.93972 -153.31657 8.62316 2.86072 -152.94070 1027.90481
660.0000 -162.04560 -154.67140 7.37420 2.79609 -154.01741 984.97033
665.0000 -164.23722 -154.86956 9.36766 2.75262 -154.74168 952.25224
670.0000 -162.60473 -152.88607 9.71865 2.84998 -153.11966 1069.12897
675.0000 -160.86218 -151.55478 9.30740 2.93482 -151.70615 1073.77313
680.0000 -162.07274 -153.40915 8.66359 2.85842 -152.97904 1023.00454
685.0000 -162.06348 -152.63548 9.42800 2.89092 -152.43762 1077.37890
690.0000 -160.18394 -150.16511 10.01884 2.91503 -152.03586 1093.16120
695.0000 -160.11811 -150.66715 9.45096 2.97859 -150.97698 1126.41013
700.0000 -162.22745 -152.17100 10.05644 2.94609 -151.51841 1131.45392
705.0000 -160.47976 -151.57569 8.90407 2.89129 -152.43134 1037.18160
710.0000 -160.61161 -150.63682 9.97479 2.94535 -151.53068 1084.36584
715.0000 -159.96132 -149.37918 10.58213 3.03846 -149.97962 1126.87784
720.0000 -160.08710 -150.46622 9.62088 3.02226 -150.24948 1147.68689
725.0000 -159.75951 -147.47139 12.28812 2.98414 -150.88444 1122.36583
730.0000 -159.70275 -150.23914 9.46361 3.13411 -148.38607 1174.28475
735.0000 -161.67279 -150.80623 10.86656 2.98776 -150.82424 1111.81744
740.0000 -160.73458 -151.71397 9.02061 3.01523 -150.36649 1167.58602
745.0000 -163.15313 -153.85009 9.30304 2.87159 -152.75961 1053.83500
750.0000 -162.75090 -154.07090 8.68000 2.86852 -152.81079 1051.90394
FREEZING PROCESS: loop number 4 T-loop= 1044.0000000000000
main_MD> interactions number 4 at Temperature= 1044.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38134 -1.73427 1.64840
force_rgl> df(natom) -1.36667 -1.54608 -1.09632
755.0000 -162.65170 -153.14794 9.50376 2.84293 -153.23709 987.97085
760.0000 -158.72448 -149.83527 8.88920 2.92741 -151.82955 1064.80382
765.0000 -161.22455 -152.58303 8.64153 2.99880 -150.64024 1124.55127
770.0000 -162.41951 -153.98818 8.43133 2.84616 -153.18321 1022.61522
775.0000 -161.57470 -153.48743 8.08727 2.80194 -153.92000 966.53879
780.0000 -160.17812 -151.30290 8.87522 2.92497 -151.87026 1080.08058
785.0000 -162.77742 -152.62297 10.15445 2.92496 -151.87039 1086.50727
790.0000 -162.31138 -152.62030 9.69108 2.87911 -152.63422 1048.76447
795.0000 -162.75481 -154.62248 8.13233 2.78908 -154.13422 994.02154
800.0000 -160.32094 -151.15484 9.16609 2.83328 -153.39778 1042.95220
805.0000 -161.01269 -153.14556 7.86713 2.93609 -151.68494 1076.35753
810.0000 -164.36412 -154.41205 9.95208 2.80021 -153.94875 1000.28907
815.0000 -161.89694 -154.05231 7.84463 2.81684 -153.67168 1016.02254
820.0000 -160.39847 -152.88554 7.51293 2.86031 -152.94747 1028.02254
825.0000 -163.09587 -154.14953 8.94634 2.89729 -152.33136 1053.07476
830.0000 -161.22279 -152.18583 9.03696 2.89346 -152.39519 1074.14240
835.0000 -162.16520 -152.95132 9.21387 2.85555 -153.02678 1024.58076
840.0000 -160.70845 -151.64691 9.06154 2.88879 -152.47305 1061.94798
845.0000 -161.10975 -153.43129 7.67846 2.91704 -152.00234 1033.19493
850.0000 -161.29324 -152.17117 9.12206 2.91222 -152.08272 1075.81638
855.0000 -160.80151 -152.49076 8.31075 2.89095 -152.43707 1052.34439
860.0000 -161.12823 -152.01167 9.11655 2.88984 -152.45557 1073.42130
865.0000 -162.36275 -152.78388 9.57887 2.91748 -151.99509 1103.74690
870.0000 -160.69603 -151.15806 9.53797 2.89907 -152.30172 1061.07443
875.0000 -161.84369 -152.94683 8.89685 2.89985 -152.28871 1082.17994
880.0000 -162.89203 -153.98979 8.90224 2.79100 -154.10219 1014.22807
885.0000 -162.56219 -153.02417 9.53802 2.86874 -152.80707 1063.74775
890.0000 -163.67343 -153.17179 10.50164 2.83446 -153.37807 1025.62154
895.0000 -163.56454 -155.21326 8.35128 2.78614 -154.18313 1025.20446
900.0000 -163.37405 -154.39123 8.98282 2.76793 -154.48656 976.19001
905.0000 -160.61804 -152.44379 8.17425 2.80933 -153.79684 997.78492
910.0000 -161.09450 -152.03018 9.06431 2.89264 -152.40884 1036.54406
915.0000 -162.89563 -153.11430 9.78133 2.92052 -151.94441 1064.44964
920.0000 -160.99238 -150.89203 10.10035 2.92226 -151.91543 1088.57584
925.0000 -164.07028 -154.95583 9.11445 2.88544 -152.52876 1077.26971
930.0000 -164.23762 -155.01581 9.22181 2.75148 -154.76059 955.72238
935.0000 -159.88215 -151.28251 8.59965 2.82676 -153.50642 1020.51680
940.0000 -161.80546 -153.42516 8.38030 2.91779 -151.98997 1086.66872
945.0000 -161.22779 -151.81443 9.41336 2.89023 -152.44898 1054.88393
950.0000 -160.57897 -151.99304 8.58593 2.93873 -151.64107 1099.53244
955.0000 -163.13682 -154.28679 8.85004 2.83124 -153.43173 1040.50662
960.0000 -162.04523 -152.90427 9.14096 2.81152 -153.76033 1032.24223
965.0000 -161.22031 -150.70035 10.51996 2.90492 -152.20431 1049.97169
970.0000 -162.95599 -154.35437 8.60162 2.87687 -152.67164 1035.29739
975.0000 -161.36849 -151.15404 10.21445 2.84026 -153.28146 1020.58336
980.0000 -161.75287 -152.11534 9.63753 2.95538 -151.36370 1110.15613
985.0000 -162.75564 -152.26388 10.49175 2.83474 -153.37355 1016.64523
990.0000 -161.95850 -152.14161 9.81689 2.98434 -150.88115 1106.43055
995.0000 -161.24097 -151.98092 9.26005 2.96568 -151.19205 1102.04603
1000.0000 -162.58883 -153.89455 8.69428 2.93938 -151.63020 1127.89127
FREEZING PROCESS: loop number 5 T-loop= 1019.0000000000000
main_MD> interactions number 5 at Temperature= 1019.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39854 -4.45334 -3.20233
force_rgl> df(natom) 2.91075 1.65527 1.07671
1005.0000 -163.18858 -154.70858 8.48000 2.76168 -154.59066 974.14740
1010.0000 -161.95621 -152.97997 8.97624 2.80909 -153.80081 971.31779
1015.0000 -163.50731 -153.21817 10.28913 2.82667 -153.50796 1059.04010
1020.0000 -160.94600 -152.01358 8.93242 2.88739 -152.49629 1070.75422
1025.0000 -161.00840 -151.79754 9.21086 2.92167 -151.92517 1066.95084
1030.0000 -162.58982 -153.50351 9.08632 2.86599 -152.85285 1020.54309
1035.0000 -162.79695 -153.66467 9.13228 2.84723 -153.16538 1028.20452
1040.0000 -161.18762 -152.72428 8.46334 2.85742 -152.99566 1018.91921
1045.0000 -162.24701 -152.83523 9.41179 2.80210 -153.91726 1009.39764
1050.0000 -161.31740 -152.72259 8.59481 2.87837 -152.64654 1052.76895
1055.0000 -160.89683 -152.51234 8.38449 2.87134 -152.76381 1035.33347
1060.0000 -162.57718 -154.19362 8.38357 2.82800 -153.48571 982.59877
1065.0000 -162.86996 -154.13861 8.73134 2.72945 -155.12764 950.23369
1070.0000 -162.43229 -153.97431 8.45798 2.81257 -153.74286 1004.63665
1075.0000 -161.14109 -152.37405 8.76703 2.88193 -152.58727 1037.95699
1080.0000 -160.66848 -151.41932 9.24916 2.94714 -151.50084 1098.06316
1085.0000 -159.70714 -149.43904 10.26810 2.97261 -151.07652 1093.70503
1090.0000 -161.89727 -151.93643 9.96085 2.96919 -151.13355 1118.46705
1095.0000 -163.16822 -154.19932 8.96891 2.90424 -152.21560 1091.96950
1100.0000 -162.55183 -154.79463 7.75720 2.80333 -153.89685 994.50741
1105.0000 -162.74442 -153.61895 9.12547 2.77271 -154.40685 985.31622
1110.0000 -161.37685 -152.99791 8.37894 2.87183 -152.75562 1038.28037
1115.0000 -163.86091 -155.25423 8.60668 2.81360 -153.72574 997.48089
1120.0000 -163.59846 -155.07669 8.52177 2.73139 -155.09527 951.49095
1125.0000 -162.33863 -153.06349 9.27514 2.80907 -153.80117 1003.35908
1130.0000 -161.86714 -152.69673 9.17040 2.85195 -153.08685 1030.38731
1135.0000 -162.90423 -153.43660 9.46763 2.88260 -152.57619 1030.17098
1140.0000 -160.48833 -150.67226 9.81607 2.91476 -152.04033 1084.09640
1145.0000 -159.79254 -150.37491 9.41763 2.96649 -151.17863 1100.07115
1150.0000 -162.65768 -152.74632 9.91136 2.91502 -152.03609 1080.90354
1155.0000 -164.09228 -155.36064 8.73164 2.75415 -154.71604 961.55394
1160.0000 -161.82132 -154.12531 7.69600 2.70557 -155.52553 965.72266
1165.0000 -163.43213 -152.97675 10.45539 2.89827 -152.31503 1048.96393
1170.0000 -163.64010 -154.42607 9.21403 2.83827 -153.31468 1040.84209
1175.0000 -162.38586 -153.24241 9.14345 2.77222 -154.41506 962.81843
1180.0000 -161.92280 -152.77598 9.14682 2.87316 -152.73341 1056.25660
1185.0000 -161.35636 -150.70316 10.65320 2.89246 -152.41193 1040.33948
1190.0000 -161.81291 -153.07044 8.74247 2.91803 -151.98588 1100.37499
1195.0000 -161.77641 -153.35259 8.42382 2.84500 -153.20249 1012.53884
1200.0000 -163.15977 -153.84382 9.31595 2.80007 -153.95116 970.84028
1205.0000 -162.69864 -153.85787 8.84078 2.78205 -154.25132 969.45721
1210.0000 -161.54895 -152.64448 8.90448 2.79870 -153.97399 986.98098
1215.0000 -161.06086 -151.31632 9.74454 2.96600 -151.18668 1092.99136
1220.0000 -159.54914 -149.81453 9.73461 3.02308 -150.23581 1110.97208
1225.0000 -161.98959 -152.91033 9.07926 2.98106 -150.93585 1111.77172
1230.0000 -160.22257 -152.01641 8.20617 2.96239 -151.24687 1117.75940
1235.0000 -161.97336 -152.38814 9.58522 2.93168 -151.75841 1096.68108
1240.0000 -162.33201 -152.67460 9.65741 2.88744 -152.49550 1031.33076
1245.0000 -163.41367 -155.27689 8.13678 2.78653 -154.17662 931.40990
1250.0000 -163.62988 -155.28355 8.34632 2.69356 -155.72553 863.43912
FREEZING PROCESS: loop number 6 T-loop= 994.00000000000000
main_MD> interactions number 6 at Temperature= 994.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09462 -0.51036 0.16692
force_rgl> df(natom) -0.98912 1.14281 -1.55070
1255.0000 -161.41373 -151.91461 9.49911 2.79794 -153.98662 948.27024
1260.0000 -159.11525 -151.36948 7.74577 2.90433 -152.21410 1023.85664
1265.0000 -163.34016 -152.72700 10.61316 2.92503 -151.86930 1044.73499
1270.0000 -162.13093 -154.57757 7.55337 2.76997 -154.45259 966.59087
1275.0000 -162.91637 -153.37861 9.53776 2.80131 -153.93045 995.59022
1280.0000 -162.46938 -155.08162 7.38776 2.74516 -154.86594 976.86455
1285.0000 -161.68793 -154.48166 7.20628 2.76569 -154.52385 982.14075
1290.0000 -163.51653 -154.40672 9.10981 2.72107 -155.26728 969.70622
1295.0000 -163.62483 -153.81379 9.81104 2.74662 -154.84152 952.82536
1300.0000 -163.46279 -155.70623 7.75656 2.75752 -154.65990 973.34062
1305.0000 -164.31241 -154.79790 9.51452 2.74719 -154.83207 952.52841
1310.0000 -165.80877 -156.19578 9.61299 2.73204 -155.08454 964.33656
1315.0000 -162.78503 -154.54200 8.24304 2.72538 -155.19538 957.74408
1320.0000 -162.74851 -152.79700 9.95150 2.80396 -153.88625 992.21311
1325.0000 -161.76398 -152.53945 9.22454 2.81800 -153.65243 961.31943
1330.0000 -161.58164 -152.19000 9.39164 2.87932 -152.63087 1041.71402
1335.0000 -162.87024 -153.61187 9.25837 2.84018 -153.28279 1023.66905
1340.0000 -162.03115 -152.77786 9.25330 2.84557 -153.19307 1011.92992
1345.0000 -161.04711 -153.43772 7.60939 2.84897 -153.13649 1020.43595
1350.0000 -164.28600 -155.16979 9.11621 2.74014 -154.94944 941.80415
1355.0000 -164.30608 -156.30804 7.99804 2.70383 -155.55447 917.91376
1360.0000 -162.71294 -155.10071 7.61222 2.76023 -154.61474 995.49366
1365.0000 -162.89527 -152.81085 10.08441 2.75902 -154.63503 962.05582
1370.0000 -163.64306 -154.60771 9.03535 2.84641 -153.17909 1019.77103
1375.0000 -161.49725 -154.41979 7.07745 2.79290 -154.07055 978.69610
1380.0000 -162.53532 -153.40714 9.12818 2.76853 -154.47658 984.56605
1385.0000 -163.94783 -154.00299 9.94484 2.87935 -152.63030 1047.59282
1390.0000 -164.05710 -155.70490 8.35220 2.78684 -154.17155 990.47373
1395.0000 -163.44973 -155.62428 7.82545 2.67900 -155.96806 933.58176
1400.0000 -163.70858 -155.18144 8.52714 2.69788 -155.65356 930.12409
1405.0000 -163.57072 -153.12604 10.44468 2.77603 -154.35168 973.69731
1410.0000 -162.22016 -153.11804 9.10211 2.83592 -153.35390 1019.10484
1415.0000 -162.29855 -154.16752 8.13103 2.81701 -153.66884 1021.22323
1420.0000 -162.57520 -153.67467 8.90054 2.75216 -154.74934 991.58097
1425.0000 -163.99715 -155.26442 8.73273 2.79601 -154.01874 968.15838
1430.0000 -161.67130 -153.38612 8.28518 2.76536 -154.52934 942.84174
1435.0000 -162.41058 -152.47652 9.93406 2.83367 -153.39124 999.90504
1440.0000 -164.62900 -156.14813 8.48088 2.75780 -154.65526 933.86824
1445.0000 -163.93484 -153.71750 10.21734 2.79255 -154.07635 995.38810
1450.0000 -161.64142 -152.27393 9.36749 2.81932 -153.63042 1014.29954
1455.0000 -162.95617 -153.11973 9.83645 2.85206 -153.08496 1001.04617
1460.0000 -162.62410 -154.37978 8.24432 2.82913 -153.46697 1003.31156
1465.0000 -162.59544 -154.54595 8.04949 2.79281 -154.07200 982.63081
1470.0000 -162.07754 -154.36437 7.71317 2.84971 -153.12413 1045.25435
1475.0000 -163.12289 -155.20850 7.91439 2.77511 -154.36697 953.47947
1480.0000 -161.41550 -152.65776 8.75774 2.77956 -154.29276 991.79553
1485.0000 -161.75042 -150.70008 11.05035 2.87612 -152.68416 1062.08685
1490.0000 -160.77471 -151.67067 9.10403 2.98918 -150.80046 1119.29506
1495.0000 -160.14637 -150.00971 10.13666 2.94900 -151.46992 1068.58817
1500.0000 -163.26312 -154.96384 8.29927 2.91433 -152.04756 1096.53376
FREEZING PROCESS: loop number 7 T-loop= 969.00000000000000
main_MD> interactions number 7 at Temperature= 969.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12991 0.59762 0.27492
force_rgl> df(natom) 1.84825 -1.98691 0.99448
1505.0000 -161.68885 -153.54684 8.14202 2.76891 -154.47022 993.38653
1510.0000 -163.53052 -152.27533 11.25519 2.90356 -152.22691 1067.84280
1515.0000 -162.38836 -153.36508 9.02329 2.82324 -153.56510 1013.43522
1520.0000 -161.42598 -152.55145 8.87453 2.83801 -153.31905 1035.62164
1525.0000 -160.52770 -153.04646 7.48124 2.85666 -153.00834 1018.42366
1530.0000 -162.88909 -156.19520 6.69390 2.74912 -154.79996 952.78442
1535.0000 -164.95795 -156.45284 8.50511 2.61165 -157.09011 839.69110
1540.0000 -164.88325 -156.23744 8.64581 2.66472 -156.20600 904.81259
1545.0000 -164.23123 -155.21433 9.01690 2.69305 -155.73408 930.94072
1550.0000 -162.70093 -153.12948 9.57145 2.80469 -153.87419 998.94005
1555.0000 -161.49671 -153.52438 7.97233 2.81866 -153.64139 985.90808
1560.0000 -163.86562 -155.23460 8.63102 2.72389 -155.22025 953.46739
1565.0000 -163.12939 -154.93969 8.18970 2.71199 -155.41851 937.37416
1570.0000 -162.76275 -151.94929 10.81346 2.84876 -153.13990 1053.46037
1575.0000 -161.54842 -154.97815 6.57027 2.81013 -153.78342 980.05303
1580.0000 -162.80929 -153.63000 9.17929 2.76345 -154.56122 968.92415
1585.0000 -163.65837 -156.08475 7.57362 2.71677 -155.33878 950.43140
1590.0000 -164.32130 -156.10211 8.21919 2.69091 -155.76966 885.63072
1595.0000 -162.52211 -152.04260 10.47951 2.78661 -154.17539 966.19290
