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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_40/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_40.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 = 40 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 40 4000
main_MD> Size of nv and nvoiz: 40 4000
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 = 40
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> -1.8792455606487124E-003 -3.9258415212701438E-002 2.2797610169234873E-003 initial drift of cluster / NP1 for coalescence
init> 0.32697799509834991 0.30862195592182845 0.29400460753001650 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6802858051509617E-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) -0.07541 0.60242 2.31613
force_rgl> df(natom) -2.57305 -0.76383 -2.99686
preparo> THERMALIZATION PROCESS AT 1176.0948814608407
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -89.338315014410611 5.5407402598264062 -94.879055274237018 5.3627656321745838E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1150.0000000000000
main_MD> interactions number 1 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29826 0.21396 0.03850
force_rgl> df(natom) -1.22057 -1.18044 -1.19117
5.0000 -92.75102 -87.65720 5.09382 2.57569 -87.87449 1072.24192
10.0000 -92.53119 -86.72807 5.80312 2.60596 -87.52046 1036.50627
15.0000 -91.14986 -85.42856 5.72130 2.72144 -86.16989 1083.36652
20.0000 -92.24046 -84.85026 7.39020 2.81529 -85.07220 1250.68502
25.0000 -89.79141 -83.17383 6.61759 2.91464 -83.91017 1277.88476
30.0000 -89.17578 -82.28571 6.89007 3.07208 -82.06872 1450.37782
35.0000 -91.29884 -85.81286 5.48597 2.87711 -84.34912 1286.21808
40.0000 -91.35736 -84.51700 6.84036 2.81144 -85.11724 1218.53603
45.0000 -91.30033 -84.97171 6.32862 2.85440 -84.61471 1266.98973
50.0000 -89.74566 -85.39670 4.34896 2.86896 -84.44440 1244.14572
55.0000 -91.94203 -86.53789 5.40414 2.73191 -86.04740 1080.02056
60.0000 -90.56133 -85.23752 5.32381 2.75464 -85.78156 1215.85327
65.0000 -90.27249 -86.10635 4.16614 2.77984 -85.48685 1225.08873
70.0000 -93.10507 -87.70646 5.39861 2.74132 -85.93730 1130.93726
75.0000 -93.02360 -86.08575 6.93785 2.65683 -86.92547 1093.87903
80.0000 -92.41070 -86.25787 6.15282 2.74360 -85.91062 1143.09242
85.0000 -91.12105 -86.05722 5.06383 2.75184 -85.81429 1169.55293
90.0000 -93.33009 -86.62483 6.70525 2.68639 -86.57975 1143.52340
95.0000 -90.92314 -85.42073 5.50241 2.74829 -85.85582 1094.40057
100.0000 -91.93565 -85.84066 6.09499 2.81166 -85.11467 1169.77370
105.0000 -91.71250 -83.89265 7.81984 2.77806 -85.50758 1193.46243
110.0000 -91.49779 -85.21895 6.27884 2.89709 -84.11547 1299.14191
115.0000 -92.60829 -86.13356 6.47474 2.75844 -85.73707 1183.29305
120.0000 -92.24199 -86.49881 5.74318 2.74399 -85.90611 1093.94456
125.0000 -91.33386 -86.21276 5.12110 2.71175 -86.28318 1144.77910
130.0000 -91.36389 -85.69376 5.67013 2.75235 -85.80834 1170.13188
135.0000 -91.86987 -86.33396 5.53591 2.77065 -85.59426 1231.02860
140.0000 -93.75103 -87.17061 6.58042 2.67183 -86.75006 1066.00731
145.0000 -91.45901 -85.42196 6.03705 2.69841 -86.43926 1151.26331
150.0000 -90.12776 -84.78898 5.33878 2.83004 -84.89962 1180.95160
155.0000 -91.85723 -85.71161 6.14562 2.85764 -84.57681 1191.98297
160.0000 -92.80877 -86.04247 6.76630 2.79113 -85.35478 1164.80219
165.0000 -92.50849 -85.39450 7.11398 2.71978 -86.18931 1174.52271
170.0000 -91.74165 -84.85287 6.88878 2.82814 -84.92189 1242.63317
175.0000 -93.16298 -86.69617 6.46680 2.76080 -85.70948 1180.44332
180.0000 -90.55354 -85.94599 4.60755 2.78881 -85.38184 1187.61001
185.0000 -92.32126 -86.57046 5.75080 2.69830 -86.44051 1084.42090
190.0000 -91.21280 -86.09395 5.11885 2.73417 -86.02091 1168.49199
195.0000 -91.77896 -85.79778 5.98118 2.77460 -85.54814 1202.97509
200.0000 -93.61785 -87.34789 6.26997 2.77249 -85.57275 1154.94303
205.0000 -93.56770 -88.76044 4.80726 2.55327 -88.13672 985.29796
210.0000 -92.44483 -87.37669 5.06814 2.56997 -87.94145 1009.29428
215.0000 -93.82908 -88.33149 5.49759 2.63662 -87.16194 1099.67229
220.0000 -90.92664 -84.66518 6.26146 2.70479 -86.36454 1153.30777
225.0000 -90.31698 -83.60857 6.70841 2.86631 -84.47548 1282.55813
230.0000 -89.96012 -82.61120 7.34892 2.92337 -83.80808 1238.21659
235.0000 -93.51620 -87.62129 5.89491 2.75965 -85.72290 1180.51962
240.0000 -90.30076 -84.77358 5.52718 2.70997 -86.30403 1164.59493
245.0000 -91.92264 -85.61104 6.31161 2.85467 -84.61160 1307.40833
250.0000 -92.80918 -85.72781 7.08138 2.73005 -86.06916 1224.18926
FREEZING PROCESS: loop number 2 T-loop= 1125.0000000000000
main_MD> interactions number 2 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.58132 -0.83708 -4.38477
force_rgl> df(natom) 1.02237 -2.20265 -1.72684
255.0000 -92.43045 -87.15111 5.27934 2.66530 -86.82646 1065.94099
260.0000 -91.38235 -84.77574 6.60661 2.76603 -85.64831 1160.39198
265.0000 -93.33801 -86.58708 6.75093 2.75989 -85.72019 1184.93537
270.0000 -91.97588 -86.22112 5.75476 2.73194 -86.04707 1163.34870
275.0000 -91.40428 -85.95097 5.45331 2.67954 -86.65995 1136.26702
280.0000 -92.63439 -86.30697 6.32742 2.65708 -86.92262 1074.76223
285.0000 -92.20187 -87.23366 4.96821 2.77467 -85.54721 1237.14255
290.0000 -93.43405 -89.02043 4.41362 2.56628 -87.98460 1030.36678
295.0000 -91.40321 -87.95582 3.44739 2.53930 -88.30015 944.05494
300.0000 -90.88040 -85.21139 5.66901 2.70249 -86.39145 1105.77980
305.0000 -90.57736 -85.93376 4.64360 2.71749 -86.21608 1115.91582
310.0000 -92.73654 -87.98268 4.75386 2.69536 -86.47482 1098.32991
315.0000 -91.58414 -86.76149 4.82265 2.70796 -86.32748 1104.05370
320.0000 -91.70578 -85.86748 5.83830 2.75283 -85.80273 1124.89124
325.0000 -91.41200 -84.83848 6.57352 2.81645 -85.05863 1138.77236
330.0000 -92.06865 -85.31261 6.75604 2.78198 -85.46173 1170.69732
335.0000 -91.07894 -84.13775 6.94118 2.85738 -84.57992 1219.03088
340.0000 -92.05995 -85.79622 6.26373 2.81911 -85.02743 1237.40820
345.0000 -92.27146 -86.19638 6.07507 2.76067 -85.71104 1153.85618
350.0000 -91.86697 -86.96241 4.90456 2.67097 -86.76014 1105.82421
355.0000 -92.41339 -87.34133 5.07205 2.68696 -86.57311 1119.87538
360.0000 -92.76787 -87.35980 5.40807 2.57459 -87.88738 1003.20980
365.0000 -92.80513 -86.33858 6.46655 2.65549 -86.94119 1098.21518
370.0000 -92.70538 -85.95402 6.75136 2.73147 -86.05250 1152.95452
375.0000 -93.24359 -87.24714 5.99646 2.65387 -86.96015 1082.15720
380.0000 -91.87487 -87.70403 4.17084 2.62315 -87.31944 1077.08815
385.0000 -92.84009 -87.16882 5.67127 2.64512 -87.06246 1087.99291
390.0000 -92.06609 -86.38122 5.68487 2.64332 -87.08356 1065.53610
395.0000 -91.63070 -86.32445 5.30625 2.66507 -86.82913 1069.27430
400.0000 -93.49633 -87.48509 6.01124 2.69204 -86.51373 1128.19932
405.0000 -93.32731 -88.42911 4.89820 2.60236 -87.56259 1027.06110
410.0000 -91.71447 -86.33344 5.38103 2.68136 -86.63865 1121.24454
415.0000 -91.47508 -85.24310 6.23198 2.78058 -85.47816 1177.57905
420.0000 -90.73837 -84.89592 5.84244 2.79722 -85.28355 1157.81108
425.0000 -91.47793 -85.55743 5.92050 2.85123 -84.65183 1198.70887
430.0000 -92.63357 -87.45597 5.17759 2.68158 -86.63604 1145.49395
435.0000 -91.60086 -86.11857 5.48229 2.64986 -87.00706 1114.11139
440.0000 -91.68469 -87.26444 4.42025 2.69518 -86.47694 1106.27401
445.0000 -93.17590 -87.83813 5.33777 2.61533 -87.41096 1040.32855
450.0000 -92.36292 -86.49522 5.86770 2.66148 -86.87108 1134.82364
455.0000 -92.92397 -86.76695 6.15702 2.71037 -86.29931 1108.91199
460.0000 -91.87228 -84.01052 7.86176 2.81331 -85.09533 1215.92179
465.0000 -93.33462 -87.25335 6.08127 2.76650 -85.64287 1169.97211
470.0000 -91.75497 -85.56589 6.18908 2.63773 -87.14888 1061.85416
475.0000 -92.50418 -85.53391 6.97026 2.73837 -85.97181 1160.40091
480.0000 -91.27944 -83.40451 7.87493 2.93194 -83.70786 1312.51087
485.0000 -91.63547 -84.04702 7.58845 2.94003 -83.61321 1307.74308
490.0000 -91.98100 -86.17376 5.80724 2.80856 -85.15091 1181.94657
495.0000 -91.13502 -84.42103 6.71400 2.71161 -86.28481 1126.53319
500.0000 -91.00476 -86.04260 4.96216 2.79400 -85.32122 1172.26986
FREEZING PROCESS: loop number 3 T-loop= 1100.0000000000000
main_MD> interactions number 3 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99086 1.51091 2.89714
force_rgl> df(natom) 0.38729 0.26914 -3.62413
505.0000 -92.06335 -85.46503 6.59832 2.74037 -85.94846 1139.43361
510.0000 -91.74966 -86.04697 5.70270 2.78150 -85.46742 1169.74181
515.0000 -93.30404 -85.84750 7.45654 2.71395 -86.25745 1093.08574
520.0000 -92.33416 -86.81818 5.51599 2.68708 -86.57178 1093.57649
525.0000 -91.29618 -86.19050 5.10568 2.70406 -86.37311 1127.72922
530.0000 -91.11471 -84.98710 6.12761 2.74459 -85.89914 1120.02389
535.0000 -90.29218 -84.78123 5.51094 2.81959 -85.02184 1193.09980
540.0000 -91.61380 -86.74204 4.87176 2.72736 -86.10056 1122.06321
545.0000 -91.83517 -86.86829 4.96687 2.67759 -86.68277 1047.12480
550.0000 -93.13455 -87.52776 5.60680 2.64798 -87.02899 1023.53095
555.0000 -94.37968 -88.60692 5.77276 2.56061 -88.05093 996.26165
560.0000 -93.27842 -87.89305 5.38538 2.57708 -87.85824 985.34336
565.0000 -92.10327 -87.75282 4.35045 2.57367 -87.89823 1021.43908
570.0000 -93.12449 -87.02793 6.09656 2.63069 -87.23123 1038.48578
575.0000 -92.50662 -87.26626 5.24036 2.70338 -86.38102 1147.80071
580.0000 -94.53909 -89.09746 5.44163 2.61418 -87.42435 1050.86830
585.0000 -91.72496 -87.03445 4.69051 2.51998 -88.52608 990.78398
590.0000 -90.39749 -85.29501 5.10248 2.73405 -86.02241 1107.80093
595.0000 -90.34256 -84.44858 5.89398 2.84305 -84.74752 1240.81841
600.0000 -90.47534 -85.13003 5.34531 2.84025 -84.78021 1187.27359
605.0000 -92.03028 -86.49117 5.53911 2.65999 -86.88860 1080.45971
610.0000 -92.78476 -87.60780 5.17696 2.62800 -87.26269 1045.77592
615.0000 -94.47599 -89.97075 4.50524 2.50116 -88.74624 965.23467
620.0000 -92.38071 -87.25822 5.12249 2.50397 -88.71342 983.63198
625.0000 -92.42102 -86.34474 6.07628 2.68051 -86.64855 1061.46904
630.0000 -93.12030 -87.86603 5.25427 2.56513 -87.99801 1040.37518
635.0000 -92.96782 -87.77828 5.18954 2.54148 -88.27463 956.39866
640.0000 -90.88279 -86.48268 4.40010 2.65845 -86.90655 1052.16057
645.0000 -92.74552 -88.32682 4.41870 2.60301 -87.55506 997.13079
650.0000 -92.79340 -88.14308 4.65032 2.48297 -88.95898 951.82215
655.0000 -91.98160 -86.23667 5.74493 2.61977 -87.35897 1052.17416
660.0000 -91.54512 -86.16182 5.38330 2.73156 -86.05151 1120.02617
665.0000 -93.18585 -87.77401 5.41184 2.58015 -87.82233 1023.66475
670.0000 -91.82406 -86.00963 5.81443 2.67997 -86.65490 1140.26196
675.0000 -91.71242 -86.13353 5.57889 2.67415 -86.72301 1074.27516
680.0000 -91.56034 -85.51553 6.04481 2.71143 -86.28692 1173.45130
685.0000 -91.54427 -84.74412 6.80014 2.75475 -85.78023 1168.02275
690.0000 -92.53452 -85.52117 7.01335 2.81081 -85.12451 1246.77755
695.0000 -92.52318 -86.81156 5.71161 2.67893 -86.66704 1082.30306
700.0000 -91.81783 -86.59142 5.22641 2.57932 -87.83204 1039.29516
705.0000 -92.22355 -85.74822 6.47533 2.68771 -86.56434 1128.57279
710.0000 -92.65231 -86.84277 5.80954 2.71031 -86.30008 1140.51170
715.0000 -93.28758 -87.53396 5.75361 2.58974 -87.71024 1023.32118
720.0000 -93.32940 -88.87709 4.45231 2.55165 -88.15572 995.77949
725.0000 -94.37381 -87.92098 6.45283 2.56938 -87.94834 980.43552
730.0000 -92.86295 -87.79163 5.07132 2.58135 -87.80834 1049.38864
735.0000 -93.07343 -88.22533 4.84810 2.56578 -87.99042 1014.48554
740.0000 -93.82366 -88.28469 5.53897 2.51640 -88.56805 951.12326
745.0000 -93.26009 -88.38780 4.87229 2.52881 -88.42287 956.69261
750.0000 -92.40836 -86.85118 5.55718 2.60320 -87.55276 1063.47284
FREEZING PROCESS: loop number 4 T-loop= 1075.0000000000000
main_MD> interactions number 4 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.13049 1.42866 -3.30431
force_rgl> df(natom) -3.24836 -0.47326 2.27710
755.0000 -93.89095 -88.27913 5.61182 2.66718 -86.80444 1126.49784
760.0000 -93.76401 -88.27631 5.48770 2.53826 -88.31229 998.93727
765.0000 -93.28599 -87.48745 5.79854 2.58310 -87.78785 1038.12797
770.0000 -93.30221 -88.89177 4.41044 2.55280 -88.14224 955.84101
775.0000 -93.91966 -89.22769 4.69198 2.41670 -89.73405 911.85030
780.0000 -91.61174 -86.03709 5.57466 2.57321 -87.90357 1032.38646
785.0000 -91.76253 -85.94886 5.81367 2.72383 -86.14188 1159.07821
790.0000 -91.13265 -85.99468 5.13798 2.75947 -85.72501 1130.22109
795.0000 -93.69103 -88.38127 5.30976 2.61180 -87.45221 1046.79356
800.0000 -94.32229 -88.70741 5.61488 2.53467 -88.35437 1019.52380
805.0000 -93.53809 -87.64113 5.89696 2.54049 -88.28630 1030.81515
810.0000 -91.70225 -86.58719 5.11506 2.61382 -87.42860 1033.76199
815.0000 -93.42849 -86.84920 6.57929 2.70932 -86.31158 1098.33267
820.0000 -92.90785 -86.74752 6.16033 2.60808 -87.49569 1094.52479
825.0000 -92.86818 -87.91157 4.95661 2.65144 -86.98861 1085.94569
830.0000 -92.42940 -86.08742 6.34198 2.66539 -86.82539 1083.06947
835.0000 -92.17056 -86.84553 5.32503 2.74830 -85.85566 1140.80343
840.0000 -90.76666 -86.12986 4.63680 2.62360 -87.31418 1055.52122
845.0000 -90.57212 -85.46094 5.11118 2.78634 -85.41080 1177.23737
850.0000 -91.98804 -84.89322 7.09482 2.83594 -84.83070 1239.05661
855.0000 -90.13617 -85.57666 4.55951 2.85224 -84.64005 1257.41929
860.0000 -93.07954 -87.43859 5.64095 2.62164 -87.33713 1070.79542
865.0000 -93.11104 -87.07358 6.03746 2.68643 -86.57928 1162.96341
870.0000 -92.69160 -86.78257 5.90902 2.69960 -86.42534 1173.84754
875.0000 -91.27687 -86.39408 4.88279 2.60985 -87.47503 1035.57275
880.0000 -91.34030 -86.00525 5.33505 2.70685 -86.34048 1130.37549
885.0000 -93.25160 -89.22042 4.03118 2.59100 -87.69544 1040.83181
890.0000 -93.28440 -88.68154 4.60286 2.44934 -89.35236 919.21764
895.0000 -92.98934 -87.57425 5.41509 2.61218 -87.44772 1049.10776
900.0000 -94.13367 -88.88717 5.24650 2.55870 -88.07329 1034.44903
905.0000 -93.74137 -88.18104 5.56034 2.52305 -88.49028 946.32330
910.0000 -93.47690 -87.27799 6.19891 2.56420 -88.00898 1003.87481
915.0000 -91.93840 -86.74529 5.19310 2.70053 -86.41439 1143.49338
920.0000 -92.11656 -86.06184 6.05472 2.75399 -85.78909 1181.40961
925.0000 -92.11277 -86.07232 6.04045 2.64187 -87.10054 1083.61889
930.0000 -94.38405 -88.17230 6.21175 2.71892 -86.19927 1113.52274
935.0000 -93.12967 -87.81230 5.31737 2.61245 -87.44460 1053.51566
940.0000 -95.44338 -91.12375 4.31963 2.49894 -88.77222 969.23949
945.0000 -94.55728 -89.45487 5.10241 2.38527 -90.10166 849.45289
950.0000 -92.73842 -86.71824 6.02019 2.51426 -88.59299 970.93774
955.0000 -92.10921 -87.35905 4.75016 2.62398 -87.30971 1075.42338
960.0000 -93.62275 -88.22193 5.40082 2.56837 -87.96019 1025.04089
965.0000 -92.04197 -86.68536 5.35661 2.69608 -86.46651 1140.52098
970.0000 -92.54647 -87.07912 5.46734 2.69744 -86.45059 1070.57708
975.0000 -91.84160 -84.58251 7.25909 2.74831 -85.85553 1100.11943
980.0000 -91.74351 -86.18603 5.55747 2.79477 -85.31213 1136.58178
985.0000 -91.97193 -85.31625 6.65568 2.75767 -85.74605 1165.00661
990.0000 -93.48645 -87.91120 5.57525 2.68985 -86.53934 1067.54452
995.0000 -92.42649 -86.44407 5.98242 2.65942 -86.89518 1079.34136
1000.0000 -91.76958 -87.49320 4.27638 2.69342 -86.49758 1086.16813
FREEZING PROCESS: loop number 5 T-loop= 1050.0000000000000
main_MD> interactions number 5 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.87878 -0.01774 1.41156
force_rgl> df(natom) -1.43552 7.63449 -0.64896
1005.0000 -92.56051 -87.29116 5.26935 2.61278 -87.44069 1030.91732
1010.0000 -94.27662 -89.88597 4.39065 2.55000 -88.17502 1006.09985
1015.0000 -93.97600 -88.85494 5.12106 2.48307 -88.95789 972.31922
1020.0000 -93.40138 -88.32315 5.07823 2.49402 -88.82972 948.64380