1600.0000 -160.63187 -149.77780 10.85407 2.96850 -151.14511 1115.26818
1605.0000 -163.20754 -153.83979 9.36775 2.91201 -152.08625 1085.12549
1610.0000 -163.53758 -155.84442 7.69316 2.75191 -154.75338 938.66065
1615.0000 -164.10657 -154.25495 9.85162 2.69186 -155.75379 904.25782
1620.0000 -161.93360 -153.78953 8.14408 2.75562 -154.69167 967.53364
1625.0000 -161.60461 -151.12968 10.47493 2.85719 -152.99954 1017.34972
1630.0000 -161.52103 -152.05937 9.46166 2.91157 -152.09359 1068.42506
1635.0000 -162.50507 -154.18617 8.31890 2.83079 -153.43934 1001.89019
1640.0000 -161.55434 -153.52385 8.03049 2.82446 -153.54468 1035.97484
1645.0000 -163.97861 -156.47413 7.50449 2.76853 -154.47658 983.42681
1650.0000 -163.77042 -155.91450 7.85592 2.64271 -156.57270 874.30755
1655.0000 -163.91328 -156.78363 7.12965 2.62073 -156.93881 870.54064
1660.0000 -164.28352 -156.31121 7.97231 2.64680 -156.50457 889.17544
1665.0000 -166.53001 -157.87905 8.65097 2.61778 -156.98795 877.48111
1670.0000 -163.81923 -156.98840 6.83083 2.58023 -157.61361 841.80981
1675.0000 -163.47948 -155.05146 8.42803 2.69136 -155.76227 915.91207
1680.0000 -161.64919 -153.77834 7.87086 2.74305 -154.90109 945.93354
1685.0000 -162.19573 -153.18920 9.00653 2.84123 -153.26543 1013.64870
1690.0000 -162.23106 -153.59514 8.63592 2.82532 -153.53042 1011.42736
1695.0000 -162.00452 -154.45288 7.55164 2.85600 -153.01928 1033.42976
1700.0000 -162.32148 -154.39766 7.92382 2.80965 -153.79157 983.43382
1705.0000 -162.83173 -153.96517 8.86655 2.82048 -153.61099 1006.61867
1710.0000 -164.90158 -155.59495 9.30662 2.75221 -154.74848 947.16289
1715.0000 -163.22487 -154.49247 8.73240 2.73053 -155.10967 951.16728
1720.0000 -162.65326 -154.53699 8.11627 2.77694 -154.33637 970.21839
1725.0000 -164.19362 -155.97148 8.22213 2.72847 -155.14400 991.41065
1730.0000 -163.65686 -155.91184 7.74502 2.69692 -155.66951 918.64434
1735.0000 -163.20035 -155.33066 7.86969 2.70451 -155.54309 913.34758
1740.0000 -163.34898 -156.86835 6.48064 2.66493 -156.20255 867.34195
1745.0000 -163.14619 -155.32207 7.82411 2.64627 -156.51336 873.78749
1750.0000 -162.49607 -152.95283 9.54325 2.76440 -154.54540 969.35645
FREEZING PROCESS: loop number 8 T-loop= 944.00000000000000
main_MD> interactions number 8 at Temperature= 944.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18032 1.04372 1.18697
force_rgl> df(natom) 7.33088 1.49556 5.88577
1755.0000 -163.60576 -155.97532 7.63044 2.77073 -154.43985 963.44955
1760.0000 -164.64476 -155.68867 8.95609 2.73368 -155.05706 943.21678
1765.0000 -163.04508 -155.10691 7.93817 2.70646 -155.51062 914.12331
1770.0000 -163.14866 -154.10973 9.03893 2.81203 -153.75184 1006.51841
1775.0000 -161.69820 -152.30882 9.38938 2.80322 -153.89864 954.38344
1780.0000 -162.92803 -155.36867 7.55935 2.78968 -154.12414 938.27346
1785.0000 -164.65251 -155.45048 9.20204 2.65731 -156.32950 892.89234
1790.0000 -164.58054 -156.20990 8.37064 2.68907 -155.80026 907.79010
1795.0000 -163.29207 -154.41297 8.87911 2.73849 -154.97700 948.63517
1800.0000 -164.59695 -156.80227 7.79468 2.67597 -156.01857 908.37121
1805.0000 -165.08985 -156.48315 8.60671 2.64365 -156.55698 864.81215
1810.0000 -165.97935 -157.30178 8.67756 2.66501 -156.20110 903.87478
1815.0000 -165.27610 -157.04633 8.22977 2.62465 -156.87360 891.30228
1820.0000 -165.00200 -157.16416 7.83784 2.65292 -156.40256 889.90058
1825.0000 -162.33559 -155.31782 7.01777 2.64195 -156.58534 888.68775
1830.0000 -161.47925 -154.41843 7.06082 2.75711 -154.66672 976.00731
1835.0000 -164.13893 -155.20389 8.93505 2.74123 -154.93141 961.37678
1840.0000 -165.05363 -156.29779 8.75585 2.70806 -155.48401 939.80044
1845.0000 -162.70664 -155.96991 6.73674 2.66273 -156.23919 937.72456
1850.0000 -163.76113 -155.35636 8.40476 2.64477 -156.53841 891.92732
1855.0000 -164.27230 -155.85406 8.41824 2.75315 -154.73284 954.10856
1860.0000 -164.30481 -154.80860 9.49621 2.72224 -155.24771 908.44878
1865.0000 -163.47600 -154.32770 9.14830 2.75565 -154.69107 961.90107
1870.0000 -163.26583 -154.21248 9.05335 2.78966 -154.12448 958.88708
1875.0000 -163.71319 -156.69996 7.01323 2.67734 -155.99584 923.02898
1880.0000 -164.83920 -155.12207 9.71713 2.63318 -156.73149 898.88311
1885.0000 -164.91797 -156.86724 8.05073 2.67407 -156.05026 903.14339
1890.0000 -161.69515 -152.43755 9.25760 2.74582 -154.85493 966.67518
1895.0000 -163.35975 -154.92183 8.43791 2.74033 -154.94633 938.83443
1900.0000 -163.72837 -156.23905 7.48932 2.71588 -155.35375 936.15872
1905.0000 -164.35899 -156.53962 7.81937 2.67106 -156.10039 891.57209
1910.0000 -163.32091 -155.67435 7.64656 2.65920 -156.29804 862.89543
1915.0000 -164.96831 -157.10581 7.86250 2.63488 -156.70321 888.94332
1920.0000 -166.21681 -158.75060 7.46622 2.60163 -157.25704 859.81293
1925.0000 -163.66893 -153.93648 9.73245 2.65149 -156.42643 900.94190
1930.0000 -163.80585 -157.07750 6.72835 2.68629 -155.84671 934.04076
1935.0000 -164.72093 -157.87737 6.84356 2.57896 -157.63474 840.69174
1940.0000 -162.94217 -156.19544 6.74673 2.64582 -156.52080 860.94232
1945.0000 -166.11326 -157.10108 9.01217 2.64074 -156.60559 889.67678
1950.0000 -165.25569 -157.01410 8.24159 2.58092 -157.60205 863.97684
1955.0000 -162.37578 -154.39021 7.98557 2.70755 -155.49243 956.22563
1960.0000 -164.05382 -155.02803 9.02579 2.77563 -154.35820 972.27216
1965.0000 -164.15805 -156.04373 8.11432 2.68851 -155.80963 898.09836
1970.0000 -165.43889 -156.98863 8.45027 2.66604 -156.18398 915.57548
1975.0000 -164.37352 -156.17051 8.20302 2.66749 -156.15990 893.48308
1980.0000 -163.79783 -153.84867 9.94916 2.74361 -154.89171 968.86882
1985.0000 -162.88750 -155.96019 6.92732 2.73448 -155.04385 939.07651
1990.0000 -163.50527 -154.28579 9.21948 2.68502 -155.86787 932.07003
1995.0000 -160.81702 -150.63313 10.18389 2.87799 -152.65294 1031.66098
2000.0000 -163.01637 -155.29934 7.71704 2.86071 -152.94091 1055.05666
FREEZING PROCESS: loop number 9 T-loop= 919.00000000000000
main_MD> interactions number 9 at Temperature= 919.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01939 0.96532 1.09057
force_rgl> df(natom) -6.51375 7.64837 0.56128
2005.0000 -162.82096 -154.14908 8.67188 2.76332 -154.56328 978.15217
2010.0000 -163.23134 -156.00585 7.22549 2.72294 -155.23611 905.09854
2015.0000 -164.93811 -156.42534 8.51277 2.69289 -155.73669 889.09911
2020.0000 -163.29855 -156.68707 6.61148 2.62497 -156.86823 865.05013
2025.0000 -165.17981 -157.26498 7.91484 2.60090 -157.26928 847.63342
2030.0000 -162.65738 -156.03471 6.62267 2.68451 -155.87624 945.37529
2035.0000 -164.12650 -155.89934 8.22717 2.68527 -155.86358 905.03301
2040.0000 -165.03958 -156.96226 8.07733 2.65052 -156.44252 872.02138
2045.0000 -164.72053 -156.44669 8.27384 2.60412 -157.21557 849.22539
2050.0000 -165.29058 -155.28705 10.00353 2.74047 -154.94402 965.53831
2055.0000 -165.43976 -157.52280 7.91696 2.64257 -156.57508 895.58865
2060.0000 -163.83352 -156.47597 7.35756 2.72143 -155.26125 930.25894
2065.0000 -165.39546 -157.86214 7.53332 2.62023 -156.94714 881.21098
2070.0000 -165.94700 -159.43973 6.50727 2.59533 -157.36210 852.58034
2075.0000 -166.00859 -157.92441 8.08418 2.54517 -158.19763 820.26330
2080.0000 -164.80834 -156.02429 8.78405 2.65897 -156.30187 914.17137
2085.0000 -164.99391 -155.83682 9.15708 2.69041 -155.77807 917.96916
2090.0000 -166.15879 -158.89948 7.25931 2.64189 -156.58632 891.48399
2095.0000 -165.75517 -157.58878 8.16640 2.50039 -158.94367 787.09559
2100.0000 -166.06048 -157.91222 8.14826 2.54711 -158.16534 829.30789
2105.0000 -164.87145 -156.37387 8.49758 2.64704 -156.50048 889.16522
2110.0000 -164.81974 -157.46145 7.35829 2.60688 -157.16967 879.33420
2115.0000 -164.56999 -157.49981 7.07018 2.59589 -157.35264 882.23461
2120.0000 -163.68688 -155.69858 7.98830 2.68300 -155.90145 949.09839
2125.0000 -164.82472 -155.42739 9.39733 2.75172 -154.75656 984.71210
2130.0000 -165.48836 -157.42451 8.06384 2.62983 -156.78736 859.93225
2135.0000 -163.99429 -153.79667 10.19761 2.70802 -155.48463 944.78139
2140.0000 -165.08472 -155.97369 9.11103 2.71864 -155.30779 952.01819
2145.0000 -163.58568 -156.57505 7.01063 2.62511 -156.86589 858.75832
2150.0000 -165.20901 -156.54049 8.66852 2.62592 -156.85240 905.14866
2155.0000 -164.21699 -156.85502 7.36198 2.62798 -156.81803 845.07277
2160.0000 -164.38497 -155.51637 8.86860 2.66676 -156.17199 905.92469
2165.0000 -165.20309 -157.14941 8.05368 2.59939 -157.29440 891.50411
2170.0000 -162.39495 -154.59698 7.79797 2.72527 -155.19730 937.27578
2175.0000 -162.98469 -155.45201 7.53268 2.78171 -154.25690 958.86402
2180.0000 -163.75466 -155.62546 8.12919 2.69434 -155.71260 909.20033
2185.0000 -163.20091 -153.94836 9.25254 2.77080 -154.43873 989.62335
2190.0000 -164.90246 -156.48380 8.41867 2.69615 -155.68246 940.06979
2195.0000 -163.77486 -155.31303 8.46183 2.74570 -154.85685 946.02854
2200.0000 -163.18074 -156.57797 6.60277 2.65137 -156.42835 870.29875
2205.0000 -166.11788 -157.68708 8.43080 2.58897 -157.46802 862.80224
2210.0000 -166.26613 -158.53608 7.73004 2.56967 -157.78954 856.71451
2215.0000 -163.59574 -156.02053 7.57521 2.55883 -157.97019 821.12457
2220.0000 -164.96137 -156.55211 8.40925 2.59784 -157.32015 870.08618
2225.0000 -165.43644 -158.83117 6.60527 2.61021 -157.11417 875.51397
2230.0000 -165.96272 -156.69702 9.26570 2.53050 -158.44202 816.54432
2235.0000 -165.74628 -157.11098 8.63530 2.63226 -156.74683 905.58353
2240.0000 -165.45687 -158.00110 7.45577 2.63332 -156.72909 901.00916
2245.0000 -165.19024 -157.09260 8.09763 2.58795 -157.48506 838.42105
2250.0000 -164.69922 -156.50450 8.19472 2.61517 -157.03150 879.18466
FREEZING PROCESS: loop number 10 T-loop= 894.00000000000000
main_MD> interactions number 10 at Temperature= 894.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.80802 1.06435 1.60635
force_rgl> df(natom) 0.15382 4.26141 -0.20056
2255.0000 -163.21387 -154.84671 8.36716 2.67828 -155.98007 917.64642
2260.0000 -164.70845 -156.49794 8.21051 2.61258 -157.07459 841.87055
2265.0000 -164.18907 -155.05628 9.13280 2.65355 -156.39214 892.75419
2270.0000 -164.98920 -158.57445 6.41475 2.60941 -157.12749 859.47553
2275.0000 -164.48080 -157.82695 6.65384 2.58503 -157.53357 840.37635
2280.0000 -164.29949 -157.57976 6.71973 2.61471 -157.03912 855.04906
2285.0000 -163.52822 -156.38425 7.14397 2.63114 -156.76547 889.90469
2290.0000 -164.20248 -156.50662 7.69586 2.60436 -157.21167 879.33396
2295.0000 -165.01064 -157.79990 7.21074 2.62721 -156.83092 900.28554
2300.0000 -163.87566 -156.87785 6.99782 2.63393 -156.71903 868.08177
2305.0000 -163.27526 -155.12428 8.15098 2.65353 -156.39250 891.33581
2310.0000 -164.26383 -155.74580 8.51803 2.68540 -155.86147 916.96012
2315.0000 -163.34262 -155.43200 7.91062 2.71591 -155.35324 898.94051
2320.0000 -163.13260 -156.02210 7.11050 2.70231 -155.57970 907.61241
2325.0000 -164.03505 -156.35124 7.68381 2.69239 -155.74503 927.11898
2330.0000 -165.52585 -157.50011 8.02573 2.65478 -156.37161 876.80064
2335.0000 -164.10074 -156.61159 7.48915 2.59636 -157.34493 846.87786
2340.0000 -163.69929 -154.85017 8.84912 2.69542 -155.69462 941.67593
2345.0000 -164.21288 -157.23793 6.97495 2.59340 -157.39414 862.85086
2350.0000 -164.50446 -156.36631 8.13815 2.64295 -156.56866 877.47589
2355.0000 -163.69302 -156.15384 7.53918 2.55928 -157.96257 818.37635
2360.0000 -163.71068 -155.76903 7.94165 2.70935 -155.46243 947.65809
2365.0000 -165.33878 -157.63140 7.70739 2.61183 -157.08721 885.96294
2370.0000 -164.66265 -158.38498 6.27767 2.52542 -158.52676 792.40651
2375.0000 -165.12757 -157.40168 7.72589 2.58975 -157.45496 829.94126
2380.0000 -164.35533 -156.89196 7.46337 2.62153 -156.92548 840.44757
2385.0000 -164.45251 -156.39676 8.05575 2.60827 -157.14653 838.06276
2390.0000 -163.73696 -155.57261 8.16435 2.67145 -156.09393 892.43909
2395.0000 -164.84058 -156.22306 8.61752 2.68252 -155.90941 901.67936
2400.0000 -163.93852 -155.80714 8.13139 2.69534 -155.69589 904.56539
2405.0000 -165.56065 -158.20174 7.35891 2.60509 -157.19943 892.63651
2410.0000 -164.68257 -156.79891 7.88366 2.57270 -157.73903 841.52304
2415.0000 -164.37832 -156.54855 7.82978 2.64413 -156.54904 885.20168
2420.0000 -164.49843 -156.31696 8.18146 2.69030 -155.77978 905.13938
2425.0000 -163.44208 -156.53331 6.90876 2.69547 -155.69376 914.19215
2430.0000 -164.34444 -156.47027 7.87417 2.64934 -156.46216 896.07604
2435.0000 -164.75439 -156.32928 8.42511 2.60110 -157.26584 863.47424
2440.0000 -164.06302 -155.83762 8.22540 2.69261 -155.74136 927.80492
2445.0000 -164.85434 -156.96513 7.88921 2.67471 -156.03952 923.21652
2450.0000 -163.46547 -156.80472 6.66075 2.62041 -156.94418 857.98864
2455.0000 -164.22398 -155.65226 8.57171 2.62690 -156.83615 871.16204
2460.0000 -164.78478 -157.74484 7.03994 2.65399 -156.38473 886.38973
2465.0000 -164.45471 -156.20871 8.24600 2.65141 -156.42777 927.43950
2470.0000 -164.55481 -156.56164 7.99316 2.64000 -156.61790 896.64643
2475.0000 -164.82246 -156.48095 8.34151 2.63228 -156.74641 870.26959
2480.0000 -162.67977 -153.88745 8.79232 2.64925 -156.46370 885.73989
2485.0000 -164.48120 -156.06962 8.41158 2.77874 -154.30647 976.80992
2490.0000 -163.70161 -156.02003 7.68158 2.66891 -156.13626 895.36986
2495.0000 -164.24491 -156.87257 7.37234 2.65929 -156.29641 903.78246
2500.0000 -163.84035 -155.10455 8.73580 2.70123 -155.59776 927.67275
FREEZING PROCESS: loop number 11 T-loop= 869.00000000000000
main_MD> interactions number 11 at Temperature= 869.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65177 -0.57796 -0.19817
force_rgl> df(natom) -1.48328 2.78786 -0.89436
2505.0000 -165.07182 -156.66910 8.40272 2.65964 -156.29067 918.58345
2510.0000 -164.82615 -157.15718 7.66897 2.64550 -156.52618 923.48261
2515.0000 -163.45543 -154.63008 8.82535 2.71670 -155.34007 928.16817
2520.0000 -163.19622 -154.71601 8.48021 2.72486 -155.20416 964.34287
2525.0000 -164.92772 -156.63247 8.29526 2.70948 -155.46023 926.63092
2530.0000 -163.51401 -156.95932 6.55468 2.63730 -156.66286 890.85756
2535.0000 -166.00488 -159.07593 6.92894 2.55862 -157.97365 816.96193
2540.0000 -166.07551 -158.50115 7.57436 2.51721 -158.66349 808.45666