1025.0000 -92.80822 -87.77444 5.03379 2.64009 -87.12135 1075.10830
1030.0000 -92.86044 -86.82130 6.03914 2.63654 -87.16287 1059.15198
1035.0000 -94.75793 -88.77001 5.98792 2.61707 -87.39058 1018.04442
1040.0000 -93.29006 -88.42830 4.86176 2.53369 -88.36579 952.44049
1045.0000 -92.46692 -88.21017 4.25675 2.55332 -88.13624 944.31473
1050.0000 -93.31234 -88.07369 5.23866 2.56121 -88.04388 967.68697
1055.0000 -94.74047 -89.86282 4.87765 2.46801 -89.13401 992.98863
1060.0000 -92.67195 -88.29530 4.37665 2.46266 -89.19652 959.15069
1065.0000 -92.67224 -87.46512 5.20712 2.55495 -88.11708 996.97516
1070.0000 -93.50295 -88.74221 4.76074 2.60772 -87.49994 1059.75834
1075.0000 -92.96961 -88.25750 4.71211 2.52145 -88.50896 1008.52743
1080.0000 -94.29667 -89.20272 5.09395 2.54329 -88.25348 980.78294
1085.0000 -92.56069 -87.95694 4.60374 2.51298 -88.60803 932.29732
1090.0000 -92.94024 -88.23581 4.70443 2.57630 -87.86742 990.17930
1095.0000 -93.74756 -87.79934 5.94822 2.56405 -88.01071 1015.37244
1100.0000 -92.99552 -88.07430 4.92123 2.52682 -88.44614 992.70923
1105.0000 -92.02140 -86.62951 5.39189 2.59112 -87.69407 1031.86256
1110.0000 -90.55073 -84.79067 5.76006 2.76649 -85.64295 1173.22916
1115.0000 -93.10143 -88.31619 4.78524 2.63730 -87.15394 1052.17267
1120.0000 -92.43378 -88.23782 4.19596 2.59632 -87.63331 1066.80437
1125.0000 -91.35593 -84.19020 7.16573 2.73849 -85.97044 1133.51145
1130.0000 -92.72558 -86.90981 5.81577 2.84250 -84.75386 1251.49005
1135.0000 -90.77329 -83.76430 7.00899 2.76247 -85.68993 1153.24698
1140.0000 -93.57161 -88.50417 5.06744 2.72482 -86.13033 1178.39427
1145.0000 -93.74678 -88.42456 5.32222 2.54139 -88.27572 976.78378
1150.0000 -93.78835 -88.30809 5.48026 2.53995 -88.29258 1019.54437
1155.0000 -94.11913 -88.79017 5.32896 2.58346 -87.78364 994.41901
1160.0000 -91.66169 -86.12287 5.53882 2.61860 -87.37263 1060.63378
1165.0000 -92.47027 -88.02410 4.44617 2.64367 -87.07949 1032.91127
1170.0000 -94.79375 -89.65719 5.13656 2.53056 -88.40242 978.14744
1175.0000 -93.27126 -87.90777 5.36349 2.52682 -88.44613 1029.61092
1180.0000 -93.66903 -85.80531 7.86372 2.65448 -86.95301 1133.33814
1185.0000 -93.40693 -87.40079 6.00615 2.67242 -86.74316 1122.29273
1190.0000 -93.84785 -88.43396 5.41389 2.57898 -87.83609 1005.59734
1195.0000 -93.05205 -88.04640 5.00565 2.50311 -88.72349 917.94393
1200.0000 -92.63504 -87.11562 5.51941 2.57577 -87.87355 1024.86452
1205.0000 -93.28929 -87.78450 5.50480 2.68465 -86.60009 1165.45041
1210.0000 -94.48292 -89.10671 5.37621 2.53235 -88.38151 1023.02433
1215.0000 -92.18277 -85.96181 6.22096 2.62971 -87.24268 1093.71649
1220.0000 -92.48738 -87.26395 5.22343 2.69131 -86.52227 1078.63070
1225.0000 -91.87122 -87.23412 4.63709 2.64641 -87.04744 1056.81494
1230.0000 -93.00541 -88.45592 4.54949 2.57308 -87.90506 992.18992
1235.0000 -93.57001 -88.34609 5.22392 2.55561 -88.10944 1023.62701
1240.0000 -93.82528 -88.70464 5.12064 2.53015 -88.40715 1022.07819
1245.0000 -92.26482 -86.19293 6.07189 2.61196 -87.45029 1045.67722
1250.0000 -91.92108 -86.19107 5.73001 2.69609 -86.46637 1082.06401
FREEZING PROCESS: loop number 6 T-loop= 1025.0000000000000
main_MD> interactions number 6 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69421 -0.32877 -2.03490
force_rgl> df(natom) 2.75019 1.39474 -1.01615
1255.0000 -93.26342 -86.92001 6.34341 2.61627 -87.39995 1041.96349
1260.0000 -93.43756 -88.81352 4.62403 2.57817 -87.84560 1010.79614
1265.0000 -94.35870 -89.01742 5.34128 2.47611 -89.03928 918.89121
1270.0000 -93.16513 -88.72840 4.43673 2.54512 -88.23205 993.37680
1275.0000 -92.25597 -87.13404 5.12193 2.63196 -87.21646 1005.51177
1280.0000 -92.69464 -87.36029 5.33436 2.63738 -87.15298 1044.05833
1285.0000 -92.62862 -87.07828 5.55035 2.61827 -87.37647 1039.83580
1290.0000 -92.22269 -86.18220 6.04050 2.68177 -86.63386 1107.16324
1295.0000 -93.70688 -87.51612 6.19076 2.60162 -87.57132 1070.06540
1300.0000 -91.67869 -85.58915 6.08954 2.71675 -86.22475 1135.55201
1305.0000 -91.85958 -85.22558 6.63400 2.78213 -85.46004 1202.25357
1310.0000 -93.05568 -86.67213 6.38356 2.74286 -85.91935 1101.88056
1315.0000 -92.84548 -87.28378 5.56170 2.59369 -87.66407 1053.37260
1320.0000 -93.58014 -88.69236 4.88778 2.52834 -88.42838 969.83869
1325.0000 -92.19150 -86.71721 5.47429 2.62428 -87.30628 1075.28436
1330.0000 -91.82937 -85.05505 6.77432 2.73777 -85.97889 1179.52049
1335.0000 -91.53046 -86.01742 5.51304 2.76461 -85.66490 1191.96692
1340.0000 -91.98867 -86.12976 5.85891 2.68875 -86.55214 1082.39201
1345.0000 -91.45082 -85.02963 6.42120 2.71648 -86.22790 1096.26178
1350.0000 -91.24659 -85.42142 5.82517 2.79950 -85.25684 1154.71410
1355.0000 -92.24672 -87.14814 5.09858 2.67712 -86.68816 1074.44281
1360.0000 -93.80623 -89.11046 4.69577 2.52420 -88.47672 943.94989
1365.0000 -93.82911 -87.34761 6.48150 2.54705 -88.20955 1022.16446
1370.0000 -93.24391 -87.44935 5.79456 2.58368 -87.78105 998.29335
1375.0000 -92.89775 -87.17334 5.72440 2.59591 -87.63800 995.96918
1380.0000 -93.12162 -87.75632 5.36531 2.54988 -88.17647 962.98804
1385.0000 -92.88223 -87.20230 5.67993 2.59741 -87.62046 1021.26757
1390.0000 -94.34931 -87.95403 6.39528 2.58930 -87.71538 1047.68529
1395.0000 -93.83635 -89.25910 4.57726 2.47411 -89.06260 953.11146
1400.0000 -93.28319 -88.67074 4.61245 2.48727 -88.90876 989.09219
1405.0000 -92.43040 -87.97899 4.45141 2.54799 -88.19853 1002.21306
1410.0000 -93.03097 -88.10333 4.92764 2.55721 -88.09074 998.86762
1415.0000 -92.93469 -87.28401 5.65068 2.62703 -87.27408 1063.10732
1420.0000 -93.29162 -88.11398 5.17764 2.56564 -87.99208 1000.66677
1425.0000 -92.83955 -87.08023 5.75932 2.62146 -87.33923 1049.29300
1430.0000 -91.84802 -86.53158 5.31644 2.68528 -86.59273 1128.28946
1435.0000 -92.08963 -86.52558 5.56405 2.70744 -86.33360 1134.72036
1440.0000 -90.99959 -85.54544 5.45415 2.73785 -85.97786 1118.52746
1445.0000 -91.20565 -86.33396 4.87169 2.74398 -85.90621 1133.38073
1450.0000 -93.85126 -86.12125 7.73002 2.72841 -86.08832 1173.12728
1455.0000 -92.99287 -87.59653 5.39633 2.66767 -86.79871 1135.49631
1460.0000 -93.28009 -87.63363 5.64646 2.61459 -87.41954 1059.36669
1465.0000 -92.08782 -86.14463 5.94319 2.74607 -85.88182 1170.62122
1470.0000 -93.33292 -87.51916 5.81376 2.70354 -86.37916 1147.83541
1475.0000 -92.60674 -87.04880 5.55794 2.58379 -87.77981 1063.97602
1480.0000 -91.80382 -86.88586 4.91796 2.64233 -87.09517 1068.87269
1485.0000 -92.27791 -87.57473 4.70318 2.60744 -87.50315 1051.55230
1490.0000 -92.36932 -87.12822 5.24111 2.62194 -87.33365 1040.26399
1495.0000 -92.48263 -87.49881 4.98382 2.57170 -87.92122 1022.77276
1500.0000 -94.16153 -88.71937 5.44216 2.56897 -87.95312 1046.52685
FREEZING PROCESS: loop number 7 T-loop= 1000.0000000000000
main_MD> interactions number 7 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12981 6.59398 7.02912
force_rgl> df(natom) 1.44377 4.15311 8.13628
1505.0000 -91.60762 -86.31162 5.29600 2.59623 -87.63435 1047.37324
1510.0000 -92.00840 -86.45328 5.55512 2.71870 -86.20195 1086.00009
1515.0000 -93.72059 -88.43610 5.28449 2.57129 -87.92596 996.89641
1520.0000 -92.28739 -88.11374 4.17365 2.52923 -88.41789 970.54692
1525.0000 -93.54216 -88.38637 5.15580 2.53592 -88.33969 980.15247
1530.0000 -92.17297 -87.68440 4.48856 2.52865 -88.42475 998.70263
1535.0000 -93.81940 -88.39190 5.42751 2.59176 -87.68663 1017.79227
1540.0000 -93.53119 -89.03517 4.49603 2.52573 -88.45891 991.61410
1545.0000 -94.45642 -89.48433 4.97209 2.45556 -89.27954 905.79655
1550.0000 -93.27758 -88.34669 4.93089 2.45265 -89.31360 920.40352
1555.0000 -94.12820 -88.80862 5.31958 2.48143 -88.97702 960.69059
1560.0000 -93.11923 -88.85194 4.26729 2.46677 -89.14844 916.98627
1565.0000 -94.41209 -89.32615 5.08594 2.48164 -88.97453 921.95117
1570.0000 -93.49518 -88.21289 5.28229 2.51077 -88.63382 988.18773
1575.0000 -93.07085 -88.54093 4.52992 2.52671 -88.44737 957.51701
1580.0000 -92.98137 -87.64842 5.33294 2.57931 -87.83225 1000.46811
1585.0000 -91.80215 -87.64188 4.16027 2.62021 -87.35388 1083.44935
1590.0000 -93.04424 -87.97431 5.06993 2.53596 -88.33927 916.90260
1595.0000 -93.71052 -87.72291 5.98761 2.57070 -87.93288 1015.86824
1600.0000 -93.84303 -88.50577 5.33726 2.49722 -88.79234 975.83628
1605.0000 -94.30082 -90.05853 4.24229 2.48193 -88.97120 966.55147
1610.0000 -94.15626 -89.38318 4.77308 2.37406 -90.23278 871.98326
1615.0000 -93.28316 -88.82248 4.46068 2.47241 -89.08257 897.65525
1620.0000 -93.87435 -89.82811 4.04624 2.41950 -89.70135 919.54436
1625.0000 -93.47965 -87.47561 6.00404 2.52938 -88.41622 1015.59024
1630.0000 -92.99359 -87.73456 5.25902 2.60956 -87.47844 1045.29954
1635.0000 -92.83410 -87.28458 5.54953 2.59139 -87.69087 1061.36511
1640.0000 -92.51651 -85.79429 6.72222 2.68195 -86.63175 1082.18153
1645.0000 -91.77857 -84.98191 6.79666 2.73741 -85.98304 1135.40834
1650.0000 -91.98944 -86.84910 5.14034 2.71349 -86.26285 1129.54432
1655.0000 -91.26523 -86.24593 5.01931 2.66637 -86.81394 1066.26727
1660.0000 -91.80029 -86.33508 5.46522 2.72065 -86.17903 1113.35284
1665.0000 -92.56597 -87.17956 5.38642 2.68101 -86.64267 1133.54993
1670.0000 -92.02603 -86.64406 5.38196 2.64972 -87.00864 1096.40348
1675.0000 -92.40756 -87.28696 5.12059 2.59327 -87.66894 1045.60158
1680.0000 -91.50246 -85.57781 5.92465 2.68379 -86.61017 1124.33235
1685.0000 -92.88583 -87.80702 5.07881 2.70904 -86.31487 1117.29792
1690.0000 -93.57947 -88.33152 5.24794 2.54893 -88.18759 972.30287
1695.0000 -94.03005 -88.60813 5.42192 2.52307 -88.49000 985.27210
1700.0000 -93.56837 -87.68548 5.88289 2.57991 -87.82516 1028.76980
1705.0000 -94.26678 -88.92722 5.33956 2.49569 -88.81018 965.54291
1710.0000 -93.33503 -87.68127 5.65376 2.54019 -88.28973 949.98437
1715.0000 -92.20827 -86.77231 5.43595 2.56645 -87.98258 1035.85545
1720.0000 -93.46266 -87.39723 6.06542 2.59602 -87.63673 1011.29422
1725.0000 -93.16851 -87.88631 5.28220 2.63938 -87.12957 1075.92713
1730.0000 -93.07363 -88.10049 4.97314 2.56795 -87.96504 1034.75946
1735.0000 -93.02896 -87.32742 5.70154 2.62167 -87.33678 1056.15732
1740.0000 -93.56337 -88.71700 4.84637 2.60663 -87.51265 1053.05199
1745.0000 -93.27064 -88.02580 5.24484 2.50559 -88.69449 966.93475
1750.0000 -94.06679 -89.14961 4.91717 2.54463 -88.23788 1008.49164
FREEZING PROCESS: loop number 8 T-loop= 975.00000000000000
main_MD> interactions number 8 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.47273 -0.68940 2.63079
force_rgl> df(natom) 0.81859 0.12036 2.04317
1755.0000 -93.76586 -88.97767 4.78819 2.45539 -89.28161 914.95826
1760.0000 -93.60519 -88.94671 4.65848 2.50311 -88.72340 952.50065
1765.0000 -93.48199 -88.90293 4.57907 2.40480 -89.87325 846.77104
1770.0000 -93.44329 -88.34876 5.09453 2.48395 -88.94758 952.65541
1775.0000 -94.34702 -89.19237 5.15465 2.50757 -88.67128 983.28783
1780.0000 -93.64623 -88.82508 4.82114 2.47773 -89.02029 987.71732
1785.0000 -94.47027 -88.74412 5.72615 2.51167 -88.62330 973.87468
1790.0000 -94.71607 -88.64970 6.06637 2.56412 -88.00992 938.63318
1795.0000 -92.07558 -86.59982 5.47576 2.53676 -88.32987 958.85329
1800.0000 -92.42265 -87.21340 5.20926 2.63189 -87.21728 1023.07199
1805.0000 -92.67462 -86.68475 5.98988 2.67386 -86.72632 1056.68322
1810.0000 -93.67611 -87.87138 5.80473 2.59203 -87.68339 1032.27581
1815.0000 -93.51538 -88.71123 4.80415 2.49494 -88.81895 957.27029
1820.0000 -93.64092 -88.58510 5.05582 2.57032 -87.93737 1019.67772
1825.0000 -94.80543 -89.99047 4.81496 2.46389 -89.18212 917.08090
1830.0000 -93.16574 -88.60189 4.56385 2.48399 -88.94712 959.11199
1835.0000 -92.91471 -86.91060 6.00411 2.59386 -87.66208 1005.85907
1840.0000 -92.88745 -86.58468 6.30277 2.71027 -86.30043 1157.62546
1845.0000 -91.85145 -85.95869 5.89275 2.66146 -86.87137 1039.64162
1850.0000 -93.13947 -87.10215 6.03732 2.65189 -86.98326 1075.10653
1855.0000 -92.73670 -87.56357 5.17313 2.61179 -87.45234 1026.78340
1860.0000 -93.74479 -88.70112 5.04367 2.53749 -88.32130 976.66696
1865.0000 -94.67917 -90.63034 4.04883 2.41573 -89.74549 908.59940
1870.0000 -94.67123 -89.21627 5.45496 2.41450 -89.75988 887.23873
1875.0000 -95.29522 -90.52574 4.76948 2.41104 -89.80031 910.29403
1880.0000 -95.81246 -91.39676 4.41570 2.26799 -91.47343 776.92367
1885.0000 -95.01386 -90.07117 4.94269 2.29841 -91.11766 839.91833
1890.0000 -93.85309 -89.53258 4.32052 2.44272 -89.42974 896.54348
1895.0000 -94.67230 -88.90064 5.77166 2.42366 -89.65275 923.95592
1900.0000 -93.32107 -88.54430 4.77677 2.55839 -88.07688 999.06759
1905.0000 -93.30135 -87.95502 5.34632 2.55299 -88.14010 1038.27898
1910.0000 -93.01560 -87.44681 5.56879 2.58974 -87.71017 1045.32232
1915.0000 -91.96849 -86.01861 5.94988 2.59764 -87.61782 1042.61491
1920.0000 -93.97834 -89.17373 4.80461 2.65129 -86.99034 1091.03342
1925.0000 -93.14710 -87.32934 5.81776 2.50390 -88.71420 970.11063
1930.0000 -92.80780 -87.96961 4.83820 2.60840 -87.49201 1064.39326
1935.0000 -93.37638 -88.85381 4.52257 2.50169 -88.74002 968.53591
1940.0000 -93.59384 -88.06206 5.53178 2.55058 -88.16820 1023.66088
1945.0000 -92.62028 -87.48582 5.13446 2.56524 -87.99681 1021.15131
1950.0000 -93.42798 -86.91524 6.51273 2.56949 -87.94705 1016.84150
1955.0000 -93.29095 -88.32427 4.96668 2.63561 -87.17374 1055.81351
1960.0000 -93.32714 -89.31867 4.00847 2.49068 -88.86886 939.94857
1965.0000 -93.97548 -89.70629 4.26919 2.43997 -89.46191 917.70026
1970.0000 -95.23042 -90.74479 4.48563 2.35951 -90.40299 863.67170
1975.0000 -94.44820 -89.85118 4.59702 2.33081 -90.73868 828.98791
1980.0000 -94.15033 -89.46261 4.68771 2.44500 -89.40310 898.29976
1985.0000 -93.29295 -88.57303 4.71993 2.48101 -88.98188 939.57495
1990.0000 -93.57030 -89.63172 3.93858 2.46115 -89.21418 897.72820
1995.0000 -93.22649 -89.28184 3.94465 2.49855 -88.77682 928.96231
2000.0000 -95.10090 -90.60997 4.49093 2.42871 -89.59361 924.20966
FREEZING PROCESS: loop number 9 T-loop= 950.00000000000000
main_MD> interactions number 9 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07765 -1.44621 -1.08027
force_rgl> df(natom) -0.20999 4.76238 -2.73386
2005.0000 -95.42928 -91.04423 4.38505 2.27790 -91.35751 787.40927
2010.0000 -95.73852 -90.94913 4.78939 2.28912 -91.22635 806.44968
2015.0000 -95.32670 -90.82184 4.50485 2.29944 -91.10558 818.14573
2020.0000 -95.53779 -91.56370 3.97409 2.29499 -91.15769 815.82854
2025.0000 -94.84481 -90.43752 4.40729 2.32336 -90.82581 825.65577
2030.0000 -94.06885 -88.72186 5.34699 2.36750 -90.30955 825.91675
2035.0000 -93.69757 -87.30627 6.39130 2.54269 -88.26050 964.08536
2040.0000 -92.24012 -86.08485 6.15527 2.59927 -87.59879 1013.56247
2045.0000 -92.96355 -87.54178 5.42177 2.63177 -87.21860 1074.60839
2050.0000 -92.94324 -87.56975 5.37349 2.54187 -88.27010 1015.85621
2055.0000 -93.04721 -87.80057 5.24663 2.59168 -87.68757 1009.31091
2060.0000 -93.39501 -88.06742 5.32759 2.54098 -88.28051 1004.40683
2065.0000 -92.20182 -86.64261 5.55920 2.56970 -87.94458 1017.03511
2070.0000 -94.05619 -88.68961 5.36658 2.57094 -87.93012 997.46260
2075.0000 -94.03170 -89.94393 4.08777 2.45319 -89.30737 931.01389
2080.0000 -94.56040 -90.49231 4.06809 2.35027 -90.51105 853.11524
2085.0000 -94.32933 -89.29757 5.03176 2.39133 -90.03087 855.51438
2090.0000 -95.11629 -90.84906 4.26723 2.36649 -90.32140 845.06305
2095.0000 -94.33242 -89.78106 4.55136 2.41479 -89.75643 894.28333
2100.0000 -95.15353 -91.17256 3.98096 2.29343 -91.17582 830.73616
2105.0000 -93.99557 -89.31661 4.67895 2.40655 -89.85281 894.35137
2110.0000 -95.16796 -90.80444 4.36353 2.30976 -90.98486 828.13317
2115.0000 -94.58147 -89.32048 5.26099 2.39438 -89.99519 898.08652
2120.0000 -93.67748 -89.32322 4.35426 2.47184 -89.08913 928.81864
2125.0000 -94.62607 -88.91315 5.71292 2.48699 -88.91196 934.18424