2545.0000 -164.49149 -156.71291 7.77858 2.54128 -158.26249 838.65664
2550.0000 -163.89185 -157.83015 6.06170 2.62303 -156.90059 888.92240
2555.0000 -164.95797 -155.91737 9.04060 2.64880 -156.47130 916.31763
2560.0000 -165.11639 -156.80063 8.31576 2.62542 -156.86074 897.00919
2565.0000 -166.50083 -158.87594 7.62489 2.54536 -158.19446 823.93566
2570.0000 -165.33269 -155.67232 9.66038 2.63839 -156.64468 872.70357
2575.0000 -164.69377 -156.73982 7.95395 2.65013 -156.44908 904.36536
2580.0000 -163.82235 -156.43334 7.38901 2.64302 -156.56747 854.15256
2585.0000 -163.87561 -156.92958 6.94603 2.61623 -157.01385 882.03652
2590.0000 -167.38390 -160.21706 7.16683 2.49678 -159.00384 798.36021
2595.0000 -166.79461 -159.64595 7.14866 2.46677 -159.50386 780.09891
2600.0000 -163.39141 -156.93600 6.45541 2.55456 -158.04124 843.01306
2605.0000 -164.20924 -156.37458 7.83466 2.62164 -156.92374 892.25143
2610.0000 -163.53381 -156.10880 7.42501 2.62932 -156.79574 874.84752
2615.0000 -164.68174 -156.59054 8.09121 2.67315 -156.06555 893.36245
2620.0000 -165.66227 -156.73605 8.92622 2.63094 -156.76885 904.24008
2625.0000 -164.82553 -157.22839 7.59714 2.64234 -156.57891 886.48354
2630.0000 -165.37639 -158.10414 7.27224 2.56159 -157.92412 858.13016
2635.0000 -163.96287 -155.91768 8.04519 2.64941 -156.46114 904.71874
2640.0000 -164.02014 -156.82479 7.19534 2.68941 -155.79469 927.52496
2645.0000 -165.27808 -157.31238 7.96570 2.63962 -156.62413 911.46695
2650.0000 -164.99652 -156.71406 8.28246 2.65233 -156.41235 885.72786
2655.0000 -164.03632 -155.78681 8.24951 2.68431 -155.87971 913.75129
2660.0000 -164.37825 -157.06814 7.31011 2.66384 -156.22060 905.49458
2665.0000 -164.85721 -157.16054 7.69667 2.61523 -157.03058 877.45301
2670.0000 -163.16365 -156.49210 6.67155 2.62110 -156.93276 854.75625
2675.0000 -165.70470 -158.14865 7.55605 2.60331 -157.22916 859.28983
2680.0000 -165.43402 -157.06326 8.37077 2.58045 -157.60992 852.79762
2685.0000 -165.35991 -158.99533 6.36458 2.52691 -158.50195 786.87612
2690.0000 -165.52531 -158.39635 7.12896 2.54111 -158.26541 818.96279
2695.0000 -166.03052 -157.47129 8.55923 2.59386 -157.38651 862.42097
2700.0000 -165.15015 -156.67075 8.47941 2.61968 -156.95639 890.68428
2705.0000 -164.47380 -156.30150 8.17229 2.61829 -156.97946 863.91230
2710.0000 -166.55585 -157.95371 8.60214 2.58649 -157.50936 875.74931
2715.0000 -163.87687 -156.19119 7.68568 2.64932 -156.46254 902.91959
2720.0000 -166.03299 -156.25264 9.78034 2.63989 -156.61969 877.79978
2725.0000 -162.79241 -153.94143 8.85099 2.68428 -155.88022 939.66165
2730.0000 -162.47656 -155.21748 7.25908 2.81360 -153.72570 1017.91178
2735.0000 -164.52348 -155.36410 9.15938 2.71529 -155.36345 939.88476
2740.0000 -165.10027 -156.88315 8.21712 2.65838 -156.31156 903.02075
2745.0000 -162.76877 -154.77231 7.99647 2.68660 -155.84157 898.65962
2750.0000 -165.63877 -157.93711 7.70166 2.65899 -156.30142 907.69486
FREEZING PROCESS: loop number 12 T-loop= 844.00000000000000
main_MD> interactions number 12 at Temperature= 844.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.47343 -0.38362 -0.31059
force_rgl> df(natom) -1.91004 1.69786 -0.25979
2755.0000 -167.15346 -158.92720 8.22626 2.50305 -158.89948 797.52700
2760.0000 -164.42632 -157.58060 6.84572 2.55509 -158.03247 820.32426
2765.0000 -166.68667 -159.77338 6.91329 2.54174 -158.25483 835.68923
2770.0000 -165.45798 -158.80432 6.65366 2.50377 -158.88738 787.79587
2775.0000 -163.57642 -156.28553 7.29089 2.57448 -157.70933 828.72660
2780.0000 -162.84292 -155.29697 7.54595 2.69790 -155.65324 934.69952
2785.0000 -164.08216 -156.29363 7.78853 2.64203 -156.58404 818.82146
2790.0000 -164.29968 -156.92359 7.37609 2.61561 -157.02412 893.16053
2795.0000 -166.23275 -157.75709 8.47566 2.58272 -157.57214 873.69968
2800.0000 -164.83135 -155.79170 9.03965 2.66710 -156.16635 896.04355
2805.0000 -165.79974 -159.43069 6.36905 2.54372 -158.22187 834.56517
2810.0000 -166.06480 -158.11681 7.94800 2.53576 -158.35448 804.82839
2815.0000 -164.48215 -157.87481 6.60734 2.56253 -157.90850 819.24150
2820.0000 -164.60086 -156.70571 7.89515 2.58188 -157.58613 846.92913
2825.0000 -164.64430 -157.86358 6.78072 2.59313 -157.39865 803.87552
2830.0000 -163.82630 -155.98487 7.84143 2.59673 -157.33871 851.99186
2835.0000 -163.97420 -156.18982 7.78439 2.67177 -156.08848 884.02665
2840.0000 -162.31819 -154.74123 7.57696 2.71907 -155.30052 919.97584
2845.0000 -163.73327 -155.83845 7.89482 2.75005 -154.78445 924.92249
2850.0000 -165.13721 -156.84164 8.29556 2.71506 -155.36730 941.66168
2855.0000 -163.73257 -155.78200 7.95058 2.62474 -156.87205 848.62888
2860.0000 -163.88265 -156.96495 6.91770 2.68315 -155.89893 916.40353
2865.0000 -165.56722 -157.84894 7.71827 2.58651 -157.50905 843.43248
2870.0000 -164.59861 -157.83910 6.75951 2.58985 -157.45337 840.42379
2875.0000 -164.46377 -157.18001 7.28376 2.61600 -157.01769 868.92805
2880.0000 -165.21244 -157.39339 7.81905 2.54943 -158.12666 851.30259
2885.0000 -164.88018 -157.27449 7.60568 2.53270 -158.40553 834.17673
2890.0000 -165.45275 -158.30157 7.15117 2.60218 -157.24791 864.80760
2895.0000 -165.42967 -157.35389 8.07578 2.58735 -157.49497 850.96125
2900.0000 -164.54215 -157.56576 6.97639 2.60238 -157.24467 853.18564
2905.0000 -165.76889 -158.89525 6.87365 2.51442 -158.71001 810.62209
2910.0000 -164.43646 -156.96473 7.47174 2.57354 -157.72502 861.27184
2915.0000 -163.96203 -156.75332 7.20870 2.61504 -157.03360 867.98190
2920.0000 -166.42691 -158.98060 7.44631 2.57172 -157.75539 851.44970
2925.0000 -164.36825 -157.43824 6.93001 2.49667 -159.00569 780.07285
2930.0000 -166.58823 -158.50701 8.08122 2.54091 -158.26861 849.25721
2935.0000 -164.63515 -158.07506 6.56009 2.53973 -158.28836 831.26616
2940.0000 -163.43808 -155.07045 8.36763 2.67157 -156.09190 922.43487
2945.0000 -166.06844 -156.77232 9.29613 2.65712 -156.33267 892.32899
2950.0000 -164.74858 -158.57822 6.17036 2.57710 -157.66577 856.93731
2955.0000 -166.14410 -159.79296 6.35114 2.48948 -159.12542 794.34564
2960.0000 -167.51028 -160.85436 6.65592 2.42802 -160.14942 756.55174
2965.0000 -166.43754 -158.20390 8.23364 2.47255 -159.40746 793.88598
2970.0000 -165.64843 -158.03631 7.61212 2.57724 -157.66349 828.23974
2975.0000 -165.69438 -156.97218 8.72219 2.61908 -156.96643 868.79548
2980.0000 -164.99099 -155.75817 9.23283 2.62602 -156.85079 875.44805
2985.0000 -164.46609 -156.88090 7.58520 2.65984 -156.28725 917.79578
2990.0000 -164.68127 -157.34067 7.34060 2.59936 -157.29484 881.21110
2995.0000 -164.36427 -157.62367 6.74060 2.61799 -156.98451 883.15631
3000.0000 -166.12783 -158.55405 7.57379 2.58238 -157.57773 840.48228
FREEZING PROCESS: loop number 13 T-loop= 819.00000000000000
main_MD> interactions number 13 at Temperature= 819.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.63917 0.79184 -0.73233
force_rgl> df(natom) 0.54999 -1.60379 -1.97391
3005.0000 -166.83162 -159.41739 7.41423 2.49700 -159.00013 797.49620
3010.0000 -166.11302 -158.99382 7.11920 2.50640 -158.84362 795.74960
3015.0000 -166.21644 -159.41500 6.80144 2.55639 -158.01079 822.90206
3020.0000 -166.45334 -159.00507 7.44826 2.52496 -158.53448 827.00083
3025.0000 -164.29078 -156.99328 7.29750 2.58629 -157.51267 860.81327
3030.0000 -164.91735 -158.67907 6.23828 2.59197 -157.41802 823.30846
3035.0000 -166.13792 -158.26709 7.87083 2.55189 -158.08576 848.74933
3040.0000 -165.63076 -159.05170 6.57906 2.50030 -158.94521 793.71252
3045.0000 -166.07944 -158.89582 7.18362 2.52483 -158.53655 813.56829
3050.0000 -165.73561 -159.38473 6.35088 2.51602 -158.68338 785.34181
3055.0000 -166.08106 -157.40594 8.67512 2.53888 -158.30243 817.29815
3060.0000 -164.60097 -157.41229 7.18867 2.57556 -157.69136 827.40684
3065.0000 -163.74000 -156.80395 6.93605 2.62746 -156.82678 897.75396
3070.0000 -164.80112 -158.02351 6.77761 2.58257 -157.57461 842.36298
3075.0000 -166.17223 -158.83900 7.33323 2.53770 -158.32220 810.69430
3080.0000 -166.36698 -159.56132 6.80566 2.47917 -159.29732 787.96782
3085.0000 -164.95055 -156.49126 8.45930 2.51488 -158.70238 832.56374
3090.0000 -166.14200 -158.66196 7.48004 2.59496 -157.36817 860.80850
3095.0000 -166.96091 -160.19656 6.76435 2.47347 -159.39221 765.98697
3100.0000 -167.26720 -159.59409 7.67312 2.41543 -160.35911 751.23313
3105.0000 -166.23425 -159.10788 7.12637 2.50362 -158.88994 825.05567
3110.0000 -165.52871 -159.14496 6.38375 2.47149 -159.42523 776.08427
3115.0000 -165.86538 -158.81117 7.05422 2.49582 -159.01993 795.88568
3120.0000 -165.92151 -157.33135 8.59016 2.48883 -159.13626 783.92462
3125.0000 -165.57609 -158.39883 7.17726 2.60499 -157.20113 887.58229
3130.0000 -165.74230 -159.21131 6.53099 2.55575 -158.02145 836.22366
3135.0000 -165.68576 -158.50084 7.18492 2.46379 -159.55346 737.49278
3140.0000 -164.61756 -157.36401 7.25354 2.61442 -157.04401 871.59492
3145.0000 -164.84574 -158.30656 6.53918 2.57067 -157.77293 839.27815
3150.0000 -167.35041 -159.47495 7.87546 2.44676 -159.83723 769.12720
3155.0000 -166.18081 -159.08474 7.09607 2.47983 -159.28628 783.19320
3160.0000 -166.15627 -157.87525 8.28102 2.55995 -157.95146 835.11130
3165.0000 -165.09017 -157.15009 7.94008 2.59975 -157.28837 857.91627
3170.0000 -165.79585 -159.13371 6.66214 2.53419 -158.38064 806.00051
3175.0000 -166.97257 -158.95089 8.02168 2.49648 -159.00890 802.64324
3180.0000 -165.34809 -159.30589 6.04221 2.50767 -158.82241 803.45371
3185.0000 -165.04768 -158.65720 6.39049 2.51494 -158.70135 766.86989
3190.0000 -166.44069 -159.04494 7.39575 2.53868 -158.30579 814.75410
3195.0000 -164.98894 -157.97296 7.01598 2.55800 -157.98394 796.27809
3200.0000 -166.07571 -158.33023 7.74548 2.52501 -158.53348 806.36263
3205.0000 -165.37021 -159.18039 6.18982 2.49373 -159.05465 797.06996
3210.0000 -166.34702 -158.98236 7.36466 2.49270 -159.07190 794.38209
3215.0000 -165.71572 -157.92946 7.78626 2.48607 -159.18222 797.97438
3220.0000 -166.20358 -158.94477 7.25882 2.52856 -158.47442 827.93945
3225.0000 -166.21806 -159.29599 6.92207 2.50584 -158.85295 769.65020
3230.0000 -165.77575 -157.57557 8.20018 2.56004 -157.94995 813.68170
3235.0000 -164.67325 -158.70115 5.97210 2.52446 -158.54267 800.46638
3240.0000 -165.42139 -157.72729 7.69409 2.55183 -158.08680 823.25068
3245.0000 -165.26706 -158.14033 7.12673 2.59317 -157.39802 880.29305
3250.0000 -165.25428 -158.48051 6.77377 2.54212 -158.24855 791.10378
FREEZING PROCESS: loop number 14 T-loop= 794.00000000000000
main_MD> interactions number 14 at Temperature= 794.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.00422 -0.02355 2.25165
force_rgl> df(natom) -1.40297 2.23550 0.11645
3255.0000 -164.54793 -157.71181 6.83612 2.55927 -157.96283 791.14678
3260.0000 -165.15334 -158.41505 6.73829 2.54041 -158.27708 812.19900
3265.0000 -165.99169 -156.55585 9.43584 2.55911 -157.96546 835.31285
3270.0000 -161.90891 -153.10952 8.79939 2.69877 -155.63868 918.63227
3275.0000 -163.21195 -155.55774 7.65422 2.76314 -154.56632 945.01458
3280.0000 -165.86534 -158.41135 7.45399 2.63841 -156.64440 865.39315
3285.0000 -166.60019 -160.30223 6.29797 2.47611 -159.34816 744.28954
3290.0000 -165.77133 -159.75141 6.01991 2.43104 -160.09903 752.63164
3295.0000 -165.55189 -157.94027 7.61161 2.51432 -158.71174 791.41258
3300.0000 -166.01535 -159.99514 6.02022 2.46977 -159.45393 739.21112
3305.0000 -165.80099 -158.00449 7.79650 2.46652 -159.50806 776.34687
3310.0000 -165.71484 -159.34705 6.36779 2.51312 -158.73158 791.70049
3315.0000 -165.25798 -158.66913 6.58886 2.50561 -158.85678 808.65993
3320.0000 -166.16150 -158.71863 7.44286 2.45622 -159.67963 782.42883
3325.0000 -166.86973 -160.29180 6.57793 2.46472 -159.53794 801.21813
3330.0000 -166.63831 -160.18896 6.44935 2.37628 -161.01146 728.28585
3335.0000 -166.36199 -159.58996 6.77203 2.48513 -159.19803 755.14376
3340.0000 -166.79391 -160.08558 6.70833 2.48634 -159.17783 773.78034
3345.0000 -167.19442 -159.32758 7.86684 2.45974 -159.62102 775.37292
3350.0000 -165.64311 -158.44242 7.20069 2.48442 -159.20977 765.93360
3355.0000 -164.92653 -158.27078 6.65575 2.56619 -157.84754 814.52363
3360.0000 -164.67572 -157.39093 7.28479 2.58312 -157.56539 845.75048
3365.0000 -164.88703 -156.26634 8.62068 2.60273 -157.23881 866.82462
3370.0000 -164.40174 -156.45623 7.94552 2.68605 -155.85057 909.29474
3375.0000 -165.95694 -158.96839 6.98855 2.57458 -157.70770 845.20584
3380.0000 -167.52250 -161.56447 5.95803 2.40822 -160.47921 753.51645
3385.0000 -166.40192 -160.73066 5.67127 2.36106 -161.26495 697.45269
3390.0000 -167.78467 -162.73622 5.04845 2.32921 -161.79551 696.66307
3395.0000 -167.99928 -162.18904 5.81025 2.31283 -162.06845 689.07686
3400.0000 -167.74304 -160.99635 6.74669 2.37347 -161.05821 727.24380
3405.0000 -166.58563 -161.29291 5.29271 2.38212 -160.91411 736.73546
3410.0000 -167.80928 -159.15419 8.65509 2.40062 -160.60583 719.20056
3415.0000 -166.00044 -158.35713 7.64331 2.54660 -158.17391 821.81517
3420.0000 -166.55085 -159.81503 6.73582 2.56268 -157.90604 824.11193
3425.0000 -166.26485 -159.81947 6.44537 2.47878 -159.30380 779.77371
3430.0000 -166.31064 -159.81586 6.49478 2.45593 -159.68441 772.55318
3435.0000 -165.58626 -159.28397 6.30228 2.47073 -159.43780 783.79815
3440.0000 -167.05778 -159.39397 7.66381 2.45466 -159.70551 781.77794
3445.0000 -165.30574 -158.09620 7.20954 2.53277 -158.40431 821.74790
3450.0000 -167.19474 -159.52706 7.66768 2.48963 -159.12305 805.91770
3455.0000 -166.62790 -158.03626 8.59164 2.54534 -158.19485 838.34317
3460.0000 -166.93911 -159.54249 7.39663 2.52132 -158.59500 805.90663
3465.0000 -166.12579 -159.47060 6.65519 2.47774 -159.32104 786.45582
3470.0000 -165.86009 -158.91781 6.94228 2.46115 -159.59744 744.07038
3475.0000 -165.23964 -158.80304 6.43660 2.50323 -158.89637 791.36554
3480.0000 -165.20277 -158.17319 7.02958 2.58101 -157.60057 853.31495
3485.0000 -166.70126 -159.47645 7.22481 2.48488 -159.20209 791.68720
3490.0000 -165.58791 -157.81654 7.77137 2.51944 -158.62637 817.70136
3495.0000 -165.95186 -158.72584 7.22602 2.50264 -158.90619 763.15490
3500.0000 -165.90663 -158.82098 7.08565 2.55058 -158.10753 813.50892
FREEZING PROCESS: loop number 15 T-loop= 769.00000000000000