2130.0000 -95.61345 -90.23340 5.38006 2.43917 -89.47130 896.04168
2135.0000 -93.46503 -89.41109 4.05395 2.41084 -89.80267 909.70894
2140.0000 -93.09005 -87.72373 5.36632 2.52811 -88.43110 981.86966
2145.0000 -94.04015 -88.21608 5.82407 2.61299 -87.43833 1051.59477
2150.0000 -94.60633 -89.67034 4.93599 2.58294 -87.78978 1004.55373
2155.0000 -94.52234 -90.07949 4.44284 2.42881 -89.59246 889.95708
2160.0000 -94.32294 -90.86280 3.46014 2.35863 -90.41333 803.39602
2165.0000 -94.91689 -89.67144 5.24544 2.37881 -90.17726 817.55909
2170.0000 -93.35635 -88.81593 4.54042 2.43049 -89.57282 924.75546
2175.0000 -93.53436 -89.40975 4.12462 2.50122 -88.74556 953.61692
2180.0000 -94.08639 -90.38609 3.70030 2.38944 -90.05298 834.34333
2185.0000 -93.41260 -88.17035 5.24226 2.46783 -89.13612 902.00306
2190.0000 -94.99822 -89.23182 5.76640 2.60064 -87.58276 1050.88081
2195.0000 -93.26723 -89.05322 4.21401 2.51192 -88.62040 969.30440
2200.0000 -92.50797 -86.04293 6.46504 2.65507 -86.94609 1082.70529
2205.0000 -91.59701 -85.70637 5.89064 2.69964 -86.42486 1054.88627
2210.0000 -91.50344 -86.15378 5.34967 2.77556 -85.53683 1136.97819
2215.0000 -92.34844 -86.24181 6.10663 2.68688 -86.57408 1107.16179
2220.0000 -94.28639 -88.05746 6.22894 2.63911 -87.13273 1062.24798
2225.0000 -94.16405 -87.27495 6.88910 2.60018 -87.58807 1049.76518
2230.0000 -92.72188 -86.56927 6.15261 2.59634 -87.63303 1019.88544
2235.0000 -93.83557 -89.52824 4.30733 2.56463 -88.00395 997.24654
2240.0000 -95.69937 -88.92966 6.76971 2.44461 -89.40764 927.36200
2245.0000 -93.50053 -87.67744 5.82310 2.55515 -88.11480 1020.14684
2250.0000 -92.63063 -88.21527 4.41536 2.53151 -88.39128 959.56310
FREEZING PROCESS: loop number 10 T-loop= 925.00000000000000
main_MD> interactions number 10 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58495 -0.46264 -0.65256
force_rgl> df(natom) -2.69836 -1.91739 -0.98185
2255.0000 -93.51575 -88.24949 5.26626 2.59053 -87.70095 990.53109
2260.0000 -93.49173 -88.48512 5.00661 2.51136 -88.62695 928.45656
2265.0000 -93.38993 -89.15018 4.23975 2.46581 -89.15965 923.86346
2270.0000 -94.84882 -89.73678 5.11204 2.45017 -89.34259 929.54118
2275.0000 -93.40039 -88.34232 5.05807 2.47833 -89.01324 938.26229
2280.0000 -93.02999 -88.71724 4.31274 2.44064 -89.45408 938.97919
2285.0000 -94.01278 -89.17218 4.84060 2.46729 -89.14238 873.34325
2290.0000 -93.25550 -88.90402 4.35148 2.48389 -88.94820 960.07099
2295.0000 -94.24475 -88.94216 5.30259 2.48872 -88.89173 950.74975
2300.0000 -94.72870 -90.94032 3.78837 2.39325 -90.00835 880.59746
2305.0000 -93.85240 -89.39332 4.45908 2.36104 -90.38505 819.28638
2310.0000 -93.90942 -88.85554 5.05388 2.42999 -89.57872 921.16590
2315.0000 -92.34468 -88.08343 4.26125 2.48744 -88.90677 912.83403
2320.0000 -93.08773 -87.36991 5.71782 2.59955 -87.59547 1025.54697
2325.0000 -93.64981 -88.92681 4.72300 2.54922 -88.18414 1011.44932
2330.0000 -93.29887 -88.26087 5.03799 2.54587 -88.22330 988.27566
2335.0000 -94.43156 -90.69137 3.74019 2.42544 -89.63189 945.17790
2340.0000 -94.16881 -89.32115 4.84766 2.39746 -89.95909 873.73880
2345.0000 -95.04592 -90.79848 4.24744 2.32671 -90.78664 799.92883
2350.0000 -94.54540 -89.41921 5.12619 2.44621 -89.38890 932.26471
2355.0000 -93.02069 -88.01479 5.00590 2.51424 -88.59322 977.61919
2360.0000 -92.61397 -87.86463 4.74935 2.53426 -88.35916 992.89959
2365.0000 -93.41408 -88.91001 4.50407 2.49461 -88.82288 932.62553
2370.0000 -94.13427 -89.62725 4.50702 2.46031 -89.22405 911.74772
2375.0000 -93.81722 -89.16706 4.65017 2.44195 -89.43881 906.24154
2380.0000 -93.58042 -89.22699 4.35343 2.43796 -89.48547 890.87705
2385.0000 -92.82520 -87.84354 4.98167 2.59688 -87.62665 1030.88829
2390.0000 -94.73624 -90.46527 4.27097 2.44320 -89.42418 915.48871
2395.0000 -92.81952 -88.56098 4.25854 2.46216 -89.20237 945.81574
2400.0000 -94.33547 -89.84418 4.49129 2.41929 -89.70387 905.31461
2405.0000 -95.02772 -89.33092 5.69680 2.42154 -89.67746 902.91368
2410.0000 -93.17889 -88.20435 4.97453 2.50785 -88.66801 979.31909
2415.0000 -93.12351 -88.64708 4.47643 2.57959 -87.82897 1022.09051
2420.0000 -93.33681 -88.46275 4.87405 2.52800 -88.43229 993.34153
2425.0000 -93.48976 -90.27067 3.21909 2.42850 -89.59614 882.61573
2430.0000 -92.87894 -87.62173 5.25721 2.45354 -89.30319 916.12306
2435.0000 -94.60031 -89.10490 5.49541 2.50475 -88.70425 974.56338
2440.0000 -94.95009 -89.99218 4.95791 2.41432 -89.76199 915.61865
2445.0000 -94.15709 -89.94845 4.20864 2.40349 -89.88861 877.61291
2450.0000 -95.79270 -90.58966 5.20304 2.39893 -89.94196 925.89584
2455.0000 -94.65611 -90.09815 4.55796 2.35198 -90.49104 859.02407
2460.0000 -94.42387 -90.23734 4.18654 2.46382 -89.18301 937.14571
2465.0000 -93.80153 -89.14234 4.65920 2.46370 -89.18436 939.19018
2470.0000 -93.41107 -90.09444 3.31664 2.35762 -90.42510 836.10670
2475.0000 -94.72354 -90.26925 4.45429 2.39556 -89.98135 858.11032
2480.0000 -95.24636 -90.61907 4.62729 2.29731 -91.13049 774.14456
2485.0000 -94.23214 -90.08781 4.14433 2.38864 -90.06233 882.96692
2490.0000 -94.39120 -89.66588 4.72532 2.43507 -89.51921 904.81203
2495.0000 -95.40064 -91.08021 4.32043 2.38725 -90.07857 832.91428
2500.0000 -95.24697 -91.27179 3.97518 2.31935 -90.87270 811.76294
FREEZING PROCESS: loop number 11 T-loop= 900.00000000000000
main_MD> interactions number 11 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73760 0.47839 1.55332
force_rgl> df(natom) -3.62050 -2.26463 -1.77541
2505.0000 -94.90782 -90.29936 4.60847 2.31886 -90.87845 810.58554
2510.0000 -93.71142 -88.74623 4.96520 2.41528 -89.75070 894.37485
2515.0000 -94.00202 -89.16213 4.83989 2.48347 -88.95319 943.39223
2520.0000 -94.84734 -89.91493 4.93240 2.41919 -89.70496 922.93797
2525.0000 -95.74191 -90.84996 4.89194 2.36681 -90.31759 876.89398
2530.0000 -94.78010 -91.09095 3.68915 2.32974 -90.75124 813.55822
2535.0000 -94.67420 -90.48906 4.18514 2.38057 -90.15673 862.31884
2540.0000 -94.03686 -89.93776 4.09910 2.39947 -89.93561 868.77350
2545.0000 -94.69075 -89.87050 4.82025 2.42241 -89.66737 924.12951
2550.0000 -93.02689 -87.97381 5.05307 2.51146 -88.62583 955.55128
2555.0000 -93.36359 -88.75051 4.61308 2.53264 -88.37811 979.20273
2560.0000 -95.04814 -90.51871 4.52943 2.40893 -89.82494 877.62742
2565.0000 -95.41387 -90.76307 4.65080 2.31284 -90.94882 797.41698
2570.0000 -93.63931 -89.28053 4.35877 2.35270 -90.48264 860.48932
2575.0000 -94.54472 -88.41197 6.13276 2.55647 -88.09931 997.84165
2580.0000 -94.91316 -90.55433 4.35882 2.44787 -89.36958 905.94499
2585.0000 -92.88433 -88.38760 4.49673 2.46084 -89.21790 932.56148
2590.0000 -94.00231 -89.09819 4.90412 2.49886 -88.77312 954.58719
2595.0000 -95.34813 -91.10636 4.24177 2.41956 -89.70063 914.86662
2600.0000 -94.46137 -90.07220 4.38918 2.37345 -90.23991 852.35199
2605.0000 -95.66787 -89.95389 5.71398 2.39302 -90.01109 880.17986
2610.0000 -93.41233 -88.50224 4.91009 2.47941 -89.00066 962.03908
2615.0000 -94.04981 -89.18579 4.86402 2.53767 -88.31927 963.92173
2620.0000 -94.23548 -89.44087 4.79462 2.50314 -88.72309 961.22574
2625.0000 -94.23016 -89.80029 4.42987 2.45992 -89.22862 926.02885
2630.0000 -94.84247 -90.82059 4.02189 2.34646 -90.55563 843.34337
2635.0000 -95.66293 -91.06557 4.59736 2.30541 -91.03572 820.12555
2640.0000 -94.38291 -89.69578 4.68712 2.37830 -90.18324 855.06606
2645.0000 -94.66830 -90.37503 4.29327 2.41324 -89.77454 862.42649
2650.0000 -93.57138 -89.57847 3.99291 2.41353 -89.77114 889.80243
2655.0000 -94.40251 -89.67626 4.72625 2.41986 -89.69712 890.78447
2660.0000 -95.13890 -90.59784 4.54106 2.38433 -90.11274 890.63412
2665.0000 -94.57158 -90.09693 4.47465 2.37279 -90.24773 893.94410
2670.0000 -93.88456 -89.27218 4.61238 2.38124 -90.14884 834.47310
2675.0000 -94.03911 -88.98275 5.05636 2.44755 -89.37329 918.54370
2680.0000 -93.19671 -89.06216 4.13454 2.50228 -88.73318 985.91169
2685.0000 -93.86302 -89.09700 4.76602 2.49669 -88.79848 878.62390
2690.0000 -94.81488 -89.72664 5.08824 2.36594 -90.32782 825.46364
2695.0000 -93.94024 -88.93202 5.00822 2.51131 -88.62750 950.61532
2700.0000 -94.03199 -88.74597 5.28602 2.50174 -88.73942 943.53299
2705.0000 -94.15960 -89.62607 4.53354 2.46040 -89.22301 940.90116
2710.0000 -93.90926 -90.23459 3.67467 2.35563 -90.44834 831.56714
2715.0000 -94.19721 -89.90284 4.29437 2.41883 -89.70917 922.31116
2720.0000 -94.80338 -90.32943 4.47395 2.37369 -90.23721 841.36625
2725.0000 -94.93162 -89.78864 5.14297 2.43534 -89.51609 886.60097
2730.0000 -92.79385 -89.17385 3.62001 2.46824 -89.13133 910.92206
2735.0000 -92.97921 -88.48685 4.49235 2.53861 -88.30827 967.80522
2740.0000 -94.40951 -90.38320 4.02632 2.43810 -89.48379 932.26295
2745.0000 -94.98808 -89.75125 5.23683 2.36840 -90.29905 867.15889
2750.0000 -94.91778 -90.20164 4.71614 2.41472 -89.75729 925.11727
FREEZING PROCESS: loop number 12 T-loop= 875.00000000000000
main_MD> interactions number 12 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.04021 -1.25340 -1.58964
force_rgl> df(natom) -1.26423 2.16128 1.32054
2755.0000 -95.27958 -91.66176 3.61782 2.30943 -90.98874 784.62872
2760.0000 -96.30252 -92.63328 3.66924 2.22950 -91.92363 764.79297
2765.0000 -94.04125 -90.43161 3.60964 2.29583 -91.14781 794.34506
2770.0000 -95.56363 -90.90016 4.66348 2.39482 -89.99000 880.76141
2775.0000 -95.36117 -91.39132 3.96984 2.29094 -91.20495 812.51065
2780.0000 -92.18629 -88.24303 3.94327 2.45514 -89.28455 910.15025
2785.0000 -94.10962 -89.45632 4.65330 2.49728 -88.79158 958.61907
2790.0000 -95.54948 -91.24539 4.30409 2.44581 -89.39366 932.66138
2795.0000 -95.16431 -91.92638 3.23793 2.30259 -91.06875 815.47770
2800.0000 -95.15758 -91.32021 3.83738 2.19806 -92.29137 733.59815
2805.0000 -94.66231 -89.02014 5.64217 2.33173 -90.72788 827.88215
2810.0000 -93.79019 -88.66531 5.12488 2.48733 -88.90796 960.94843
2815.0000 -93.60399 -89.33292 4.27107 2.49292 -88.84266 953.88656
2820.0000 -93.47343 -89.90328 3.57015 2.41617 -89.74034 883.34466
2825.0000 -94.46292 -89.77698 4.68594 2.41149 -89.79508 885.21132
2830.0000 -93.90990 -89.54704 4.36286 2.41123 -89.79810 877.22575
2835.0000 -94.41472 -90.19166 4.22306 2.38903 -90.05770 844.28053
2840.0000 -94.01994 -90.52058 3.49935 2.36362 -90.35495 818.89039
2845.0000 -93.84944 -89.14831 4.70113 2.38768 -90.07354 866.80322
2850.0000 -93.05488 -88.61456 4.44031 2.47399 -89.06404 929.42120
2855.0000 -95.24557 -90.99758 4.24799 2.42594 -89.62607 883.75441
2860.0000 -95.06078 -90.50401 4.55677 2.33945 -90.63768 825.18059
2865.0000 -93.81748 -90.53322 3.28425 2.29372 -91.17253 786.59544
2870.0000 -94.74653 -89.59607 5.15046 2.40425 -89.87974 846.45886
2875.0000 -94.56608 -89.13167 5.43440 2.47596 -89.04100 951.21834
2880.0000 -94.92885 -89.18984 5.73901 2.46544 -89.16398 961.99870
2885.0000 -94.68465 -90.27053 4.41412 2.51787 -88.55085 1028.07151
2890.0000 -95.44807 -90.29581 5.15226 2.34001 -90.63105 844.05300
2895.0000 -93.98214 -90.08714 3.89501 2.44426 -89.41174 922.12240
2900.0000 -93.79924 -89.67217 4.12706 2.38490 -90.10609 902.51890
2905.0000 -94.17828 -89.96844 4.20984 2.46139 -89.21146 903.50970
2910.0000 -93.71837 -89.50484 4.21352 2.45121 -89.33047 931.20847
2915.0000 -93.65364 -88.97129 4.68235 2.48842 -88.89528 962.70496
2920.0000 -92.93227 -89.09602 3.83625 2.47008 -89.10977 922.97894
2925.0000 -93.61449 -88.60765 5.00684 2.49180 -88.85571 938.80460
2930.0000 -93.48690 -88.71327 4.77362 2.48078 -88.98467 944.53593
2935.0000 -93.73230 -86.90779 6.82452 2.60392 -87.54434 1010.44481
2940.0000 -92.47617 -87.70662 4.76955 2.62222 -87.33036 1079.47452
2945.0000 -94.13736 -89.09333 5.04403 2.57660 -87.86391 1012.22141
2950.0000 -94.97732 -91.64029 3.33703 2.38249 -90.13424 831.66165
2955.0000 -94.78361 -89.92320 4.86041 2.33549 -90.68395 805.33281
2960.0000 -93.87055 -90.10526 3.76529 2.37979 -90.16587 846.91008
2965.0000 -94.46152 -90.04230 4.41922 2.37370 -90.23703 877.94747
2970.0000 -95.07235 -89.60070 5.47164 2.44177 -89.44089 884.74500
2975.0000 -94.90558 -90.21393 4.69164 2.34462 -90.57720 836.37253
2980.0000 -93.67499 -89.68488 3.99011 2.40247 -89.90051 904.09953
2985.0000 -94.42199 -89.39385 5.02814 2.44329 -89.42310 886.80248
2990.0000 -93.98733 -91.01029 2.97704 2.39613 -89.97468 847.75282
2995.0000 -94.61216 -90.05065 4.56150 2.39180 -90.02532 872.48012
3000.0000 -94.12631 -88.52376 5.60255 2.48166 -88.97435 951.42771
FREEZING PROCESS: loop number 13 T-loop= 850.00000000000000
main_MD> interactions number 13 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.62978 2.89419 -2.06569
force_rgl> df(natom) 1.52953 0.27445 0.31261
3005.0000 -94.66062 -89.93513 4.72549 2.48175 -88.97331 960.31497
3010.0000 -94.67602 -89.92386 4.75215 2.40615 -89.85750 866.05012
3015.0000 -94.86512 -90.37123 4.49389 2.36500 -90.33877 879.00146
3020.0000 -94.21929 -90.16917 4.05012 2.41401 -89.76557 884.25928
3025.0000 -94.49373 -90.12431 4.36942 2.36980 -90.28262 859.41831
3030.0000 -94.43921 -89.53605 4.90316 2.40596 -89.85974 901.00262
3035.0000 -93.91704 -89.63827 4.27878 2.45085 -89.33471 882.32748
3040.0000 -93.30587 -88.66370 4.64218 2.47891 -89.00651 950.24771
3045.0000 -95.11877 -90.52013 4.59864 2.41168 -89.79280 883.54049
3050.0000 -95.42450 -91.26937 4.15513 2.30618 -91.02677 807.40591
3055.0000 -93.54736 -89.55811 3.98925 2.40198 -89.90626 854.96320
3060.0000 -93.66256 -88.13128 5.53128 2.46685 -89.14755 907.86766
3065.0000 -95.12063 -90.00911 5.11152 2.49190 -88.85459 949.11531
3070.0000 -93.15282 -88.67294 4.47988 2.42183 -89.67415 950.27736
3075.0000 -94.20047 -88.74582 5.45465 2.47188 -89.08877 916.79532
3080.0000 -95.12782 -90.68703 4.44079 2.38703 -90.08117 877.59466
3085.0000 -95.45999 -90.71155 4.74844 2.37298 -90.24544 858.14148
3090.0000 -93.87212 -89.65281 4.21930 2.36819 -90.30154 893.18125
3095.0000 -95.31314 -92.06673 3.24642 2.30218 -91.07350 801.68588
3100.0000 -96.04357 -92.69130 3.35227 2.23039 -91.91323 709.36488
3105.0000 -94.71841 -90.48101 4.23740 2.29719 -91.13186 790.51126
3110.0000 -95.94363 -91.99424 3.94939 2.30257 -91.06898 800.65770
3115.0000 -96.09948 -92.96247 3.13701 2.18690 -92.42181 728.04637
3120.0000 -93.72686 -89.93592 3.79094 2.23478 -91.86182 770.40622
3125.0000 -95.24236 -91.21672 4.02564 2.35617 -90.44203 848.14722
3130.0000 -95.80041 -92.15307 3.64734 2.21003 -92.15137 677.69087
3135.0000 -94.81699 -90.36286 4.45412 2.26576 -91.49946 809.90089
3140.0000 -95.26117 -90.89644 4.36473 2.36189 -90.37514 852.91157
3145.0000 -94.25750 -90.18623 4.07126 2.35771 -90.42409 826.00653
3150.0000 -94.38920 -89.81715 4.57205 2.40324 -89.89151 872.96984
3155.0000 -94.46274 -89.69570 4.76704 2.41309 -89.77628 876.50340
3160.0000 -94.88490 -91.07967 3.80522 2.37354 -90.23889 893.25537
3165.0000 -94.38342 -90.14598 4.23744 2.32193 -90.84251 850.66161
3170.0000 -95.13616 -90.65837 4.47779 2.34050 -90.62536 848.21917
3175.0000 -94.34979 -90.76367 3.58612 2.32876 -90.76263 834.44197
3180.0000 -94.07309 -89.70871 4.36438 2.38581 -90.09538 872.97939
3185.0000 -93.89708 -89.63112 4.26596 2.44182 -89.44024 904.18105
3190.0000 -93.66570 -89.32769 4.33801 2.43524 -89.51731 897.48519
3195.0000 -95.00601 -88.48472 6.52129 2.45508 -89.28522 943.28229
3200.0000 -95.03373 -90.45597 4.57776 2.46451 -89.17492 930.03737
3205.0000 -93.78852 -90.06788 3.72065 2.36013 -90.39571 837.47601
3210.0000 -95.16137 -91.42050 3.74087 2.37760 -90.19138 858.98225
3215.0000 -95.28754 -91.15612 4.13141 2.28912 -91.22623 803.73843
3220.0000 -94.87667 -90.20532 4.67135 2.37646 -90.20478 912.05341
3225.0000 -94.63344 -90.16289 4.47056 2.37841 -90.18200 858.33560
3230.0000 -93.65674 -89.93501 3.72173 2.43929 -89.46993 932.02003
3235.0000 -94.54061 -90.81933 3.72128 2.37705 -90.19783 848.09135