main_MD> interactions number 15 at Temperature= 769.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10027 -1.32477 -3.51413
force_rgl> df(natom) -1.23225 -1.86326 0.87464
3505.0000 -165.38429 -158.14054 7.24375 2.49396 -159.05082 788.96369
3510.0000 -166.50604 -159.62585 6.88020 2.46973 -159.45457 778.35331
3515.0000 -165.53401 -159.98727 5.54674 2.40944 -160.45901 739.37447
3520.0000 -165.30366 -158.65238 6.65127 2.47685 -159.33587 748.10351
3525.0000 -166.71121 -160.14479 6.56642 2.46870 -159.47176 760.39259
3530.0000 -167.01846 -160.16475 6.85371 2.46300 -159.56659 758.38936
3535.0000 -167.21633 -160.73720 6.47913 2.37979 -160.95291 721.30121
3540.0000 -167.28182 -161.43454 5.84728 2.36594 -161.18373 713.73410
3545.0000 -167.87846 -160.90424 6.97422 2.34933 -161.46031 701.82034
3550.0000 -167.47528 -160.67732 6.79796 2.38856 -160.80686 729.86496
3555.0000 -165.97753 -158.74805 7.22948 2.47793 -159.31785 801.13189
3560.0000 -166.26946 -159.34356 6.92590 2.48526 -159.19572 787.38786
3565.0000 -166.86919 -159.31688 7.55231 2.50966 -158.78931 777.71162
3570.0000 -165.78310 -159.41112 6.37198 2.48020 -159.28006 758.28200
3575.0000 -165.16519 -157.37922 7.78596 2.51360 -158.72370 798.03418
3580.0000 -165.32687 -158.07717 7.24970 2.52942 -158.46004 819.20994
3585.0000 -165.64122 -160.40256 5.23865 2.52035 -158.61122 791.90687
3590.0000 -166.79730 -158.38507 8.41224 2.48247 -159.24228 776.07293
3595.0000 -165.20898 -159.23316 5.97582 2.49407 -159.04902 783.05678
3600.0000 -166.61753 -158.88604 7.73149 2.48176 -159.25407 756.84276
3605.0000 -165.18652 -158.88250 6.30402 2.46455 -159.54076 750.98735
3610.0000 -166.92221 -160.22283 6.69938 2.46267 -159.57211 800.48179
3615.0000 -166.47561 -159.93259 6.54302 2.43053 -160.10752 748.92185
3620.0000 -166.53427 -160.12646 6.40781 2.44985 -159.78576 761.30436
3625.0000 -166.56480 -158.39349 8.17131 2.50776 -158.82100 835.61289
3630.0000 -167.69904 -160.20576 7.49328 2.49004 -159.11621 809.21532
3635.0000 -167.13298 -159.58969 7.54329 2.44837 -159.81044 750.18130
3640.0000 -165.83099 -159.81702 6.01398 2.44171 -159.92136 755.22611
3645.0000 -167.64120 -161.56465 6.07655 2.43038 -160.11003 753.47144
3650.0000 -167.27263 -161.28930 5.98333 2.36819 -161.14617 715.08734
3655.0000 -166.48849 -159.04205 7.44644 2.44820 -159.81318 753.97217
3660.0000 -167.48018 -161.48967 5.99052 2.41008 -160.44831 714.60481
3665.0000 -166.19501 -159.90063 6.29437 2.40827 -160.47848 730.91445
3670.0000 -165.81128 -158.82569 6.98558 2.48254 -159.24113 756.29327
3675.0000 -166.82757 -161.00102 5.82656 2.43605 -160.01563 738.47811
3680.0000 -166.66704 -159.80152 6.86551 2.43660 -160.00644 767.10867
3685.0000 -166.56866 -158.86951 7.69915 2.48527 -159.19555 795.98557
3690.0000 -165.38203 -159.40989 5.97214 2.47295 -159.40080 774.78583
3695.0000 -166.92580 -160.46593 6.45987 2.43940 -159.95984 752.44653
3700.0000 -166.32152 -159.01423 7.30729 2.46943 -159.45947 787.09962
3705.0000 -166.48801 -160.24309 6.24493 2.44923 -159.79610 764.44983
3710.0000 -166.69608 -159.96557 6.73051 2.40538 -160.52662 706.41100
3715.0000 -166.69252 -160.17388 6.51864 2.42795 -160.15062 759.49243
3720.0000 -167.86592 -161.19271 6.67321 2.38724 -160.82876 738.75865
3725.0000 -166.09490 -160.26748 5.82742 2.34691 -161.50068 693.83221
3730.0000 -166.46165 -160.64577 5.81588 2.43427 -160.04521 717.00623
3735.0000 -168.37472 -161.87568 6.49904 2.35977 -161.28648 692.50376
3740.0000 -166.68792 -160.91220 5.77572 2.34875 -161.47011 696.56567
3745.0000 -167.16152 -160.57724 6.58428 2.40051 -160.60768 723.57381
3750.0000 -167.04127 -160.60282 6.43845 2.38241 -160.90920 712.76862
FREEZING PROCESS: loop number 16 T-loop= 744.00000000000000
main_MD> interactions number 16 at Temperature= 744.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80899 1.26031 -3.82057
force_rgl> df(natom) 0.83655 0.48666 1.46515
3755.0000 -166.53365 -159.94433 6.58932 2.40670 -160.50465 719.75053
3760.0000 -167.10589 -161.99429 5.11160 2.34680 -161.50248 671.22244
3765.0000 -166.58178 -160.73001 5.85177 2.35921 -161.29578 713.16723
3770.0000 -166.37747 -160.08894 6.28852 2.42068 -160.27176 720.78785
3775.0000 -165.13422 -157.68932 7.44490 2.53754 -158.32489 799.48586
3780.0000 -166.43710 -159.19845 7.23865 2.49728 -158.99563 775.17678
3785.0000 -166.36290 -159.09321 7.26969 2.47188 -159.41866 781.76184
3790.0000 -166.24274 -159.40897 6.83378 2.46266 -159.57238 753.48913
3795.0000 -166.76041 -160.23292 6.52749 2.46361 -159.55646 760.55944
3800.0000 -167.46793 -159.67430 7.79363 2.45509 -159.69841 785.56240
3805.0000 -166.29553 -160.36045 5.93508 2.42022 -160.27927 719.35405
3810.0000 -165.41878 -159.00051 6.41828 2.45708 -159.66535 749.85104
3815.0000 -165.87911 -159.24416 6.63495 2.42834 -160.14403 749.65670
3820.0000 -165.97232 -158.06625 7.90607 2.52102 -158.60006 808.39317
3825.0000 -166.18654 -160.08279 6.10375 2.48811 -159.14829 786.29366
3830.0000 -166.36775 -160.53786 5.82989 2.45033 -159.77769 752.57323
3835.0000 -167.98039 -161.92231 6.05809 2.38065 -160.93865 714.17851
3840.0000 -168.35306 -162.34538 6.00767 2.31996 -161.94961 691.20179
3845.0000 -167.28675 -160.75710 6.52965 2.30699 -162.16579 653.01210
3850.0000 -166.98859 -160.83849 6.15009 2.41975 -160.28719 746.08992
3855.0000 -166.62228 -159.58367 7.03861 2.41591 -160.35119 750.00092
3860.0000 -164.59561 -157.58053 7.01509 2.51462 -158.70674 791.80381
3865.0000 -167.12558 -159.53632 7.58927 2.50243 -158.90967 790.60812
3870.0000 -167.71236 -160.11362 7.59875 2.40719 -160.49643 720.39958
3875.0000 -165.67410 -159.39554 6.27855 2.43963 -159.95598 758.01971
3880.0000 -166.51443 -158.70083 7.81360 2.46887 -159.46880 780.94039
3885.0000 -166.64944 -160.30586 6.34358 2.47510 -159.36505 789.98927
3890.0000 -166.19806 -158.88386 7.31420 2.47151 -159.42492 781.00610
3895.0000 -165.55725 -158.20647 7.35078 2.50320 -158.89691 794.92021
3900.0000 -166.97606 -160.93180 6.04426 2.44913 -159.79770 752.61566
3905.0000 -167.39528 -160.72387 6.67140 2.36623 -161.17885 680.73550
3910.0000 -166.49817 -160.19828 6.29989 2.42390 -160.21802 720.06760
3915.0000 -165.67168 -158.34527 7.32641 2.50595 -158.85109 803.88025
3920.0000 -166.73392 -159.10285 7.63107 2.46885 -159.46918 789.49976
3925.0000 -166.29181 -159.06482 7.22699 2.45066 -159.77220 746.61586
3930.0000 -165.81786 -159.91654 5.90132 2.46081 -159.60312 760.72792
3935.0000 -165.81389 -159.58960 6.22429 2.45739 -159.66003 774.18497
3940.0000 -167.16740 -160.29489 6.87251 2.46626 -159.51240 767.47955
3945.0000 -165.96218 -159.80687 6.15530 2.44270 -159.90487 746.26618
3950.0000 -166.73486 -159.71336 7.02149 2.47554 -159.35773 775.39975
3955.0000 -167.65398 -160.96268 6.69131 2.39624 -160.67887 741.88078
3960.0000 -167.07443 -161.09535 5.97908 2.35801 -161.31582 708.54673
3965.0000 -166.44664 -160.98423 5.46241 2.35782 -161.31900 681.81843
3970.0000 -166.95191 -160.08256 6.86934 2.40148 -160.59155 703.16395
3975.0000 -167.46093 -160.15566 7.30527 2.38738 -160.82645 709.79356
3980.0000 -165.32849 -159.71215 5.61635 2.43020 -160.11312 742.68151
3985.0000 -165.67804 -159.05983 6.61820 2.48243 -159.24287 740.45528
3990.0000 -167.64914 -161.20934 6.43980 2.39833 -160.64406 717.39292
3995.0000 -166.13150 -160.32878 5.80272 2.41910 -160.29810 749.39934
4000.0000 -165.93593 -160.06809 5.86784 2.43280 -160.06972 752.79154
FREEZING PROCESS: loop number 17 T-loop= 719.00000000000000
main_MD> interactions number 17 at Temperature= 719.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56363 -2.99793 3.62209
force_rgl> df(natom) 2.50922 1.12958 -0.43598
4005.0000 -165.55237 -159.80170 5.75067 2.43536 -160.02705 715.95949
4010.0000 -166.01478 -159.54635 6.46843 2.48137 -159.26053 758.57507
4015.0000 -166.63360 -160.98684 5.64676 2.45083 -159.76938 766.64400
4020.0000 -167.10654 -160.07379 7.03275 2.44437 -159.87695 738.19932
4025.0000 -166.35228 -158.82449 7.52779 2.50783 -158.81974 812.60997
4030.0000 -167.03725 -160.89847 6.13879 2.43889 -159.96836 756.91981
4035.0000 -167.62235 -162.14123 5.48113 2.35075 -161.43664 694.68671
4040.0000 -169.76203 -163.34269 6.41935 2.28036 -162.60948 649.13920
4045.0000 -168.22854 -162.67260 5.55594 2.27015 -162.77947 668.25702
4050.0000 -166.90427 -160.90228 6.00199 2.36446 -161.20831 724.82633
4055.0000 -167.81043 -160.72227 7.08816 2.41813 -160.31414 739.37162
4060.0000 -168.29604 -161.53024 6.76580 2.47353 -159.39119 802.70370
4065.0000 -166.15440 -159.41152 6.74287 2.42448 -160.20838 756.93303
4070.0000 -168.31236 -161.78739 6.52497 2.40335 -160.56045 750.26889
4075.0000 -167.40457 -160.28788 7.11669 2.35152 -161.42382 689.62695
4080.0000 -166.84957 -160.46541 6.38415 2.37193 -161.08380 722.43646
4085.0000 -166.80945 -160.85542 5.95403 2.41558 -160.35660 739.11112
4090.0000 -166.85401 -160.54909 6.30492 2.35503 -161.36545 668.40538
4095.0000 -166.09335 -160.88267 5.21067 2.40907 -160.46506 717.10828
4100.0000 -166.89764 -160.20663 6.69101 2.39479 -160.70305 713.61524
4105.0000 -167.10730 -161.36280 5.74451 2.42116 -160.26375 744.35940
4110.0000 -167.55469 -161.74224 5.81245 2.39741 -160.65931 719.87163
4115.0000 -166.80012 -161.05687 5.74325 2.34093 -161.60031 683.46876
4120.0000 -166.79460 -160.54703 6.24757 2.38719 -160.82960 713.63940
4125.0000 -166.66403 -160.30663 6.35741 2.43144 -160.09235 751.85400
4130.0000 -167.91518 -161.44009 6.47509 2.36079 -161.26941 711.37357
4135.0000 -167.35395 -161.39493 5.95902 2.35737 -161.32650 728.99157
4140.0000 -166.74158 -160.27941 6.46217 2.37737 -160.99315 675.18955
4145.0000 -167.01762 -161.87630 5.14132 2.39638 -160.67660 728.32174
4150.0000 -167.59087 -161.55307 6.03780 2.31341 -162.05873 659.29906
4155.0000 -167.64493 -160.76099 6.88393 2.39313 -160.73059 724.07906
4160.0000 -166.33979 -160.83024 5.50954 2.35194 -161.41681 690.48581
4165.0000 -168.02117 -161.81605 6.20512 2.35914 -161.29700 678.00349
4170.0000 -168.42939 -162.76255 5.66684 2.32053 -161.94017 670.60892
4175.0000 -167.40175 -161.00003 6.40171 2.33670 -161.67078 688.46931
4180.0000 -165.97830 -159.93670 6.04160 2.41808 -160.31497 701.30962
4185.0000 -164.93723 -158.67739 6.25984 2.47663 -159.33950 763.66823
4190.0000 -167.64082 -162.28202 5.35880 2.37957 -160.95662 707.06723
4195.0000 -168.17056 -162.41927 5.75128 2.33694 -161.66687 683.25030
4200.0000 -167.19794 -160.19545 7.00249 2.35955 -161.29003 706.18386
4205.0000 -165.68390 -159.44555 6.23836 2.48249 -159.24188 765.25263
4210.0000 -167.58027 -160.93145 6.64882 2.42567 -160.18858 750.27760
4215.0000 -168.33083 -162.44369 5.88714 2.31666 -162.00474 694.08094
4220.0000 -166.53016 -160.79343 5.73673 2.28586 -162.51781 657.24789
4225.0000 -167.64221 -161.45643 6.18578 2.33135 -161.75994 699.52740
4230.0000 -168.41083 -161.51943 6.89140 2.34430 -161.54420 687.85411
4235.0000 -167.19965 -159.84617 7.35348 2.36087 -161.26805 710.54703
4240.0000 -167.12631 -160.54694 6.57937 2.43632 -160.01113 749.79068
4245.0000 -167.57197 -161.65867 5.91330 2.36397 -161.21652 691.76999
4250.0000 -166.61537 -158.99467 7.62069 2.40721 -160.49607 741.88885
FREEZING PROCESS: loop number 18 T-loop= 694.00000000000000
main_MD> interactions number 18 at Temperature= 694.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65848 2.59283 -3.55433
force_rgl> df(natom) -2.42360 -0.58199 -0.25844
4255.0000 -165.44815 -159.25020 6.19795 2.50388 -158.88557 804.99434
4260.0000 -167.09468 -160.13593 6.95875 2.45418 -159.71353 752.65831
4265.0000 -167.57995 -160.93152 6.64843 2.43276 -160.07050 760.27955
4270.0000 -167.18009 -161.92627 5.25382 2.36164 -161.25534 733.39854
4275.0000 -166.63304 -160.13868 6.49437 2.37483 -161.03561 691.98157
4280.0000 -167.44723 -161.35708 6.09015 2.40844 -160.47556 721.28279
4285.0000 -167.51186 -161.36164 6.15021 2.31747 -161.99111 691.04269
4290.0000 -167.31650 -160.88257 6.43392 2.35637 -161.34305 696.62354
4295.0000 -167.02402 -160.94166 6.08236 2.39463 -160.70575 724.03743
4300.0000 -166.39570 -160.38008 6.01562 2.38723 -160.82898 712.62647
4305.0000 -168.29971 -161.29699 7.00272 2.41054 -160.44057 723.89313
4310.0000 -166.52265 -159.48446 7.03819 2.42930 -160.12809 742.41540
4315.0000 -166.66325 -160.13664 6.52660 2.43262 -160.07273 738.72206
4320.0000 -167.21086 -160.95526 6.25560 2.44573 -159.85444 730.93894
4325.0000 -166.35398 -159.26108 7.09291 2.43787 -159.98529 720.72037
4330.0000 -165.89521 -159.44110 6.45411 2.46097 -159.60044 742.77976
4335.0000 -166.10536 -160.40162 5.70373 2.42828 -160.14510 717.58915
4340.0000 -167.88656 -162.65141 5.23516 2.33820 -161.64578 675.77616
4345.0000 -167.28254 -162.46814 4.81440 2.29371 -162.38699 618.22362
4350.0000 -166.88924 -160.44919 6.44005 2.36057 -161.27304 705.88798
4355.0000 -166.52629 -159.40455 7.12173 2.42223 -160.24580 763.85283
4360.0000 -168.05818 -160.19563 7.86255 2.43174 -160.08744 746.95863
4365.0000 -167.31169 -161.63033 5.68136 2.39228 -160.74482 718.67168
4370.0000 -166.76273 -160.73706 6.02566 2.35107 -161.43146 686.18986
4375.0000 -167.76771 -160.84460 6.92311 2.36010 -161.28095 688.63867
4380.0000 -166.81343 -160.79863 6.01480 2.40203 -160.58242 719.19265
4385.0000 -167.73372 -161.17665 6.55707 2.37757 -160.98996 707.24291
4390.0000 -168.88112 -162.41982 6.46129 2.33556 -161.68976 681.63025
4395.0000 -167.13318 -160.05211 7.08106 2.36011 -161.28077 709.81819
4400.0000 -167.49357 -160.81548 6.67809 2.37302 -161.06567 705.27311
4405.0000 -166.37482 -160.48845 5.88637 2.33532 -161.69381 671.87370
4410.0000 -166.30300 -160.68008 5.62292 2.37077 -161.10324 714.87967
4415.0000 -168.14812 -161.91894 6.22918 2.35828 -161.31124 697.97521
4420.0000 -166.74626 -159.93567 6.81058 2.39408 -160.71489 707.87263
4425.0000 -168.00874 -160.94872 7.06002 2.44566 -159.85557 751.02746
4430.0000 -168.60227 -162.20926 6.39301 2.34835 -161.47664 680.14975
4435.0000 -166.50913 -160.74558 5.76356 2.37163 -161.08882 723.31368
4440.0000 -167.12504 -159.83874 7.28630 2.39348 -160.72479 713.59874
4445.0000 -167.54119 -160.81582 6.72537 2.47645 -159.34263 764.61347
4450.0000 -167.16743 -160.88501 6.28242 2.37130 -161.09442 700.67456