3240.0000 -95.49629 -92.23635 3.25994 2.19260 -92.35524 722.16535
3245.0000 -94.69440 -89.70664 4.98775 2.31269 -90.95062 840.40950
3250.0000 -94.72918 -91.10996 3.61922 2.37600 -90.21012 882.25600
FREEZING PROCESS: loop number 14 T-loop= 825.00000000000000
main_MD> interactions number 14 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.60731 1.91648 -4.16814
force_rgl> df(natom) -0.95746 2.54496 -0.75431
3255.0000 -95.93748 -91.94571 3.99177 2.27190 -91.42774 761.12247
3260.0000 -94.62686 -91.37107 3.25578 2.28473 -91.27759 770.93957
3265.0000 -95.13916 -90.85974 4.27943 2.26933 -91.45779 763.30128
3270.0000 -93.83438 -89.19874 4.63564 2.41464 -89.75818 879.20378
3275.0000 -95.36555 -91.15566 4.20989 2.34439 -90.57982 820.32916
3280.0000 -95.02463 -91.00606 4.01856 2.34246 -90.60246 840.06525
3285.0000 -95.41856 -91.76172 3.65683 2.31006 -90.98132 800.54452
3290.0000 -94.90327 -90.58003 4.32324 2.29924 -91.10788 803.38147
3295.0000 -94.98895 -90.97670 4.01225 2.34108 -90.61855 856.31277
3300.0000 -95.92147 -92.08883 3.83264 2.28009 -91.33194 784.66156
3305.0000 -95.16113 -90.39141 4.76971 2.34273 -90.59923 863.35184
3310.0000 -94.49868 -90.23505 4.26363 2.33226 -90.72171 860.37986
3315.0000 -95.03306 -91.14113 3.89193 2.30076 -91.09011 808.67843
3320.0000 -94.36452 -90.55220 3.81232 2.26619 -91.49447 776.82365
3325.0000 -94.61134 -89.48435 5.12699 2.41644 -89.73711 896.11043
3330.0000 -94.43527 -90.55898 3.87629 2.36743 -90.31034 849.29720
3335.0000 -95.26874 -91.36788 3.90086 2.28430 -91.28266 785.19478
3340.0000 -95.15404 -91.01095 4.14309 2.26773 -91.47645 764.91853
3345.0000 -94.61007 -90.25411 4.35596 2.33254 -90.71849 842.73922
3350.0000 -94.51843 -89.91737 4.60106 2.41675 -89.73352 844.78749
3355.0000 -94.65989 -90.20025 4.45965 2.33831 -90.65091 824.31159
3360.0000 -94.50583 -89.55556 4.95027 2.42615 -89.62361 898.89114
3365.0000 -94.54480 -89.12880 5.41600 2.45187 -89.32273 891.67258
3370.0000 -93.10708 -87.31207 5.79501 2.52566 -88.45973 978.95145
3375.0000 -93.23495 -89.06334 4.17161 2.50023 -88.75708 922.20857
3380.0000 -94.73473 -90.47269 4.26203 2.43742 -89.49171 881.27054
3385.0000 -94.27508 -89.53791 4.73717 2.42574 -89.62842 925.48671
3390.0000 -94.55967 -90.21166 4.34801 2.39262 -90.01576 870.28401
3395.0000 -94.20256 -90.14138 4.06118 2.36892 -90.29290 813.24533
3400.0000 -94.92723 -90.75039 4.17684 2.31597 -90.91220 794.33309
3405.0000 -94.77862 -89.53594 5.24268 2.35168 -90.49456 878.67836
3410.0000 -95.00757 -90.87447 4.13310 2.35300 -90.47914 818.83692
3415.0000 -94.07176 -89.91027 4.16149 2.33678 -90.66889 801.39608
3420.0000 -94.35590 -89.96173 4.39417 2.37738 -90.19395 809.85044
3425.0000 -95.18309 -90.50069 4.68239 2.30634 -91.02486 780.88129
3430.0000 -93.85602 -90.76834 3.08769 2.35520 -90.45337 854.26089
3435.0000 -95.50476 -90.58004 4.92472 2.30650 -91.02297 784.12221
3440.0000 -95.46202 -90.35667 5.10534 2.39324 -90.00846 881.72005
3445.0000 -95.39542 -91.09667 4.29876 2.35371 -90.47084 818.55917
3450.0000 -94.86004 -90.69041 4.16963 2.31473 -90.92679 842.76387
3455.0000 -94.66494 -90.84256 3.82238 2.32829 -90.76821 823.75489
3460.0000 -95.09160 -90.63431 4.45729 2.33417 -90.69935 838.44403
3465.0000 -94.32407 -89.83886 4.48521 2.35197 -90.49114 840.49807
3470.0000 -94.88284 -90.15503 4.72781 2.37778 -90.18930 880.69344
3475.0000 -96.14368 -91.35909 4.78459 2.29111 -91.20300 816.80422
3480.0000 -95.43406 -91.45518 3.97888 2.24630 -91.72712 771.34658
3485.0000 -95.50933 -91.03091 4.47842 2.31113 -90.96880 825.11237
3490.0000 -94.99990 -91.37126 3.62864 2.30139 -91.08273 793.56686
3495.0000 -95.25474 -90.93845 4.31629 2.37494 -90.22255 860.80236
3500.0000 -95.37613 -91.41697 3.95915 2.28542 -91.26954 778.48843
FREEZING PROCESS: loop number 15 T-loop= 800.00000000000000
main_MD> interactions number 15 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46136 2.15262 2.24225
force_rgl> df(natom) 1.64651 -0.98134 -0.32746
3505.0000 -95.75112 -91.51548 4.23564 2.28288 -91.29923 785.62944
3510.0000 -95.12788 -90.75626 4.37162 2.30051 -91.09308 780.78651
3515.0000 -95.78031 -91.59292 4.18739 2.31644 -90.90673 863.24082
3520.0000 -96.21777 -92.12994 4.08783 2.20279 -92.23599 736.96632
3525.0000 -95.85351 -91.85322 4.00029 2.19796 -92.29250 731.44183
3530.0000 -95.94620 -92.24746 3.69874 2.22172 -92.01458 747.18080
3535.0000 -96.33099 -92.17495 4.15604 2.26041 -91.56203 778.01009
3540.0000 -95.23767 -91.23120 4.00646 2.25398 -91.63731 760.77932
3545.0000 -95.52526 -91.95387 3.57139 2.31168 -90.96239 768.09098
3550.0000 -96.05864 -92.03443 4.02422 2.23592 -91.84849 744.27710
3555.0000 -95.47779 -90.16906 5.30873 2.30815 -91.00371 799.80084
3560.0000 -95.31172 -91.69588 3.61584 2.34327 -90.59295 833.09572
3565.0000 -95.57236 -91.55804 4.01432 2.28253 -91.30339 774.19941
3570.0000 -94.90478 -90.86847 4.03631 2.23972 -91.80409 720.05842
3575.0000 -95.63319 -91.25302 4.38017 2.28366 -91.29014 771.73113
3580.0000 -95.74696 -90.97250 4.77446 2.31465 -90.92773 830.66030
3585.0000 -95.50675 -91.91610 3.59065 2.29968 -91.10277 784.96570
3590.0000 -96.85606 -92.49775 4.35832 2.19744 -92.29856 734.17419
3595.0000 -95.02060 -91.16836 3.85224 2.23793 -91.82506 768.70560
3600.0000 -94.85043 -90.69271 4.15773 2.32503 -90.80623 803.73065
3605.0000 -94.85469 -90.78181 4.07288 2.35802 -90.42040 867.06337
3610.0000 -96.05909 -91.93057 4.12852 2.32273 -90.83315 861.54635
3615.0000 -95.66224 -91.52433 4.13791 2.25448 -91.63143 786.07319
3620.0000 -95.15207 -91.17634 3.97574 2.30065 -91.09142 802.11576
3625.0000 -95.70854 -92.42025 3.28829 2.27000 -91.44992 774.45597
3630.0000 -95.18155 -91.37769 3.80386 2.23272 -91.88597 740.14935
3635.0000 -95.84083 -91.05190 4.78893 2.30982 -90.98419 788.64995
3640.0000 -95.30314 -89.96876 5.33438 2.33761 -90.65914 820.11168
3645.0000 -94.62312 -90.30900 4.31412 2.38872 -90.06136 881.97764
3650.0000 -94.80999 -89.23804 5.57196 2.42215 -89.67035 901.86951
3655.0000 -95.38945 -91.29779 4.09167 2.34280 -90.59841 820.03678
3660.0000 -95.32438 -91.14428 4.18009 2.28288 -91.29923 830.46929
3665.0000 -95.31487 -90.76372 4.55115 2.30443 -91.04726 776.54441
3670.0000 -94.25858 -90.59699 3.66160 2.31295 -90.94761 764.95314
3675.0000 -94.41733 -90.39859 4.01874 2.36744 -90.31020 827.55323
3680.0000 -94.25534 -89.90931 4.34603 2.38033 -90.15946 843.82135
3685.0000 -94.72669 -90.06589 4.66080 2.38433 -90.11266 868.53705
3690.0000 -95.11558 -89.47327 5.64231 2.37952 -90.16894 855.66379
3695.0000 -93.94202 -89.25510 4.68692 2.40960 -89.81710 878.60280
3700.0000 -94.64412 -88.42268 6.22144 2.48193 -88.97122 907.80986
3705.0000 -95.26712 -90.66579 4.60133 2.45974 -89.23067 872.06988
3710.0000 -94.24907 -89.29775 4.95132 2.40298 -89.89454 830.87238
3715.0000 -95.31232 -90.68437 4.62795 2.34762 -90.54207 793.88714
3720.0000 -96.01451 -91.73353 4.28098 2.30162 -91.08014 801.45399
3725.0000 -94.75844 -90.31091 4.44753 2.28918 -91.22562 787.78631
3730.0000 -94.30229 -90.03157 4.27072 2.43039 -89.57404 886.41287
3735.0000 -94.32158 -90.14389 4.17769 2.43413 -89.53021 852.04205
3740.0000 -95.06098 -90.14948 4.91150 2.36114 -90.38392 840.51838
3745.0000 -94.46541 -90.16937 4.29604 2.32967 -90.75198 807.02377
3750.0000 -93.79281 -89.92996 3.86285 2.34121 -90.61701 827.08884
FREEZING PROCESS: loop number 16 T-loop= 775.00000000000000
main_MD> interactions number 16 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.40372 -0.32847 -0.06072
force_rgl> df(natom) 0.90546 2.81310 -0.77414
3755.0000 -95.01596 -90.83626 4.17970 2.32334 -90.82600 809.96848
3760.0000 -94.77065 -89.93680 4.83384 2.32960 -90.75281 805.82306
3765.0000 -94.50711 -90.96273 3.54438 2.34006 -90.63047 856.61578
3770.0000 -94.62005 -90.29491 4.32514 2.31738 -90.89581 838.77967
3775.0000 -93.90601 -90.40394 3.50207 2.31144 -90.96520 814.94955
3780.0000 -94.40413 -89.98548 4.41864 2.38049 -90.15764 830.23757
3785.0000 -94.68770 -90.60967 4.07803 2.37693 -90.19922 867.30402
3790.0000 -94.65337 -90.60632 4.04704 2.40792 -89.83683 868.68712
3795.0000 -95.73963 -91.84049 3.89914 2.27521 -91.38896 787.70742
3800.0000 -94.86638 -91.28279 3.58359 2.23151 -91.90013 751.20184
3805.0000 -94.76030 -90.53234 4.22796 2.28134 -91.31729 817.31269
3810.0000 -95.64086 -91.65796 3.98291 2.29283 -91.18289 775.37310
3815.0000 -94.74198 -90.70177 4.04021 2.32271 -90.83343 798.98540
3820.0000 -94.34521 -90.76575 3.57946 2.32262 -90.83450 795.47059
3825.0000 -94.96472 -90.97390 3.99081 2.34336 -90.59186 837.31040
3830.0000 -96.05138 -92.09396 3.95742 2.25408 -91.63609 744.38288
3835.0000 -95.89941 -91.51223 4.38718 2.22905 -91.92887 760.99419
3840.0000 -95.03823 -90.49423 4.54400 2.27842 -91.35149 824.69972
3845.0000 -95.74342 -91.22853 4.51489 2.31459 -90.92834 823.07940
3850.0000 -95.26408 -91.37003 3.89405 2.25702 -91.60176 768.73569
3855.0000 -95.75967 -91.73012 4.02955 2.21691 -92.07089 751.57453
3860.0000 -95.91496 -92.02882 3.88615 2.21554 -92.08686 754.05887
3865.0000 -95.18611 -91.06318 4.12293 2.24204 -91.77699 776.32060
3870.0000 -95.67813 -92.16532 3.51282 2.26098 -91.55537 732.60381
3875.0000 -95.40380 -90.97670 4.42710 2.29622 -91.14328 839.07930
3880.0000 -95.36737 -91.67154 3.69583 2.25625 -91.61078 789.67261
3885.0000 -95.09728 -91.23727 3.86001 2.26834 -91.46939 775.48440
3890.0000 -95.91676 -92.22124 3.69553 2.24991 -91.68488 750.47743
3895.0000 -95.08159 -90.43178 4.64981 2.23863 -91.81680 745.94763
3900.0000 -95.07568 -90.54896 4.52672 2.35227 -90.48774 828.43447
3905.0000 -96.07806 -92.50975 3.56831 2.24547 -91.73677 753.95873
3910.0000 -96.17001 -91.66815 4.50186 2.13716 -93.00363 683.01334
3915.0000 -96.61374 -92.86992 3.74382 2.22925 -91.92648 774.89713
3920.0000 -96.70041 -92.46746 4.23295 2.16262 -92.70578 702.61959
3925.0000 -95.01234 -91.75492 3.25742 2.24244 -91.77221 725.22329
3930.0000 -94.28059 -89.89571 4.38489 2.32286 -90.83171 772.52646
3935.0000 -93.44738 -88.67201 4.77537 2.39881 -89.94331 891.97191
3940.0000 -95.09474 -91.14609 3.94865 2.40739 -89.84305 885.59950
3945.0000 -96.45916 -93.58086 2.87830 2.24226 -91.77434 725.10318
3950.0000 -94.81915 -91.16366 3.65549 2.22251 -92.00533 723.50039
3955.0000 -95.60859 -91.18484 4.42375 2.20728 -92.18354 732.88076
3960.0000 -94.52110 -91.19564 3.32546 2.31459 -90.92835 829.55461
3965.0000 -94.99280 -90.59136 4.40145 2.33386 -90.70305 840.00257
3970.0000 -95.24946 -91.56039 3.68907 2.27014 -91.44830 787.86280
3975.0000 -95.61122 -90.85286 4.75836 2.32120 -90.85106 837.28297
3980.0000 -95.43063 -92.01223 3.41840 2.26068 -91.55889 737.51505
3985.0000 -95.60695 -91.39004 4.21691 2.19010 -92.38447 690.60599
3990.0000 -96.10265 -92.87057 3.23208 2.20932 -92.15960 705.38616
3995.0000 -96.46966 -93.00979 3.45988 2.16148 -92.71913 662.44195
4000.0000 -95.02843 -91.64839 3.38005 2.20519 -92.20792 704.90290
FREEZING PROCESS: loop number 17 T-loop= 750.00000000000000
main_MD> interactions number 17 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03408 -2.59792 -1.51935
force_rgl> df(natom) 1.99940 2.31999 2.37673
4005.0000 -94.90670 -90.54578 4.36092 2.31327 -90.94381 775.11150
4010.0000 -94.52329 -90.18989 4.33339 2.40245 -89.90083 883.53129
4015.0000 -96.20487 -91.61271 4.59216 2.32083 -90.85544 806.35691
4020.0000 -95.82806 -92.30388 3.52418 2.21007 -92.15085 772.83475
4025.0000 -94.72754 -90.73477 3.99278 2.27497 -91.39182 748.44473
4030.0000 -94.77958 -90.60122 4.17837 2.30621 -91.02637 798.24651
4035.0000 -95.47756 -91.58436 3.89320 2.31834 -90.88449 771.23254
4040.0000 -96.29896 -92.18703 4.11193 2.23299 -91.88280 742.34448
4045.0000 -95.51212 -91.28003 4.23209 2.24670 -91.72240 752.22262
4050.0000 -95.98781 -91.98824 3.99957 2.23911 -91.81116 750.37879
4055.0000 -97.24167 -93.54750 3.69416 2.10878 -93.33556 602.25369
4060.0000 -95.64429 -91.50094 4.14335 2.17394 -92.57345 696.95884
4065.0000 -96.14206 -91.82926 4.31280 2.26449 -91.51438 776.81790
4070.0000 -96.02497 -93.43228 2.59269 2.17667 -92.54150 711.51776
4075.0000 -96.07240 -93.05372 3.01867 2.15348 -92.81276 683.99518
4080.0000 -95.46114 -91.05192 4.40921 2.23826 -91.82114 758.63552
4085.0000 -95.00392 -91.36550 3.63842 2.29627 -91.14266 783.43964
4090.0000 -95.97016 -92.01229 3.95787 2.21457 -92.09828 701.29199
4095.0000 -96.70546 -92.38660 4.31886 2.15091 -92.84277 687.56830
4100.0000 -95.92411 -92.31709 3.60703 2.23398 -91.87125 775.26241
4105.0000 -94.84409 -90.61382 4.23027 2.29591 -91.14686 798.00938
4110.0000 -95.65467 -91.19639 4.45828 2.31067 -90.97425 809.22696
4115.0000 -94.73044 -91.11346 3.61698 2.28550 -91.26868 788.97240
4120.0000 -94.67617 -91.31768 3.35849 2.25116 -91.67024 755.45375
4125.0000 -95.38458 -91.34536 4.03921 2.24663 -91.72327 738.12210
4130.0000 -95.68091 -91.40418 4.27673 2.25519 -91.62313 783.16342
4135.0000 -95.49547 -91.52071 3.97476 2.20893 -92.16420 726.46581
4140.0000 -95.65790 -91.38085 4.27706 2.26324 -91.52903 776.26280
4145.0000 -95.98076 -91.65190 4.32886 2.27480 -91.39383 775.95258
4150.0000 -95.42400 -91.63764 3.78636 2.30652 -91.02273 825.72626
4155.0000 -95.43480 -91.91133 3.52347 2.23458 -91.86414 759.14195
4160.0000 -97.02282 -93.37699 3.64584 2.10648 -93.36248 644.93117
4165.0000 -95.68398 -92.42730 3.25667 2.13398 -93.04079 650.32444
4170.0000 -95.50966 -91.61721 3.89245 2.26703 -91.48466 773.47670
4175.0000 -95.74147 -91.35500 4.38646 2.28169 -91.31319 812.43966
4180.0000 -94.91753 -91.03476 3.88276 2.27515 -91.38967 751.61422
4185.0000 -95.23845 -90.62337 4.61508 2.30805 -91.00488 836.45060
4190.0000 -94.67229 -91.46054 3.21176 2.29810 -91.12131 818.99435
4195.0000 -95.75976 -90.73882 5.02095 2.30834 -91.00153 815.73663
4200.0000 -96.18536 -92.33466 3.85070 2.28598 -91.26304 793.48065
4205.0000 -95.21747 -92.34924 2.86823 2.20153 -92.25078 730.93065
4210.0000 -96.58437 -92.57046 4.01392 2.24708 -91.71804 741.57691
4215.0000 -95.06377 -90.69521 4.36857 2.23482 -91.86133 728.21802
4220.0000 -95.39347 -91.90990 3.48357 2.31762 -90.89290 759.80185
4225.0000 -96.29093 -92.82457 3.46637 2.19771 -92.29544 720.44390
4230.0000 -95.63005 -91.38656 4.24349 2.16944 -92.62604 670.58637
4235.0000 -96.49486 -93.27688 3.21798 2.21050 -92.14584 731.57158
4240.0000 -96.02835 -92.17146 3.85689 2.16010 -92.73529 648.98892
4245.0000 -95.31703 -91.68946 3.62757 2.22041 -92.02991 737.97154
4250.0000 -94.56232 -91.25889 3.30343 2.23866 -91.81649 743.37419
FREEZING PROCESS: loop number 18 T-loop= 725.00000000000000
main_MD> interactions number 18 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23559 1.35425 -1.23238
force_rgl> df(natom) 0.93594 -1.31667 1.12527
4255.0000 -95.61574 -92.08824 3.52750 2.22478 -91.97885 717.92766
4260.0000 -96.72365 -93.81763 2.90602 2.15160 -92.83470 664.74719
4265.0000 -95.18943 -91.94093 3.24849 2.14749 -92.88278 623.43627
4270.0000 -96.23734 -92.41489 3.82246 2.18182 -92.48128 690.26269
4275.0000 -95.58866 -92.27241 3.31625 2.20704 -92.18631 701.76445
4280.0000 -96.82529 -92.55180 4.27349 2.19326 -92.34744 752.26327
4285.0000 -96.69417 -93.34876 3.34541 2.15680 -92.77394 711.71001
4290.0000 -96.47086 -93.73054 2.74032 2.07045 -93.78392 610.88462
4295.0000 -96.13201 -91.97729 4.15472 2.16938 -92.62676 690.97306
4300.0000 -95.05890 -91.42103 3.63787 2.25439 -91.63251 778.57188
4305.0000 -95.46570 -91.58331 3.88240 2.24879 -91.69803 774.65344
4310.0000 -96.63434 -92.56088 4.07346 2.23132 -91.90232 775.23190
4315.0000 -95.88814 -92.49291 3.39523 2.16948 -92.62564 748.00959
4320.0000 -96.33642 -91.39672 4.93970 2.25997 -91.56721 772.67920
4325.0000 -95.17289 -90.47218 4.70071 2.28361 -91.29077 820.18925
4330.0000 -94.90028 -91.33954 3.56075 2.32745 -90.77798 841.70723