4455.0000 -168.13085 -162.87774 5.25311 2.34852 -161.47394 709.32580
4460.0000 -168.51806 -162.81691 5.70115 2.26900 -162.79868 638.81548
4465.0000 -168.55852 -162.66372 5.89480 2.30913 -162.13017 656.48751
4470.0000 -168.03500 -162.19111 5.84390 2.30611 -162.18045 673.83039
4475.0000 -168.39373 -161.86497 6.52877 2.31866 -161.97141 664.95081
4480.0000 -166.76873 -159.84213 6.92660 2.37090 -161.10095 704.50708
4485.0000 -165.95766 -159.42637 6.53130 2.43339 -160.06001 751.38068
4490.0000 -169.00093 -163.08867 5.91226 2.36647 -161.17486 690.12541
4495.0000 -167.90980 -162.23172 5.67808 2.29646 -162.34124 651.86077
4500.0000 -168.11818 -161.79157 6.32661 2.28497 -162.53257 651.00524
FREEZING PROCESS: loop number 19 T-loop= 669.00000000000000
main_MD> interactions number 19 at Temperature= 669.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58328 1.13046 -1.47107
force_rgl> df(natom) -2.66795 3.01168 -1.58724
4505.0000 -167.53373 -161.44231 6.09142 2.32627 -161.84461 671.77270
4510.0000 -165.59192 -159.88181 5.71010 2.40919 -160.46316 715.30533
4515.0000 -167.42971 -160.39949 7.03022 2.45812 -159.64801 756.15266
4520.0000 -167.81571 -161.30854 6.50717 2.40199 -160.58303 722.71389
4525.0000 -168.42589 -162.63023 5.79566 2.32506 -161.86465 680.36866
4530.0000 -168.38330 -162.52915 5.85415 2.28071 -162.60358 673.55006
4535.0000 -167.42553 -161.73690 5.68862 2.31131 -162.09385 672.11244
4540.0000 -168.38378 -162.71650 5.66729 2.29988 -162.28423 665.06181
4545.0000 -167.24939 -160.72754 6.52185 2.31599 -162.01574 678.63756
4550.0000 -168.08074 -162.90801 5.17272 2.30761 -162.15546 660.84774
4555.0000 -168.89522 -163.36791 5.52731 2.24888 -163.13387 609.77982
4560.0000 -167.59258 -162.75078 4.84179 2.27701 -162.66528 638.33794
4565.0000 -166.75147 -161.05094 5.70053 2.29359 -162.38898 624.61839
4570.0000 -167.94280 -162.18166 5.76115 2.30857 -162.13948 670.76911
4575.0000 -168.14920 -161.18129 6.96790 2.29207 -162.41424 654.67595
4580.0000 -168.01842 -161.95786 6.06056 2.31477 -162.03616 664.51926
4585.0000 -167.77818 -161.89152 5.88666 2.34442 -161.54212 678.89145
4590.0000 -167.36052 -161.83814 5.52238 2.31823 -161.97844 678.59962
4595.0000 -168.37916 -162.91271 5.46645 2.28702 -162.49853 642.79152
4600.0000 -169.29314 -163.55197 5.74117 2.25426 -163.04431 625.80933
4605.0000 -168.09398 -162.69502 5.39896 2.29280 -162.40217 646.70116
4610.0000 -167.62242 -161.74737 5.87505 2.30147 -162.25773 678.93924
4615.0000 -168.49406 -162.33602 6.15805 2.33139 -161.75921 674.65762
4620.0000 -168.44014 -163.32353 5.11661 2.26602 -162.84831 621.24972
4625.0000 -168.85689 -163.50984 5.34705 2.22270 -163.57005 611.16425
4630.0000 -168.59644 -163.12509 5.47135 2.24723 -163.16136 631.91721
4635.0000 -168.16238 -162.04309 6.11929 2.28974 -162.45312 654.89348
4640.0000 -167.98095 -161.95503 6.02592 2.32864 -161.80509 645.84088
4645.0000 -168.67871 -163.03460 5.64412 2.28867 -162.47102 663.49791
4650.0000 -168.33567 -162.05247 6.28321 2.30676 -162.16960 671.85203
4655.0000 -167.60498 -162.68427 4.92071 2.29945 -162.29130 662.27500
4660.0000 -170.20422 -163.74672 6.45750 2.26734 -162.82626 626.58117
4665.0000 -168.46522 -162.87975 5.58547 2.24018 -163.27873 619.35185
4670.0000 -168.10127 -162.91348 5.18779 2.29545 -162.35803 674.85689
4675.0000 -168.87626 -161.81593 7.06033 2.26458 -162.87228 652.89080
4680.0000 -166.87111 -161.21319 5.65792 2.35626 -161.34487 736.50031
4685.0000 -167.45571 -161.40276 6.05295 2.37277 -161.06991 721.58728
4690.0000 -168.06581 -162.36625 5.69956 2.33561 -161.68888 694.21016
4695.0000 -167.83277 -162.13834 5.69443 2.27796 -162.64933 659.76517
4700.0000 -167.20259 -161.67064 5.53194 2.33472 -161.70381 684.98280
4705.0000 -167.44945 -161.42000 6.02945 2.34963 -161.45533 687.33831
4710.0000 -167.16408 -161.34820 5.81589 2.32324 -161.89496 688.30169
4715.0000 -169.03165 -162.93736 6.09429 2.30106 -162.26455 681.25999
4720.0000 -168.38872 -162.13351 6.25520 2.29346 -162.39118 653.44115
4725.0000 -167.07562 -160.71601 6.35961 2.35799 -161.31608 705.79980
4730.0000 -168.17315 -161.92793 6.24523 2.36655 -161.17352 704.55991
4735.0000 -167.91233 -162.32884 5.58349 2.30155 -162.25641 650.69057
4740.0000 -167.75649 -162.90321 4.85328 2.33341 -161.72564 664.78162
4745.0000 -167.30222 -161.08048 6.22174 2.34739 -161.49276 697.13773
4750.0000 -168.38931 -162.62446 5.76486 2.31758 -161.98928 671.56412
FREEZING PROCESS: loop number 20 T-loop= 644.00000000000000
main_MD> interactions number 20 at Temperature= 644.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.41087 0.45699 1.88072
force_rgl> df(natom) -0.67725 -0.23040 1.21194
4755.0000 -169.61622 -164.24247 5.37375 2.22095 -163.59914 612.66782
4760.0000 -168.93977 -163.97776 4.96201 2.24170 -163.25345 664.49569
4765.0000 -169.84373 -164.03397 5.80977 2.19718 -163.99519 606.64698
4770.0000 -168.03997 -163.36668 4.67329 2.17969 -164.28655 588.45814
4775.0000 -167.17047 -161.73943 5.43105 2.30340 -162.22556 663.08283
4780.0000 -168.97875 -162.68939 6.28937 2.32614 -161.84669 678.35598
4785.0000 -169.60026 -163.38115 6.21911 2.25206 -163.08084 657.19819
4790.0000 -169.34633 -163.01429 6.33205 2.23414 -163.37936 625.26387
4795.0000 -167.94090 -162.51127 5.42963 2.29200 -162.41544 658.27744
4800.0000 -168.76065 -163.67700 5.08365 2.24676 -163.16917 625.36192
4805.0000 -168.16539 -163.03715 5.12824 2.24063 -163.27124 606.29249
4810.0000 -168.67167 -162.88504 5.78663 2.28352 -162.55679 632.90572
4815.0000 -168.07960 -161.98346 6.09615 2.27419 -162.71212 634.46738
4820.0000 -167.66053 -162.02998 5.63055 2.32281 -161.90222 653.52022
4825.0000 -167.80606 -162.71293 5.09313 2.29939 -162.29244 659.03476
4830.0000 -169.17944 -164.21915 4.96029 2.20694 -163.83256 563.71822
4835.0000 -169.03697 -163.12170 5.91528 2.22465 -163.53747 609.05113
4840.0000 -169.09201 -163.27246 5.81955 2.25945 -162.95773 637.70758
4845.0000 -167.94548 -162.09532 5.85016 2.30270 -162.23723 662.76443
4850.0000 -169.48417 -164.14167 5.34250 2.25880 -162.96865 639.42454
4855.0000 -168.59626 -162.40372 6.19254 2.27405 -162.71455 634.76681
4860.0000 -168.51269 -162.34145 6.17124 2.34413 -161.54704 691.87368
4865.0000 -169.17059 -163.25846 5.91213 2.28505 -162.53128 643.23275
4870.0000 -168.21205 -162.82823 5.38383 2.23952 -163.28976 621.30150
4875.0000 -168.14437 -163.55853 4.58584 2.25079 -163.10205 633.52435
4880.0000 -169.90814 -165.07245 4.83569 2.18226 -164.24372 594.12708
4885.0000 -170.00484 -164.89748 5.10737 2.17147 -164.42357 594.61617
4890.0000 -170.39723 -165.36384 5.03340 2.14163 -164.92064 581.23851
4895.0000 -169.13991 -163.37514 5.76478 2.18617 -164.17866 626.27411
4900.0000 -168.95916 -163.38193 5.57723 2.20042 -163.94123 606.76196
4905.0000 -169.92059 -164.98419 4.93640 2.16661 -164.50452 592.67841
4910.0000 -169.38034 -164.60075 4.77959 2.15536 -164.69194 559.22120
4915.0000 -168.71498 -163.56864 5.14634 2.23204 -163.41441 621.42280
4920.0000 -169.25811 -163.68748 5.57063 2.23789 -163.31703 613.86875
4925.0000 -169.93456 -163.98668 5.94788 2.19872 -163.96944 604.90223
4930.0000 -169.32746 -163.95393 5.37354 2.18522 -164.19449 593.16719
4935.0000 -170.13234 -165.39258 4.73976 2.15536 -164.69195 578.68957
4940.0000 -170.41037 -165.15198 5.25838 2.14528 -164.85990 588.90624
4945.0000 -170.99425 -165.16389 5.83036 2.08823 -165.81035 549.54902
4950.0000 -169.88228 -164.53581 5.34647 2.14658 -164.83813 583.36465
4955.0000 -169.41284 -164.24590 5.16694 2.20029 -163.94341 625.46559
4960.0000 -169.17951 -164.28355 4.89597 2.19357 -164.05526 598.66205
4965.0000 -169.30146 -164.56134 4.74012 2.21695 -163.66580 609.61928
4970.0000 -170.14934 -164.36937 5.77996 2.15763 -164.65407 557.04054
4975.0000 -169.18690 -163.56564 5.62126 2.22076 -163.60229 605.50531
4980.0000 -168.05193 -162.52234 5.52959 2.29420 -162.37892 686.89840
4985.0000 -168.39389 -162.89962 5.49428 2.26523 -162.86144 612.84913
4990.0000 -169.45774 -162.93056 6.52717 2.29668 -162.33750 665.11210
4995.0000 -169.19657 -164.06890 5.12767 2.27525 -162.69449 639.10510
5000.0000 -169.90337 -165.23258 4.67079 2.17398 -164.38171 580.64429
FREEZING PROCESS: loop number 21 T-loop= 619.00000000000000
main_MD> interactions number 21 at Temperature= 619.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.24593 2.36262 -2.32010
force_rgl> df(natom) 3.13953 0.64790 -1.19111
5005.0000 -169.74572 -164.86457 4.88116 2.10443 -165.54035 534.06914
5010.0000 -168.97614 -163.56558 5.41056 2.20232 -163.90960 602.96267
5015.0000 -169.05946 -163.24574 5.81373 2.24842 -163.14149 642.66034
5020.0000 -167.94062 -162.71269 5.22793 2.24783 -163.15140 622.32454
5025.0000 -169.62774 -164.07946 5.54828 2.24786 -163.15087 616.86194
5030.0000 -168.35464 -163.00225 5.35239 2.23850 -163.30675 623.65589
5035.0000 -169.15159 -163.11679 6.03479 2.23695 -163.33260 614.81543
5040.0000 -169.83830 -164.69683 5.14148 2.18533 -164.19266 602.97255
5045.0000 -168.83080 -163.50887 5.32193 2.20211 -163.91307 616.86494
5050.0000 -168.27447 -163.26410 5.01037 2.22996 -163.44911 602.32686
5055.0000 -169.81605 -164.16912 5.64693 2.22564 -163.52100 624.31384
5060.0000 -167.68594 -162.73852 4.94742 2.24497 -163.19905 608.93159
5065.0000 -166.55252 -160.74697 5.80555 2.36000 -161.28270 687.29367
5070.0000 -169.28426 -163.41854 5.86572 2.31661 -162.00555 668.98328
5075.0000 -169.23336 -162.86673 6.36663 2.23760 -163.32182 641.12203
5080.0000 -168.59548 -162.58487 6.01061 2.25444 -163.04126 641.51503
5085.0000 -168.73813 -163.81232 4.92581 2.23612 -163.34638 629.60047
5090.0000 -169.73998 -164.69720 5.04278 2.20016 -163.94557 591.63788
5095.0000 -169.19291 -163.57569 5.61722 2.19426 -164.04376 604.84222
5100.0000 -168.83829 -163.23928 5.59901 2.24013 -163.27957 628.17789
5105.0000 -169.03988 -163.95830 5.08158 2.25521 -163.02834 629.39336
5110.0000 -169.13072 -163.79488 5.33584 2.19244 -164.07407 568.26341
5115.0000 -169.34649 -162.92816 6.41833 2.23724 -163.32786 596.68879
5120.0000 -166.86487 -161.33163 5.53324 2.33996 -161.61655 688.46576
5125.0000 -168.85123 -163.65100 5.20023 2.24387 -163.21737 618.68873
5130.0000 -168.98192 -163.98872 4.99320 2.19357 -164.05540 585.73381
5135.0000 -168.91718 -163.24574 5.67144 2.25325 -163.06107 618.08333
5140.0000 -168.62008 -162.74200 5.87808 2.26251 -162.90675 629.49458
5145.0000 -169.21329 -163.60976 5.60353 2.23662 -163.33812 635.13525
5150.0000 -168.88418 -163.61546 5.26872 2.22912 -163.46312 600.30546
5155.0000 -168.46936 -162.73157 5.73778 2.25125 -163.09433 624.55107
5160.0000 -169.02076 -163.26028 5.76048 2.25420 -163.04530 622.16287
5165.0000 -169.25218 -164.79882 4.45336 2.18635 -164.17567 593.08634
5170.0000 -168.83394 -163.06550 5.76844 2.21302 -163.73137 606.90224
5175.0000 -168.32420 -162.37960 5.94461 2.28620 -162.51212 655.51938
5180.0000 -167.89355 -161.92308 5.97046 2.26889 -162.80053 646.24238
5185.0000 -167.66212 -161.85289 5.80923 2.33264 -161.73837 688.04751
5190.0000 -168.11185 -162.30151 5.81033 2.31418 -162.04591 631.25782
5195.0000 -168.26005 -163.17200 5.08805 2.27499 -162.69893 608.09758
5200.0000 -168.58748 -161.96643 6.62106 2.28855 -162.47294 649.68279
5205.0000 -168.51364 -163.84525 4.66839 2.26113 -162.92972 622.00381
5210.0000 -168.81254 -162.52246 6.29008 2.20435 -163.87571 579.92813
5215.0000 -168.34081 -162.85132 5.48949 2.28583 -162.51824 659.27875
5220.0000 -169.30644 -163.81865 5.48779 2.24249 -163.24040 620.31175
5225.0000 -170.27635 -164.65755 5.61880 2.17572 -164.35267 566.54997
5230.0000 -168.87006 -163.34083 5.52923 2.19090 -164.09977 594.48824
5235.0000 -169.24444 -163.83117 5.41327 2.23029 -163.44355 605.83700
5240.0000 -169.25433 -163.24312 6.01121 2.18508 -164.19682 583.68548
5245.0000 -168.77085 -163.59314 5.17771 2.20444 -163.87425 583.03603
5250.0000 -168.53379 -162.97189 5.56190 2.23159 -163.42189 611.29261
FREEZING PROCESS: loop number 22 T-loop= 594.00000000000000
main_MD> interactions number 22 at Temperature= 594.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64936 0.13183 -0.13149
force_rgl> df(natom) 2.35767 4.84612 0.03914
5255.0000 -169.04606 -163.99782 5.04824 2.21579 -163.68512 601.17743
5260.0000 -169.67808 -163.87614 5.80193 2.18918 -164.12846 562.36188
5265.0000 -169.78107 -164.92292 4.85815 2.18346 -164.22369 570.93970
5270.0000 -169.15876 -164.29142 4.86735 2.18109 -164.26327 550.49460
5275.0000 -169.54834 -164.50011 5.04822 2.15530 -164.69289 560.91805
5280.0000 -169.44624 -163.77860 5.66764 2.16076 -164.60198 570.82876
5285.0000 -168.64028 -163.22732 5.41296 2.22484 -163.53436 633.49465
5290.0000 -168.87720 -162.78444 6.09275 2.25625 -163.01115 634.98108
5295.0000 -168.12813 -161.93437 6.19376 2.29212 -162.41349 668.46567
5300.0000 -168.14993 -162.74419 5.40574 2.25672 -163.00324 627.26180
5305.0000 -168.00536 -163.14854 4.85681 2.26407 -162.88078 618.86954
5310.0000 -168.05734 -163.49679 4.56055 2.25793 -162.98307 612.93802
5315.0000 -169.23588 -163.96113 5.27475 2.21530 -163.69331 571.86846
5320.0000 -167.93439 -162.67961 5.25478 2.23229 -163.41032 598.39524
5325.0000 -169.28454 -164.05307 5.23147 2.24515 -163.19599 609.38931
5330.0000 -168.92261 -164.29810 4.62451 2.19315 -164.06224 571.84375
5335.0000 -169.80603 -165.04265 4.76338 2.16197 -164.58174 549.20340
5340.0000 -169.53399 -164.62207 4.91192 2.12891 -165.13263 526.35801
5345.0000 -168.50771 -163.52389 4.98382 2.17395 -164.38219 562.85631
5350.0000 -168.08957 -162.38267 5.70690 2.24068 -163.27047 620.45596
5355.0000 -168.65674 -163.47729 5.17945 2.24319 -163.22858 630.04112
5360.0000 -169.17100 -162.75230 6.41870 2.26158 -162.92233 639.66927
5365.0000 -168.68612 -163.59413 5.09199 2.23884 -163.30118 622.45312
5370.0000 -167.99067 -163.60805 4.38262 2.21177 -163.75205 611.65393
5375.0000 -168.56249 -163.58242 4.98007 2.21763 -163.65456 586.17605
5380.0000 -169.76109 -163.96168 5.79940 2.21523 -163.69443 612.89422
5385.0000 -169.17177 -164.06653 5.10524 2.19204 -164.08089 581.54291
5390.0000 -169.30197 -163.87683 5.42514 2.21632 -163.67636 615.08736
5395.0000 -168.92529 -163.25713 5.66815 2.22751 -163.48987 640.65259
5400.0000 -169.58196 -164.73460 4.84737 2.18747 -164.15700 596.84823