4335.0000 -96.64207 -92.64311 3.99896 2.24681 -91.72116 751.18879
4340.0000 -96.29364 -92.45274 3.84090 2.16240 -92.70846 710.76447
4345.0000 -96.94713 -93.70660 3.24054 2.12626 -93.13105 671.87425
4350.0000 -96.60856 -92.73267 3.87589 2.13894 -92.98285 679.04389
4355.0000 -96.35410 -92.84037 3.51372 2.17374 -92.57581 710.27109
4360.0000 -96.66042 -94.01572 2.64469 2.10915 -93.33121 637.54713
4365.0000 -97.37537 -94.05928 3.31609 2.04767 -94.05033 602.62689
4370.0000 -96.56989 -92.65531 3.91458 2.13786 -92.99540 676.70055
4375.0000 -95.66598 -91.86354 3.80244 2.18338 -92.46305 718.03342
4380.0000 -95.78223 -91.85169 3.93053 2.21437 -92.10058 700.86100
4385.0000 -96.23852 -92.08506 4.15346 2.19741 -92.29897 680.64711
4390.0000 -95.70639 -91.78361 3.92278 2.24873 -91.69870 752.17382
4395.0000 -96.06923 -92.21427 3.85496 2.24114 -91.78748 785.17015
4400.0000 -96.46955 -92.88177 3.58779 2.20489 -92.21150 715.51358
4405.0000 -96.22471 -92.18254 4.04217 2.19407 -92.33797 725.01581
4410.0000 -95.91984 -91.58167 4.33816 2.20724 -92.18391 729.76164
4415.0000 -95.87398 -91.93008 3.94390 2.23632 -91.84383 758.10719
4420.0000 -96.06369 -92.40776 3.65593 2.20585 -92.20023 724.93506
4425.0000 -95.72628 -92.29382 3.43246 2.18422 -92.45322 683.85949
4430.0000 -95.26025 -91.66136 3.59889 2.23057 -91.91107 718.17821
4435.0000 -95.07768 -91.58299 3.49469 2.23843 -91.81919 741.22292
4440.0000 -95.63599 -91.76566 3.87033 2.20041 -92.26379 716.04931
4445.0000 -96.06940 -92.91998 3.14942 2.21368 -92.10867 715.41238
4450.0000 -96.35426 -92.96689 3.38736 2.15346 -92.81302 690.46775
4455.0000 -96.45814 -92.52593 3.93221 2.14448 -92.91804 690.75459
4460.0000 -96.11308 -92.32824 3.78484 2.15967 -92.74030 684.53242
4465.0000 -96.20455 -92.89307 3.31148 2.15894 -92.74889 681.83271
4470.0000 -96.20282 -93.20952 2.99330 2.14484 -92.91382 652.57772
4475.0000 -95.40058 -91.74132 3.65926 2.16106 -92.72415 661.28395
4480.0000 -97.11466 -93.06957 4.04509 2.19159 -92.36699 729.19786
4485.0000 -95.72267 -92.61671 3.10596 2.12328 -93.16599 665.39594
4490.0000 -95.93180 -91.75016 4.18164 2.19038 -92.38116 696.07432
4495.0000 -96.78621 -93.59170 3.19452 2.15477 -92.79765 698.11356
4500.0000 -97.06272 -93.42827 3.63445 2.05377 -93.97897 610.55278
FREEZING PROCESS: loop number 19 T-loop= 700.00000000000000
main_MD> interactions number 19 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68265 -3.28236 2.21302
force_rgl> df(natom) 0.88166 3.15402 -0.67227
4505.0000 -96.44236 -93.14642 3.29593 2.11995 -93.20495 647.40529
4510.0000 -96.62651 -92.72532 3.90119 2.15263 -92.82273 678.85654
4515.0000 -96.45241 -93.17479 3.27761 2.13012 -93.08593 645.89472
4520.0000 -96.69445 -93.82274 2.87171 2.13004 -93.08690 677.14817
4525.0000 -96.97687 -93.92299 3.05388 2.06938 -93.79634 618.89675
4530.0000 -97.13807 -93.57495 3.56312 2.09262 -93.52454 653.16280
4535.0000 -96.33628 -92.34296 3.99332 2.15292 -92.81925 718.35340
4540.0000 -96.31849 -92.06065 4.25784 2.21791 -92.05919 764.67263
4545.0000 -96.36145 -92.62991 3.73155 2.21948 -92.04084 738.91108
4550.0000 -95.77139 -92.14436 3.62704 2.19337 -92.34625 718.61286
4555.0000 -95.95975 -92.53140 3.42835 2.19860 -92.28496 710.44672
4560.0000 -96.21852 -92.04931 4.16921 2.18058 -92.49584 708.38402
4565.0000 -95.73362 -92.17342 3.56020 2.24798 -91.70744 761.12086
4570.0000 -95.73318 -92.62397 3.10921 2.17816 -92.52413 676.19486
4575.0000 -96.23528 -92.23266 4.00262 2.15229 -92.82669 678.58087
4580.0000 -96.49853 -92.57750 3.92103 2.13990 -92.97160 675.29203
4585.0000 -96.19073 -92.17332 4.01742 2.19653 -92.30922 724.75252
4590.0000 -95.50305 -92.05115 3.45189 2.17373 -92.57586 693.26250
4595.0000 -95.35678 -92.31194 3.04484 2.18659 -92.42554 718.07287
4600.0000 -96.59211 -93.48802 3.10409 2.19199 -92.36231 694.23174
4605.0000 -95.80476 -92.41848 3.38629 2.17382 -92.57487 713.39930
4610.0000 -95.58294 -92.28657 3.29637 2.16916 -92.62935 724.37947
4615.0000 -95.84532 -92.40420 3.44111 2.18008 -92.50159 737.11108
4620.0000 -97.20737 -94.09440 3.11298 2.10772 -93.34799 649.58250
4625.0000 -96.76025 -93.54896 3.21128 2.11649 -93.24543 673.84177
4630.0000 -95.89149 -92.64311 3.24839 2.15880 -92.75050 678.20063
4635.0000 -94.55367 -90.72682 3.82685 2.25008 -91.68291 744.42547
4640.0000 -96.32998 -92.46572 3.86426 2.24797 -91.70757 770.82902
4645.0000 -96.71454 -93.83250 2.88203 2.15005 -92.85290 665.52763
4650.0000 -96.79733 -93.75774 3.03959 2.07074 -93.78049 596.65931
4655.0000 -96.36501 -93.17868 3.18633 2.12301 -93.16907 649.01764
4660.0000 -96.94982 -92.71319 4.23662 2.15910 -92.74705 680.12016
4665.0000 -96.28501 -92.75985 3.52515 2.17844 -92.52079 708.41302
4670.0000 -96.71306 -93.35967 3.35339 2.17764 -92.53022 707.17284
4675.0000 -96.95669 -93.51400 3.44269 2.10197 -93.41518 614.02079
4680.0000 -96.91850 -93.26473 3.65377 2.11629 -93.24772 633.05727
4685.0000 -94.90953 -91.71029 3.19924 2.18806 -92.40827 695.02429
4690.0000 -97.04347 -93.11188 3.93159 2.19264 -92.35477 724.05945
4695.0000 -95.49253 -91.43548 4.05706 2.19008 -92.38471 704.12513
4700.0000 -96.25832 -92.21806 4.04026 2.24256 -91.77082 756.35927
4705.0000 -95.82475 -91.74351 4.08124 2.18515 -92.44238 690.81649
4710.0000 -96.08591 -92.31847 3.76745 2.21668 -92.07358 731.05524
4715.0000 -96.64229 -93.39843 3.24386 2.16980 -92.62189 670.27534
4720.0000 -96.31871 -93.24160 3.07711 2.12731 -93.11887 644.80237
4725.0000 -96.79147 -94.24942 2.54205 2.08503 -93.61329 622.41428
4730.0000 -97.12049 -93.88561 3.23488 2.07831 -93.69197 623.52967
4735.0000 -97.06306 -94.08327 2.97980 2.05164 -94.00386 614.25784
4740.0000 -96.29774 -92.87917 3.41856 2.09190 -93.53303 645.97231
4745.0000 -96.26903 -92.30639 3.96264 2.18177 -92.48187 704.47257
4750.0000 -96.22223 -92.68673 3.53549 2.15116 -92.83993 669.99442
FREEZING PROCESS: loop number 20 T-loop= 675.00000000000000
main_MD> interactions number 20 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.33788 0.23813 -0.88477
force_rgl> df(natom) 0.25224 -1.18801 1.13204
4755.0000 -96.56592 -92.98052 3.58540 2.09892 -93.45083 633.94937
4760.0000 -96.70001 -93.11651 3.58350 2.14619 -92.89804 681.52744
4765.0000 -96.66184 -92.87555 3.78630 2.10875 -93.33594 651.27911
4770.0000 -96.57113 -93.49736 3.07376 2.14058 -92.96366 686.16019
4775.0000 -96.98185 -93.38315 3.59870 2.08678 -93.59282 636.83178
4780.0000 -96.32447 -93.19620 3.12827 2.11122 -93.30698 638.49934
4785.0000 -96.40033 -92.48712 3.91321 2.15284 -92.82026 648.69117
4790.0000 -95.33729 -91.56403 3.77325 2.24980 -91.68620 718.64850
4795.0000 -96.25413 -92.09956 4.15457 2.23230 -91.89083 726.00521
4800.0000 -95.65375 -92.13376 3.51999 2.21963 -92.03906 708.09183
4805.0000 -95.34264 -91.78409 3.55855 2.18089 -92.49219 689.19902
4810.0000 -96.29302 -93.17959 3.11343 2.18799 -92.40916 715.44827
4815.0000 -96.52188 -92.99433 3.52755 2.10095 -93.42708 638.02522
4820.0000 -96.33973 -93.64136 2.69837 2.10140 -93.42183 652.63248
4825.0000 -96.74803 -92.89524 3.85279 2.12311 -93.16795 660.84576
4830.0000 -96.79008 -93.09646 3.69362 2.15275 -92.82131 730.21007
4835.0000 -96.46310 -93.60712 2.85598 2.11709 -93.23836 673.55502
4840.0000 -96.26653 -93.41520 2.85133 2.10860 -93.33772 633.76024
4845.0000 -97.19839 -93.73877 3.45962 2.05659 -93.94599 627.21670
4850.0000 -96.36865 -92.59590 3.77275 2.15353 -92.81216 689.00225
4855.0000 -97.51116 -93.13741 4.37375 2.13998 -92.97060 701.35777
4860.0000 -97.05249 -93.33579 3.71670 2.09684 -93.47526 650.53465
4865.0000 -96.88989 -94.01753 2.87236 2.09445 -93.50312 636.96155
4870.0000 -95.18766 -91.91339 3.27427 2.12852 -93.10472 650.60469
4875.0000 -96.13758 -92.19357 3.94401 2.17786 -92.52765 692.70674
4880.0000 -95.88946 -92.92662 2.96284 2.22969 -91.92137 732.24766
4885.0000 -96.60889 -94.05069 2.55819 2.13331 -93.04863 666.55760
4890.0000 -97.03481 -93.96806 3.06675 2.06707 -93.82340 618.11887
4895.0000 -96.41806 -93.30140 3.11666 2.08406 -93.62464 621.82582
4900.0000 -96.22784 -92.20642 4.02143 2.17562 -92.55383 709.02306
4905.0000 -96.35593 -93.07047 3.28546 2.16817 -92.64089 690.57332
4910.0000 -96.59520 -91.84397 4.75123 2.16023 -92.73384 713.87498
4915.0000 -97.27759 -93.71809 3.55950 2.15056 -92.84693 684.51782
4920.0000 -97.00569 -93.66740 3.33829 2.07224 -93.76297 637.40364
4925.0000 -97.52970 -94.00885 3.52085 2.10053 -93.43202 655.69060
4930.0000 -96.57633 -92.99052 3.58581 2.07977 -93.67491 642.23370
4935.0000 -97.15443 -92.86788 4.28655 2.14416 -92.92170 680.92183
4940.0000 -96.57416 -93.33782 3.23633 2.14120 -92.95634 693.00294
4945.0000 -95.95244 -92.99385 2.95859 2.12600 -93.13416 672.33710
4950.0000 -94.80024 -90.66498 4.13526 2.22997 -91.91806 690.92925
4955.0000 -95.40485 -91.13601 4.26884 2.31047 -90.97659 797.84526
4960.0000 -96.08960 -91.46726 4.62235 2.30639 -91.02435 804.25911
4965.0000 -95.21780 -91.79883 3.41897 2.26731 -91.48136 732.41550
4970.0000 -95.47708 -91.68196 3.79512 2.27455 -91.39666 769.78452
4975.0000 -96.81588 -93.64458 3.17130 2.16727 -92.65143 672.08458
4980.0000 -96.71630 -92.69219 4.02411 2.10395 -93.39201 628.48023
4985.0000 -96.48310 -93.57788 2.90522 2.12091 -93.19363 661.97742
4990.0000 -96.24392 -93.46002 2.78390 2.10412 -93.39003 673.02954
4995.0000 -96.49977 -92.95387 3.54590 2.13223 -93.06130 689.68367
5000.0000 -95.82027 -92.04901 3.77125 2.13472 -93.03220 669.61510
FREEZING PROCESS: loop number 21 T-loop= 650.00000000000000
main_MD> interactions number 21 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57605 1.35577 -2.41149
force_rgl> df(natom) -0.21028 2.62056 4.46459
5005.0000 -97.07482 -92.67224 4.40258 2.17920 -92.51193 696.15170
5010.0000 -94.96618 -91.88102 3.08516 2.19924 -92.27751 739.23548
5015.0000 -95.95364 -92.96732 2.98632 2.19659 -92.30854 689.75301
5020.0000 -97.88607 -94.51758 3.36849 2.09325 -93.51718 673.62599
5025.0000 -96.53194 -93.17932 3.35263 2.06511 -93.84638 632.84502
5030.0000 -97.22337 -94.03084 3.19254 2.09697 -93.47365 655.15438
5035.0000 -96.65661 -93.36464 3.29196 2.07597 -93.71936 630.07709
5040.0000 -96.54080 -93.63213 2.90867 2.11109 -93.30858 620.42277
5045.0000 -97.52889 -94.68544 2.84345 2.07226 -93.76268 630.04672
5050.0000 -96.72135 -93.40771 3.31364 2.05870 -93.92132 604.69787
5055.0000 -96.33346 -92.85805 3.47541 2.14866 -92.86911 673.37690
5060.0000 -95.95949 -92.80221 3.15728 2.13233 -93.06015 654.00211
5065.0000 -97.16688 -93.47088 3.69601 2.14924 -92.86234 664.03048
5070.0000 -96.99900 -93.91073 3.08827 2.08327 -93.63388 599.93446
5075.0000 -97.72484 -94.32551 3.39933 2.03504 -94.19804 589.16890
5080.0000 -97.70196 -94.42031 3.28165 2.02644 -94.29861 585.16740
5085.0000 -97.90059 -94.88079 3.01980 2.01167 -94.47140 562.45460
5090.0000 -96.43062 -93.70044 2.73018 2.05563 -93.95716 580.49058
5095.0000 -97.32413 -92.83855 4.48557 2.10443 -93.38643 660.41058
5100.0000 -97.98853 -93.93705 4.05149 2.11623 -93.24839 687.48975
5105.0000 -96.72004 -93.09765 3.62239 2.04363 -94.09752 615.30956
5110.0000 -96.89346 -93.43265 3.46082 2.09782 -93.46374 639.30203
5115.0000 -96.29453 -93.54439 2.75013 2.07580 -93.72134 624.55441
5120.0000 -96.67660 -93.45256 3.22404 2.12622 -93.13162 646.60631
5125.0000 -97.50733 -93.89073 3.61660 2.06634 -93.83190 574.68938
5130.0000 -95.97379 -92.94268 3.03111 2.10625 -93.36517 627.71235
5135.0000 -96.76947 -93.01406 3.75541 2.12152 -93.18653 664.31270
5140.0000 -97.85757 -95.21332 2.64425 2.02584 -94.30563 582.34518
5145.0000 -97.35904 -93.90085 3.45819 2.01635 -94.41663 547.18387
5150.0000 -96.62726 -93.35839 3.26887 2.08888 -93.56836 597.82984
5155.0000 -97.41166 -93.57353 3.83812 2.10941 -93.32818 671.94557
5160.0000 -97.49718 -93.77348 3.72370 2.05283 -93.98994 594.90968
5165.0000 -96.68717 -92.10967 4.57750 2.11692 -93.24032 664.83901
5170.0000 -96.04312 -92.45451 3.58861 2.19029 -92.38218 708.76624
5175.0000 -96.15420 -93.44700 2.70720 2.13897 -92.98251 650.23658
5180.0000 -96.94401 -93.30421 3.63980 2.11327 -93.28307 643.91647
5185.0000 -95.48771 -92.40662 3.08109 2.13738 -93.00105 694.35627
5190.0000 -96.40493 -93.52738 2.87755 2.07795 -93.69616 629.67246
5195.0000 -97.33125 -94.10047 3.23079 2.06921 -93.79836 602.72601
5200.0000 -97.03710 -93.77467 3.26243 2.09803 -93.46125 625.01374
5205.0000 -96.98212 -93.20766 3.77445 2.07465 -93.73474 637.22296
5210.0000 -97.75265 -93.85115 3.90150 2.07909 -93.68283 655.48991
5215.0000 -96.83158 -93.68177 3.14981 2.04314 -94.10325 580.93223
5220.0000 -97.76003 -94.34146 3.41856 2.03144 -94.24015 587.75403
5225.0000 -97.25539 -93.98352 3.27187 2.02928 -94.26538 591.97453
5230.0000 -96.63994 -93.28774 3.35220 2.07308 -93.75315 615.57986
5235.0000 -96.70621 -93.36317 3.34304 2.15920 -92.74584 700.34975
5240.0000 -96.54124 -93.27842 3.26281 2.07229 -93.76237 611.26201
5245.0000 -96.56509 -92.87198 3.69311 2.11882 -93.21817 630.85022
5250.0000 -96.79115 -93.53774 3.25340 2.13290 -93.05348 663.51391
FREEZING PROCESS: loop number 22 T-loop= 625.00000000000000
main_MD> interactions number 22 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.00673 3.41172 4.70523
force_rgl> df(natom) -2.95627 -0.45043 5.60468
5255.0000 -96.49415 -93.74469 2.74946 2.08930 -93.56343 606.74901
5260.0000 -96.85300 -93.67045 3.18255 2.11681 -93.24159 647.39701
5265.0000 -96.19973 -92.65509 3.54465 2.11456 -93.26799 645.47314
5270.0000 -96.87503 -93.44777 3.42726 2.10194 -93.41555 645.64167
5275.0000 -95.99825 -93.16801 2.83025 2.09004 -93.55480 627.74869
5280.0000 -97.13037 -94.21467 2.91570 2.07088 -93.77889 619.32200
5285.0000 -97.11402 -94.30607 2.80795 2.03503 -94.19811 606.59778
5290.0000 -97.31068 -94.75975 2.55093 2.00193 -94.58526 539.28252
5295.0000 -97.47569 -95.28392 2.19177 1.95661 -95.11540 509.78399
5300.0000 -96.91943 -93.32114 3.59829 2.02266 -94.34278 596.10541
5305.0000 -96.30147 -92.68415 3.61732 2.08793 -93.57946 593.15167
5310.0000 -97.53899 -93.23810 4.30089 2.15442 -92.80173 671.77662
5315.0000 -97.04983 -93.66913 3.38070 2.17341 -92.57967 736.55524
5320.0000 -97.20215 -94.34079 2.86135 2.04103 -94.12800 606.81570
5325.0000 -97.43212 -94.49152 2.94060 2.01859 -94.39040 563.23624
5330.0000 -96.91391 -93.97549 2.93843 1.98382 -94.79707 532.80926
5335.0000 -96.58041 -93.10875 3.47165 2.09682 -93.47550 638.85218
5340.0000 -96.99683 -93.75910 3.23773 2.10906 -93.33232 664.28374
5345.0000 -96.69206 -93.53347 3.15859 2.05884 -93.91970 617.12284
5350.0000 -96.29535 -93.15901 3.13634 2.09753 -93.46717 649.20698
5355.0000 -96.30898 -92.91479 3.39419 2.12840 -93.10603 667.45895
5360.0000 -96.68488 -92.53667 4.14822 2.16187 -92.71459 679.41368
5365.0000 -95.75306 -92.18098 3.57208 2.14946 -92.85976 647.87063
5370.0000 -96.67362 -93.85687 2.81675 2.09161 -93.53635 628.85140
5375.0000 -96.59126 -93.20093 3.39032 2.08983 -93.55717 638.12455
5380.0000 -95.84020 -93.10710 2.73309 2.10984 -93.32321 642.83403
5385.0000 -97.02116 -93.58108 3.44008 2.08976 -93.55807 621.76588
5390.0000 -97.76129 -94.36840 3.39289 2.03439 -94.20567 586.68676
5395.0000 -96.73089 -93.56402 3.16688 2.02223 -94.34790 604.60502
5400.0000 -97.28878 -94.30928 2.97951 2.07732 -93.70353 627.64877
5405.0000 -97.64509 -94.20840 3.43669 2.02331 -94.33527 584.28394
5410.0000 -97.02827 -94.06145 2.96682 2.03963 -94.14440 604.51734
5415.0000 -97.06904 -93.61951 3.44953 2.02666 -94.29606 582.61080
5420.0000 -97.08253 -93.50645 3.57608 2.04980 -94.02538 619.26230
5425.0000 -97.43153 -94.59491 2.83662 2.04857 -94.03974 576.92624
5430.0000 -96.90275 -94.21090 2.69185 2.03900 -94.15174 568.03924
5435.0000 -96.48153 -93.47031 3.01122 2.04718 -94.05607 600.49395
5440.0000 -96.52893 -92.76145 3.76748 2.10863 -93.33733 608.35524
5445.0000 -96.04834 -92.00907 4.03927 2.20945 -92.15813 721.39042
5450.0000 -95.99365 -92.69400 3.29965 2.17715 -92.53595 689.18784
5455.0000 -96.42324 -93.33403 3.08922 2.15326 -92.81536 661.44725
5460.0000 -97.13432 -94.24701 2.88730 2.07579 -93.72143 592.12120
5465.0000 -97.42656 -94.15402 3.27254 2.03408 -94.20924 599.29684
5470.0000 -97.46141 -93.77093 3.69048 2.06829 -93.80909 622.45008
5475.0000 -96.41103 -93.70212 2.70891 2.05527 -93.96147 607.45201
5480.0000 -97.55563 -94.15058 3.40504 2.06489 -93.84886 620.95910
5485.0000 -96.31289 -93.35410 2.95879 2.05078 -94.01391 580.94327
5490.0000 -96.98914 -93.80664 3.18250 2.07572 -93.72226 603.24588
5495.0000 -97.74138 -94.61419 3.12719 2.02018 -94.37187 590.86242
5500.0000 -96.81922 -93.74975 3.06948 2.03811 -94.16218 600.36524
FREEZING PROCESS: loop number 23 T-loop= 600.00000000000000
main_MD> interactions number 23 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16794 -2.02014 0.54840
force_rgl> df(natom) 1.58325 -0.37924 -0.06816
5505.0000 -97.19413 -93.86014 3.33399 2.05856 -93.92293 621.09196
5510.0000 -97.49446 -94.38266 3.11180 2.03074 -94.24830 583.80501
5515.0000 -98.20566 -95.54604 2.65963 2.02843 -94.27532 595.54399
5520.0000 -97.56728 -94.22116 3.34611 1.98384 -94.79690 557.32543
5525.0000 -97.78387 -94.62010 3.16377 2.01161 -94.47202 559.63017
5530.0000 -96.73992 -92.99524 3.74468 2.02568 -94.30751 569.25787
5535.0000 -97.08655 -94.20100 2.88555 2.06673 -93.82735 607.40244
5540.0000 -96.45706 -93.61022 2.84684 2.03145 -94.23998 581.98170
5545.0000 -96.16476 -93.08278 3.08198 2.08229 -93.64544 643.12206
5550.0000 -97.38220 -94.37741 3.00479 2.06695 -93.82486 645.67319
5555.0000 -97.29467 -93.58710 3.70757 2.07873 -93.68697 638.70582
5560.0000 -97.17750 -93.97083 3.20667 2.07617 -93.71694 617.19192
5565.0000 -95.97759 -92.18893 3.78866 2.18908 -92.39631 685.02815
5570.0000 -96.56521 -93.54474 3.02047 2.13597 -93.01758 656.07025
5575.0000 -97.27938 -94.02998 3.24940 2.09694 -93.47401 627.67622
5580.0000 -96.80016 -93.35634 3.44382 2.08420 -93.62305 628.34889
5585.0000 -97.61549 -93.67546 3.94003 2.09467 -93.50056 622.74543
5590.0000 -97.41598 -94.69919 2.71678 2.09569 -93.48870 646.53396
5595.0000 -97.61814 -94.90470 2.71344 1.95987 -95.07720 525.82513
5600.0000 -97.31548 -93.32285 3.99263 2.07983 -93.67416 632.27266
5605.0000 -96.22978 -93.29434 2.93544 2.09518 -93.49468 639.77593
5610.0000 -96.59616 -93.54718 3.04898 2.10748 -93.35082 621.93707
5615.0000 -97.42170 -94.49571 2.92599 2.04709 -94.05709 593.48812
5620.0000 -96.35258 -92.73327 3.61931 2.08804 -93.57816 635.82738
5625.0000 -96.68582 -93.15560 3.53022 2.13663 -93.00987 668.93138
5630.0000 -97.46553 -94.13958 3.32595 2.05128 -94.00812 625.09220
5635.0000 -97.30963 -93.92309 3.38655 1.99076 -94.71592 529.39260
5640.0000 -97.67227 -94.30943 3.36284 2.01084 -94.48108 563.71085
5645.0000 -97.73002 -94.97726 2.75276 2.03079 -94.24775 583.78704
5650.0000 -97.78997 -94.60688 3.18309 1.94246 -95.28085 512.56521
5655.0000 -97.09210 -93.37460 3.71750 2.03792 -94.16439 587.72810
5660.0000 -97.30256 -93.24911 4.05345 2.09931 -93.44635 657.89185
5665.0000 -96.32503 -92.97227 3.35276 2.10758 -93.34962 657.00324
5670.0000 -96.93598 -94.20650 2.72948 2.12028 -93.20106 662.28720
5675.0000 -96.56545 -93.76354 2.80191 2.04379 -94.09572 595.14601
5680.0000 -96.20818 -92.83840 3.36978 2.12430 -93.15406 612.13784
5685.0000 -96.89885 -93.63584 3.26301 2.17768 -92.52969 692.98865
5690.0000 -97.27374 -94.06170 3.21204 2.02129 -94.35888 585.45680
5695.0000 -97.05601 -94.12493 2.93108 2.04351 -94.09896 578.93029
5700.0000 -97.48592 -94.52049 2.96542 2.02874 -94.27167 567.89592
5705.0000 -96.49949 -94.12871 2.37078 2.02977 -94.25970 540.16960
5710.0000 -96.45882 -93.72191 2.73690 2.05400 -93.97626 583.29711
5715.0000 -97.65432 -93.91227 3.74205 2.05390 -93.97739 604.54412
5720.0000 -97.33269 -94.45039 2.88230 2.03945 -94.14642 607.18480
5725.0000 -96.83468 -94.04096 2.79373 2.08170 -93.65225 618.38503
5730.0000 -96.33901 -93.80966 2.52935 2.05895 -93.91836 601.00889
5735.0000 -97.25341 -94.66626 2.58715 2.06974 -93.79220 600.26420
5740.0000 -98.30145 -95.55069 2.75075 1.95142 -95.17608 522.99957
5745.0000 -97.50770 -95.03220 2.47549 1.90419 -95.72848 469.34394
5750.0000 -96.86140 -93.60232 3.25908 2.02609 -94.30274 588.48564
FREEZING PROCESS: loop number 24 T-loop= 575.00000000000000
main_MD> interactions number 24 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21944 -1.60816 0.87314
force_rgl> df(natom) 2.09412 0.55131 -0.81279
5755.0000 -97.96753 -95.11077 2.85676 2.03708 -94.17414 607.60173
5760.0000 -97.48252 -94.39792 3.08460 1.98614 -94.77002 536.08667
5765.0000 -97.19191 -94.67826 2.51364 2.02909 -94.26759 595.22167
5770.0000 -97.33078 -94.73727 2.59351 1.99990 -94.60906 561.91890
5775.0000 -97.31663 -94.88855 2.42808 1.98936 -94.73236 541.85290
5780.0000 -96.84798 -93.85497 2.99300 2.00993 -94.49173 569.39571
5785.0000 -96.17296 -92.29433 3.87863 2.15161 -92.83462 685.88216
5790.0000 -96.21579 -92.83668 3.37910 2.13338 -93.04780 674.06997
5795.0000 -96.83447 -93.46788 3.36658 2.13453 -93.03441 670.13296
5800.0000 -96.76408 -93.62490 3.13918 2.10351 -93.39723 611.17566
5805.0000 -97.21065 -94.27949 2.93116 2.01397 -94.44446 578.36417
5810.0000 -97.52795 -94.63572 2.89223 2.03226 -94.23059 594.34801
5815.0000 -97.16072 -93.98095 3.17978 1.99425 -94.67511 566.49571
5820.0000 -97.34402 -94.46433 2.87968 2.02555 -94.30897 581.11603
5825.0000 -97.60794 -94.74870 2.85924 2.00217 -94.58250 533.99522
5830.0000 -96.94598 -94.68968 2.25630 2.00324 -94.56995 551.74374
5835.0000 -97.86426 -94.93829 2.92597 1.98036 -94.83761 529.90656
5840.0000 -97.01039 -93.84274 3.16765 2.03366 -94.21417 579.50446
5845.0000 -96.97438 -94.84679 2.12759 2.03127 -94.24208 589.06805
5850.0000 -98.08492 -95.04258 3.04235 1.99191 -94.70248 552.05387
5855.0000 -97.85016 -95.00010 2.85006 1.94774 -95.21914 501.58895
5860.0000 -96.68668 -94.19028 2.49640 2.02430 -94.32365 565.79231
5865.0000 -96.96378 -94.60363 2.36015 2.04303 -94.10452 596.94296
5870.0000 -97.58074 -94.59025 2.99050 2.02664 -94.29623 585.79494
5875.0000 -97.19028 -93.77397 3.41631 2.07637 -93.71460 620.21830
5880.0000 -97.35090 -94.55971 2.79119 2.00002 -94.60761 537.80943
5885.0000 -97.29472 -94.73859 2.55613 2.02850 -94.27451 597.69511
5890.0000 -97.53289 -95.00319 2.52970 1.99067 -94.71699 547.14409
5895.0000 -96.94280 -94.18840 2.75440 2.01393 -94.44499 558.92082
5900.0000 -97.25594 -94.29245 2.96349 2.01385 -94.44587 548.03932
5905.0000 -97.96986 -93.95896 4.01091 2.05405 -93.97565 585.10409
5910.0000 -96.87253 -93.79150 3.08103 2.09589 -93.48635 614.73163
5915.0000 -96.81635 -93.86594 2.95042 2.05148 -94.00579 581.18825
5920.0000 -97.33617 -94.50669 2.82947 2.02512 -94.31402 552.24859
5925.0000 -96.96320 -93.95706 3.00614 2.03993 -94.14080 583.96217
5930.0000 -97.16667 -95.02281 2.14386 2.00692 -94.52695 561.10146
5935.0000 -98.04959 -95.15567 2.89392 1.96330 -95.03712 536.41666
5940.0000 -97.83134 -95.74384 2.08750 1.95536 -95.12993 513.26523
5945.0000 -97.07620 -94.86744 2.20877 1.95512 -95.13283 524.13624
5950.0000 -97.90903 -94.46017 3.44887 1.98661 -94.76446 545.05047
5955.0000 -97.64874 -95.19218 2.45656 2.00483 -94.55137 545.13313
5960.0000 -97.43407 -94.41694 3.01714 1.98328 -94.80337 536.07956
5965.0000 -97.31690 -93.97401 3.34289 2.02715 -94.29032 570.78620
5970.0000 -96.94990 -93.96781 2.98208 2.04698 -94.05840 603.03338
5975.0000 -97.83602 -94.49639 3.33963 2.00917 -94.50063 549.10403
5980.0000 -96.77001 -94.18897 2.58104 2.02894 -94.26932 603.49321
5985.0000 -97.77567 -94.34271 3.43296 2.01366 -94.44810 560.97047
5990.0000 -96.95200 -93.86230 3.08970 2.06478 -93.85018 608.57218
5995.0000 -96.55141 -93.54498 3.00644 2.05235 -93.99560 586.43281
6000.0000 -96.90493 -93.26442 3.64051 2.11564 -93.25537 645.66821
FREEZING PROCESS: loop number 25 T-loop= 550.00000000000000
main_MD> interactions number 25 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69908 -2.39518 1.98885
force_rgl> df(natom) -2.78527 -2.69461 -0.12218
6005.0000 -97.35731 -94.03811 3.31919 2.03183 -94.23552 583.29778
6010.0000 -96.55340 -93.75190 2.80150 2.08279 -93.63957 622.08506
6015.0000 -97.15423 -94.62006 2.53417 2.00858 -94.50753 542.89263
6020.0000 -97.63405 -94.53220 3.10186 1.98981 -94.72703 560.50491
6025.0000 -97.56882 -94.88696 2.68186 2.00943 -94.49752 574.53522
6030.0000 -98.17513 -95.56907 2.60606 1.99419 -94.67584 585.60255
6035.0000 -98.26710 -95.53180 2.73530 1.91696 -95.57904 525.23820
6040.0000 -98.26015 -94.87122 3.38892 1.95885 -95.08910 560.43212
6045.0000 -97.90646 -94.78945 3.11700 2.00553 -94.54319 615.38296
6050.0000 -97.80710 -94.60592 3.20118 1.96578 -95.00806 562.99383
6055.0000 -97.54797 -94.49438 3.05359 2.01834 -94.39336 592.11859
6060.0000 -97.87571 -95.12257 2.75314 1.96850 -94.97630 528.66193
6065.0000 -98.36242 -95.00574 3.35668 1.95606 -95.12180 531.59801
6070.0000 -97.71874 -95.21198 2.50676 1.94985 -95.19443 497.84185
6075.0000 -97.72981 -94.83573 2.89408 1.93500 -95.36808 477.06079
6080.0000 -98.20829 -95.05558 3.15271 1.97894 -94.85414 527.04206
6085.0000 -97.97708 -95.04082 2.93626 1.94066 -95.30189 487.68364
6090.0000 -97.65808 -95.43094 2.22714 1.95437 -95.14153 540.80209
6095.0000 -97.62919 -94.87126 2.75793 1.95167 -95.17312 528.27049
6100.0000 -97.76589 -94.55555 3.21033 1.99236 -94.69723 533.59607
6105.0000 -97.62623 -95.16874 2.45749 2.01552 -94.42631 561.19345
6110.0000 -97.76979 -94.97638 2.79341 1.96459 -95.02203 511.46056
6115.0000 -97.34711 -95.19327 2.15384 1.96476 -95.01999 513.94589
6120.0000 -98.53862 -95.52851 3.01011 1.94573 -95.24256 521.99020
6125.0000 -98.17277 -95.97003 2.20274 1.86926 -96.13699 453.75051
6130.0000 -97.93712 -94.81628 3.12083 1.90048 -95.77186 477.47029
6135.0000 -97.63500 -94.29820 3.33680 1.99112 -94.71177 560.67918
6140.0000 -97.30958 -94.36610 2.94349 2.06094 -93.89509 605.07691
6145.0000 -96.98693 -93.84697 3.13996 2.03021 -94.25449 574.37948
6150.0000 -97.63146 -95.02103 2.61043 2.02651 -94.29778 581.88796
6155.0000 -98.03640 -94.93615 3.10026 1.98064 -94.83428 518.53127
6160.0000 -97.93854 -95.74951 2.18903 1.94396 -95.26330 539.26924
6165.0000 -98.03239 -95.11365 2.91874 1.89007 -95.89360 480.14131
6170.0000 -97.58253 -94.83780 2.74474 1.95343 -95.15258 537.76127
6175.0000 -97.47576 -94.79425 2.68151 1.99542 -94.66148 564.69131
6180.0000 -97.53610 -94.67227 2.86383 2.00512 -94.54797 558.77187
6185.0000 -97.28291 -94.57018 2.71273 2.00784 -94.51611 565.89365
6190.0000 -97.74256 -94.49166 3.25089 2.00621 -94.53523 577.80554
6195.0000 -97.71503 -94.81873 2.89630 2.00477 -94.55202 533.62251
6200.0000 -97.65470 -94.78489 2.86980 2.04587 -94.07136 591.66006
6205.0000 -96.94570 -94.43000 2.51570 1.99870 -94.62302 519.14336
6210.0000 -97.44326 -94.36648 3.07678 2.00299 -94.57293 534.41475
6215.0000 -97.98995 -95.17650 2.81346 1.96462 -95.02168 535.40195
6220.0000 -97.28530 -94.13970 3.14560 2.00064 -94.60033 561.62806
6225.0000 -97.68952 -94.69477 2.99475 2.02484 -94.31733 568.02853
6230.0000 -96.92163 -93.56829 3.35334 2.06248 -93.87710 630.59423
6235.0000 -97.21772 -94.45282 2.76490 2.04664 -94.06232 607.63110
6240.0000 -97.85601 -95.22546 2.63055 1.96423 -95.02619 498.01270
6245.0000 -97.55265 -94.75135 2.80131 1.95262 -95.16197 481.56085
6250.0000 -97.56747 -94.45309 3.11438 1.98437 -94.79072 515.07783
FREEZING PROCESS: loop number 26 T-loop= 525.00000000000000
main_MD> interactions number 26 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39182 0.90726 5.29009
force_rgl> df(natom) -1.48657 0.97095 -1.06111
6255.0000 -96.91718 -93.85607 3.06111 2.01969 -94.37755 553.08776
6260.0000 -97.20155 -94.00288 3.19868 2.06822 -93.80995 601.90899
6265.0000 -97.31524 -94.94946 2.36578 1.99945 -94.61434 516.23800
6270.0000 -98.01702 -95.35531 2.66171 1.93030 -95.42308 494.24187
6275.0000 -97.83133 -95.74118 2.09015 1.90664 -95.69976 487.26843
6280.0000 -98.41877 -95.84623 2.57254 1.87610 -96.05704 447.34789
6285.0000 -98.39417 -95.70523 2.68894 1.90604 -95.70685 476.10513
6290.0000 -97.91534 -95.78055 2.13479 1.92033 -95.53970 491.87512
6295.0000 -97.36439 -94.64791 2.71647 1.97413 -94.91047 542.31475
6300.0000 -97.83632 -94.98297 2.85335 1.99394 -94.67877 543.32027
6305.0000 -97.02462 -93.92718 3.09745 1.99506 -94.66569 536.60551
6310.0000 -97.48526 -94.63671 2.84855 2.05812 -93.92805 577.99932
6315.0000 -95.99771 -93.70635 2.29136 2.03169 -94.23716 529.20432
6320.0000 -96.64290 -93.82109 2.82181 2.07533 -93.72678 620.89485
6325.0000 -96.93655 -93.61906 3.31749 2.04849 -94.04076 625.11174
6330.0000 -97.25402 -94.33283 2.92119 2.03862 -94.15612 618.51722
6335.0000 -97.51492 -95.40386 2.11106 1.98300 -94.80667 568.49327
6340.0000 -98.41752 -95.95920 2.45833 1.86502 -96.18662 462.35385
6345.0000 -98.24331 -95.40678 2.83654 1.93428 -95.37657 520.47056
6350.0000 -97.68413 -95.39849 2.28564 1.91243 -95.63212 511.20392
6355.0000 -98.19937 -94.97495 3.22442 1.95833 -95.09527 519.85678
6360.0000 -97.73666 -95.02838 2.70828 1.98925 -94.73365 560.06287
6365.0000 -97.92663 -95.68356 2.24307 1.92210 -95.51896 512.71222
6370.0000 -98.68370 -95.87838 2.80533 1.88552 -95.94679 475.35232
6375.0000 -98.14849 -95.49089 2.65760 1.90836 -95.67974 484.55930
6380.0000 -97.67518 -95.57975 2.09543 1.93372 -95.38313 482.12058
6385.0000 -97.80094 -94.26317 3.53777 2.00524 -94.54654 555.52273
6390.0000 -96.68225 -93.98552 2.69673 2.03964 -94.14423 605.12606
6395.0000 -98.46291 -94.96864 3.49427 1.98263 -94.81098 542.56333
6400.0000 -97.91631 -95.20962 2.70669 1.98408 -94.79401 526.79226
6405.0000 -97.76289 -95.08207 2.68083 1.97832 -94.86141 537.38027
6410.0000 -97.75059 -95.21773 2.53286 1.95064 -95.18520 507.14424
6415.0000 -97.69505 -95.09049 2.60456 1.96167 -95.05613 517.64784
6420.0000 -97.84925 -95.28990 2.55934 1.97481 -94.90250 541.77163
6425.0000 -97.02913 -94.41873 2.61039 1.98728 -94.75665 540.87837
6430.0000 -97.36629 -94.55732 2.80897 2.02494 -94.31620 574.59507
6435.0000 -97.94658 -95.53489 2.41168 1.96662 -94.99831 498.81685
6440.0000 -97.83026 -95.40427 2.42599 1.95948 -95.08175 500.51704
6445.0000 -97.49824 -95.04714 2.45110 1.92028 -95.54024 476.13091
6450.0000 -97.50331 -94.28959 3.21372 2.00299 -94.57287 565.41557
6455.0000 -98.26085 -95.81176 2.44909 2.00108 -94.59522 559.02018
6460.0000 -97.84667 -95.30964 2.53703 1.93557 -95.36140 502.34757
6465.0000 -97.95410 -95.36935 2.58476 1.92790 -95.45109 520.06858
6470.0000 -97.56523 -95.01809 2.54714 1.93709 -95.34365 498.31504
6475.0000 -97.86906 -95.06793 2.80112 1.96178 -95.05486 528.16053
6480.0000 -96.54069 -94.63120 1.90950 1.97817 -94.86315 522.58486
6485.0000 -97.95650 -95.96316 1.99334 1.95377 -95.14853 531.45318
6490.0000 -97.73867 -95.38134 2.35733 1.92385 -95.49853 486.73469
6495.0000 -98.35239 -95.89879 2.45360 1.87620 -96.05589 444.28305
6500.0000 -97.84420 -95.34093 2.50327 1.92278 -95.51102 483.24208
FREEZING PROCESS: loop number 27 T-loop= 500.00000000000000
main_MD> interactions number 27 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71466 0.50975 -1.11851
force_rgl> df(natom) 1.40599 0.36644 1.73846
6505.0000 -97.50060 -94.83506 2.66553 1.93988 -95.31103 497.25388
6510.0000 -97.85580 -95.40801 2.44778 1.94691 -95.22878 477.02568
6515.0000 -97.86133 -94.96422 2.89711 1.95011 -95.19142 496.04799
6520.0000 -97.36721 -94.36031 3.00691 2.02584 -94.30563 565.93756
6525.0000 -97.43748 -94.97820 2.45928 2.01125 -94.47633 533.32537
6530.0000 -97.77184 -95.12340 2.64844 1.97739 -94.87234 522.23741
6535.0000 -97.92042 -95.47162 2.44880 1.94495 -95.25176 510.05074
6540.0000 -98.05880 -95.28868 2.77012 1.93532 -95.36435 507.23194