5405.0000 -169.96883 -164.79222 5.17661 2.13039 -165.10790 541.52173
5410.0000 -169.14843 -164.46887 4.67955 2.13656 -165.00517 540.86102
5415.0000 -169.18633 -163.40853 5.77780 2.20982 -163.78452 594.54420
5420.0000 -169.96335 -165.00474 4.95861 2.18061 -164.27118 569.65708
5425.0000 -169.32691 -164.75898 4.56793 2.17574 -164.35237 565.48943
5430.0000 -169.74195 -164.34625 5.39570 2.15973 -164.61903 564.92999
5435.0000 -168.91253 -163.97205 4.94048 2.20724 -163.82751 605.48915
5440.0000 -168.66090 -164.29399 4.36691 2.18693 -164.16588 590.68808
5445.0000 -169.61924 -163.08472 6.53452 2.21213 -163.74606 596.75501
5450.0000 -169.97196 -164.61466 5.35731 2.19155 -164.08904 605.40648
5455.0000 -169.15536 -164.19926 4.95610 2.18521 -164.19460 596.61667
5460.0000 -169.07918 -164.30234 4.77684 2.21122 -163.76134 592.71743
5465.0000 -169.07599 -163.73210 5.34389 2.19763 -163.98765 564.98583
5470.0000 -169.00435 -163.29364 5.71071 2.25123 -163.09466 645.89943
5475.0000 -168.96772 -164.00337 4.96435 2.19373 -164.05267 576.31051
5480.0000 -168.90466 -164.36398 4.54069 2.17155 -164.42217 578.61377
5485.0000 -169.57876 -164.85262 4.72613 2.17245 -164.40722 579.86343
5490.0000 -169.72702 -164.75890 4.96812 2.14470 -164.86955 552.62311
5495.0000 -169.70826 -164.23997 5.46829 2.18525 -164.19398 590.51143
5500.0000 -169.93899 -164.65935 5.27964 2.17990 -164.28309 577.82901
FREEZING PROCESS: loop number 23 T-loop= 569.00000000000000
main_MD> interactions number 23 at Temperature= 569.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25122 -0.32918 0.06071
force_rgl> df(natom) -0.39617 -0.68622 0.20165
5505.0000 -170.42612 -164.99405 5.43207 2.11697 -165.33151 555.28863
5510.0000 -170.93702 -165.94974 4.98729 2.12817 -165.14485 576.69172
5515.0000 -171.02057 -166.08610 4.93447 2.10101 -165.59745 578.06840
5520.0000 -170.57426 -165.35425 5.22001 2.08061 -165.93715 542.07462
5525.0000 -170.29075 -164.82008 5.47066 2.13104 -165.09710 585.02468
5530.0000 -169.39865 -165.41194 3.98671 2.13554 -165.02211 571.04152
5535.0000 -170.47610 -165.57862 4.89748 2.12744 -165.15700 560.50252
5540.0000 -169.80597 -164.77272 5.03325 2.11058 -165.43786 549.17003
5545.0000 -169.80404 -164.14047 5.66357 2.17154 -164.42230 584.30478
5550.0000 -169.90434 -164.52020 5.38414 2.16595 -164.51546 586.57639
5555.0000 -168.07969 -163.04590 5.03379 2.21257 -163.73880 606.10834
5560.0000 -168.69976 -162.64443 6.05533 2.26886 -162.80092 650.79458
5565.0000 -168.47744 -163.97716 4.50028 2.23180 -163.41846 619.09377
5570.0000 -168.92374 -164.32421 4.59952 2.16492 -164.53266 571.12901
5575.0000 -169.92876 -165.40059 4.52816 2.14544 -164.85713 557.23312
5580.0000 -169.37957 -164.26064 5.11893 2.13011 -165.11262 545.43843
5585.0000 -169.38016 -164.96390 4.41625 2.15926 -164.62689 567.50487
5590.0000 -170.18135 -165.03708 5.14427 2.12843 -165.14057 539.50339
5595.0000 -170.17140 -164.69638 5.47501 2.18668 -164.17008 576.31121
5600.0000 -168.72707 -163.32319 5.40388 2.20311 -163.89638 579.52051
5605.0000 -169.84997 -164.95673 4.89325 2.18122 -164.26107 584.32409
5610.0000 -168.18204 -163.16507 5.01697 2.18740 -164.15817 613.59255
5615.0000 -170.41209 -165.39315 5.01894 2.17492 -164.36604 620.87611
5620.0000 -169.09275 -163.35689 5.73586 2.18067 -164.27021 605.96016
5625.0000 -168.79755 -164.18498 4.61257 2.19628 -164.01025 590.86673
5630.0000 -169.45083 -164.07612 5.37471 2.18186 -164.25039 566.14207
5635.0000 -169.12084 -163.59969 5.52114 2.21609 -163.68017 608.65471
5640.0000 -169.66205 -164.81477 4.84729 2.18181 -164.25125 586.90103
5645.0000 -169.13089 -164.58843 4.54246 2.15550 -164.68951 550.27868
5650.0000 -169.08874 -164.08582 5.00293 2.19395 -164.04905 593.65233
5655.0000 -169.08910 -163.90116 5.18794 2.22733 -163.49287 609.54876
5660.0000 -169.23071 -163.60813 5.62259 2.23188 -163.41702 610.45109
5665.0000 -168.29921 -162.08711 6.21210 2.29892 -162.30024 646.58572
5670.0000 -168.51342 -163.32604 5.18739 2.27756 -162.65601 635.20461
5675.0000 -168.70180 -164.01957 4.68223 2.21150 -163.75664 612.60970
5680.0000 -169.39653 -164.65849 4.73805 2.19821 -163.97803 603.70986
5685.0000 -170.85870 -165.78950 5.06921 2.11125 -165.42680 540.64113
5690.0000 -169.51777 -164.17690 5.34087 2.15336 -164.72522 585.94816
5695.0000 -169.95421 -165.10608 4.84813 2.20740 -163.82500 621.10123
5700.0000 -169.49225 -165.21056 4.28169 2.09054 -165.77184 542.99498
5705.0000 -170.17291 -165.74335 4.42957 2.08148 -165.92278 521.86563
5710.0000 -170.33605 -164.54991 5.78614 2.11463 -165.37050 533.81051
5715.0000 -169.55385 -164.87163 4.68222 2.16986 -164.45034 564.65630
5720.0000 -168.67782 -163.28214 5.39567 2.20792 -163.81625 611.05158
5725.0000 -168.93945 -163.93506 5.00439 2.21860 -163.63837 597.25731
5730.0000 -169.39729 -164.04934 5.34795 2.20076 -163.93550 589.12973
5735.0000 -170.04061 -165.19164 4.84896 2.15812 -164.64592 573.14933
5740.0000 -169.12470 -164.37077 4.75393 2.15489 -164.69971 572.72307
5745.0000 -170.51738 -165.29494 5.22244 2.12174 -165.25196 591.99565
5750.0000 -170.67703 -165.64468 5.03234 2.11862 -165.30400 570.12652
FREEZING PROCESS: loop number 24 T-loop= 544.00000000000000
main_MD> interactions number 24 at Temperature= 544.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36921 -2.94264 2.41898
force_rgl> df(natom) 0.26500 1.71565 0.48062
5755.0000 -171.03210 -166.64542 4.38668 2.07307 -166.06289 537.36280
5760.0000 -170.61241 -165.90303 4.70937 2.05790 -166.31550 504.90276
5765.0000 -170.64092 -165.63868 5.00224 2.08783 -165.81693 527.61903
5770.0000 -170.81897 -165.98610 4.83287 2.09167 -165.75293 524.93672
5775.0000 -169.78098 -164.54333 5.23764 2.09772 -165.65225 520.18877
5780.0000 -170.51862 -165.25791 5.26071 2.13020 -165.11106 562.51658
5785.0000 -170.29343 -165.80755 4.48588 2.09900 -165.63091 551.85474
5790.0000 -169.93190 -165.15265 4.77926 2.09975 -165.61835 523.06064
5795.0000 -169.98624 -165.01898 4.96726 2.13838 -164.97471 549.29781
5800.0000 -170.12379 -165.75982 4.36397 2.11274 -165.40201 536.40944
5805.0000 -170.91412 -166.90895 4.00517 2.06652 -166.17196 527.24913
5810.0000 -170.41873 -165.40224 5.01648 2.07588 -166.01609 501.65781
5815.0000 -170.79890 -166.34523 4.45367 2.10820 -165.47762 541.83127
5820.0000 -170.33406 -165.59762 4.73644 2.07707 -165.99622 512.60692
5825.0000 -170.27117 -166.38414 3.88703 2.08509 -165.86260 526.25294
5830.0000 -170.24370 -165.94906 4.29464 2.08891 -165.79901 521.12534
5835.0000 -170.93923 -166.29177 4.64746 2.09459 -165.70425 539.31691
5840.0000 -170.71151 -165.45849 5.25302 2.07964 -165.95334 528.60169
5845.0000 -170.40684 -166.36490 4.04194 2.09441 -165.70739 530.89978
5850.0000 -170.57034 -165.17303 5.39730 2.09714 -165.66182 530.78028
5855.0000 -170.21318 -165.47170 4.74148 2.10843 -165.47368 549.17999
5860.0000 -171.43471 -167.16961 4.26511 2.09567 -165.68629 521.67632
5865.0000 -171.13662 -166.80772 4.32889 2.03040 -166.77376 494.78054
5870.0000 -170.89242 -166.44126 4.45116 2.05182 -166.41690 509.92900
5875.0000 -171.04792 -165.90976 5.13815 2.06452 -166.20520 519.72844
5880.0000 -169.70769 -164.34170 5.36600 2.11380 -165.38435 545.51954
5885.0000 -170.38843 -164.80729 5.58113 2.14387 -164.88333 567.18692
5890.0000 -169.41771 -164.50463 4.91307 2.15596 -164.68199 559.97797
5895.0000 -169.85635 -164.51408 5.34227 2.17225 -164.41048 577.76222
5900.0000 -169.86320 -164.12020 5.74300 2.16762 -164.48765 576.53714
5905.0000 -170.66747 -165.61160 5.05588 2.12980 -165.11774 556.99186
5910.0000 -171.25393 -166.51733 4.73660 2.07708 -165.99606 507.22508
5915.0000 -170.86432 -166.34548 4.51883 2.03999 -166.61400 498.25349
5920.0000 -170.92616 -166.13086 4.79530 2.06368 -166.21924 539.70189
5925.0000 -170.72808 -166.54655 4.18153 2.06511 -166.19539 543.11975
5930.0000 -171.97178 -167.09068 4.88110 2.04527 -166.52607 519.55337
5935.0000 -170.18307 -165.59036 4.59271 2.07770 -165.98575 524.67419
5940.0000 -170.02952 -165.31745 4.71208 2.11072 -165.43558 555.68260
5945.0000 -169.63967 -164.64365 4.99602 2.12080 -165.26765 545.81503
5950.0000 -170.78209 -165.16833 5.61376 2.12310 -165.22940 562.00197
5955.0000 -170.00820 -165.40632 4.60188 2.12589 -165.18287 551.88326
5960.0000 -169.84378 -165.14118 4.70260 2.14548 -164.85645 577.82221
5965.0000 -170.69067 -165.95716 4.73351 2.13044 -165.10710 570.16724
5970.0000 -170.04589 -165.67258 4.37331 2.09909 -165.62928 547.53272
5975.0000 -170.32706 -165.33387 4.99320 2.11707 -165.32982 577.34139
5980.0000 -170.47456 -165.32696 5.14760 2.14491 -164.86594 592.84018
5985.0000 -171.00463 -165.68352 5.32111 2.10058 -165.60459 546.35235
5990.0000 -171.18651 -166.41060 4.77590 2.07453 -166.03851 529.31842
5995.0000 -170.83818 -165.90889 4.92930 2.09013 -165.77855 541.04325
6000.0000 -169.92051 -165.22650 4.69401 2.09878 -165.63444 562.89175
FREEZING PROCESS: loop number 25 T-loop= 519.00000000000000
main_MD> interactions number 25 at Temperature= 519.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25415 -0.06853 -0.90269
force_rgl> df(natom) -1.86923 0.98383 -0.43071
6005.0000 -171.73285 -165.94524 5.78761 2.07148 -166.08938 556.76111
6010.0000 -171.65539 -167.43551 4.21988 2.02641 -166.84013 509.78355
6015.0000 -172.44855 -167.91615 4.53240 1.98260 -167.57010 471.41501
6020.0000 -171.72179 -168.04287 3.67892 1.98776 -167.48408 471.68628
6025.0000 -170.99159 -166.73073 4.26086 2.01020 -167.11026 500.55197
6030.0000 -169.80557 -165.50137 4.30421 2.07436 -166.04128 531.65501
6035.0000 -170.60805 -165.96371 4.64433 2.11717 -165.32809 563.24881
6040.0000 -170.17245 -165.09310 5.07935 2.09620 -165.67745 541.43815
6045.0000 -170.64424 -166.73279 3.91145 2.06294 -166.23160 507.13837
6050.0000 -170.51602 -166.54885 3.96716 2.03053 -166.77151 504.39184
6055.0000 -171.67687 -166.58878 5.08809 2.06906 -166.12967 527.96446
6060.0000 -171.44305 -167.17389 4.26916 2.00757 -167.15407 479.43800
6065.0000 -171.78726 -167.81100 3.97626 1.99683 -167.33308 501.35207
6070.0000 -170.55895 -165.96455 4.59440 2.04024 -166.60973 531.83116
6075.0000 -171.77211 -166.70003 5.07208 2.04789 -166.48235 522.93354
6080.0000 -170.66041 -166.24103 4.41938 2.05419 -166.37741 522.67297
6085.0000 -171.04245 -166.39556 4.64689 2.04073 -166.60165 512.50698
6090.0000 -170.61944 -166.01755 4.60189 2.09419 -165.71107 548.62421
6095.0000 -171.42858 -166.80426 4.62433 2.03471 -166.70191 511.23183
6100.0000 -171.08894 -166.88382 4.20512 2.03115 -166.76130 511.14711
6105.0000 -170.74879 -165.73656 5.01223 2.05002 -166.44678 527.13400
6110.0000 -170.52754 -166.20529 4.32225 2.08573 -165.85199 546.84726
6115.0000 -170.03702 -164.87141 5.16561 2.10552 -165.52228 544.31580
6120.0000 -171.28497 -166.81681 4.46816 2.11985 -165.28355 568.35453
6125.0000 -171.54307 -166.78935 4.75373 2.02608 -166.84570 503.53257
6130.0000 -171.50036 -167.32862 4.17173 2.00883 -167.13309 499.44798
6135.0000 -170.81593 -165.97245 4.84348 2.02026 -166.94258 511.06658
6140.0000 -170.70617 -166.60110 4.10507 2.04499 -166.53058 489.27111
6145.0000 -170.37742 -165.96916 4.40826 2.08555 -165.85496 534.18027
6150.0000 -170.48422 -165.81603 4.66819 2.04871 -166.46875 504.09843
6155.0000 -170.50171 -165.87575 4.62596 2.06521 -166.19375 506.99187
6160.0000 -170.18608 -165.36303 4.82305 2.08983 -165.78362 509.74413
6165.0000 -171.38968 -166.70584 4.68384 2.07746 -165.98973 510.43914
6170.0000 -170.92236 -166.92850 3.99387 2.03426 -166.70938 480.40718
6175.0000 -170.65817 -165.55665 5.10152 2.06458 -166.20422 522.30019
6180.0000 -171.08232 -166.12468 4.95764 2.10701 -165.49742 549.24985
6185.0000 -171.17141 -167.22428 3.94713 2.02908 -166.79575 477.72573
6190.0000 -172.30109 -167.26436 5.03674 2.04138 -166.59086 503.92888
6195.0000 -170.76632 -166.41493 4.35138 2.02425 -166.87617 481.14035
6200.0000 -171.45839 -167.16172 4.29667 2.04178 -166.58411 501.11301
6205.0000 -171.07241 -166.18650 4.88591 2.03689 -166.66565 498.86220
6210.0000 -170.29556 -164.87421 5.42134 2.11220 -165.41097 562.34287
6215.0000 -170.26591 -165.76165 4.50425 2.11716 -165.32835 558.85064
6220.0000 -171.31382 -165.84857 5.46525 2.07877 -165.96782 536.46806
6225.0000 -171.41554 -167.24843 4.16711 2.04747 -166.48941 516.61897
6230.0000 -171.13314 -166.77521 4.35793 2.01828 -166.97569 502.54373
6235.0000 -170.94061 -165.79211 5.14850 2.03214 -166.74474 510.83781
6240.0000 -171.47486 -166.55724 4.91761 2.04784 -166.48318 505.43465
6245.0000 -170.35095 -165.93793 4.41301 2.07877 -165.96791 516.88063
6250.0000 -171.65881 -167.44839 4.21042 2.04364 -166.55321 483.31163
FREEZING PROCESS: loop number 26 T-loop= 494.00000000000000
main_MD> interactions number 26 at Temperature= 494.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.85265 -2.94934 1.10822
force_rgl> df(natom) -3.03227 1.29637 -0.57785
6255.0000 -170.49577 -166.14184 4.35392 2.02014 -166.94462 460.44693
6260.0000 -170.62367 -166.66160 3.96206 2.06664 -166.16991 498.60320
6265.0000 -170.74702 -166.15932 4.58770 2.04085 -166.59963 482.47301
6270.0000 -171.18101 -166.85670 4.32431 2.07486 -166.03296 509.45296
6275.0000 -170.42816 -166.08936 4.33880 2.04750 -166.48887 484.49638
6280.0000 -171.46256 -167.26743 4.19514 2.02443 -166.87321 462.90342
6285.0000 -171.51825 -166.92221 4.59605 2.02447 -166.87260 478.37343
6290.0000 -170.56648 -166.02595 4.54053 2.07174 -166.08507 511.74111
6295.0000 -170.16205 -165.68463 4.47743 2.10566 -165.51998 529.62535
6300.0000 -170.19798 -166.29042 3.90755 2.08211 -165.91219 514.66809
6305.0000 -171.08160 -166.48770 4.59389 2.02752 -166.82169 471.49902
6310.0000 -170.31004 -166.26066 4.04938 2.04492 -166.53185 485.41052
6315.0000 -170.07599 -165.06785 5.00815 2.10710 -165.49591 512.09966
6320.0000 -171.27436 -167.46621 3.80815 2.06607 -166.17952 504.91583
6325.0000 -170.81660 -166.20402 4.61258 2.01448 -167.03889 481.72571
6330.0000 -170.22455 -166.05852 4.16603 2.06615 -166.17818 513.51225
6335.0000 -171.10709 -166.63603 4.47106 2.05478 -166.36754 488.89323
6340.0000 -170.75095 -165.92061 4.83035 2.05370 -166.38549 516.05707
6345.0000 -171.32301 -166.84130 4.48171 2.06210 -166.24565 512.74383