6545.0000 -97.73357 -95.19205 2.54151 1.94696 -95.22820 503.56710
6550.0000 -97.75842 -94.79959 2.95883 1.97064 -94.95127 502.15549
6555.0000 -97.49197 -94.77956 2.71241 1.99075 -94.71605 547.73402
6560.0000 -98.43564 -95.66183 2.77381 1.93900 -95.32131 517.86822
6565.0000 -97.99284 -95.15204 2.84079 1.90328 -95.73907 480.79653
6570.0000 -97.25117 -94.23190 3.01928 1.95119 -95.17869 511.94422
6575.0000 -96.81617 -93.96494 2.85123 2.05391 -93.97737 593.17071
6580.0000 -97.56045 -94.52448 3.03597 2.03088 -94.24668 578.73197
6585.0000 -97.53803 -94.94021 2.59782 1.98813 -94.74672 542.16584
6590.0000 -98.52053 -96.17165 2.34888 1.92275 -95.51139 463.38797
6595.0000 -98.39961 -95.79645 2.60316 1.88545 -95.94761 450.41068
6600.0000 -98.27396 -95.52853 2.74543 1.92314 -95.50676 508.01438
6605.0000 -98.04841 -95.24252 2.80589 1.92483 -95.48702 507.61150
6610.0000 -97.91635 -95.42191 2.49444 1.89747 -95.80707 478.00792
6615.0000 -98.39826 -96.17291 2.22536 1.88517 -95.95092 440.92614
6620.0000 -97.64508 -94.64182 3.00325 1.95409 -95.14477 507.32377
6625.0000 -97.53382 -94.77214 2.76168 1.97618 -94.88651 518.01228
6630.0000 -97.88420 -94.33439 3.54982 1.98403 -94.79464 540.62957
6635.0000 -98.12869 -95.62429 2.50440 1.96368 -95.03260 528.12372
6640.0000 -98.67872 -95.57674 3.10197 1.91200 -95.63710 464.34231
6645.0000 -97.51930 -94.89636 2.62294 1.97279 -94.92612 534.95254
6650.0000 -98.73149 -95.95819 2.77330 1.91399 -95.61384 493.24528
6655.0000 -98.00585 -95.72001 2.28585 1.89038 -95.88999 472.24805
6660.0000 -98.43713 -95.41616 3.02096 1.91140 -95.64411 500.13805
6665.0000 -98.30947 -95.05345 3.25602 1.94064 -95.30218 521.18376
6670.0000 -97.98073 -95.85892 2.12181 1.92922 -95.43572 513.33945
6675.0000 -98.67098 -96.18600 2.48498 1.88427 -95.96141 475.11396
6680.0000 -97.86585 -95.25128 2.61457 1.89681 -95.81481 464.08821
6685.0000 -98.15166 -95.83318 2.31848 1.90475 -95.72187 471.31425
6690.0000 -98.67273 -95.69078 2.98195 1.88035 -96.00728 471.93256
6695.0000 -98.07119 -95.65945 2.41174 1.91186 -95.63879 519.24023
6700.0000 -97.68414 -95.47777 2.20638 1.93385 -95.38152 519.70661
6705.0000 -98.05961 -95.19394 2.86567 1.95559 -95.12728 547.62631
6710.0000 -98.25805 -95.86466 2.39339 1.92341 -95.50369 506.77523
6715.0000 -98.63520 -96.38686 2.24833 1.84038 -96.47477 446.85924
6720.0000 -97.86999 -95.64304 2.22695 1.86098 -96.23388 435.64161
6725.0000 -98.25937 -96.21840 2.04097 1.87443 -96.07650 433.55723
6730.0000 -98.58120 -95.85395 2.72725 1.88386 -95.96627 451.84568
6735.0000 -98.80755 -96.27509 2.53246 1.88700 -95.92949 479.44022
6740.0000 -98.37010 -96.25989 2.11021 1.85128 -96.34726 451.53873
6745.0000 -98.07391 -95.95963 2.11428 1.87646 -96.05279 469.81551
6750.0000 -98.08967 -95.42018 2.66950 1.90552 -95.71289 496.65293
FREEZING PROCESS: loop number 28 T-loop= 475.00000000000000
main_MD> interactions number 28 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50765 -2.36220 1.12259
force_rgl> df(natom) 0.16662 0.90560 -0.08059
6755.0000 -98.46295 -95.60957 2.85338 1.90966 -95.66443 481.35645
6760.0000 -98.48865 -96.33031 2.15834 1.90754 -95.68925 494.74224
6765.0000 -98.15815 -95.55066 2.60748 1.88882 -95.90824 466.44310
6770.0000 -98.81775 -96.54337 2.27438 1.89082 -95.88480 484.24166
6775.0000 -98.41478 -96.00844 2.40635 1.86380 -96.20090 448.71991
6780.0000 -98.16202 -95.52989 2.63213 1.88135 -95.99558 463.95271
6785.0000 -98.56793 -96.08677 2.48117 1.88663 -95.93385 483.18983
6790.0000 -98.30360 -96.05409 2.24951 1.86968 -96.13206 445.15800
6795.0000 -97.88214 -95.63392 2.24822 1.90888 -95.67363 484.16179
6800.0000 -98.20268 -96.07027 2.13241 1.93117 -95.41285 475.84280
6805.0000 -97.65269 -95.04198 2.61070 1.95311 -95.15625 495.53010
6810.0000 -98.09961 -95.44858 2.65103 1.94258 -95.27941 492.32119
6815.0000 -98.41794 -95.37710 3.04084 1.91059 -95.65359 482.83210
6820.0000 -97.85694 -95.43804 2.41890 1.92400 -95.49679 509.65673
6825.0000 -98.24816 -94.95758 3.29058 1.95840 -95.09437 533.21461
6830.0000 -97.96794 -95.90119 2.06674 1.91075 -95.65171 482.06433
6835.0000 -97.81379 -94.94451 2.86928 1.89400 -95.84768 444.66540
6840.0000 -97.74216 -94.57735 3.16481 1.97021 -94.95624 533.52112
6845.0000 -97.69532 -94.94150 2.75382 2.00184 -94.58639 536.39362
6850.0000 -97.20894 -95.05148 2.15746 2.00425 -94.55817 558.27628
6855.0000 -98.22728 -95.43059 2.79669 1.95476 -95.13696 520.61193
6860.0000 -98.15061 -96.37382 1.77679 1.89777 -95.80354 418.88584
6865.0000 -98.36161 -95.93853 2.42308 1.89729 -95.80915 461.10995
6870.0000 -98.19804 -95.29079 2.90725 1.91479 -95.60448 500.65940
6875.0000 -98.08511 -95.38373 2.70138 1.93319 -95.38929 509.22630
6880.0000 -97.44432 -95.13557 2.30875 1.96717 -94.99183 525.97875
6885.0000 -97.67615 -95.16099 2.51516 1.95678 -95.11331 528.38252
6890.0000 -98.25535 -95.99795 2.25740 1.93408 -95.37887 494.40907
6895.0000 -98.28946 -95.93375 2.35570 1.88345 -95.97104 447.80639
6900.0000 -97.92814 -95.23108 2.69706 1.92479 -95.48755 468.43839
6905.0000 -97.52440 -94.40945 3.11494 1.95702 -95.11061 500.43727
6910.0000 -97.74451 -95.56854 2.17597 1.94558 -95.24439 490.04265
6915.0000 -97.89100 -95.37543 2.51557 1.91712 -95.57723 454.57577
6920.0000 -97.74184 -95.92463 1.81721 1.89659 -95.81736 460.21891
6925.0000 -98.24082 -96.20021 2.04060 1.87194 -96.10569 438.44766
6930.0000 -98.21636 -95.49230 2.72406 1.90113 -95.76421 469.58145
6935.0000 -97.92817 -95.24279 2.68538 1.92231 -95.51658 483.42586
6940.0000 -98.88495 -96.50045 2.38451 1.84733 -96.39345 430.56471
6945.0000 -97.77577 -95.69636 2.07941 1.85145 -96.34537 426.97827
6950.0000 -97.97141 -95.51106 2.46035 1.89865 -95.79324 482.07162
6955.0000 -97.53007 -95.03697 2.49310 1.94256 -95.27970 478.81198
6960.0000 -97.78606 -95.12337 2.66269 1.97042 -94.95380 502.87370
6965.0000 -97.87532 -95.56750 2.30782 1.93833 -95.32911 494.08084
6970.0000 -97.97475 -95.28049 2.69426 1.92377 -95.49941 484.85838
6975.0000 -98.48754 -96.06510 2.42244 1.89446 -95.84222 456.56180
6980.0000 -97.85237 -95.11317 2.73920 1.92642 -95.46846 459.58673
6985.0000 -98.16481 -96.10308 2.06173 1.91294 -95.62607 461.89732
6990.0000 -98.28163 -95.79189 2.48974 1.87789 -96.03606 439.57088
6995.0000 -98.36255 -95.27060 3.09194 1.92028 -95.54024 495.03994
7000.0000 -98.04433 -95.64779 2.39654 1.90024 -95.77464 465.35061
FREEZING PROCESS: loop number 29 T-loop= 450.00000000000000
main_MD> interactions number 29 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.69559 -0.59792 -0.18066
force_rgl> df(natom) -5.50779 -0.18135 2.46079
7005.0000 -98.37009 -96.24690 2.12319 1.88692 -95.93041 451.52074
7010.0000 -97.97333 -95.77648 2.19686 1.90384 -95.73258 458.49101
7015.0000 -98.68161 -96.00557 2.67605 1.87624 -96.05535 447.78288
7020.0000 -97.49276 -94.77260 2.72016 1.94023 -95.30695 504.97697
7025.0000 -98.16589 -95.90020 2.26569 1.93732 -95.34093 478.67217
7030.0000 -98.48731 -96.03744 2.44987 1.87092 -96.11764 433.05445
7035.0000 -98.91519 -96.45163 2.46356 1.87716 -96.04455 424.08286
7040.0000 -98.96559 -96.43728 2.52831 1.85348 -96.32162 430.60575
7045.0000 -97.98676 -95.87180 2.11496 1.85475 -96.30668 433.43638
7050.0000 -98.36950 -96.08533 2.28417 1.88403 -95.96427 474.67177
7055.0000 -98.61896 -96.29150 2.32745 1.86540 -96.18218 443.74808
7060.0000 -97.69657 -95.47932 2.21725 1.88921 -95.90371 460.10232
7065.0000 -98.16996 -95.03835 3.13161 1.94264 -95.27869 517.14865
7070.0000 -97.83316 -95.64487 2.18829 1.91618 -95.58824 478.26856
7075.0000 -98.31035 -95.31400 2.99635 1.91391 -95.61474 477.38112
7080.0000 -98.39912 -96.24586 2.15326 1.87818 -96.03263 443.94926
7085.0000 -98.48030 -96.41585 2.06445 1.87118 -96.11454 419.34806
7090.0000 -98.09007 -96.46951 1.62056 1.84982 -96.36436 442.88529
7095.0000 -98.37904 -95.65479 2.72425 1.88615 -95.93948 476.91480
7100.0000 -98.86313 -96.36009 2.50304 1.86327 -96.20701 463.99491
7105.0000 -98.57578 -96.24149 2.33430 1.87470 -96.07339 485.43506
7110.0000 -98.40829 -95.86545 2.54284 1.89468 -95.83970 493.77263
7115.0000 -98.33225 -96.21451 2.11775 1.89463 -95.84028 456.80539
7120.0000 -98.03688 -96.09298 1.94390 1.83941 -96.48610 399.16600
7125.0000 -97.65213 -95.45860 2.19353 1.93327 -95.38832 507.71627
7130.0000 -98.13640 -95.71761 2.41879 1.88627 -95.93806 448.04755
7135.0000 -98.53935 -95.75857 2.78078 1.90159 -95.75887 456.35230
7140.0000 -98.47988 -96.00817 2.47170 1.88750 -95.92371 443.79802
7145.0000 -97.79229 -95.96573 1.82656 1.88382 -95.96671 449.36153
7150.0000 -98.04687 -95.94357 2.10329 1.87640 -96.05351 443.58460
7155.0000 -98.68350 -96.06956 2.61394 1.89615 -95.82246 469.94792
7160.0000 -98.35132 -95.98949 2.36183 1.90448 -95.72506 488.25024
7165.0000 -98.15117 -95.78026 2.37092 1.89818 -95.79878 455.87259
7170.0000 -98.22159 -96.04744 2.17415 1.89016 -95.89258 437.47395
7175.0000 -98.53703 -96.02061 2.51642 1.88846 -95.91239 446.97290
7180.0000 -98.52209 -96.23728 2.28481 1.86572 -96.17846 413.66753
7185.0000 -98.18402 -95.71286 2.47116 1.88540 -95.94821 443.01271
7190.0000 -98.02093 -95.90946 2.11147 1.88778 -95.92040 452.52604
7195.0000 -97.61603 -95.52428 2.09174 1.88810 -95.91671 436.30141
7200.0000 -98.26851 -96.18848 2.08003 1.92655 -95.46699 473.04247
7205.0000 -98.14250 -95.51590 2.62660 1.90937 -95.66792 494.87212
7210.0000 -98.38601 -95.78999 2.59603 1.91913 -95.55367 473.55491
7215.0000 -98.30305 -95.68567 2.61738 1.89610 -95.82313 469.73815
7220.0000 -98.24712 -96.11679 2.13032 1.89187 -95.87250 468.02219
7225.0000 -98.06574 -96.04751 2.01823 1.90200 -95.75404 462.07882
7230.0000 -97.96378 -95.36577 2.59801 1.89369 -95.85129 457.16612
7235.0000 -98.10036 -95.60847 2.49189 1.92484 -95.48695 490.21974
7240.0000 -98.24466 -96.28125 1.96341 1.88686 -95.93113 454.71541
7245.0000 -98.20638 -96.53757 1.66881 1.81751 -96.74222 368.04401
7250.0000 -98.70011 -96.39516 2.30495 1.86727 -96.16030 429.63005
FREEZING PROCESS: loop number 30 T-loop= 425.00000000000000
main_MD> interactions number 30 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04178 -2.46667 0.01000
force_rgl> df(natom) 1.88074 -1.08791 -0.34197
7255.0000 -98.47312 -96.22543 2.24769 1.85038 -96.35786 421.05259
7260.0000 -98.08706 -95.47042 2.61663 1.89535 -95.83183 435.59261
7265.0000 -98.44027 -96.13633 2.30394 1.88684 -95.93137 431.51184
7270.0000 -98.38624 -96.25363 2.13261 1.87624 -96.05536 432.59946
7275.0000 -98.15941 -95.52014 2.63927 1.88602 -95.94095 440.87296
7280.0000 -98.71363 -96.40857 2.30506 1.88529 -95.94954 461.96927
7285.0000 -98.46829 -96.45893 2.00937 1.83473 -96.54087 436.47814
7290.0000 -98.98285 -96.76898 2.21387 1.81234 -96.80276 391.62386
7295.0000 -98.76117 -96.49563 2.26554 1.83390 -96.55053 413.64955
7300.0000 -98.13537 -96.10611 2.02927 1.86490 -96.18795 434.61119
7305.0000 -99.19163 -96.70697 2.48466 1.86441 -96.19372 449.98189
7310.0000 -98.89867 -96.66062 2.23805 1.82237 -96.68544 417.44286
7315.0000 -98.69043 -96.85792 1.83251 1.84914 -96.37229 435.07166
7320.0000 -98.93791 -97.02837 1.90953 1.81947 -96.71938 414.05445
7325.0000 -99.22457 -96.71028 2.51429 1.79111 -97.05109 373.33657
7330.0000 -98.26835 -96.37021 1.89814 1.82968 -96.59991 410.28551
7335.0000 -98.11994 -95.79954 2.32040 1.88566 -95.94521 447.81189
7340.0000 -97.79955 -95.12374 2.67582 1.91175 -95.64006 480.84261
7345.0000 -98.37263 -95.64268 2.72995 1.93572 -95.35970 500.45150
7350.0000 -98.33449 -96.43698 1.89751 1.88128 -95.99643 455.67100
7355.0000 -98.44862 -96.15073 2.29789 1.85933 -96.25320 444.33362
7360.0000 -98.04776 -95.40333 2.64443 1.88148 -95.99409 461.53268
7365.0000 -98.89391 -96.72628 2.16763 1.88154 -95.99332 490.24226
7370.0000 -98.85039 -96.98805 1.86233 1.80152 -96.92929 422.01532
7375.0000 -98.69363 -95.96161 2.73202 1.82049 -96.70740 438.09046
7380.0000 -98.20261 -96.19603 2.00658 1.88782 -95.91993 499.71915
7385.0000 -98.88990 -96.46766 2.42225 1.84079 -96.46996 434.57523
7390.0000 -98.87092 -96.60135 2.26957 1.85963 -96.24966 471.69554
7395.0000 -99.35481 -97.20933 2.14548 1.82762 -96.62402 445.25452
7400.0000 -98.91323 -96.51231 2.40091 1.80563 -96.88124 434.37740
7405.0000 -98.96613 -96.69714 2.26898 1.83211 -96.57148 448.92965
7410.0000 -99.41066 -97.09084 2.31982 1.79683 -96.98412 413.51651
7415.0000 -99.05416 -97.02517 2.02899 1.80892 -96.84277 422.44609
7420.0000 -99.25420 -97.18555 2.06865 1.80015 -96.94531 419.03625
7425.0000 -99.03922 -97.07628 1.96294 1.78724 -97.09628 410.38999
7430.0000 -99.24815 -96.76390 2.48425 1.78777 -97.09012 408.50178
7435.0000 -98.91301 -96.93057 1.98245 1.81699 -96.74839 439.92324
7440.0000 -98.74406 -96.38679 2.35727 1.82625 -96.64001 453.03566
7445.0000 -98.81379 -96.39493 2.41886 1.83250 -96.56700 447.90613
7450.0000 -99.26986 -97.10261 2.16725 1.83096 -96.58500 438.78866
7455.0000 -99.13947 -97.03771 2.10176 1.78408 -97.13333 397.62240
7460.0000 -98.28567 -96.40692 1.87875 1.82854 -96.61326 447.99277
7465.0000 -98.97923 -97.10788 1.87135 1.81680 -96.75062 396.74861
7470.0000 -98.62366 -96.46454 2.15913 1.79716 -96.98024 369.98369
7475.0000 -99.03787 -96.74554 2.29232 1.84179 -96.45833 419.64911
7480.0000 -98.72953 -96.75603 1.97350 1.83465 -96.54181 429.76319
7485.0000 -98.56624 -96.34505 2.22118 1.82997 -96.59653 424.16692
7490.0000 -98.44934 -95.71706 2.73228 1.88534 -95.94889 481.23093
7495.0000 -98.08487 -95.72486 2.36001 1.90642 -95.70241 475.28003
7500.0000 -98.65371 -96.26412 2.38959 1.87357 -96.08662 447.46014
FREEZING PROCESS: loop number 31 T-loop= 400.00000000000000
main_MD> interactions number 31 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.95169 1.76964 0.72512
force_rgl> df(natom) -0.14781 1.79766 -1.22089
7505.0000 -98.31205 -95.85388 2.45817 1.88893 -95.90695 455.39542
7510.0000 -98.86604 -97.16790 1.69814 1.83195 -96.57339 389.18019
7515.0000 -98.66075 -97.09921 1.56154 1.79697 -96.98251 340.60137
7520.0000 -98.71243 -96.64894 2.06349 1.81731 -96.74462 369.70106
7525.0000 -98.53371 -96.47551 2.05820 1.83471 -96.54111 383.51180
7530.0000 -98.46502 -95.97084 2.49418 1.87333 -96.08942 441.31614
7535.0000 -98.18572 -96.08100 2.10472 1.88869 -95.90979 441.03109
7540.0000 -98.43956 -96.23222 2.20734 1.85538 -96.29933 412.75126
7545.0000 -98.64930 -96.27420 2.37510 1.84239 -96.45126 402.62870
7550.0000 -98.87736 -96.92359 1.95377 1.83116 -96.58263 404.32920
7555.0000 -98.34062 -96.27500 2.06562 1.85303 -96.32685 432.51384
7560.0000 -98.43361 -96.41670 2.01691 1.84527 -96.41756 412.46044
7565.0000 -98.77752 -96.61418 2.16334 1.85584 -96.29400 429.20924
7570.0000 -98.87951 -96.91478 1.96472 1.83616 -96.52411 414.82287
7575.0000 -98.79240 -96.58919 2.20321 1.80609 -96.87583 399.91450
7580.0000 -99.07841 -97.07042 2.00799 1.81609 -96.75891 410.11720
7585.0000 -99.43934 -97.38429 2.05505 1.77321 -97.26044 373.92487
7590.0000 -98.66401 -97.09407 1.56994 1.77786 -97.20599 371.19594
7595.0000 -99.42419 -97.59343 1.83076 1.79819 -96.96822 395.56771
7600.0000 -99.11789 -97.35594 1.76195 1.72290 -97.84884 301.80579
7605.0000 -98.65559 -96.99188 1.66371 1.79279 -97.03142 344.69689
7610.0000 -99.50540 -98.11574 1.38966 1.77082 -97.28842 338.97553
7615.0000 -99.21606 -97.33092 1.88514 1.72587 -97.81409 315.27298
7620.0000 -98.40621 -96.84666 1.55956 1.77152 -97.28022 360.74775
7625.0000 -98.58727 -96.37310 2.21417 1.82624 -96.64018 421.86340
7630.0000 -98.39051 -96.84097 1.54955 1.83147 -96.57903 415.81328
7635.0000 -98.96425 -96.84916 2.11509 1.82714 -96.62963 428.24437
7640.0000 -99.01693 -97.03787 1.97906 1.80533 -96.88469 414.89639
7645.0000 -99.32734 -96.82760 2.49974 1.79988 -96.94849 394.25572
7650.0000 -99.25284 -96.92867 2.32417 1.78251 -97.15159 373.28832
7655.0000 -98.83893 -97.13938 1.69955 1.79236 -97.03642 377.45524
7660.0000 -99.24415 -97.25335 1.99080 1.77987 -97.18249 375.27428
7665.0000 -99.18092 -97.03200 2.14891 1.77045 -97.29271 374.96530
7670.0000 -99.35338 -97.34690 2.00648 1.76569 -97.34831 363.53172
7675.0000 -99.27871 -97.48448 1.79424 1.75312 -97.49540 343.97688
7680.0000 -99.09672 -97.22857 1.86815 1.77401 -97.25107 363.32479
7685.0000 -98.93043 -96.85781 2.07262 1.80039 -96.94254 382.70434
7690.0000 -98.81155 -96.62055 2.19100 1.80152 -96.92933 386.84993
7695.0000 -98.52713 -96.81608 1.71106 1.81542 -96.76672 372.69587
7700.0000 -99.09460 -96.48455 2.61005 1.83149 -96.57879 399.55992
7705.0000 -98.74088 -96.26534 2.47555 1.84741 -96.39260 425.97404
7710.0000 -98.67742 -96.62071 2.05671 1.84616 -96.40724 413.70472
7715.0000 -98.74971 -96.35632 2.39340 1.83539 -96.53310 405.04416
7720.0000 -98.91983 -96.97124 1.94859 1.81954 -96.71852 410.99572
7725.0000 -99.18162 -96.92578 2.25583 1.79241 -97.03580 384.82053
7730.0000 -98.76908 -96.48193 2.28715 1.81851 -96.73054 416.49141
7735.0000 -99.13396 -97.04144 2.09253 1.79778 -96.97306 397.18507
7740.0000 -99.25021 -97.41802 1.83219 1.78391 -97.13528 374.27402
7745.0000 -99.28782 -97.26106 2.02676 1.74242 -97.62050 335.00427
7750.0000 -99.30293 -97.19538 2.10755 1.77807 -97.20351 372.65561
FREEZING PROCESS: loop number 32 T-loop= 375.00000000000000
main_MD> interactions number 32 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25206 -0.37700 -0.41312
force_rgl> df(natom) -0.61815 0.18098 0.28530
7755.0000 -99.25496 -97.08851 2.16645 1.78875 -97.07869 387.64397
7760.0000 -98.91436 -96.59223 2.32213 1.79598 -96.99412 390.59347
7765.0000 -98.87642 -97.06983 1.80660 1.79054 -97.05776 385.96043
7770.0000 -98.63589 -96.73181 1.90408 1.79240 -97.03595 382.42682
7775.0000 -98.88917 -97.10375 1.78542 1.79110 -97.05122 379.26327
7780.0000 -99.13468 -96.87729 2.25739 1.79694 -96.98286 388.46008
7785.0000 -98.87244 -96.93563 1.93681 1.79295 -97.02951 378.38224
7790.0000 -99.16810 -96.86374 2.30436 1.79922 -96.95619 378.40682
7795.0000 -99.21204 -97.14628 2.06576 1.78647 -97.10532 364.00895
7800.0000 -98.53618 -96.61640 1.91978 1.80087 -96.93694 392.08441
7805.0000 -98.85216 -97.01410 1.83806 1.79302 -97.02868 382.95048
7810.0000 -99.37660 -97.87961 1.49699 1.75776 -97.44106 347.43824
7815.0000 -99.14855 -97.33098 1.81757 1.74766 -97.55920 345.93272
7820.0000 -99.18604 -97.56709 1.61895 1.77457 -97.24452 370.01699
7825.0000 -99.12614 -97.06588 2.06027 1.75737 -97.44567 350.19473
7830.0000 -99.23408 -97.51456 1.71952 1.76562 -97.34914 355.72407
7835.0000 -99.44190 -97.80094 1.64096 1.75202 -97.50827 348.91229
7840.0000 -98.85494 -97.15135 1.70359 1.73295 -97.73132 324.17864
7845.0000 -98.87862 -96.87206 2.00656 1.76588 -97.34613 363.01358
7850.0000 -99.37903 -97.08830 2.29073 1.78528 -97.11921 390.48085
7855.0000 -98.69597 -97.01279 1.68318 1.77235 -97.27051 354.60438
7860.0000 -99.37241 -97.32729 2.04512 1.77245 -97.26932 364.34328
7865.0000 -98.84293 -96.91580 1.92712 1.80279 -96.91444 399.80374
7870.0000 -98.90076 -96.94644 1.95432 1.79846 -96.96506 396.31786
7875.0000 -99.50651 -97.32934 2.17716 1.78265 -97.15006 378.65707
7880.0000 -99.29377 -97.13986 2.15391 1.77500 -97.23945 360.82896
7885.0000 -98.55190 -96.60447 1.94743 1.80167 -96.92754 370.94981
7890.0000 -99.50073 -97.67831 1.82243 1.77246 -97.26924 346.73313
7895.0000 -98.98049 -97.52137 1.45911 1.73265 -97.73484 324.84968
7900.0000 -99.15720 -97.35926 1.79794 1.77243 -97.26952 371.78662
7905.0000 -99.14273 -97.02817 2.11456 1.77201 -97.27441 353.72754
7910.0000 -99.09300 -97.47248 1.62052 1.78799 -97.08753 361.38609
7915.0000 -99.10243 -97.03055 2.07188 1.76516 -97.35460 341.10200
7920.0000 -98.85284 -97.01428 1.83856 1.77921 -97.19021 358.60633
7925.0000 -98.75457 -96.44371 2.31085 1.80932 -96.83809 390.17825
7930.0000 -98.76201 -96.39026 2.37174 1.85476 -96.30664 437.32962
7935.0000 -98.82692 -96.95528 1.87164 1.81383 -96.78531 402.65729
7940.0000 -98.74395 -97.11846 1.62549 1.80995 -96.83073 398.40313
7945.0000 -98.79188 -96.84148 1.95040 1.80087 -96.93688 371.13243
7950.0000 -98.77911 -96.81867 1.96044 1.81004 -96.82968 379.45144
7955.0000 -98.51365 -96.65247 1.86118 1.80231 -96.92010 363.36030
7960.0000 -98.55784 -97.01218 1.54566 1.80693 -96.86596 377.85761
7965.0000 -98.80577 -97.04411 1.76166 1.80943 -96.83675 388.09962
7970.0000 -99.12346 -97.49928 1.62418 1.77718 -97.21396 348.31624
7975.0000 -98.97383 -96.74190 2.23193 1.80482 -96.89068 356.35487
7980.0000 -98.89459 -96.90285 1.99175 1.81837 -96.73221 379.93958
7985.0000 -98.57444 -96.89992 1.67452 1.82107 -96.70064 385.33208
7990.0000 -99.24306 -97.46492 1.77814 1.77378 -97.25379 331.23128
7995.0000 -99.37544 -97.06557 2.30988 1.75276 -97.49962 330.80723
8000.0000 -99.04509 -97.06911 1.97598 1.79800 -96.97043 380.09307
FREEZING PROCESS: loop number 33 T-loop= 350.00000000000000
main_MD> interactions number 33 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.28845 0.15308 0.05847
force_rgl> df(natom) -0.45618 1.16453 2.36181
8005.0000 -98.99784 -97.07902 1.91882 1.80192 -96.92467 378.76225
8010.0000 -98.81948 -97.17955 1.63993 1.77330 -97.25937 347.92285
8015.0000 -98.92276 -97.33916 1.58360 1.76598 -97.34495 339.20357
8020.0000 -98.76199 -97.18824 1.57375 1.77361 -97.25571 346.23227
8025.0000 -98.92602 -96.66469 2.26133 1.81404 -96.78284 382.01741
8030.0000 -99.37600 -97.31918 2.05682 1.80396 -96.90070 383.69259
8035.0000 -99.35426 -97.71350 1.64076 1.75302 -97.49656 341.83641
8040.0000 -99.40324 -97.87652 1.52672 1.71477 -97.94393 305.78694
8045.0000 -99.39716 -97.78758 1.60958 1.72804 -97.78873 315.63893
8050.0000 -99.09148 -97.42801 1.66347 1.74623 -97.57600 318.99377
8055.0000 -98.69569 -97.08276 1.61293 1.78326 -97.14283 363.60815
8060.0000 -99.04129 -97.38645 1.65484 1.76467 -97.36027 335.91364
8065.0000 -99.04109 -97.07212 1.96897 1.79774 -96.97355 376.74587
8070.0000 -99.01991 -97.78042 1.23949 1.76863 -97.31395 335.69421
8075.0000 -98.89572 -97.15932 1.73640 1.75841 -97.43354 334.70410
8080.0000 -98.50978 -96.89577 1.61401 1.78869 -97.07941 358.82409
8085.0000 -98.94280 -97.41816 1.52464 1.78042 -97.17612 347.26416
8090.0000 -99.05604 -97.39071 1.66533 1.74954 -97.53729 331.00230
8095.0000 -99.29851 -97.74701 1.55149 1.74833 -97.55147 331.02913
8100.0000 -99.15646 -97.56321 1.59325 1.73369 -97.72264 316.14249
8105.0000 -99.19395 -96.99377 2.20018 1.77841 -97.19960 371.34869
8110.0000 -99.21475 -97.57108 1.64367 1.75060 -97.52485 332.62849
8115.0000 -99.46225 -97.90413 1.55813 1.74453 -97.59581 319.54407
8120.0000 -99.38081 -98.22492 1.15589 1.71550 -97.93540 292.21387
8125.0000 -99.21087 -97.70912 1.50175 1.72676 -97.80367 293.00927
8130.0000 -99.21516 -97.38013 1.83503 1.74773 -97.55847 321.24493
8135.0000 -99.08689 -97.43690 1.64999 1.75444 -97.47993 322.41396
8140.0000 -99.09984 -97.26979 1.83006 1.77643 -97.22275 349.03417
8145.0000 -98.37733 -96.65549 1.72183 1.79762 -96.97493 362.16172
8150.0000 -99.18545 -97.06364 2.12180 1.80248 -96.91803 387.51848
8155.0000 -99.04623 -97.13673 1.90950 1.78653 -97.10460 375.89866
8160.0000 -99.26514 -97.36233 1.90281 1.76570 -97.34828 355.09396
8165.0000 -99.26721 -97.46216 1.80505 1.78420 -97.13190 364.23823
8170.0000 -98.92732 -97.47349 1.45383 1.74835 -97.55120 335.81034
8175.0000 -99.43598 -97.58577 1.85021 1.74465 -97.59440 335.41380
8180.0000 -99.12450 -97.64949 1.47502 1.75134 -97.51623 352.75877
8185.0000 -99.18679 -97.25849 1.92830 1.76172 -97.39477 353.69691
8190.0000 -99.27676 -97.79192 1.48485 1.73283 -97.73270 319.90941
8195.0000 -99.09508 -97.59845 1.49663 1.76221 -97.38905 346.49326
8200.0000 -99.29544 -97.70297 1.59248 1.75189 -97.50977 338.90356
8205.0000 -98.94513 -97.29717 1.64796 1.74716 -97.56509 330.28671
8210.0000 -98.91101 -96.62478 2.28623 1.78565 -97.11493 375.63349
8215.0000 -99.17095 -97.72145 1.44951 1.77631 -97.22413 352.94422
8220.0000 -99.25007 -97.68198 1.56809 1.74939 -97.53901 318.90579
8225.0000 -98.99420 -97.51137 1.48283 1.75701 -97.44986 331.67285
8230.0000 -99.24727 -97.86504 1.38223 1.73029 -97.76236 308.82775
8235.0000 -99.05210 -97.40346 1.64864 1.74631 -97.57505 321.24626
8240.0000 -99.54815 -97.65855 1.88959 1.74891 -97.54468 321.31344
8245.0000 -98.90600 -97.01199 1.89400 1.75445 -97.47986 316.96004
8250.0000 -99.09507 -97.29985 1.79522 1.77385 -97.25295 337.79201
FREEZING PROCESS: loop number 34 T-loop= 325.00000000000000
main_MD> interactions number 34 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.86941 -1.04687 -0.43096
force_rgl> df(natom) 1.19390 -0.35228 0.81396
8255.0000 -99.11905 -97.63011 1.48895 1.77416 -97.24928 338.88970
8260.0000 -99.25120 -97.28658 1.96462 1.75241 -97.50369 328.20266
8265.0000 -99.08219 -97.34317 1.73902 1.75630 -97.45823 350.21337
8270.0000 -99.13036 -97.29708 1.83328 1.76454 -97.36176 348.94557
8275.0000 -99.12735 -97.45606 1.67129 1.78025 -97.17803 363.47025
8280.0000 -99.22886 -97.66645 1.56241 1.76391 -97.36924 342.52711
8285.0000 -99.34331 -97.98854 1.35477 1.73820 -97.66993 313.83104
8290.0000 -99.51879 -98.14345 1.37534 1.70669 -98.03842 296.23482
8295.0000 -99.26749 -97.44282 1.82467 1.72478 -97.82690 306.02384
8300.0000 -99.15308 -97.26056 1.89252 1.74248 -97.61978 340.34792
8305.0000 -99.34898 -97.68480 1.66418 1.75221 -97.50604 349.49021
8310.0000 -99.02457 -97.11029 1.91428 1.75919 -97.42444 361.60525
8315.0000 -99.45082 -97.60385 1.84697 1.73652 -97.68958 334.09746
8320.0000 -99.26992 -97.33704 1.93288 1.73990 -97.65005 340.18648
8325.0000 -99.38005 -97.99090 1.38914 1.72605 -97.81204 318.17212
8330.0000 -99.62547 -97.61655 2.00892 1.72528 -97.82101 323.49437
8335.0000 -99.87214 -98.29206 1.58008 1.71636 -97.92532 315.97744
8340.0000 -99.48169 -97.44770 2.03398 1.72555 -97.81790 312.58785
8345.0000 -99.65485 -97.44755 2.20730 1.75903 -97.42623 360.08091
8350.0000 -99.63082 -98.32104 1.30977 1.71647 -97.92399 312.22736
8355.0000 -99.83683 -97.93505 1.90178 1.70078 -98.10753 294.40469
8360.0000 -99.37238 -97.70145 1.67093 1.71759 -97.91090 307.14304
8365.0000 -99.43163 -97.93015 1.50148 1.72345 -97.84243 316.91692
8370.0000 -99.72465 -98.08208 1.64257 1.71811 -97.90490 308.74266
8375.0000 -99.35463 -97.72703 1.62760 1.71945 -97.88918 317.21273
8380.0000 -99.18982 -97.90339 1.28642 1.71930 -97.89092 316.10639
8385.0000 -99.12988 -97.17909 1.95079 1.73485 -97.70904 331.60828
8390.0000 -99.09891 -97.46690 1.63201 1.74773 -97.55844 343.91178
8395.0000 -99.23840 -97.80060 1.43779 1.74849 -97.54955 354.51068
8400.0000 -99.47170 -97.84058 1.63112 1.72259 -97.85249 311.10279
8405.0000 -99.70028 -98.06747 1.63281 1.71829 -97.90271 309.63030
8410.0000 -99.73935 -97.87090 1.86845 1.71681 -97.92010 317.83253
8415.0000 -99.07691 -97.53989 1.53702 1.73415 -97.71722 327.58084
8420.0000 -99.46235 -98.06310 1.39926 1.72419 -97.83371 309.43370
8425.0000 -99.52963 -98.23650 1.29313 1.69693 -98.15264 279.26990
8430.0000 -99.70234 -97.79799 1.90435 1.70844 -98.01799 303.54921
8435.0000 -99.54980 -98.02964 1.52016 1.73397 -97.71932 318.77565
8440.0000 -99.64534 -97.82107 1.82427 1.72932 -97.77375 310.54713
8445.0000 -99.34425 -97.66525 1.67899 1.71777 -97.90884 286.95063
8450.0000 -99.09438 -97.41527 1.67911 1.74388 -97.60345 320.05127
8455.0000 -99.25537 -97.38813 1.86724 1.76536 -97.35218 337.35265
8460.0000 -99.06259 -97.20096 1.86163 1.75265 -97.50090 318.48306
8465.0000 -99.11999 -97.55156 1.56843 1.75395 -97.48568 328.67965
8470.0000 -99.22128 -97.52237 1.69890 1.74950 -97.53768 318.53062
8475.0000 -99.06405 -97.53731 1.52674 1.74909 -97.54257 330.23515
8480.0000 -99.27814 -97.52263 1.75551 1.73885 -97.66229 314.12107
8485.0000 -99.38415 -97.45918 1.92497 1.77192 -97.27549 364.22624
8490.0000 -99.91528 -98.45138 1.46390 1.72970 -97.76927 331.99515
8495.0000 -99.56841 -97.56992 1.99849 1.71564 -97.93380 320.00135
8500.0000 -99.65532 -98.01965 1.63567 1.72551 -97.81827 322.50128
FREEZING PROCESS: loop number 35 T-loop= 300.00000000000000
main_MD> interactions number 35 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.27342 0.10453 1.12034
force_rgl> df(natom) 0.97968 -1.35020 -2.96069
8505.0000 -99.82124 -98.65087 1.17037 1.68564 -98.28460 277.91606
8510.0000 -99.34618 -97.63779 1.70840 1.69932 -98.12461 288.94844
8515.0000 -99.35487 -97.65997 1.69491 1.72891 -97.77853 325.66082
8520.0000 -99.48997 -97.89788 1.59209 1.73293 -97.73156 330.67392
8525.0000 -99.68283 -98.39400 1.28883 1.70972 -98.00294 316.01064
8530.0000 -99.60961 -98.21123 1.39839 1.67950 -98.35640 276.65537
8535.0000 -99.80316 -98.27853 1.52463 1.69162 -98.21468 281.64139
8540.0000 -99.84792 -98.14570 1.70221 1.69095 -98.22250 285.43831
8545.0000 -99.74270 -98.26053 1.48217 1.71498 -97.94148 310.68461
8550.0000 -99.45890 -98.06500 1.39390 1.69073 -98.22505 282.62341
8555.0000 -100.00965 -98.28725 1.72240 1.68863 -98.24966 289.08988
8560.0000 -99.53055 -97.81518 1.71537 1.69665 -98.15581 291.03704
8565.0000 -99.47001 -97.79812 1.67189 1.72284 -97.84956 313.47499
8570.0000 -99.64368 -98.19438 1.44930 1.71602 -97.92932 313.39148
8575.0000 -99.33121 -97.53295 1.79826 1.72071 -97.87440 318.35044
8580.0000 -99.39520 -97.86812 1.52708 1.72719 -97.79862 327.45801
8585.0000 -99.66123 -98.05213 1.60910 1.71921 -97.89200 316.23685
8590.0000 -99.37375 -97.69582 1.67793 1.71376 -97.95570 311.23108
8595.0000 -99.64052 -97.95623 1.68428 1.73123 -97.75141 325.01603
8600.0000 -99.45602 -97.85731 1.59871 1.72190 -97.86051 319.39697
8605.0000 -99.59132 -98.08982 1.50150 1.70553 -98.05201 305.62441
8610.0000 -99.77492 -98.30315 1.47176 1.68478 -98.29467 279.94299
8615.0000 -99.57111 -98.27140 1.29971 1.68754 -98.26241 283.73327
8620.0000 -99.66526 -98.23365 1.43161 1.69066 -98.22597 284.26298
8625.0000 -99.15607 -97.14408 2.01199 1.71886 -97.89607 313.42348
8630.0000 -99.01765 -97.41098 1.60667 1.78694 -97.09984 382.23748
8635.0000 -99.64453 -98.12202 1.52251 1.73056 -97.75925 330.57498
8640.0000 -99.59161 -98.08074 1.51087 1.69809 -98.13906 299.98657
8645.0000 -99.26472 -97.71283 1.55189 1.70584 -98.04835 304.28930
8650.0000 -99.42391 -97.67548 1.74843 1.73580 -97.69797 331.09294
8655.0000 -99.57567 -97.89329 1.68238 1.74605 -97.57812 343.72702
8660.0000 -99.32847 -97.88684 1.44163 1.71841 -97.90131 312.26909
8665.0000 -99.15901 -97.37710 1.78190 1.74089 -97.63847 336.46554
8670.0000 -99.49089 -97.48159 2.00929 1.74950 -97.53768 340.39566
8675.0000 -99.24577 -97.47602 1.76975 1.74203 -97.62508 339.74844
8680.0000 -99.70553 -98.19636 1.50917 1.70181 -98.09551 299.71450
8685.0000 -99.89112 -98.28828 1.60284 1.68926 -98.24233 284.65399
8690.0000 -98.96523 -97.62003 1.34521 1.70522 -98.05559 300.19806
8695.0000 -99.25650 -97.84382 1.41269 1.73582 -97.69768 333.40579
8700.0000 -99.43978 -97.82849 1.61129 1.71523 -97.93861 317.51722
8705.0000 -99.96711 -98.58441 1.38270 1.68295 -98.31606 279.75512
8710.0000 -99.66883 -98.17723 1.49160 1.68831 -98.25344 282.01061
8715.0000 -99.58592 -97.91370 1.67223 1.70618 -98.04441 300.09019
8720.0000 -99.43725 -97.52754 1.90970 1.72153 -97.86488 325.59374
8725.0000 -99.21233 -97.77679 1.43554 1.75619 -97.45945 348.57307
8730.0000 -99.22219 -97.87077 1.35142 1.73005 -97.76524 312.87368
8735.0000 -99.38934 -97.93698 1.45236 1.73078 -97.75662 294.65607
8740.0000 -99.55908 -97.55378 2.00530 1.73672 -97.68719 309.04938
8745.0000 -99.44339 -97.87514 1.56825 1.73951 -97.65461 303.64036
8750.0000 -99.65057 -98.10999 1.54058 1.71790 -97.90731 296.93025
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 24.8300545 [s].
main_MD> Deallocating global variables
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