6350.0000 -171.03203 -166.90046 4.13157 2.01239 -167.07372 469.33529
6355.0000 -171.31854 -167.55181 3.76673 1.99403 -167.37960 476.23714
6360.0000 -172.20506 -167.59375 4.61132 1.97922 -167.62641 468.45104
6365.0000 -171.01155 -167.01601 3.99554 2.01782 -166.98337 516.80365
6370.0000 -171.31084 -167.24323 4.06761 2.00078 -167.26718 510.77990
6375.0000 -171.36595 -166.81168 4.55427 2.01966 -166.95266 505.84235
6380.0000 -171.12956 -166.37281 4.75676 2.06174 -166.25166 537.90979
6385.0000 -170.70008 -166.31145 4.38863 2.05840 -166.30730 523.99640
6390.0000 -171.00908 -167.07339 3.93569 2.01797 -166.98075 495.08918
6395.0000 -170.89207 -166.52162 4.37046 1.98276 -167.56747 452.07890
6400.0000 -170.35388 -165.29543 5.05845 2.07011 -166.11221 507.02906
6405.0000 -170.63618 -166.07762 4.55855 2.11452 -165.37226 553.63464
6410.0000 -169.59526 -164.68025 4.91501 2.13536 -165.02512 561.36278
6415.0000 -170.82102 -166.44714 4.37388 2.09646 -165.67315 534.14039
6420.0000 -170.23755 -165.48865 4.74890 2.05608 -166.34596 513.85591
6425.0000 -171.04257 -166.62465 4.41792 2.06503 -166.19681 524.99855
6430.0000 -171.26190 -166.66132 4.60058 2.04021 -166.61036 496.00206
6435.0000 -171.38317 -167.06454 4.31863 2.02932 -166.79177 489.65901
6440.0000 -171.44128 -167.37555 4.06573 2.01321 -167.06004 494.17079
6445.0000 -171.40413 -167.30153 4.10260 1.96704 -167.82924 463.51326
6450.0000 -171.53894 -167.83242 3.70652 1.98592 -167.51469 468.24168
6455.0000 -172.15863 -167.62496 4.53366 1.98970 -167.45176 467.64941
6460.0000 -170.94969 -166.74678 4.20291 2.00372 -167.21820 473.42228
6465.0000 -171.56655 -167.70120 3.86535 1.97481 -167.69984 470.68481
6470.0000 -171.72109 -167.76478 3.95631 1.97406 -167.71229 473.58330
6475.0000 -171.06279 -167.52721 3.53559 1.96588 -167.84859 457.97045
6480.0000 -171.11573 -167.12060 3.99513 1.98304 -167.56282 471.69395
6485.0000 -171.50049 -167.52111 3.97938 2.00614 -167.17782 480.24490
6490.0000 -171.25146 -166.69271 4.55875 1.98787 -167.48234 450.98400
6495.0000 -170.93959 -166.45663 4.48296 2.06537 -166.19117 506.13847
6500.0000 -171.10426 -166.65731 4.44695 2.03855 -166.63787 514.33036
FREEZING PROCESS: loop number 27 T-loop= 469.00000000000000
main_MD> interactions number 27 at Temperature= 469.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03276 2.42438 -2.70875
force_rgl> df(natom) 1.51763 -0.78986 1.50856
6505.0000 -170.13378 -166.43278 3.70100 2.03416 -166.71101 496.23191
6510.0000 -170.66546 -166.99501 3.67045 2.03835 -166.64129 484.97330
6515.0000 -171.27613 -167.12851 4.14762 2.01297 -167.06404 453.00037
6520.0000 -172.04479 -168.33590 3.70889 1.97327 -167.72546 418.34466
6525.0000 -170.80797 -166.84118 3.96679 1.96716 -167.82736 403.90928
6530.0000 -171.35306 -167.10215 4.25090 2.04310 -166.56216 468.12728
6535.0000 -170.98442 -167.33673 3.64769 2.01677 -167.00076 465.58716
6540.0000 -170.80128 -166.76862 4.03266 2.02110 -166.92863 468.47894
6545.0000 -171.06978 -167.07652 3.99326 2.03344 -166.72312 467.59656
6550.0000 -170.67039 -166.43367 4.23672 1.99346 -167.38915 445.35590
6555.0000 -170.99233 -167.31505 3.67728 2.01883 -166.96653 462.57617
6560.0000 -171.74224 -167.75305 3.98919 1.99165 -167.41933 465.06897
6565.0000 -171.43383 -167.59030 3.84353 1.97995 -167.61429 445.21527
6570.0000 -171.51008 -167.13270 4.37739 2.02066 -166.93600 476.69026
6575.0000 -171.40039 -167.86109 3.53931 1.98432 -167.54133 449.90805
6580.0000 -172.32441 -168.25704 4.06737 1.95630 -168.00826 421.01316
6585.0000 -171.90209 -168.13092 3.77118 1.94658 -168.17023 418.62361
6590.0000 -170.54050 -166.79939 3.74111 1.96246 -167.90554 449.73794
6595.0000 -171.23720 -167.07102 4.16618 1.99272 -167.40155 470.97004
6600.0000 -172.34168 -168.00748 4.33420 1.98299 -167.56357 489.71909
6605.0000 -171.32974 -167.86704 3.46270 1.95947 -167.95544 456.78859
6610.0000 -172.61553 -168.51899 4.09654 1.92390 -168.54794 425.57444
6615.0000 -171.99916 -167.68620 4.31296 1.95784 -167.98254 465.14444
6620.0000 -172.34749 -168.32728 4.02022 1.95002 -168.11283 453.75694
6625.0000 -171.80005 -168.05193 3.74812 1.95382 -168.04955 461.83380
6630.0000 -171.82807 -168.11795 3.71013 1.93976 -168.28381 445.24404
6635.0000 -171.57269 -167.64208 3.93061 1.96376 -167.88390 466.51847
6640.0000 -171.99118 -167.21619 4.77498 1.95486 -168.03225 464.17242
6645.0000 -171.61694 -167.70329 3.91365 1.98333 -167.55793 476.80819
6650.0000 -172.38093 -168.56401 3.81692 1.95397 -168.04708 469.34197
6655.0000 -172.54046 -168.17238 4.36808 1.94985 -168.11564 467.51201
6660.0000 -171.30017 -167.15405 4.14612 1.95790 -167.98150 474.74987
6665.0000 -172.09952 -167.98942 4.11010 2.00129 -167.25866 501.61908
6670.0000 -171.84511 -167.79802 4.04709 1.97083 -167.76611 484.99123
6675.0000 -172.58130 -168.43262 4.14868 1.93895 -168.29726 453.29791
6680.0000 -172.34320 -168.77705 3.56615 1.91731 -168.65772 440.90225
6685.0000 -172.72816 -168.61145 4.11670 1.90404 -168.87882 419.34446
6690.0000 -172.92161 -168.85631 4.06530 1.92027 -168.60842 437.98211
6695.0000 -172.38940 -167.93394 4.45546 1.94106 -168.26204 465.38844
6700.0000 -172.15341 -168.56433 3.58908 1.92832 -168.47431 452.18304
6705.0000 -173.19182 -168.39768 4.79414 1.92682 -168.49941 447.28002
6710.0000 -172.27250 -168.73193 3.54058 1.91100 -168.76291 424.23349
6715.0000 -172.14960 -168.22417 3.92543 1.96464 -167.86935 469.36529
6720.0000 -172.29180 -168.10008 4.19172 1.96908 -167.79526 479.19116
6725.0000 -172.56328 -168.63462 3.92866 1.91659 -168.66979 443.74125
6730.0000 -172.47698 -167.83006 4.64692 1.93908 -168.29519 448.43830
6735.0000 -171.56569 -167.41268 4.15301 1.99873 -167.30133 504.47339
6740.0000 -171.74056 -168.16778 3.57278 1.99679 -167.33373 502.84965
6745.0000 -172.20154 -167.50718 4.69436 1.94702 -168.16290 453.61402
6750.0000 -171.56611 -168.13263 3.43348 1.93878 -168.30010 454.75820
FREEZING PROCESS: loop number 28 T-loop= 444.00000000000000
main_MD> interactions number 28 at Temperature= 444.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31215 -2.49511 -2.79965
force_rgl> df(natom) 1.47772 -0.39056 -0.11900
6755.0000 -172.26000 -168.86640 3.39360 1.93666 -168.33543 450.17904
6760.0000 -171.96353 -168.06221 3.90133 1.91463 -168.70241 428.85221
6765.0000 -171.19364 -167.59224 3.60140 1.96216 -167.91053 447.30174
6770.0000 -171.83731 -167.91296 3.92436 1.98443 -167.53951 452.61326
6775.0000 -171.89890 -167.83768 4.06122 1.94514 -168.19414 427.58800
6780.0000 -171.41039 -167.22541 4.18497 1.97066 -167.76895 453.49223
6785.0000 -171.54904 -167.03658 4.51246 2.00139 -167.25705 493.18667
6790.0000 -172.55164 -168.16427 4.38737 1.99126 -167.42578 490.87675
6795.0000 -172.62640 -169.23308 3.39332 1.93170 -168.41807 449.16061
6800.0000 -172.51045 -167.79572 4.71472 1.92701 -168.49621 439.57207
6805.0000 -172.00671 -167.85916 4.14755 1.99056 -167.43746 487.48616
6810.0000 -171.82600 -168.22541 3.60058 1.94969 -168.11831 438.45582
6815.0000 -171.55701 -167.46670 4.09031 1.98074 -167.60097 460.59041
6820.0000 -172.21395 -167.21475 4.99919 1.99772 -167.31813 483.62871
6825.0000 -171.83157 -167.25942 4.57216 2.01213 -167.07817 499.94628
6830.0000 -172.44564 -168.77725 3.66839 1.95558 -168.02025 460.61521
6835.0000 -172.23120 -168.55059 3.68061 1.89160 -169.08611 411.70876
6840.0000 -172.14300 -168.50062 3.64238 1.90395 -168.88034 414.57659
6845.0000 -172.34103 -168.76708 3.57395 1.92427 -168.54176 428.59461
6850.0000 -172.30414 -168.47950 3.82464 1.91951 -168.62122 423.67698
6855.0000 -172.53507 -168.44912 4.08595 1.95072 -168.10122 448.81677
6860.0000 -172.44077 -167.78960 4.65117 1.94241 -168.23969 443.53856
6865.0000 -171.79023 -167.95820 3.83203 1.97994 -167.61439 472.54027
6870.0000 -171.57207 -168.08306 3.48901 1.96905 -167.79581 467.21331
6875.0000 -171.85774 -167.94292 3.91482 1.95665 -168.00240 453.26134
6880.0000 -172.04261 -168.36252 3.68009 1.93408 -168.37841 437.64955
6885.0000 -171.18240 -167.61263 3.56977 1.94707 -168.16203 431.83655
6890.0000 -171.76471 -167.78957 3.97514 1.96378 -167.88366 443.33529
6895.0000 -171.38591 -167.53961 3.84630 1.97797 -167.64715 464.97165
6900.0000 -171.82221 -168.35318 3.46903 1.96999 -167.78017 467.92812
6905.0000 -172.12257 -168.18378 3.93879 1.93045 -168.43895 443.25824
6910.0000 -172.14135 -168.56464 3.57672 1.92972 -168.45106 440.23687
6915.0000 -171.91244 -167.55304 4.35940 1.95369 -168.05178 457.14857
6920.0000 -172.22077 -169.11116 3.10961 1.93060 -168.43634 434.09355
6925.0000 -172.09066 -167.96336 4.12730 1.92948 -168.45504 437.37148
6930.0000 -172.19915 -168.50985 3.68930 1.97141 -167.75646 473.43685
6935.0000 -172.17276 -167.63930 4.53345 1.94531 -168.19125 444.40831
6940.0000 -172.26432 -167.91824 4.34608 1.96297 -167.89708 474.00467
6945.0000 -171.71330 -167.06636 4.64695 1.97700 -167.66336 482.16302
6950.0000 -171.93490 -167.89133 4.04357 2.00207 -167.24568 500.14435
6955.0000 -171.09553 -167.30900 3.78654 1.97552 -167.68797 483.66270
6960.0000 -172.05409 -168.10743 3.94666 1.98141 -167.58992 450.04021
6965.0000 -171.99321 -168.56544 3.42777 1.94299 -168.23000 422.90529
6970.0000 -172.23165 -168.89208 3.33957 1.92051 -168.60456 420.17917
6975.0000 -172.66257 -168.85321 3.80936 1.90461 -168.86931 408.45079
6980.0000 -171.53935 -167.22784 4.31151 1.96139 -167.92342 454.95948
6985.0000 -171.70645 -167.82609 3.88036 1.98494 -167.53115 469.28460
6990.0000 -172.12279 -168.12286 3.99993 1.95575 -168.01736 439.94838
6995.0000 -171.14636 -167.85489 3.29147 1.95832 -167.97454 449.88535
7000.0000 -172.16741 -168.10483 4.06258 1.97364 -167.71928 458.55715
FREEZING PROCESS: loop number 29 T-loop= 419.00000000000000
main_MD> interactions number 29 at Temperature= 419.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.36860 0.93680 0.54710
force_rgl> df(natom) -0.26543 2.10746 -0.79423
7005.0000 -172.43387 -168.52749 3.90638 1.91575 -168.68381 432.78464
7010.0000 -172.56685 -168.96829 3.59855 1.90418 -168.87658 424.83057
7015.0000 -173.10508 -169.24465 3.86043 1.92766 -168.48532 457.55000
7020.0000 -172.59459 -168.71331 3.88127 1.91927 -168.62522 446.17335
7025.0000 -173.48149 -169.92303 3.55846 1.86349 -169.55449 399.68787
7030.0000 -172.98439 -169.60261 3.38178 1.85925 -169.62515 404.84492
7035.0000 -173.42185 -169.63897 3.78288 1.87872 -169.30065 415.05366
7040.0000 -173.38910 -169.65329 3.73581 1.86372 -169.55057 401.64724
7045.0000 -173.02936 -169.47319 3.55617 1.85988 -169.61460 401.27720
7050.0000 -172.91139 -169.66437 3.24702 1.84458 -169.86946 385.25154
7055.0000 -172.74635 -169.26215 3.48419 1.88535 -169.19020 420.11294
7060.0000 -172.87265 -169.03405 3.83860 1.90786 -168.81518 443.11028
7065.0000 -172.11730 -168.29758 3.81972 1.91517 -168.69340 443.93667
7070.0000 -173.30764 -169.38057 3.92707 1.91816 -168.64355 441.95624
7075.0000 -173.67384 -170.33690 3.33693 1.83132 -170.09042 374.21433
7080.0000 -172.50730 -168.67931 3.82800 1.86160 -169.58587 401.40489
7085.0000 -172.99673 -169.51384 3.48289 1.89607 -169.01167 435.72320
7090.0000 -174.06012 -170.54835 3.51177 1.84015 -169.94321 386.23418
7095.0000 -173.70418 -169.59111 4.11307 1.83652 -170.00378 378.10435
7100.0000 -173.60042 -170.40805 3.19236 1.83237 -170.07292 372.60439
7105.0000 -172.95634 -169.17811 3.77823 1.83073 -170.10025 374.63205
7110.0000 -172.55936 -168.69560 3.86376 1.88936 -169.12348 418.69619
7115.0000 -173.18969 -169.63529 3.55440 1.86731 -169.49071 408.63164
7120.0000 -172.95905 -169.32476 3.63429 1.86011 -169.61068 401.05952
7125.0000 -172.67268 -169.02859 3.64410 1.85775 -169.65013 402.28191
7130.0000 -172.53774 -168.83885 3.69888 1.87325 -169.39188 404.87083
7135.0000 -173.30942 -169.21381 4.09561 1.87035 -169.44021 405.42081
7140.0000 -173.36156 -169.55839 3.80316 1.88301 -169.22921 421.26431
7145.0000 -173.61714 -170.25232 3.36481 1.84507 -169.86130 381.16227
7150.0000 -173.29272 -169.76097 3.53175 1.84031 -169.94068 384.71476
7155.0000 -172.86830 -169.62107 3.24723 1.83934 -169.95672 379.51849
7160.0000 -173.48278 -169.79481 3.68797 1.83535 -170.02328 382.50036
7165.0000 -173.32846 -169.70477 3.62369 1.86347 -169.55471 393.24016
7170.0000 -172.90882 -169.59696 3.31186 1.87881 -169.29913 408.82250
7175.0000 -172.81609 -168.75775 4.05835 1.89529 -169.02460 428.12811
7180.0000 -173.36242 -169.98534 3.37708 1.86291 -169.56417 403.02414
7185.0000 -173.04598 -169.36939 3.67659 1.85119 -169.75943 391.75559
7190.0000 -172.91081 -169.42941 3.48140 1.88559 -169.18627 423.98654
7195.0000 -173.18805 -169.76563 3.42242 1.85669 -169.66765 397.08864
7200.0000 -172.85165 -168.89408 3.95757 1.88219 -169.24285 420.32471
7205.0000 -172.98425 -169.37101 3.61324 1.85764 -169.65191 391.94011
7210.0000 -172.46358 -168.38804 4.07554 1.91006 -168.77855 443.58335
7215.0000 -172.54772 -169.33756 3.21016 1.91811 -168.64439 442.57042
7220.0000 -173.03316 -169.12974 3.90342 1.86397 -169.54644 401.15460
7225.0000 -172.15746 -168.68414 3.47332 1.90013 -168.94405 433.24433
7230.0000 -172.45605 -168.22511 4.23095 1.94042 -168.27285 452.01483
7235.0000 -172.65718 -168.84223 3.81495 1.90750 -168.82128 440.52428
7240.0000 -172.41032 -168.86287 3.54745 1.88848 -169.13806 426.48364
7245.0000 -173.52470 -170.00477 3.51993 1.87364 -169.38534 418.95112
7250.0000 -173.16253 -169.39451 3.76802 1.88355 -169.22031 417.83911
FREEZING PROCESS: loop number 30 T-loop= 394.00000000000000
main_MD> interactions number 30 at Temperature= 394.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.92040 2.79554 -0.71568
force_rgl> df(natom) 0.78195 2.59514 0.01157
7255.0000 -173.72919 -169.82151 3.90768 1.86250 -169.57087 402.75181
7260.0000 -172.82883 -169.27559 3.55324 1.85268 -169.73452 392.31627
7265.0000 -173.39701 -169.94083 3.45618 1.86871 -169.46742 404.35148
7270.0000 -173.38547 -170.03530 3.35018 1.85323 -169.72532 392.14174
7275.0000 -173.66710 -170.21831 3.44880 1.82186 -170.24799 366.44024
7280.0000 -173.09467 -169.63814 3.45652 1.84152 -169.92038 379.98832
7285.0000 -173.23988 -169.30966 3.93022 1.87136 -169.42327 414.11760
7290.0000 -173.60579 -170.24029 3.36551 1.85458 -169.70289 398.07058
7295.0000 -173.34745 -169.99521 3.35225 1.83002 -170.11212 379.92807
7300.0000 -173.44094 -170.16720 3.27374 1.84318 -169.89276 383.15834
7305.0000 -173.42029 -169.74404 3.67625 1.83360 -170.05243 378.34754
7310.0000 -173.06371 -169.75519 3.30851 1.85414 -169.71018 393.75495
7315.0000 -173.75536 -170.45106 3.30430 1.83161 -170.08556 377.13290
7320.0000 -173.91782 -170.70193 3.21590 1.79297 -170.72926 342.98771
7325.0000 -173.01196 -170.04046 2.97149 1.80959 -170.45234 357.52257
7330.0000 -173.70787 -169.73440 3.97346 1.83656 -170.00316 385.29204
7335.0000 -173.34923 -170.10976 3.23947 1.86015 -169.61012 397.07324
7340.0000 -173.60547 -169.99687 3.60861 1.84131 -169.92390 386.68696
7345.0000 -173.33004 -170.19017 3.13987 1.82125 -170.25812 369.71780
7350.0000 -173.63034 -169.81308 3.81726 1.85170 -169.75082 393.80242
7355.0000 -172.61183 -169.38150 3.23033 1.85021 -169.77573 393.69442
7360.0000 -172.55730 -169.31547 3.24183 1.88477 -169.19986 423.48708
7365.0000 -172.88557 -169.12450 3.76107 1.89014 -169.11040 431.56819
7370.0000 -172.69763 -169.49461 3.20301 1.87653 -169.33716 414.29016
7375.0000 -173.50129 -170.08425 3.41704 1.83779 -169.98256 383.44472
7380.0000 -173.38658 -170.17126 3.21532 1.82076 -170.26628 367.59162
7385.0000 -172.58037 -169.13653 3.44384 1.83908 -169.96115 383.31958
7390.0000 -173.00405 -169.03266 3.97139 1.87243 -169.40545 408.73787
7395.0000 -173.19408 -169.82693 3.36715 1.86746 -169.48836 406.59328
7400.0000 -173.23941 -169.78428 3.45513 1.83656 -170.00308 382.05935
7405.0000 -173.34189 -169.76703 3.57486 1.84089 -169.93095 387.81200
7410.0000 -172.54870 -168.84006 3.70864 1.84377 -169.88298 386.04910
7415.0000 -173.27418 -169.70988 3.56430 1.87047 -169.43822 408.10799
7420.0000 -173.50007 -170.26070 3.23937 1.85723 -169.65868 401.29498
7425.0000 -173.23669 -169.48644 3.75024 1.84614 -169.84343 392.53552
7430.0000 -172.42408 -169.01782 3.40626 1.86806 -169.47837 410.23148
7435.0000 -173.48820 -170.06622 3.42198 1.89189 -169.08134 424.66330
7440.0000 -173.45338 -170.20527 3.24812 1.82452 -170.20366 373.27211
7445.0000 -173.93524 -170.93676 2.99849 1.80425 -170.54141 354.93178
7450.0000 -173.26554 -170.37404 2.89150 1.81873 -170.30010 364.09097
7455.0000 -173.16914 -169.60291 3.56623 1.84535 -169.85658 387.90876
7460.0000 -172.84528 -169.15182 3.69346 1.86106 -169.59493 405.36378
7465.0000 -173.38175 -169.39611 3.98564 1.85455 -169.70335 395.43425
7470.0000 -173.04435 -169.63262 3.41173 1.82730 -170.15728 372.11363
7475.0000 -172.60451 -169.67378 2.93074 1.85216 -169.74318 399.45257
7480.0000 -173.76858 -170.62396 3.14462 1.81138 -170.42256 358.04334
7485.0000 -172.70043 -169.42716 3.27327 1.84883 -169.79868 395.89001
7490.0000 -172.78229 -169.86665 2.91564 1.86935 -169.45684 409.57136
7495.0000 -173.52101 -169.40729 4.11372 1.86813 -169.47717 405.32898
7500.0000 -172.99144 -169.14860 3.84284 1.86952 -169.45402 403.36439
FREEZING PROCESS: loop number 31 T-loop= 369.00000000000000
main_MD> interactions number 31 at Temperature= 369.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.99712 0.83151 0.32919
force_rgl> df(natom) 0.67335 -1.24161 0.06659
7505.0000 -172.89736 -169.15459 3.74277 1.85234 -169.74023 396.11803
7510.0000 -173.36243 -169.73203 3.63040 1.85620 -169.67587 397.34721
7515.0000 -173.25911 -170.61266 2.64645 1.82819 -170.14253 375.00327
7520.0000 -173.41814 -170.01530 3.40284 1.81898 -170.29603 369.06884
7525.0000 -173.08690 -170.03963 3.04727 1.83427 -170.04120 379.87591
7530.0000 -173.22681 -170.14973 3.07708 1.82321 -170.22553 366.25323
7535.0000 -173.17227 -169.72215 3.45012 1.83255 -170.06994 378.86693
7540.0000 -173.27745 -169.67460 3.60285 1.84821 -169.80905 395.43639
7545.0000 -173.48900 -169.93382 3.55518 1.84052 -169.93713 386.94453
7550.0000 -173.66918 -170.67875 2.99043 1.83304 -170.06175 380.33228
7555.0000 -173.53089 -170.55157 2.97933 1.81204 -170.41157 364.54798
7560.0000 -173.74191 -170.48403 3.25789 1.79934 -170.62318 351.46399
7565.0000 -173.27680 -170.33990 2.93690 1.82312 -170.22704 369.93734
7570.0000 -173.41899 -170.24020 3.17878 1.82455 -170.20319 370.30407
7575.0000 -173.47574 -169.37947 4.09627 1.85142 -169.75554 384.76799
7580.0000 -173.44239 -169.76050 3.68189 1.85828 -169.64121 404.92362
7585.0000 -173.55045 -170.73723 2.81322 1.82148 -170.25428 373.23320
7590.0000 -173.58516 -169.59246 3.99270 1.79964 -170.61810 348.87447
7595.0000 -173.35285 -169.56666 3.78619 1.87700 -169.32943 420.18437
7600.0000 -173.05088 -169.84719 3.20368 1.85425 -169.70834 397.82933
7605.0000 -174.21889 -170.96987 3.24902 1.80350 -170.55385 351.14477
7610.0000 -173.74528 -170.13174 3.61354 1.80739 -170.48910 357.72485
7615.0000 -173.01939 -169.74242 3.27698 1.83076 -170.09972 374.58612
7620.0000 -172.82006 -169.62290 3.19716 1.85604 -169.67852 400.68456
7625.0000 -172.87272 -169.43735 3.43536 1.85927 -169.62477 405.37958
7630.0000 -173.41029 -170.15757 3.25271 1.84906 -169.79479 398.53744
7635.0000 -173.80555 -170.74441 3.06114 1.80099 -170.59568 351.91604
7640.0000 -173.43667 -170.25320 3.18347 1.80481 -170.53211 350.08842
7645.0000 -172.94944 -169.93503 3.01440 1.82895 -170.12983 355.29583
7650.0000 -172.85925 -169.49236 3.36689 1.85630 -169.67423 373.51131
7655.0000 -173.06939 -169.57070 3.49869 1.87560 -169.35271 393.57050
7660.0000 -173.66622 -170.08200 3.58422 1.83985 -169.94835 377.94456
7665.0000 -173.81102 -170.62554 3.18548 1.83456 -170.03643 386.59652
7670.0000 -173.37641 -170.60572 2.77069 1.80382 -170.54847 365.86599
7675.0000 -174.18998 -170.93269 3.25729 1.80639 -170.50565 368.30745
7680.0000 -173.04687 -169.53103 3.51584 1.84793 -169.81374 403.23460
7685.0000 -173.37657 -169.96139 3.41518 1.86637 -169.50642 405.45478
7690.0000 -173.92398 -170.68254 3.24144 1.80950 -170.45381 370.02855
7695.0000 -173.60517 -170.07353 3.53164 1.82338 -170.22263 379.94254
7700.0000 -173.56848 -170.17427 3.39422 1.83138 -170.08937 384.11407
7705.0000 -173.59126 -170.22948 3.36177 1.84010 -169.94410 397.95634
7710.0000 -174.28920 -170.97226 3.31695 1.81041 -170.43870 373.75680
7715.0000 -174.26774 -171.07501 3.19273 1.80657 -170.50274 368.81773
7720.0000 -174.42139 -171.76636 2.65503 1.75198 -171.41216 319.90887
7725.0000 -173.62980 -170.03624 3.59356 1.78167 -170.91757 345.02293
7730.0000 -173.91431 -170.35397 3.56034 1.84189 -169.91432 399.89645
7735.0000 -173.22636 -170.35171 2.87465 1.80253 -170.56999 362.95401
7740.0000 -173.21188 -169.69680 3.51507 1.82022 -170.27537 380.26244
7745.0000 -173.63781 -170.82241 2.81540 1.83326 -170.05812 392.69242
7750.0000 -173.57739 -170.12382 3.45356 1.79620 -170.67555 358.65008
FREEZING PROCESS: loop number 32 T-loop= 344.00000000000000
main_MD> interactions number 32 at Temperature= 344.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.60892 0.13361 0.83692
force_rgl> df(natom) 2.15587 -0.91728 -3.04472
7755.0000 -173.82832 -170.86576 2.96256 1.82638 -170.17273 384.18378
7760.0000 -174.34180 -171.10123 3.24057 1.75987 -171.28065 327.86674
7765.0000 -173.88138 -170.76593 3.11545 1.78276 -170.89937 348.14008
7770.0000 -174.00303 -170.84801 3.15502 1.78851 -170.80361 349.16264
7775.0000 -174.42566 -171.47526 2.95041 1.75539 -171.35535 319.91695
7780.0000 -174.01198 -171.55556 2.45642 1.75835 -171.30598 326.05341
7785.0000 -173.89012 -170.88104 3.00907 1.77331 -171.05688 338.07085
7790.0000 -174.02566 -171.17224 2.85342 1.79573 -170.68335 357.47451
7795.0000 -174.19503 -171.64793 2.54710 1.74416 -171.54249 314.76489
7800.0000 -174.23656 -171.57344 2.66312 1.74130 -171.59007 305.88614
7805.0000 -173.66247 -170.67449 2.98798 1.77070 -171.10031 338.69892
7810.0000 -174.22474 -171.47137 2.75337 1.78357 -170.88586 355.70940
7815.0000 -174.10224 -171.30167 2.80057 1.74872 -171.46650 319.31231
7820.0000 -174.36547 -171.61792 2.74755 1.75457 -171.36903 319.36556
7825.0000 -174.05707 -171.03476 3.02231 1.78015 -170.94285 343.51506
7830.0000 -173.99460 -170.75917 3.23544 1.77807 -170.97753 346.75090
7835.0000 -173.68045 -170.06981 3.61064 1.80080 -170.59882 362.56482
7840.0000 -174.10988 -170.95036 3.15952 1.79363 -170.71823 352.84566
7845.0000 -173.93413 -170.62426 3.30987 1.79417 -170.70935 355.13790
7850.0000 -173.73157 -170.56564 3.16593 1.81810 -170.31061 374.34128
7855.0000 -174.22586 -171.30593 2.91993 1.76037 -171.27240 324.61981
7860.0000 -173.72520 -171.29299 2.43221 1.75719 -171.32531 324.66921
7865.0000 -173.96885 -170.68799 3.28086 1.78324 -170.89146 347.63875
7870.0000 -173.62065 -170.62001 3.00065 1.78896 -170.79602 355.22815
7875.0000 -174.00401 -171.01333 2.99068 1.77572 -171.01669 340.42974
7880.0000 -174.25048 -170.97551 3.27497 1.78161 -170.91859 345.67931
7885.0000 -173.81519 -171.04670 2.76849 1.78432 -170.87337 348.17936
7890.0000 -174.16403 -171.15801 3.00601 1.77323 -171.05815 336.89138
7895.0000 -174.22619 -171.47341 2.75278 1.76310 -171.22699 329.78103
7900.0000 -174.32291 -171.04909 3.27382 1.77009 -171.11047 336.84055
7905.0000 -174.41120 -171.77712 2.63408 1.75755 -171.31942 323.68121
7910.0000 -174.01710 -171.12599 2.89111 1.74944 -171.45454 314.53683
7915.0000 -173.89737 -170.73409 3.16329 1.77335 -171.05613 340.32799
7920.0000 -173.93085 -170.72190 3.20895 1.78122 -170.92497 344.55955
7925.0000 -173.40581 -170.48314 2.92267 1.80160 -170.58551 362.16802
7930.0000 -173.62518 -170.75830 2.86688 1.80177 -170.58263 362.14992
7935.0000 -174.27997 -170.83330 3.44667 1.79654 -170.66987 357.86395
7940.0000 -174.66188 -171.64455 3.01732 1.75133 -171.42302 318.88044
7945.0000 -174.29580 -171.42629 2.86951 1.75321 -171.39162 321.55478
7950.0000 -174.11979 -170.84997 3.26982 1.75522 -171.35818 322.25889
7955.0000 -174.15640 -171.02721 3.12919 1.77793 -170.97990 341.30029
7960.0000 -174.21436 -170.97733 3.23703 1.79949 -170.62069 362.40168
7965.0000 -174.09941 -171.23209 2.86732 1.78037 -170.93927 344.36939
7970.0000 -173.36372 -170.68344 2.68028 1.75447 -171.37074 321.00600
7975.0000 -173.49693 -170.72081 2.77612 1.80165 -170.58463 362.41095
7980.0000 -173.60360 -169.98203 3.62156 1.81672 -170.33367 375.71369
7985.0000 -173.54687 -170.15972 3.38715 1.84059 -169.93599 397.84507
7990.0000 -173.93095 -170.49756 3.43339 1.81836 -170.30625 377.35970
7995.0000 -173.97602 -170.56875 3.40727 1.79947 -170.62093 361.45316
8000.0000 -173.26205 -169.74540 3.51665 1.81964 -170.28501 379.13887
FREEZING PROCESS: loop number 33 T-loop= 319.00000000000000
main_MD> interactions number 33 at Temperature= 319.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.61392 0.36970 -0.93936
force_rgl> df(natom) -2.35025 0.12582 0.74680
8005.0000 -174.42787 -170.98825 3.43962 1.80421 -170.54195 367.33089
8010.0000 -173.99027 -170.98867 3.00160 1.78765 -170.81790 350.83219
8015.0000 -173.98000 -170.76376 3.21624 1.78015 -170.94278 343.03173
8020.0000 -174.70593 -171.20232 3.50361 1.77213 -171.07647 334.79521
8025.0000 -174.50362 -171.85148 2.65214 1.74716 -171.49241 315.32383
8030.0000 -174.46263 -171.81160 2.65103 1.74073 -171.59961 309.20484
8035.0000 -174.19608 -171.48247 2.71361 1.74977 -171.44904 315.22086
8040.0000 -174.28160 -171.10758 3.17402 1.77601 -171.01188 338.65524
8045.0000 -174.11503 -171.36148 2.75355 1.75452 -171.36985 323.34974
8050.0000 -174.04718 -171.27533 2.77185 1.77087 -171.09753 337.88018
8055.0000 -173.59502 -170.80550 2.78952 1.78829 -170.80731 351.25340
8060.0000 -174.41136 -171.68632 2.72504 1.77223 -171.07488 336.62091
8065.0000 -174.08569 -171.07206 3.01364 1.74978 -171.44884 319.85900
8070.0000 -173.80329 -171.18225 2.62104 1.76964 -171.11802 336.79756
8075.0000 -174.33796 -171.57204 2.76591 1.76456 -171.20255 333.99168
8080.0000 -173.89473 -171.28610 2.60863 1.74881 -171.46494 316.10866
8085.0000 -173.38262 -170.78337 2.59925 1.78892 -170.79667 349.39339
8090.0000 -174.21504 -171.11817 3.09687 1.77248 -171.07066 334.83642
8095.0000 -174.31626 -171.47390 2.84236 1.78130 -170.92370 344.84701
8100.0000 -174.94848 -172.28470 2.66378 1.73358 -171.71878 301.34497
8105.0000 -174.63365 -171.78745 2.84620 1.71444 -172.03761 286.83662
8110.0000 -174.00857 -171.21582 2.79275 1.75951 -171.28678 326.06878
8115.0000 -173.95408 -170.98970 2.96438 1.75016 -171.44253 319.12860
8120.0000 -174.30559 -171.79992 2.50567 1.74242 -171.57142 311.82153
8125.0000 -174.09425 -171.40001 2.69425 1.74049 -171.60361 306.95582
8130.0000 -174.17816 -171.19561 2.98255 1.76026 -171.27419 327.21913
8135.0000 -174.24483 -171.37463 2.87020 1.77051 -171.10342 342.10576
8140.0000 -174.47434 -172.04544 2.42890 1.72992 -171.77972 299.60017
8145.0000 -173.89217 -171.08806 2.80410 1.73606 -171.67734 304.90828
8150.0000 -174.37828 -171.60420 2.77408 1.76530 -171.19027 331.36426
8155.0000 -174.52480 -171.77355 2.75124 1.73342 -171.72132 307.50988
8160.0000 -174.69244 -171.72866 2.96378 1.73993 -171.61298 309.08043
8165.0000 -174.15749 -171.80668 2.35081 1.73820 -171.64169 307.23458
8170.0000 -174.36755 -171.52461 2.84294 1.73422 -171.70812 303.01465
8175.0000 -174.38037 -170.99313 3.38724 1.74667 -171.50065 313.01144
8180.0000 -174.14915 -171.28679 2.86236 1.75005 -171.44426 315.53398
8185.0000 -174.39748 -171.16305 3.23443 1.77171 -171.08341 338.26271
8190.0000 -174.45913 -171.29845 3.16068 1.75220 -171.40858 319.73382
8195.0000 -174.37838 -171.70849 2.66989 1.74454 -171.53605 313.74046
8200.0000 -174.01665 -171.36933 2.64732 1.74559 -171.51864 318.46515
8205.0000 -173.55473 -170.00384 3.55088 1.79705 -170.66129 361.43373
8210.0000 -174.35117 -171.43284 2.91832 1.79522 -170.69180 354.83515
8215.0000 -174.39445 -171.71958 2.67487 1.74530 -171.52343 311.05213
8220.0000 -174.32141 -171.60216 2.71925 1.73958 -171.61882 312.85799
8225.0000 -174.08517 -171.37167 2.71351 1.74644 -171.50453 315.23642
8230.0000 -174.47405 -171.41616 3.05789 1.76068 -171.26731 330.00520
8235.0000 -174.59310 -171.98956 2.60354 1.74832 -171.47322 315.02925
8240.0000 -175.09283 -172.27005 2.82278 1.72757 -171.81878 300.71303
8245.0000 -174.55060 -171.60734 2.94326 1.72777 -171.81546 299.65577
8250.0000 -174.35524 -171.56490 2.79034 1.74882 -171.46484 316.05188
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 2.9186860 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink