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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_88/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_88.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 = 88 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 88 8800
main_MD> Size of nv and nvoiz: 88 8800
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 = 88
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.10099554254463718 -4.1120439664509754E-002 -0.12405606130834715 initial drift of cluster / NP1 for coalescence
init> 0.33224209727611415 0.35402694328575640 0.33625495023532842 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7192317130580674E-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) 0.60011 1.45432 -1.25542
force_rgl> df(natom) 1.34456 0.87408 -1.92753
preparo> THERMALIZATION PROCESS AT 1200.6385015657941
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -193.78699359049639 13.581679400634075 -207.36867299113047 7.0017422743557365E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
FREEZING PROCESS: loop number 1 T-loop= 1175.0000000000000
main_MD> interactions number 1 at Temperature= 1175.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.81390 -1.34810 -0.55908
force_rgl> df(natom) 1.71629 1.08516 1.87996
5.0000 -209.50065 -197.47621 12.02443 3.21660 -195.96160 1149.56139
10.0000 -209.04102 -196.44924 12.59179 3.18185 -196.64910 1156.64347
15.0000 -210.33884 -196.22075 14.11810 3.21461 -196.00105 1172.58227
20.0000 -208.52121 -194.91503 13.60618 3.26118 -195.07964 1205.17821
25.0000 -207.36610 -195.05095 12.31515 3.27892 -194.72863 1213.41750
30.0000 -207.82478 -196.56705 11.25773 3.18815 -196.52458 1128.38142
35.0000 -208.86549 -195.63591 13.22959 3.27386 -194.82874 1216.88897
40.0000 -208.09551 -194.42076 13.67475 3.20300 -196.23078 1159.93873
45.0000 -208.81482 -195.85453 12.96029 3.29302 -194.44976 1233.01959
50.0000 -209.89908 -196.34480 13.55428 3.26478 -195.00843 1186.14221
55.0000 -208.72165 -197.69013 11.03152 3.19535 -196.38201 1136.91755
60.0000 -208.99753 -197.92764 11.06989 3.16921 -196.89920 1121.97526
65.0000 -208.90452 -194.43558 14.46894 3.19837 -196.32223 1124.84942
70.0000 -210.33375 -196.19811 14.13565 3.31333 -194.04786 1194.74826
75.0000 -208.72120 -193.75131 14.96989 3.26031 -195.09686 1228.29007
80.0000 -207.00136 -192.06005 14.94131 3.33163 -193.68593 1256.85557
85.0000 -207.45740 -193.99590 13.46150 3.44880 -191.36775 1284.55014
90.0000 -209.91159 -196.66509 13.24649 3.29758 -194.35947 1187.04951
95.0000 -210.07597 -195.26843 14.80755 3.26205 -195.06256 1177.57160
100.0000 -209.78545 -195.48515 14.30029 3.21498 -195.99380 1194.56585
105.0000 -210.68550 -196.45288 14.23262 3.31271 -194.06028 1236.60497
110.0000 -207.86277 -194.23435 13.62842 3.24489 -195.40187 1150.06545
115.0000 -208.60537 -195.24892 13.35645 3.27386 -194.82889 1198.52640
120.0000 -208.06072 -194.65502 13.40570 3.28483 -194.61186 1205.42293
125.0000 -207.90515 -193.61399 14.29116 3.36197 -193.08554 1238.18112
130.0000 -208.47678 -195.04914 13.42764 3.29510 -194.40853 1227.98911
135.0000 -209.11777 -195.68488 13.43289 3.18834 -196.52076 1145.54425
140.0000 -209.53049 -197.33592 12.19456 3.20673 -196.15683 1165.68534
145.0000 -208.72490 -195.53244 13.19246 3.20123 -196.26583 1152.01226
150.0000 -209.54573 -195.21405 14.33168 3.18584 -196.57025 1158.49371
155.0000 -208.78165 -195.86844 12.91320 3.22571 -195.78150 1206.26407
160.0000 -209.59974 -195.22261 14.37712 3.17388 -196.80694 1152.47823
165.0000 -210.08853 -195.31175 14.77678 3.24526 -195.39455 1182.34187
170.0000 -209.86312 -198.84033 11.02278 3.20504 -196.19029 1158.99047
175.0000 -211.44497 -199.24865 12.19632 3.07934 -198.67720 1090.74426
180.0000 -210.75098 -198.86461 11.88637 3.10140 -198.24073 1105.15161
185.0000 -208.54633 -194.95750 13.58883 3.13072 -197.66073 1134.32231
190.0000 -207.33279 -193.41108 13.92171 3.32518 -193.81342 1263.75813
195.0000 -206.18161 -192.83433 13.34727 3.26898 -194.92541 1188.86378
200.0000 -208.20211 -193.39012 14.81200 3.38128 -192.70360 1268.56784
205.0000 -205.80004 -192.13691 13.66313 3.30178 -194.27653 1225.61215
210.0000 -208.07594 -192.67689 15.39905 3.41478 -192.04073 1306.93477
215.0000 -208.32529 -195.57864 12.74665 3.24764 -195.34761 1218.57094
220.0000 -207.69029 -194.55495 13.13534 3.26206 -195.06233 1235.18152
225.0000 -208.87220 -194.85383 14.01837 3.25794 -195.14384 1184.58474
230.0000 -209.66825 -197.62064 12.04762 3.22338 -195.82750 1164.33198
235.0000 -208.93413 -196.09739 12.83674 3.16649 -196.95303 1126.91657
240.0000 -208.98320 -194.44588 14.53731 3.27610 -194.78446 1197.55078
245.0000 -210.54222 -194.80715 15.73507 3.28126 -194.68237 1205.18784
250.0000 -208.72372 -194.30991 14.41381 3.30958 -194.12209 1225.27875
FREEZING PROCESS: loop number 2 T-loop= 1150.0000000000000
main_MD> interactions number 2 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68206 -0.79312 -1.11627
force_rgl> df(natom) -2.00436 2.11506 0.31458
255.0000 -208.88723 -196.81725 12.06998 3.21035 -196.08526 1138.57230
260.0000 -210.25548 -198.50158 11.75390 3.16503 -196.98184 1131.88050
265.0000 -212.50031 -199.57155 12.92876 3.07862 -198.69141 1075.26399
270.0000 -210.26672 -197.84042 12.42631 3.12391 -197.79549 1133.61131
275.0000 -209.52900 -195.48186 14.04714 3.14274 -197.42298 1111.95046
280.0000 -207.18546 -194.18162 13.00384 3.28108 -194.68590 1200.00692
285.0000 -212.12318 -198.91783 13.20535 3.15026 -197.27418 1144.20874
290.0000 -208.21704 -195.42123 12.79582 3.13654 -197.54553 1123.10679
295.0000 -207.36917 -196.13995 11.22922 3.20375 -196.21585 1120.92669
300.0000 -208.69983 -195.23963 13.46020 3.24426 -195.41452 1168.74053
305.0000 -207.90897 -194.82967 13.07930 3.32234 -193.86975 1201.68215
310.0000 -207.57133 -193.58038 13.99095 3.25681 -195.16623 1191.12489
315.0000 -207.94347 -191.92774 16.01574 3.36137 -193.09750 1251.16249
320.0000 -208.15813 -195.66226 12.49586 3.27880 -194.73100 1194.02092
325.0000 -210.83109 -197.10695 13.72414 3.18365 -196.61356 1158.50308
330.0000 -210.26802 -194.91094 15.35708 3.20510 -196.18916 1186.46694
335.0000 -211.51116 -195.57778 15.93337 3.26554 -194.99332 1232.14882
340.0000 -207.99180 -194.95902 13.03278 3.17105 -196.86289 1143.15311
345.0000 -209.69042 -197.39641 12.29401 3.21387 -196.01566 1152.17189
350.0000 -210.64516 -199.12961 11.51555 3.10903 -198.08978 1104.48035
355.0000 -207.61664 -196.05501 11.56164 3.15155 -197.24855 1119.78658
360.0000 -208.25042 -197.52278 10.72764 3.16938 -196.89583 1109.88854
365.0000 -210.89929 -198.29894 12.60035 3.18309 -196.62471 1172.26285
370.0000 -210.50674 -197.42261 13.08413 3.09274 -198.41218 1081.27070
375.0000 -210.30535 -198.34474 11.96062 3.11311 -198.00921 1103.70387
380.0000 -210.85279 -199.05224 11.80056 3.07015 -198.85901 1075.75006
385.0000 -208.98078 -196.61888 12.36190 3.13708 -197.53498 1099.13865
390.0000 -211.63009 -197.36203 14.26805 3.11738 -197.92464 1129.54879
395.0000 -209.36266 -196.75666 12.60601 3.12606 -197.75294 1105.93968
400.0000 -207.19147 -194.18244 13.00903 3.26828 -194.93922 1204.54220
405.0000 -209.50800 -195.73842 13.76958 3.26059 -195.09126 1195.50733
410.0000 -211.32613 -197.88058 13.44555 3.17200 -196.84400 1123.51726
415.0000 -209.64769 -195.59921 14.04847 3.18509 -196.58515 1156.74785
420.0000 -210.00025 -196.71715 13.28310 3.23864 -195.52558 1158.73362
425.0000 -210.84716 -196.75873 14.08843 3.19626 -196.36403 1160.27190
430.0000 -210.53109 -197.95205 12.57904 3.15914 -197.09856 1128.93445
435.0000 -208.69270 -197.24335 11.44935 3.12224 -197.82842 1098.12980
440.0000 -210.45000 -196.04369 14.40631 3.22354 -195.82444 1188.07258
445.0000 -210.52310 -195.97423 14.54888 3.23355 -195.62638 1183.85295
450.0000 -211.37869 -197.18738 14.19131 3.20750 -196.14176 1176.99232
455.0000 -208.56613 -194.56649 13.99964 3.22237 -195.84748 1182.08235
460.0000 -211.50169 -197.56005 13.94164 3.30656 -194.18192 1230.41462
465.0000 -208.90553 -196.55458 12.35095 3.19381 -196.41260 1135.39732
470.0000 -207.89927 -194.18243 13.71684 3.21571 -195.97933 1154.39842
475.0000 -208.07703 -193.98850 14.08853 3.36727 -192.98082 1219.63558
480.0000 -211.42566 -199.88158 11.54408 3.12116 -197.84986 1087.13353
485.0000 -210.09658 -198.02472 12.07185 3.01941 -199.86291 1022.27500
490.0000 -213.69788 -200.86536 12.83252 3.00695 -200.10948 1008.73103
495.0000 -209.98676 -198.48492 11.50184 3.06243 -199.01184 1081.88835
500.0000 -210.05608 -196.83953 13.21655 3.15404 -197.19930 1101.93954
FREEZING PROCESS: loop number 3 T-loop= 1125.0000000000000
main_MD> interactions number 3 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.91928 -0.13518 -1.16219
force_rgl> df(natom) -2.02626 -0.32545 0.89167
505.0000 -209.61797 -196.23860 13.37938 3.19507 -196.38770 1143.51115
510.0000 -210.55527 -196.99432 13.56095 3.19751 -196.33930 1161.11217
515.0000 -210.10848 -198.00179 12.10669 3.18018 -196.68220 1147.43315
520.0000 -210.12897 -197.02382 13.10514 3.15217 -197.23634 1118.32731
525.0000 -209.99126 -195.70510 14.28616 3.15725 -197.13590 1112.74935
530.0000 -210.49209 -197.38353 13.10856 3.16525 -196.97760 1106.29676
535.0000 -209.83627 -196.95480 12.88147 3.15967 -197.08792 1126.46410
540.0000 -212.63902 -200.15279 12.48623 3.12434 -197.78699 1131.32030
545.0000 -210.61187 -198.77848 11.83339 3.00309 -200.18591 1040.94487
550.0000 -211.28319 -198.45122 12.83197 3.05506 -199.15768 1094.40967
555.0000 -212.00766 -198.09358 13.91408 3.13746 -197.52749 1128.11311
560.0000 -210.54638 -199.06705 11.47933 3.11843 -197.90387 1120.97542
565.0000 -209.60768 -195.47072 14.13696 3.12248 -197.82371 1087.41480
570.0000 -209.82319 -198.55681 11.26638 3.16207 -197.04058 1128.88478
575.0000 -211.22083 -196.11012 15.11071 3.20920 -196.10805 1165.00618
580.0000 -210.08075 -197.23430 12.84645 3.20420 -196.20690 1181.21769
585.0000 -210.73120 -197.46937 13.26183 3.16478 -196.98698 1133.88445
590.0000 -209.63213 -197.24551 12.38662 3.14879 -197.30330 1127.48292
595.0000 -209.80454 -197.16512 12.63942 3.18569 -196.57322 1119.19498
600.0000 -208.08561 -196.25094 11.83467 3.20677 -196.15606 1168.76845
605.0000 -210.57218 -196.49147 14.08071 3.21383 -196.01650 1163.75382
610.0000 -210.83441 -197.31567 13.51874 3.20706 -196.15050 1141.97112
615.0000 -209.28004 -198.48202 10.79802 3.13140 -197.64732 1117.62463
620.0000 -209.80712 -198.08209 11.72503 3.12471 -197.77961 1103.27468
625.0000 -207.14095 -195.30114 11.83981 3.20199 -196.25080 1163.74900
630.0000 -209.97237 -197.40149 12.57087 3.19333 -196.42197 1166.66867
635.0000 -207.22515 -194.76500 12.46015 3.20328 -196.22512 1127.61879
640.0000 -211.16793 -197.38522 13.78272 3.17705 -196.74420 1148.05325
645.0000 -210.98647 -195.95825 15.02822 3.17366 -196.81128 1147.06933
650.0000 -210.93263 -197.54957 13.38305 3.21625 -195.96861 1173.38127
655.0000 -210.12679 -197.65304 12.47375 3.09368 -198.39348 1095.83063
660.0000 -210.38210 -198.27200 12.11010 3.08808 -198.50432 1092.91927
665.0000 -211.73653 -199.01845 12.71808 3.03455 -199.56340 1075.03929
670.0000 -210.53855 -200.54029 9.99826 3.01538 -199.94261 1057.81450
675.0000 -211.45400 -200.00651 11.44749 3.02581 -199.73636 1052.85911
680.0000 -209.96765 -196.88462 13.08303 3.09812 -198.30579 1093.85315
685.0000 -208.44808 -194.21388 14.23419 3.25270 -195.24754 1167.42844
690.0000 -206.24145 -193.59984 12.64161 3.33153 -193.68777 1240.11216
695.0000 -206.64174 -193.23317 13.40857 3.31827 -193.95015 1231.26586
700.0000 -209.55981 -196.27467 13.28514 3.29142 -194.48131 1226.19311
705.0000 -211.63414 -199.32806 12.30608 3.11292 -198.01281 1096.24864
710.0000 -212.97271 -198.08737 14.88534 3.15625 -197.15568 1128.80565
715.0000 -208.41253 -197.86631 10.54622 3.09570 -198.35357 1093.70173
720.0000 -209.36093 -195.18448 14.17645 3.15686 -197.14355 1123.95392
725.0000 -204.82946 -191.91178 12.91768 3.33829 -193.55419 1260.08730
730.0000 -206.73955 -193.30602 13.43353 3.29776 -194.35600 1186.97597
735.0000 -209.77012 -198.24299 11.52713 3.26092 -195.08479 1183.03430
740.0000 -212.09323 -199.36318 12.73006 3.06707 -198.92000 1076.83496
745.0000 -210.77357 -198.16378 12.60979 3.07945 -198.67504 1079.61495
750.0000 -210.53365 -200.21324 10.32041 3.07684 -198.72667 1084.00236
FREEZING PROCESS: loop number 4 T-loop= 1100.0000000000000
main_MD> interactions number 4 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.95995 0.17536 -3.21286
force_rgl> df(natom) -1.82945 0.34355 -2.34815
755.0000 -213.31359 -197.11634 16.19725 3.07930 -198.67800 1094.80693
760.0000 -212.38382 -199.70914 12.67468 3.07027 -198.85669 1092.24384
765.0000 -212.28826 -200.30963 11.97863 2.99873 -200.27212 1056.61786
770.0000 -212.23887 -200.09713 12.14174 3.02898 -199.67359 1053.98624
775.0000 -212.54391 -199.39752 13.14639 2.97670 -200.70792 1018.38413
780.0000 -211.94839 -197.44684 14.50156 3.08326 -198.59968 1087.30669
785.0000 -211.03403 -198.17530 12.85873 3.11599 -197.95209 1100.08273
790.0000 -209.80246 -198.90123 10.90124 3.10145 -198.23976 1079.54903
795.0000 -213.89775 -201.65781 12.23994 2.98170 -200.60907 1036.79767
800.0000 -211.92374 -200.50936 11.41438 2.90771 -202.07292 972.97597
805.0000 -210.85283 -197.86780 12.98504 3.08792 -198.50758 1058.14705
810.0000 -211.09914 -199.51142 11.58771 3.01387 -199.97247 1040.16001
815.0000 -212.79704 -200.79790 11.99914 3.01175 -200.01450 1048.87455
820.0000 -211.55758 -199.93308 11.62451 3.04517 -199.35321 1054.44276
825.0000 -211.94321 -201.04981 10.89341 2.98211 -200.60093 1046.12361
830.0000 -210.96368 -198.20227 12.76141 2.99088 -200.42744 1011.08981
835.0000 -210.28172 -197.66488 12.61684 3.16021 -197.07736 1116.02338
840.0000 -210.44945 -197.00089 13.44856 3.16737 -196.93561 1138.56948
845.0000 -211.14847 -198.02172 13.12676 3.16522 -196.97828 1146.95146
850.0000 -210.28534 -197.59616 12.68917 3.15269 -197.22610 1144.92846
855.0000 -209.99134 -196.82973 13.16161 3.13060 -197.66321 1112.16428
860.0000 -212.31635 -199.67309 12.64326 3.19255 -196.43745 1163.91353
865.0000 -211.13626 -200.89895 10.23731 3.03463 -199.56182 1063.10573
870.0000 -209.31993 -198.25778 11.06216 3.02429 -199.76632 1026.67344
875.0000 -210.43781 -197.61072 12.82709 3.14458 -197.38644 1118.63738
880.0000 -212.07798 -200.07238 12.00561 3.10613 -198.14723 1087.90961
885.0000 -211.28110 -199.02198 12.25912 3.04251 -199.40595 1053.10787
890.0000 -208.28040 -194.69976 13.58063 3.16831 -196.91704 1134.79417
895.0000 -212.54780 -199.15518 13.39262 3.18764 -196.53461 1135.82330
900.0000 -211.61966 -199.48558 12.13408 3.05509 -199.15708 1066.43026
905.0000 -210.46439 -198.54434 11.92004 3.13010 -197.67304 1099.52952
910.0000 -211.97736 -200.04742 11.92994 3.14276 -197.42247 1111.05196
915.0000 -211.24686 -199.74380 11.50307 3.01228 -200.00390 1034.86487
920.0000 -209.53990 -199.25180 10.28809 3.00001 -200.24681 1024.18047
925.0000 -209.96324 -197.16838 12.79485 3.09968 -198.27493 1065.50314
930.0000 -208.99016 -195.75078 13.23938 3.21671 -195.95957 1171.98178
935.0000 -210.07578 -196.85220 13.22358 3.13166 -197.64212 1106.82087
940.0000 -209.08237 -195.83712 13.24525 3.22730 -195.74991 1181.26523
945.0000 -209.86172 -196.67384 13.18788 3.23420 -195.61337 1164.73037
950.0000 -209.71144 -197.59135 12.12010 3.14414 -197.39533 1142.10524
955.0000 -209.28518 -197.62724 11.65794 3.13903 -197.49635 1120.39626
960.0000 -211.38291 -199.90097 11.48194 3.03534 -199.54770 1032.73629
965.0000 -209.34436 -196.84780 12.49656 3.08531 -198.55924 1091.17896
970.0000 -209.77430 -198.49487 11.27943 3.18182 -196.64984 1106.98137
975.0000 -210.40970 -198.27795 12.13176 3.06711 -198.91925 1060.96371
980.0000 -209.47611 -197.43988 12.03623 3.16917 -196.90007 1100.80236
985.0000 -210.37777 -196.82335 13.55442 3.19719 -196.34570 1170.08987
990.0000 -209.81951 -197.83893 11.98058 3.11922 -197.88823 1079.95375
995.0000 -211.93938 -197.82750 14.11188 3.09140 -198.43870 1073.22485
1000.0000 -211.21271 -197.50417 13.70854 3.10975 -198.07560 1117.09286
FREEZING PROCESS: loop number 5 T-loop= 1075.0000000000000
main_MD> interactions number 5 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51936 -3.17574 -2.10226
force_rgl> df(natom) 1.69154 -2.54224 2.23621
1005.0000 -210.92585 -198.41729 12.50855 3.08530 -198.55930 1119.39926
1010.0000 -211.63927 -199.78203 11.85724 3.04736 -199.30994 1093.58681
1015.0000 -213.52068 -200.71884 12.80184 2.97777 -200.68683 999.81187
1020.0000 -209.16199 -198.79183 10.37016 3.07157 -198.83101 1100.17928
1025.0000 -210.28296 -198.85800 11.42495 3.05246 -199.20905 1046.94133
1030.0000 -212.59654 -200.36417 12.23237 3.01667 -199.91710 1025.25814
1035.0000 -211.36797 -200.62182 10.74615 3.01056 -200.03804 1030.74456
1040.0000 -213.58747 -200.13179 13.45568 2.98899 -200.46471 1021.39220
1045.0000 -211.43298 -199.88962 11.54335 3.05194 -199.21941 1069.43308
1050.0000 -212.69376 -199.25460 13.43916 3.08486 -198.56797 1083.69734
1055.0000 -210.22911 -197.81788 12.41123 3.12988 -197.67740 1097.56128
1060.0000 -211.06659 -198.09614 12.97045 3.10315 -198.20610 1085.22670
1065.0000 -209.08720 -194.39254 14.69467 3.16375 -197.00730 1125.23877
1070.0000 -209.17724 -195.49405 13.68319 3.31458 -194.02310 1204.41226
1075.0000 -210.70649 -196.75045 13.95604 3.21698 -195.95419 1178.70954
1080.0000 -211.76660 -198.30518 13.46142 3.05847 -199.09007 1065.48826
1085.0000 -210.75306 -197.03333 13.71973 3.11965 -197.87981 1129.59354
1090.0000 -210.11030 -199.78277 10.32752 3.08311 -198.60258 1065.36102
1095.0000 -210.43889 -197.12268 13.31621 3.06931 -198.87577 1073.45690
1100.0000 -209.76333 -196.70037 13.06295 3.20072 -196.27579 1178.71886
1105.0000 -208.77768 -196.59908 12.17860 3.17046 -196.87444 1126.92490
1110.0000 -209.56677 -196.71518 12.85160 3.17832 -196.71904 1148.71309
1115.0000 -213.36293 -201.35192 12.01101 3.05064 -199.24500 1056.60251
1120.0000 -211.80690 -201.40901 10.39789 3.00604 -200.12736 1039.98462
1125.0000 -213.41199 -200.83323 12.57877 2.98418 -200.55998 1010.63528
1130.0000 -212.43379 -200.09131 12.34248 2.99155 -200.41410 1017.15595
1135.0000 -210.90554 -199.61557 11.28997 3.01222 -200.00518 1037.33315
1140.0000 -209.65089 -196.46089 13.19000 3.09623 -198.34312 1118.58416
1145.0000 -209.08277 -196.30353 12.77924 3.20693 -196.15300 1149.64086
1150.0000 -212.21034 -199.64636 12.56398 3.07819 -198.69997 1070.94996
1155.0000 -212.06125 -201.01280 11.04846 2.95288 -201.17913 970.34478
1160.0000 -210.43926 -198.43651 12.00276 3.00898 -200.06921 1048.83564
1165.0000 -212.38899 -199.06739 13.32159 3.03594 -199.53582 1059.50243
1170.0000 -213.58049 -200.17086 13.40963 3.04503 -199.35600 1070.29577
1175.0000 -210.86572 -198.59981 12.26591 3.03612 -199.53236 1038.62407
1180.0000 -210.21158 -196.03844 14.17313 3.15024 -197.27460 1130.08218
1185.0000 -211.79542 -201.39635 10.39907 3.08351 -198.59479 1090.53385
1190.0000 -214.23441 -201.92773 12.30668 2.91724 -201.88422 966.26340
1195.0000 -211.91257 -201.53952 10.37305 2.90816 -202.06396 972.82846
1200.0000 -209.55870 -199.31046 10.24825 3.01682 -199.91418 1028.91271
1205.0000 -212.10177 -198.99841 13.10336 3.06195 -199.02129 1075.18371
1210.0000 -213.06607 -200.47040 12.59567 3.06739 -198.91376 1079.36621
1215.0000 -209.64814 -197.86803 11.78012 3.08956 -198.47514 1080.87903
1220.0000 -209.84312 -196.70264 13.14048 3.18215 -196.64316 1166.64549
1225.0000 -209.07635 -195.81753 13.25882 3.21517 -195.98986 1166.15654
1230.0000 -209.01103 -196.17600 12.83503 3.26609 -194.98248 1189.95999
1235.0000 -212.07563 -200.82215 11.25349 3.09176 -198.43147 1078.23166
1240.0000 -212.37983 -200.17064 12.20919 2.92903 -201.65103 1005.55414
1245.0000 -210.06019 -198.17400 11.88619 3.03117 -199.63023 1052.26086
1250.0000 -209.59296 -196.53885 13.05411 3.13967 -197.48370 1109.73973
FREEZING PROCESS: loop number 6 T-loop= 1050.0000000000000
main_MD> interactions number 6 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.81886 -1.74883 -0.06280
force_rgl> df(natom) -2.26759 0.97281 -3.15528
1255.0000 -210.85403 -197.26568 13.58835 3.15702 -197.14036 1090.14239
1260.0000 -211.02274 -199.04374 11.97900 3.09892 -198.28992 1060.22856
1265.0000 -210.84144 -198.41628 12.42515 3.12880 -197.69865 1114.68498
1270.0000 -210.00077 -197.95388 12.04689 3.13788 -197.51908 1138.08194
1275.0000 -211.49574 -199.68881 11.80693 3.05928 -199.07407 1066.58140
1280.0000 -211.68429 -199.50779 12.17650 3.02910 -199.67115 1053.42909
1285.0000 -213.47159 -200.95621 12.51538 3.02951 -199.66306 1058.11669
1290.0000 -213.25121 -201.84652 11.40469 2.95716 -201.09443 1028.99362
1295.0000 -214.53374 -202.51605 12.01769 2.89877 -202.24966 946.59297
1300.0000 -213.85916 -202.58670 11.27246 2.85326 -203.15001 946.00749
1305.0000 -212.00234 -200.27583 11.72651 2.97110 -200.81878 1033.33011
1310.0000 -213.69604 -201.68872 12.00731 2.99483 -200.34927 1010.54318
1315.0000 -210.43818 -198.01835 12.41983 3.00628 -200.12266 1043.89187
1320.0000 -210.37692 -198.18926 12.18766 3.13338 -197.60813 1119.41425
1325.0000 -212.75129 -200.64940 12.10188 3.09101 -198.44639 1066.90829
1330.0000 -210.74115 -198.11313 12.62802 3.03864 -199.48254 1042.48358
1335.0000 -211.22346 -199.33515 11.88831 3.08348 -198.59533 1095.40134
1340.0000 -213.10474 -202.47105 10.63369 3.00828 -200.08309 1009.64549
1345.0000 -210.50499 -199.75204 10.75296 2.93331 -201.56645 979.69178
1350.0000 -210.71272 -199.21100 11.50172 3.07746 -198.71438 1049.76183
1355.0000 -209.80468 -197.18661 12.61807 3.11238 -198.02352 1098.01085
1360.0000 -212.74691 -200.00394 12.74297 3.09182 -198.43038 1114.16734
1365.0000 -213.10286 -201.08444 12.01843 3.00951 -200.05884 1051.40436
1370.0000 -213.19257 -200.95872 12.23385 2.93324 -201.56768 988.44468
1375.0000 -214.79245 -202.03868 12.75377 2.94819 -201.27192 1004.77005
1380.0000 -213.47108 -201.36030 12.11078 2.93587 -201.51567 987.57963
1385.0000 -213.43697 -200.65146 12.78550 2.94520 -201.33119 1014.93550
1390.0000 -212.16088 -199.71918 12.44170 3.04510 -199.35459 1036.31555
1395.0000 -212.77474 -200.04318 12.73155 3.05104 -199.23717 1070.30495
1400.0000 -214.43566 -204.59380 9.84186 2.92094 -201.81103 995.09845
1405.0000 -211.77851 -200.62252 11.15599 2.84672 -203.27946 932.70532
1410.0000 -212.60179 -199.63000 12.97179 3.05660 -199.12724 1073.25239
1415.0000 -212.21957 -200.35659 11.86298 3.00463 -200.15543 1035.05696
1420.0000 -212.37721 -200.60326 11.77394 3.02376 -199.77697 1076.79087
1425.0000 -213.59917 -202.62438 10.97479 2.96675 -200.90471 1027.10433
1430.0000 -213.07599 -201.13416 11.94183 2.94616 -201.31207 1020.03896
1435.0000 -212.88019 -200.26316 12.61703 3.00486 -200.15079 1022.04762
1440.0000 -213.57352 -201.17751 12.39600 2.89932 -202.23879 952.07887
1445.0000 -212.75930 -202.28977 10.46953 2.96459 -200.94751 1012.50342
1450.0000 -211.90007 -199.43380 12.46628 2.93376 -201.55738 968.43152
1455.0000 -209.50072 -197.39843 12.10230 3.02314 -199.78916 1042.64766
1460.0000 -210.79293 -198.98969 11.80324 3.07308 -198.80109 1058.36699
1465.0000 -207.21319 -195.38833 11.82486 3.20803 -196.13112 1121.48562
1470.0000 -212.02264 -197.98604 14.03660 3.19229 -196.44270 1148.92763
1475.0000 -209.68110 -197.34670 12.33440 3.15744 -197.13209 1130.78347
1480.0000 -208.38339 -198.81483 9.56855 3.13676 -197.54132 1117.92874
1485.0000 -211.21523 -200.08882 11.12640 2.99779 -200.29073 995.17189
1490.0000 -210.91874 -199.43849 11.48025 3.02431 -199.76593 1042.74876
1495.0000 -212.55650 -202.15482 10.40169 2.97796 -200.68301 1030.12076
1500.0000 -210.89139 -199.60726 11.28413 2.98024 -200.63786 1031.88268
FREEZING PROCESS: loop number 7 T-loop= 1025.0000000000000
main_MD> interactions number 7 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.72299 -6.03340 -3.85000
force_rgl> df(natom) 7.29664 -0.46434 -7.00223
1505.0000 -210.77583 -198.46985 12.30598 2.98310 -200.58132 996.99621
1510.0000 -211.01496 -200.93452 10.08043 3.00751 -200.09837 1011.95686
1515.0000 -214.08742 -200.61939 13.46803 3.01186 -200.01232 1061.50849
1520.0000 -212.08483 -199.36163 12.72320 3.02573 -199.73782 1057.15087
1525.0000 -212.49781 -201.50610 10.99171 3.02590 -199.73445 1058.95209
1530.0000 -210.67420 -200.04681 10.62739 2.97777 -200.68680 999.13354
1535.0000 -211.67735 -198.88277 12.79458 2.98835 -200.47752 1034.02109
1540.0000 -212.57670 -200.28429 12.29241 3.06558 -198.94947 1073.18611
1545.0000 -211.26693 -199.92603 11.34090 2.97836 -200.67518 1016.53857
1550.0000 -210.29411 -197.41041 12.88370 3.14034 -197.47042 1088.38121
1555.0000 -209.64734 -197.38711 12.26022 3.15587 -197.16314 1107.83487
1560.0000 -211.36182 -201.40973 9.95209 3.03805 -199.49417 1026.50561
1565.0000 -213.40909 -202.29943 11.10966 2.94416 -201.35171 992.24065
1570.0000 -212.54958 -201.37372 11.17587 2.88076 -202.60613 954.37530
1575.0000 -210.78101 -199.18307 11.59794 3.02662 -199.72036 1026.79958
1580.0000 -211.51485 -198.90902 12.60583 3.05833 -199.09301 1065.97646
1585.0000 -210.85288 -198.49365 12.35923 3.06936 -198.87479 1077.72329
1590.0000 -210.54376 -199.38375 11.16001 3.07819 -198.70004 1113.52513
1595.0000 -212.34087 -198.97445 13.36641 3.09666 -198.33455 1080.73261
1600.0000 -211.48788 -199.88149 11.60639 3.04784 -199.30044 1049.21844
1605.0000 -213.62214 -202.09281 11.52933 3.01031 -200.04291 1055.84617
1610.0000 -211.84275 -200.76260 11.08015 2.94790 -201.27777 1006.48266
1615.0000 -211.91719 -199.30953 12.60766 3.04951 -199.26737 1060.50829
1620.0000 -211.66796 -199.61754 12.05042 3.14699 -197.33886 1112.14105
1625.0000 -210.80203 -200.28646 10.51557 3.02306 -199.79064 1028.56891
1630.0000 -213.23125 -200.69971 12.53154 2.91982 -201.83336 962.51453
1635.0000 -211.56507 -200.44257 11.12250 3.00906 -200.06774 1052.36432
1640.0000 -213.20331 -200.60547 12.59784 2.99747 -200.29708 1027.29611
1645.0000 -211.71033 -198.63462 13.07571 3.06206 -199.01918 1084.92158
1650.0000 -212.84723 -201.28983 11.55740 3.00666 -200.11517 1049.42873
1655.0000 -212.55153 -201.57401 10.97752 2.97490 -200.74348 1012.01284
1660.0000 -211.99331 -200.44975 11.54357 2.97329 -200.77531 1019.21703
1665.0000 -213.66877 -202.12725 11.54152 2.99130 -200.41911 1017.55479
1670.0000 -211.64634 -200.99603 10.65031 2.90688 -202.08932 975.06483
1675.0000 -212.39186 -201.36384 11.02802 2.96847 -200.87071 1008.26746
1680.0000 -212.93533 -202.43392 10.50141 2.91512 -201.92621 976.82743
1685.0000 -213.65826 -201.87602 11.78224 2.86036 -203.00972 953.16109
1690.0000 -212.98242 -201.31347 11.66895 2.99320 -200.38140 1032.75325
1695.0000 -212.39974 -201.04178 11.35797 2.91175 -201.99282 983.26259
1700.0000 -211.67399 -199.56613 12.10786 2.98232 -200.59676 1031.53849
1705.0000 -212.09058 -199.86942 12.22117 2.97263 -200.78838 1003.34341
1710.0000 -210.60192 -199.19042 11.41150 3.05838 -199.09196 1055.75732
1715.0000 -211.42259 -200.87149 10.55110 3.00857 -200.07739 1029.86510
1720.0000 -212.01848 -201.23413 10.78436 2.95717 -201.09422 999.40698
1725.0000 -210.94886 -199.38065 11.56821 3.03963 -199.46299 1061.41211
1730.0000 -212.67179 -201.71942 10.95236 3.02702 -199.71241 1050.69340
1735.0000 -211.00899 -200.48247 10.52652 2.88350 -202.55183 919.22817
1740.0000 -212.19975 -200.20151 11.99824 3.01060 -200.03726 1040.91438
1745.0000 -213.39318 -202.53364 10.85954 2.95252 -201.18624 981.98270
1750.0000 -212.58957 -201.36986 11.21970 2.90253 -202.17529 935.64913
FREEZING PROCESS: loop number 8 T-loop= 1000.0000000000000
main_MD> interactions number 8 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.78912 2.46129 -1.65169
force_rgl> df(natom) 6.58931 1.07880 4.75331
1755.0000 -213.51184 -202.80225 10.70959 2.89157 -202.39212 959.71275
1760.0000 -213.01336 -201.95269 11.06067 2.90678 -202.09119 984.45306
1765.0000 -212.61361 -202.24495 10.36866 2.90053 -202.21485 962.48468
1770.0000 -210.22466 -199.62890 10.59576 3.00988 -200.05152 1036.37490
1775.0000 -214.05199 -200.78567 13.26632 3.01207 -200.00816 1036.65315
1780.0000 -210.78677 -198.07675 12.71002 3.05403 -199.17793 1046.44879
1785.0000 -210.78173 -199.63005 11.15169 3.06778 -198.90603 1065.10025
1790.0000 -211.83404 -201.15483 10.67920 2.92297 -201.77087 990.88837
1795.0000 -213.41150 -201.47987 11.93163 2.90782 -202.07068 974.26449
1800.0000 -210.98203 -199.20187 11.78016 2.89772 -202.27057 968.56588
1805.0000 -214.77306 -202.69981 12.07325 2.91127 -202.00243 991.57475
1810.0000 -216.01463 -204.92541 11.08922 2.81103 -203.98558 941.86946
1815.0000 -215.18169 -204.75746 10.42424 2.76533 -204.88981 878.16930
1820.0000 -213.53970 -203.25584 10.28387 2.78358 -204.52868 893.41094
1825.0000 -213.70207 -204.36437 9.33770 2.84392 -203.33496 932.81521
1830.0000 -214.64055 -204.61553 10.02502 2.78215 -204.55696 900.33732
1835.0000 -213.51937 -201.61757 11.90180 2.81599 -203.88747 914.47567
1840.0000 -212.15307 -200.78326 11.36981 2.93719 -201.48958 993.11412
1845.0000 -209.96796 -199.64317 10.32479 2.97824 -200.67737 1015.43889
1850.0000 -212.44285 -201.56906 10.87379 2.94413 -201.35237 1010.54209
1855.0000 -214.28043 -202.47048 11.80995 2.93726 -201.48821 992.14327
1860.0000 -212.49192 -201.54006 10.95187 2.91432 -201.94200 979.16540
1865.0000 -211.60373 -200.31036 11.29338 2.93852 -201.46320 968.82664
1870.0000 -211.62179 -202.02573 9.59606 2.94539 -201.32738 980.03743
1875.0000 -211.87234 -198.42395 13.44839 3.02888 -199.67562 1046.82313
1880.0000 -210.52626 -200.29769 10.22858 3.08338 -198.59727 1071.60805
1885.0000 -212.06270 -200.41064 11.65206 2.95909 -201.05627 1019.17613
1890.0000 -212.62433 -200.23238 12.39195 2.97065 -200.82753 1016.62804
1895.0000 -210.26880 -197.36438 12.90442 3.00487 -200.15063 1063.16058
1900.0000 -212.01457 -199.23372 12.78085 3.02016 -199.84815 1054.01634
1905.0000 -212.01879 -200.41118 11.60761 3.03443 -199.56583 1016.50993
1910.0000 -213.72071 -201.99288 11.72784 2.94091 -201.41597 1013.83426
1915.0000 -213.06658 -202.41279 10.65379 2.91197 -201.98866 978.84176
1920.0000 -214.09734 -201.03640 13.06094 2.90719 -202.08307 978.89067
1925.0000 -211.96436 -199.59901 12.36536 3.00788 -200.09097 1059.80394
1930.0000 -211.75663 -200.42014 11.33648 3.02862 -199.68064 1068.69078
1935.0000 -212.44551 -201.72298 10.72253 2.97684 -200.70508 1024.97412
1940.0000 -214.29396 -203.14254 11.15142 2.88322 -202.55741 967.69848
1945.0000 -213.21217 -201.99800 11.21416 2.89105 -202.40252 996.55289
1950.0000 -210.89606 -198.59011 12.30596 2.98216 -200.59999 1031.52321
1955.0000 -213.42534 -201.68666 11.73868 3.03251 -199.60370 1057.45726
1960.0000 -210.96541 -199.43455 11.53087 2.99973 -200.25228 1033.98521
1965.0000 -212.02588 -199.16214 12.86374 3.06065 -199.04713 1071.33376
1970.0000 -211.10754 -199.97475 11.13279 3.06051 -199.04972 1062.66756
1975.0000 -214.20441 -202.56545 11.63896 2.95866 -201.06490 998.62986
1980.0000 -210.81821 -199.50859 11.30962 2.89278 -202.36819 952.62663
1985.0000 -210.28374 -198.22089 12.06285 3.10098 -198.24915 1103.10459
1990.0000 -211.46119 -199.51271 11.94849 3.03544 -199.54582 1051.41952
1995.0000 -211.62794 -200.75819 10.86975 2.98803 -200.48385 1006.23270
2000.0000 -211.86302 -200.15901 11.70401 3.02280 -199.79591 1031.39199
FREEZING PROCESS: loop number 9 T-loop= 975.00000000000000
main_MD> interactions number 9 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.96963 -2.13085 4.64707
force_rgl> df(natom) 1.65883 0.61793 -2.54642
2005.0000 -214.23191 -202.31711 11.91480 2.96139 -201.01083 987.41155
2010.0000 -212.34700 -199.34681 13.00019 3.00496 -200.14877 1034.31609
2015.0000 -214.15485 -202.33503 11.81982 2.90972 -202.03312 985.34189
2020.0000 -212.24386 -201.59236 10.65150 2.96555 -200.92850 1010.45906
2025.0000 -211.33203 -201.12088 10.21115 2.94053 -201.42358 996.20010
2030.0000 -212.90222 -202.55227 10.34995 2.91879 -201.85368 958.90920
2035.0000 -211.05059 -199.10416 11.94643 3.00441 -200.15969 1045.27265
2040.0000 -211.35125 -198.80389 12.54736 3.06501 -198.96084 1086.52234
2045.0000 -211.76267 -198.94978 12.81288 3.06589 -198.94328 1066.60490
2050.0000 -212.80660 -202.06416 10.74244 2.97429 -200.75570 1015.82141
2055.0000 -212.56870 -201.52282 11.04587 2.92331 -201.76417 985.85515
2060.0000 -212.72296 -202.01924 10.70371 2.93380 -201.55669 981.33385
2065.0000 -213.48887 -203.37230 10.11657 2.84448 -203.32373 909.83602
2070.0000 -211.20358 -199.51643 11.68715 2.92235 -201.78328 1000.37496
2075.0000 -212.22296 -200.96494 11.25802 3.00932 -200.06263 1031.15672
2080.0000 -210.85950 -200.20048 10.65902 2.96555 -200.92852 999.56426
2085.0000 -215.39001 -204.04065 11.34936 2.89174 -202.38887 963.02334
2090.0000 -215.44907 -206.50684 8.94222 2.71564 -205.87291 872.24948
2095.0000 -213.85403 -205.33928 8.51475 2.78913 -204.41891 901.84690
2100.0000 -214.58928 -204.71283 9.87644 2.79814 -204.24070 923.09256
2105.0000 -213.53870 -203.07200 10.46669 2.82620 -203.68542 910.55756
2110.0000 -213.07729 -202.86634 10.21095 2.88558 -202.51063 951.65583
2115.0000 -212.49764 -201.37590 11.12173 2.93917 -201.45050 1007.92049
2120.0000 -214.43245 -202.86191 11.57054 2.90481 -202.13015 989.90452
2125.0000 -213.36026 -204.63152 8.72873 2.83566 -203.49835 960.53819
2130.0000 -214.91458 -204.64933 10.26525 2.77624 -204.67393 918.78365
2135.0000 -214.07864 -202.76389 11.31475 2.83422 -203.52685 931.87183
2140.0000 -213.97953 -201.57606 12.40347 2.90546 -202.11739 980.85372
2145.0000 -212.38222 -200.64182 11.74041 2.94735 -201.28862 1017.46810
2150.0000 -212.54943 -202.36119 10.18824 2.92866 -201.65828 988.19364
2155.0000 -214.99573 -203.48955 11.50618 2.90634 -202.09989 970.84179
2160.0000 -213.01106 -200.50394 12.50712 2.89651 -202.29449 982.10955
2165.0000 -211.66370 -198.89098 12.77272 3.02710 -199.71077 1051.74128
2170.0000 -210.21135 -200.35679 9.85456 3.01558 -199.93863 1057.87534
2175.0000 -210.83034 -200.07253 10.75781 2.98968 -200.45112 1023.59038
2180.0000 -211.35517 -201.29062 10.06455 2.97013 -200.83791 1006.74534
2185.0000 -212.16400 -200.69805 11.46595 2.94276 -201.37945 988.83074
2190.0000 -212.90759 -201.22147 11.68612 2.91747 -201.87975 979.27360
2195.0000 -214.26776 -201.89226 12.37550 2.91437 -201.94103 993.98516
2200.0000 -214.50710 -204.24077 10.26634 2.88629 -202.49661 975.37561
2205.0000 -214.55983 -205.31399 9.24585 2.79002 -204.40118 916.23953
2210.0000 -211.35679 -200.74341 10.61338 2.83606 -203.49032 934.41330
2215.0000 -210.50341 -198.99472 11.50869 3.02793 -199.69447 1051.01500
2220.0000 -212.46948 -200.76029 11.70919 2.99068 -200.43140 1016.11960
2225.0000 -212.94177 -199.98347 12.95830 3.00531 -200.14197 1016.19291
2230.0000 -211.03214 -199.46999 11.56215 3.04149 -199.42618 1060.25818
2235.0000 -211.13064 -200.79610 10.33454 3.03627 -199.52932 1025.42440
2240.0000 -214.57708 -202.75777 11.81930 2.93144 -201.60327 986.84930
2245.0000 -213.90372 -200.74074 13.16298 2.93783 -201.47691 1014.68699
2250.0000 -213.41163 -201.14116 12.27047 2.98754 -200.49341 1042.20490
FREEZING PROCESS: loop number 10 T-loop= 950.00000000000000
main_MD> interactions number 10 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13802 -1.82286 0.19600
force_rgl> df(natom) 2.95573 1.25363 -7.45590
2255.0000 -212.68836 -200.56835 12.12001 2.94680 -201.29955 1006.56991
2260.0000 -212.29752 -201.20756 11.08996 2.96238 -200.99127 993.62369
2265.0000 -212.11066 -201.66089 10.44977 2.93267 -201.57904 953.62197
2270.0000 -212.64844 -202.40689 10.24155 2.88349 -202.55200 956.66501
2275.0000 -214.47640 -204.95226 9.52413 2.88972 -202.42870 975.05859
2280.0000 -213.93653 -204.38579 9.55073 2.79186 -204.36477 862.31943
2285.0000 -213.69261 -204.20850 9.48411 2.73257 -205.53788 834.58099
2290.0000 -214.76430 -204.61128 10.15302 2.79885 -204.22652 937.32219
2295.0000 -215.12571 -204.16249 10.96322 2.76148 -204.96594 873.26508
2300.0000 -215.10015 -204.83379 10.26636 2.79514 -204.30007 912.21688
2305.0000 -215.00923 -204.81136 10.19787 2.76625 -204.87146 890.68496
2310.0000 -214.20352 -201.90745 12.29607 2.79447 -204.31315 915.86957
2315.0000 -212.54429 -202.19535 10.34894 2.88213 -202.57902 916.26899
2320.0000 -213.80903 -203.06163 10.74740 2.92605 -201.71009 969.94379
2325.0000 -213.01921 -204.03999 8.97922 2.84021 -203.40822 926.46108
2330.0000 -214.84703 -205.20927 9.63776 2.82629 -203.68367 920.97073
2335.0000 -212.98173 -202.47804 10.50370 2.87691 -202.68223 955.82769
2340.0000 -213.12926 -203.06926 10.06000 2.88300 -202.56164 952.72435
2345.0000 -213.42389 -202.79651 10.62738 2.84557 -203.30227 938.31797
2350.0000 -212.78997 -201.52337 11.26660 2.94437 -201.34748 989.50715
2355.0000 -212.74884 -201.88797 10.86088 2.88389 -202.54409 934.75823
2360.0000 -213.56792 -203.63224 9.93567 2.81228 -203.96097 917.56232
2365.0000 -213.89571 -201.60129 12.29442 2.91273 -201.97347 959.26040
2370.0000 -211.22046 -201.12303 10.09742 2.88596 -202.50325 938.05256
2375.0000 -210.88244 -201.32907 9.55337 2.92352 -201.76015 966.82422
2380.0000 -214.30763 -202.66575 11.64188 2.85627 -203.09054 921.87618
2385.0000 -213.78520 -203.41868 10.36653 2.91201 -201.98768 973.09817
2390.0000 -212.89023 -201.27213 11.61810 2.91370 -201.95427 991.40521
2395.0000 -213.13298 -202.15655 10.97642 2.91346 -201.95902 993.76817
2400.0000 -212.76137 -202.54090 10.22047 2.90985 -202.03046 973.61111
2405.0000 -213.29269 -201.02040 12.27229 2.92714 -201.68839 993.98365
2410.0000 -214.78507 -202.23520 12.54987 2.92346 -201.76128 975.04299
2415.0000 -214.14510 -203.03802 11.10708 2.86506 -202.91671 946.67186
2420.0000 -214.98075 -204.52091 10.45984 2.80444 -204.11594 927.03064
2425.0000 -213.32533 -202.41286 10.91247 2.88038 -202.61346 969.15168
2430.0000 -213.25043 -203.83960 9.41083 2.84601 -203.29364 942.93110
2435.0000 -215.01584 -203.56468 11.45116 2.83740 -203.46393 933.30779
2440.0000 -214.17751 -203.62432 10.55319 2.82956 -203.61899 913.47118
2445.0000 -213.90012 -203.96498 9.93515 2.80273 -204.14976 892.09729
2450.0000 -213.74725 -202.38662 11.36063 2.88289 -202.56391 949.35844
2455.0000 -213.88201 -204.01923 9.86278 2.86209 -202.97534 926.40468
2460.0000 -214.43016 -204.27075 10.15941 2.77903 -204.61866 874.43345
2465.0000 -213.81206 -201.99199 11.82007 2.85623 -203.09142 950.69817
2470.0000 -213.43180 -202.93165 10.50015 2.89323 -202.35936 956.38747
2475.0000 -214.18941 -202.48187 11.70754 2.80943 -204.01723 920.28057
2480.0000 -214.33904 -202.30440 12.03463 2.93726 -201.48824 1004.73520
2485.0000 -214.19152 -202.53281 11.65871 2.87742 -202.67216 957.85074
2490.0000 -215.51172 -203.83412 11.67761 2.84339 -203.34540 924.39722
2495.0000 -214.80077 -202.26776 12.53301 2.86362 -202.94515 941.13359
2500.0000 -211.98811 -201.21688 10.77123 2.90554 -202.11569 970.66240
FREEZING PROCESS: loop number 11 T-loop= 925.00000000000000
main_MD> interactions number 11 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90011 -0.44692 2.94736
force_rgl> df(natom) -3.28760 -4.71028 0.18535
2505.0000 -213.05127 -202.82384 10.22743 2.89431 -202.33802 969.81913
2510.0000 -214.59749 -202.58951 12.00798 2.87883 -202.64416 959.92043
2515.0000 -214.49100 -205.31652 9.17448 2.79441 -204.31441 908.59987
2520.0000 -216.37265 -206.62250 9.75014 2.71648 -205.85627 835.94161
2525.0000 -214.95571 -206.51833 8.43739 2.70840 -206.01603 857.38257
2530.0000 -216.48375 -207.75698 8.72677 2.63368 -207.49436 801.40066
2535.0000 -214.01508 -203.94731 10.06777 2.67933 -206.59118 843.61453
2540.0000 -213.98207 -202.68297 11.29910 2.80363 -204.13191 907.22474
2545.0000 -213.87662 -201.84915 12.02747 2.86872 -202.84417 970.94476
2550.0000 -212.84387 -202.21514 10.62873 2.91458 -201.93686 992.23448
2555.0000 -215.92540 -204.42245 11.50295 2.90429 -202.14051 969.50413
2560.0000 -213.59617 -203.05574 10.54043 2.84197 -203.37356 939.27872
2565.0000 -213.88786 -202.79748 11.09038 2.86714 -202.87546 948.34236
2570.0000 -213.02180 -202.91021 10.11159 2.90803 -202.06651 966.67557
2575.0000 -213.54293 -203.94700 9.59593 2.82139 -203.78067 927.35570
2580.0000 -212.49514 -201.80196 10.69318 2.91673 -201.89435 975.62714
2585.0000 -214.03126 -202.55222 11.47904 2.84692 -203.27561 949.53580
2590.0000 -214.86425 -202.03057 12.83368 2.90251 -202.17581 964.87959
2595.0000 -214.02250 -203.99692 10.02558 2.79470 -204.30868 890.15928
2600.0000 -212.24552 -201.46156 10.78395 2.91235 -201.98102 962.98488
2605.0000 -213.46424 -204.26314 9.20110 2.84542 -203.30519 937.20832
2610.0000 -215.12597 -204.48682 10.63915 2.79076 -204.38657 899.27025
2615.0000 -214.99714 -204.40337 10.59376 2.76896 -204.81793 889.65210
2620.0000 -213.28444 -202.97285 10.31159 2.84660 -203.28191 959.33228
2625.0000 -215.32495 -204.09203 11.23292 2.83544 -203.50266 942.61889
2630.0000 -212.14712 -202.52366 9.62347 2.89930 -202.23917 961.16522
2635.0000 -213.06483 -202.85809 10.20675 2.84791 -203.25589 955.91239
2640.0000 -210.86135 -201.73722 9.12413 2.96798 -200.88048 1001.41315
2645.0000 -214.90535 -205.96098 8.94437 2.81956 -203.81680 895.69713
2650.0000 -212.89882 -202.58860 10.31023 2.79827 -204.23800 915.65928
2655.0000 -214.87806 -202.01091 12.86715 2.86590 -202.89995 920.99390
2660.0000 -213.55825 -202.17011 11.38814 2.88489 -202.52437 921.41822
2665.0000 -215.05395 -204.24724 10.80671 2.88163 -202.58887 974.23233
2670.0000 -213.40936 -203.27434 10.13502 2.84406 -203.33204 950.40424
2675.0000 -214.59322 -204.13738 10.45584 2.80815 -204.04261 901.32306
2680.0000 -214.52328 -202.87697 11.64631 2.83280 -203.55493 926.04297
2685.0000 -214.98455 -205.68178 9.30277 2.78971 -204.40737 894.30503
2690.0000 -214.82399 -205.29620 9.52779 2.73303 -205.52869 870.63480
2695.0000 -213.77759 -203.21642 10.56117 2.76149 -204.96581 894.99491
2700.0000 -213.52413 -203.67084 9.85329 2.86469 -202.92394 938.59440
2705.0000 -214.43655 -204.26384 10.17271 2.82844 -203.64118 943.41964
2710.0000 -214.32725 -203.82166 10.50560 2.83617 -203.48831 925.08665
2715.0000 -212.61213 -202.67213 9.94000 2.84065 -203.39957 947.70034
2720.0000 -212.60584 -201.92283 10.68301 2.84757 -203.26275 932.34108
2725.0000 -213.48992 -202.11954 11.37038 2.86547 -202.90847 957.33889
2730.0000 -213.89053 -202.76778 11.12275 2.91165 -201.99484 990.42558
2735.0000 -213.80848 -201.29817 12.51031 2.89694 -202.28602 967.07982
2740.0000 -211.93606 -202.46804 9.46802 2.94536 -201.32804 968.64911
2745.0000 -212.94797 -202.44250 10.50547 2.87423 -202.73531 947.40773
2750.0000 -213.33727 -202.81814 10.51913 2.85776 -203.06105 963.28284
FREEZING PROCESS: loop number 12 T-loop= 900.00000000000000
main_MD> interactions number 12 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17639 0.87312 2.58402
force_rgl> df(natom) -0.82785 0.75316 -0.83133
2755.0000 -215.50067 -205.46507 10.03560 2.83584 -203.49469 928.96517
2760.0000 -215.15085 -206.34087 8.80998 2.73279 -205.53353 857.00714
2765.0000 -214.56329 -204.30574 10.25755 2.71708 -205.84434 857.23434
2770.0000 -213.61931 -204.34348 9.27584 2.81729 -203.86168 940.99620
2775.0000 -215.39296 -206.76986 8.62310 2.77570 -204.68467 895.57557
2780.0000 -214.28047 -202.95822 11.32224 2.79655 -204.27210 927.29949
2785.0000 -212.79795 -202.02557 10.77238 2.95177 -201.20105 1003.94562
2790.0000 -213.70690 -203.79480 9.91210 2.91298 -201.96856 969.97698
2795.0000 -213.02641 -202.84847 10.17795 2.83689 -203.47403 937.73767
2800.0000 -214.50341 -203.87857 10.62484 2.80518 -204.10132 923.30362
2805.0000 -215.30406 -204.63978 10.66428 2.82760 -203.65769 940.88043
2810.0000 -215.99790 -204.31933 11.67857 2.75778 -205.03910 876.48124
2815.0000 -214.26750 -203.36518 10.90232 2.79476 -204.30751 886.23609
2820.0000 -214.57786 -203.78697 10.79089 2.83930 -203.42635 912.78154
2825.0000 -214.97873 -204.94234 10.03639 2.80712 -204.06292 944.83011
2830.0000 -216.23970 -205.31265 10.92705 2.71371 -205.91100 866.87646
2835.0000 -215.93541 -206.78988 9.14553 2.72082 -205.77026 843.05244
2840.0000 -215.91019 -205.35145 10.55874 2.71317 -205.92173 849.15037
2845.0000 -212.99877 -203.21445 9.78432 2.86346 -202.94833 952.32262
2850.0000 -214.03492 -203.69398 10.34094 2.85286 -203.15802 944.77579
2855.0000 -213.83786 -202.22293 11.61494 2.83443 -203.52255 926.14396
2860.0000 -215.35516 -205.78366 9.57150 2.79397 -204.32321 890.81062
2865.0000 -213.50803 -203.55200 9.95603 2.76195 -204.95668 894.52116
2870.0000 -213.94412 -204.23483 9.70928 2.78488 -204.50301 882.05766
2875.0000 -214.98880 -204.01494 10.97386 2.82336 -203.74169 913.88181
2880.0000 -214.35362 -203.32064 11.03299 2.78380 -204.52423 881.48991
2885.0000 -215.48860 -205.12768 10.36092 2.79498 -204.30321 919.14873
2890.0000 -213.99930 -204.30777 9.69154 2.76351 -204.92582 899.71619
2895.0000 -215.38792 -204.60985 10.77807 2.80221 -204.16004 888.20945
2900.0000 -213.39140 -202.33202 11.05938 2.87116 -202.79595 943.76405
2905.0000 -212.85144 -202.20940 10.64205 2.85877 -203.04107 936.50319
2910.0000 -214.20022 -202.72017 11.48005 2.89511 -202.32205 963.38061
2915.0000 -213.40833 -204.26995 9.13838 2.86191 -202.97903 938.24211
2920.0000 -215.58404 -207.17025 8.41379 2.71781 -205.82989 852.13420
2925.0000 -214.57280 -204.13054 10.44226 2.71563 -205.87296 840.53078
2930.0000 -215.68596 -204.91056 10.77540 2.76782 -204.84047 851.67563
2935.0000 -216.48384 -205.68132 10.80252 2.75335 -205.12679 897.10413
2940.0000 -216.32319 -206.55065 9.77254 2.72364 -205.71456 858.75981
2945.0000 -214.66087 -204.66764 9.99323 2.72723 -205.64361 853.25633
2950.0000 -215.07517 -204.69476 10.38041 2.81005 -204.00507 888.57305
2955.0000 -215.42150 -205.14648 10.27502 2.80283 -204.14788 901.43363
2960.0000 -213.53627 -203.11750 10.41877 2.81860 -203.83584 903.50774
2965.0000 -214.30029 -203.45344 10.84685 2.84661 -203.28172 925.17484
2970.0000 -214.35355 -203.36458 10.98897 2.84070 -203.39852 923.77745
2975.0000 -214.52829 -203.80109 10.72719 2.83558 -203.49993 914.69017
2980.0000 -215.06616 -205.38059 9.68557 2.74179 -205.35541 848.24704
2985.0000 -213.76090 -202.75807 11.00283 2.83226 -203.56560 924.68827
2990.0000 -214.33837 -204.98873 9.34964 2.84249 -203.36316 929.87773
2995.0000 -214.89271 -204.79895 10.09376 2.78628 -204.47522 908.82947
3000.0000 -215.46673 -205.16080 10.30594 2.71645 -205.85683 859.34426
FREEZING PROCESS: loop number 13 T-loop= 875.00000000000000
main_MD> interactions number 13 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.71230 -0.90076 0.08800
force_rgl> df(natom) -3.72307 0.95941 -1.44897
3005.0000 -214.12765 -203.83498 10.29267 2.77094 -204.77879 890.17053
3010.0000 -215.25611 -204.97404 10.28207 2.76866 -204.82379 897.82894
3015.0000 -213.17168 -204.09164 9.08005 2.81994 -203.80925 925.48381
3020.0000 -214.41373 -203.15325 11.26048 2.77236 -204.75075 874.49994
3025.0000 -216.18365 -204.23623 11.94742 2.82391 -203.73074 922.34967
3030.0000 -214.79936 -206.50567 8.29369 2.77930 -204.61341 892.69592
3035.0000 -214.70385 -203.93715 10.76670 2.75259 -205.14185 857.88506
3040.0000 -214.26962 -204.38983 9.87979 2.82626 -203.68433 904.18284
3045.0000 -213.39794 -203.62910 9.76884 2.79112 -204.37959 874.05482
3050.0000 -214.54935 -205.08406 9.46529 2.78758 -204.44962 889.92088
3055.0000 -214.76045 -204.79762 9.96283 2.76601 -204.87637 882.87573
3060.0000 -214.32931 -204.18747 10.14184 2.77448 -204.70875 879.08927
3065.0000 -213.70225 -203.89802 9.80423 2.77349 -204.72834 876.80269
3070.0000 -216.14214 -206.01542 10.12672 2.76188 -204.95798 913.44297
3075.0000 -216.35959 -205.65317 10.70642 2.73603 -205.46938 883.38891
3080.0000 -214.84053 -206.11282 8.72771 2.71775 -205.83105 839.20276
3085.0000 -216.17549 -205.84703 10.32846 2.69882 -206.20558 830.78324
3090.0000 -214.88260 -205.09082 9.79178 2.71070 -205.97048 847.62637
3095.0000 -216.10852 -206.56712 9.54141 2.70722 -206.03947 846.00159
3100.0000 -215.41183 -206.69027 8.72156 2.68053 -206.56746 833.88853
3105.0000 -212.27395 -203.81327 8.46068 2.73936 -205.40348 863.44109
3110.0000 -215.19852 -204.60930 10.58922 2.83349 -203.54115 929.05031
3115.0000 -214.67770 -205.68228 8.99541 2.73199 -205.54927 867.67584
3120.0000 -214.85295 -206.28052 8.57243 2.70611 -206.06143 847.15932
3125.0000 -215.28135 -205.40951 9.87184 2.69249 -206.33078 845.22952
3130.0000 -216.94672 -207.68691 9.25981 2.67223 -206.73173 840.03765
3135.0000 -215.80351 -207.23925 8.56426 2.64196 -207.33054 780.92775
3140.0000 -216.37751 -206.50103 9.87649 2.63492 -207.46984 798.27748
3145.0000 -215.79510 -205.85663 9.93847 2.72606 -205.66660 857.41672
3150.0000 -213.97108 -204.90893 9.06215 2.73638 -205.46252 870.25582
3155.0000 -214.88412 -203.69785 11.18627 2.79786 -204.24609 912.86431
3160.0000 -214.46068 -203.55823 10.90245 2.84353 -203.34254 948.72612
3165.0000 -216.19372 -205.39732 10.79640 2.77423 -204.71363 902.96962
3170.0000 -213.50861 -206.34659 7.16202 2.71418 -205.90163 850.43659
3175.0000 -215.53428 -206.52230 9.01198 2.70301 -206.12278 846.67614
3180.0000 -215.61510 -204.80559 10.80951 2.67969 -206.58398 825.46272
3185.0000 -215.59696 -206.60030 8.99666 2.69714 -206.23876 848.50761
3190.0000 -217.70582 -207.80323 9.90259 2.65906 -206.99213 808.28932
3195.0000 -214.93200 -206.31562 8.61637 2.65330 -207.10627 802.51124
3200.0000 -215.67950 -205.05997 10.61953 2.74701 -205.25215 852.93019
3205.0000 -215.51083 -205.31157 10.19926 2.76639 -204.86872 882.44029
3210.0000 -215.55924 -207.06216 8.49708 2.72528 -205.68203 881.06557
3215.0000 -215.94013 -206.33790 9.60223 2.65446 -207.08333 820.98532
3220.0000 -215.22109 -205.62573 9.59536 2.76440 -204.90809 874.76475
3225.0000 -215.51882 -206.81639 8.70243 2.71155 -205.95374 849.82057
3230.0000 -214.74090 -204.49500 10.24590 2.73807 -205.42910 860.58304
3235.0000 -213.99659 -202.92440 11.07219 2.80461 -204.11262 915.29582
3240.0000 -214.28849 -206.16946 8.11903 2.84565 -203.30073 932.89859
3245.0000 -215.12608 -204.41337 10.71271 2.74189 -205.35357 867.79123
3250.0000 -214.32685 -203.95795 10.36890 2.76616 -204.87328 878.98808
FREEZING PROCESS: loop number 14 T-loop= 850.00000000000000
main_MD> interactions number 14 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24124 5.23446 -0.54755
force_rgl> df(natom) -1.22579 -4.26448 -0.17053
3255.0000 -215.39422 -204.43178 10.96243 2.84186 -203.37556 951.77116
3260.0000 -214.72796 -206.13171 8.59625 2.72301 -205.72705 867.16699
3265.0000 -218.25622 -206.66806 11.58816 2.71129 -205.95889 830.51699
3270.0000 -215.96205 -206.25968 9.70237 2.69834 -206.21511 838.34428
3275.0000 -216.70972 -207.22926 9.48046 2.65449 -207.08267 840.11154
3280.0000 -215.11768 -204.93897 10.17871 2.66381 -206.89830 838.87867
3285.0000 -216.12538 -204.93707 11.18831 2.77946 -204.61015 876.32102
3290.0000 -212.49530 -202.90989 9.58541 2.81386 -203.92970 935.37396
3295.0000 -215.21283 -205.10444 10.10839 2.79895 -204.22454 887.84263
3300.0000 -214.35777 -204.87836 9.47941 2.74630 -205.26617 876.86197
3305.0000 -215.89468 -204.67351 11.22117 2.75375 -205.11880 879.20225
3310.0000 -216.51343 -206.26736 10.24608 2.77277 -204.74249 890.39859
3315.0000 -216.96863 -207.69388 9.27476 2.64811 -207.20878 803.83377
3320.0000 -217.15211 -207.34831 9.80379 2.63871 -207.39493 824.45764
3325.0000 -217.53890 -207.78056 9.75834 2.61912 -207.78249 802.63163
3330.0000 -215.59609 -205.34872 10.24737 2.69620 -206.25753 862.05996
3335.0000 -217.41140 -207.25861 10.15279 2.69330 -206.31480 831.39223
3340.0000 -216.97965 -206.24094 10.73871 2.65319 -207.10843 831.13760
3345.0000 -214.91229 -205.47141 9.44088 2.74174 -205.35654 873.74103
3350.0000 -215.92015 -206.82491 9.09524 2.71322 -205.92077 863.13947
3355.0000 -216.69883 -206.28887 10.40996 2.67977 -206.58245 829.97398
3360.0000 -215.97553 -207.18828 8.78725 2.67026 -206.77071 822.66180
3365.0000 -216.54092 -205.63230 10.90861 2.67560 -206.66492 815.30212
3370.0000 -216.31137 -205.87344 10.43793 2.69492 -206.28277 841.33559
3375.0000 -216.36413 -204.39341 11.97071 2.76599 -204.87670 886.68820
3380.0000 -214.07505 -204.36097 9.71408 2.79357 -204.33106 901.02018
3385.0000 -212.62171 -203.49981 9.12190 2.82708 -203.66797 937.44765
3390.0000 -216.55363 -206.11107 10.44256 2.81325 -203.94175 911.97047
3395.0000 -214.44229 -205.39042 9.05186 2.77025 -204.79242 882.61150
3400.0000 -214.26288 -203.14030 11.12258 2.81077 -203.99078 891.81617
3405.0000 -211.84995 -201.50534 10.34461 2.89570 -202.31044 961.16789
3410.0000 -213.27077 -202.75449 10.51627 2.86446 -202.92849 960.39028
3415.0000 -214.30534 -204.65267 9.65267 2.82801 -203.64963 904.84458
3420.0000 -216.43878 -206.38646 10.05233 2.75698 -205.05504 870.89380
3425.0000 -214.04086 -203.79788 10.24299 2.73807 -205.42906 860.26907
3430.0000 -212.72637 -203.45737 9.26900 2.84207 -203.37157 921.55944
3435.0000 -214.43290 -204.89200 9.54090 2.77133 -204.77109 892.50293
3440.0000 -216.61950 -206.70768 9.91182 2.69096 -206.36107 818.54801
3445.0000 -214.55947 -205.67560 8.88387 2.75374 -205.11910 869.56345
3450.0000 -215.47068 -207.17330 8.29738 2.67410 -206.69470 776.59259
3455.0000 -216.81732 -206.75002 10.06730 2.64237 -207.32237 820.12330
3460.0000 -214.82818 -203.58252 11.24566 2.75483 -205.09741 871.37592
3465.0000 -214.72518 -205.55759 9.16759 2.76928 -204.81163 860.77777
3470.0000 -213.05190 -202.38023 10.67167 2.78991 -204.40337 882.17241
3475.0000 -215.82790 -204.43401 11.39389 2.80041 -204.19563 887.01082
3480.0000 -214.49364 -205.27544 9.21820 2.74540 -205.28401 880.79288
3485.0000 -215.30538 -206.21645 9.08893 2.71944 -205.79757 859.29878
3490.0000 -216.59081 -207.51408 9.07673 2.68710 -206.43742 813.13054
3495.0000 -215.60087 -205.90898 9.69189 2.67399 -206.69678 805.98567
3500.0000 -216.73912 -206.97682 9.76230 2.67238 -206.72862 806.35835
FREEZING PROCESS: loop number 15 T-loop= 825.00000000000000
main_MD> interactions number 15 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33851 0.68528 -0.75634
force_rgl> df(natom) -2.00067 -8.02623 -2.52919
3505.0000 -216.83190 -206.80526 10.02664 2.67804 -206.61674 841.92288
3510.0000 -214.55576 -206.24814 8.30762 2.66071 -206.95964 803.34394
3515.0000 -213.94178 -204.22979 9.71200 2.75257 -205.14226 850.40797
3520.0000 -216.08584 -205.91964 10.16621 2.76032 -204.98886 878.27945
3525.0000 -215.87429 -206.78822 9.08607 2.70308 -206.12130 847.95932
3530.0000 -215.99356 -205.71112 10.28245 2.63683 -207.43209 794.31746
3535.0000 -214.70252 -205.94073 8.76179 2.72135 -205.75990 871.67229
3540.0000 -216.93788 -206.65551 10.28236 2.67130 -206.75011 822.79225
3545.0000 -216.03431 -206.74358 9.29073 2.69318 -206.31726 848.02883
3550.0000 -215.09603 -205.83364 9.26240 2.68476 -206.48379 804.17365
3555.0000 -216.63024 -207.06231 9.56794 2.69185 -206.34351 830.79015
3560.0000 -216.40847 -206.17808 10.23039 2.67591 -206.65889 831.37107
3565.0000 -215.27746 -205.09319 10.18428 2.70166 -206.14935 825.52367
3570.0000 -216.75039 -207.87958 8.87082 2.69489 -206.28344 820.27222
3575.0000 -216.10873 -207.80686 8.30187 2.61726 -207.81929 801.55652
3580.0000 -215.31039 -204.93473 10.37566 2.63565 -207.45533 789.46104
3585.0000 -216.82361 -205.78595 11.03766 2.72562 -205.67545 837.45855
3590.0000 -216.12091 -206.14142 9.97948 2.73254 -205.53853 865.35711
3595.0000 -215.64045 -206.54506 9.09540 2.68468 -206.48544 840.71652
3600.0000 -216.98205 -206.30369 10.67836 2.70382 -206.10660 843.95239
3605.0000 -215.92303 -205.92319 9.99984 2.70836 -206.01689 866.30778
3610.0000 -214.85135 -205.33635 9.51500 2.73493 -205.49125 869.45537
3615.0000 -215.35993 -206.45555 8.90438 2.69546 -206.27204 814.70548
3620.0000 -216.28848 -207.38439 8.90410 2.63034 -207.56041 796.55260
3625.0000 -217.36880 -206.98095 10.38785 2.65985 -206.97667 832.93654
3630.0000 -217.51489 -206.49918 11.01572 2.67729 -206.63148 852.89390
3635.0000 -217.16455 -207.23792 9.92663 2.63786 -207.41161 811.67509
3640.0000 -216.46229 -207.14860 9.31370 2.64688 -207.23324 819.43327
3645.0000 -216.89410 -206.74784 10.14626 2.64122 -207.34512 829.83335
3650.0000 -217.53623 -208.22488 9.31135 2.61034 -207.95618 811.20263
3655.0000 -218.08813 -207.66560 10.42252 2.60253 -208.11058 788.25923
3660.0000 -214.37182 -204.57533 9.79649 2.73262 -205.53688 890.86346
3665.0000 -214.86239 -205.65316 9.20924 2.72301 -205.72698 864.79074
3670.0000 -216.93333 -205.85622 11.07712 2.73545 -205.48086 871.57231
3675.0000 -217.10415 -207.62403 9.48012 2.66376 -206.89932 832.70890
3680.0000 -216.75646 -207.38782 9.36865 2.61958 -207.77338 803.21742
3685.0000 -216.73136 -208.33759 8.39377 2.58445 -208.46842 748.19121
3690.0000 -215.66183 -206.94008 8.72175 2.64711 -207.22871 811.30291
3695.0000 -216.32489 -206.69097 9.63392 2.66269 -206.92032 785.27040
3700.0000 -216.98303 -207.55868 9.42435 2.62390 -207.68784 805.09330
3705.0000 -215.30839 -205.39383 9.91456 2.66708 -206.83359 796.15648
3710.0000 -216.50371 -206.82760 9.67612 2.67753 -206.62673 808.24775
3715.0000 -215.59860 -207.19958 8.39902 2.65162 -207.13939 825.26885
3720.0000 -215.86628 -205.89558 9.97070 2.65251 -207.12184 812.44154
3725.0000 -216.48259 -207.26344 9.21916 2.67172 -206.74172 840.28362
3730.0000 -216.16395 -207.03631 9.12764 2.64207 -207.32833 818.16045
3735.0000 -216.07633 -207.17419 8.90215 2.63681 -207.43235 786.14032
3740.0000 -215.94348 -206.69480 9.24868 2.69723 -206.23706 860.59065
3745.0000 -216.87672 -207.79509 9.08163 2.63193 -207.52897 781.60717
3750.0000 -216.22551 -206.12583 10.09968 2.68043 -206.56950 829.98152
FREEZING PROCESS: loop number 16 T-loop= 800.00000000000000
main_MD> interactions number 16 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.20812 -2.93062 0.19296
force_rgl> df(natom) 0.12358 -0.14237 3.68678
3755.0000 -217.00981 -207.35040 9.65941 2.66609 -206.85323 826.31383
3760.0000 -216.46743 -208.44810 8.01933 2.59055 -208.34767 790.44199
3765.0000 -218.45923 -209.03859 9.42064 2.57609 -208.63366 791.89447
3770.0000 -216.19811 -206.37582 9.82230 2.66066 -206.96059 818.00305
3775.0000 -217.14317 -208.79079 8.35237 2.61963 -207.77236 783.34029
3780.0000 -217.30710 -207.86162 9.44548 2.61227 -207.91786 757.45386
3785.0000 -216.93427 -208.97417 7.96011 2.56917 -208.77057 753.71314
3790.0000 -217.64854 -209.49292 8.15563 2.53373 -209.47183 727.86259
3795.0000 -218.02906 -209.61512 8.41394 2.52210 -209.70198 731.33649
3800.0000 -216.03495 -207.27244 8.76251 2.60773 -208.00779 775.97914
3805.0000 -216.37275 -206.34582 10.02692 2.66049 -206.96385 817.74983
3810.0000 -216.15480 -206.88147 9.27333 2.66657 -206.84362 819.00246
3815.0000 -214.94551 -205.62041 9.32510 2.69260 -206.32872 823.58310
3820.0000 -215.86821 -206.65455 9.21365 2.68487 -206.48156 844.54045
3825.0000 -216.46097 -206.43311 10.02786 2.67196 -206.73699 835.20830
3830.0000 -215.84792 -205.76381 10.08411 2.66270 -206.92026 818.00466
3835.0000 -217.08800 -208.86539 8.22261 2.61667 -207.83090 804.66236
3840.0000 -217.97358 -209.36490 8.60868 2.56163 -208.91976 767.85136
3845.0000 -216.97597 -208.33073 8.64524 2.58202 -208.51642 777.37039
3850.0000 -217.54824 -208.45036 9.09788 2.59427 -208.27410 796.74449
3855.0000 -217.42202 -208.40896 9.01307 2.59343 -208.29063 774.20049
3860.0000 -216.19957 -207.77299 8.42659 2.63584 -207.45165 775.45070
3865.0000 -215.71741 -205.75569 9.96173 2.66505 -206.87366 802.65654
3870.0000 -216.16441 -206.77986 9.38455 2.69859 -206.21019 828.60094
3875.0000 -215.90454 -207.06346 8.84108 2.64012 -207.36697 790.32076
3880.0000 -215.81257 -205.51031 10.30226 2.70854 -206.01321 855.32694
3885.0000 -215.78772 -206.71170 9.07602 2.70352 -206.11252 829.48997
3890.0000 -214.69786 -206.46585 8.23201 2.68291 -206.52033 845.89675
3895.0000 -217.12669 -207.29575 9.83094 2.65344 -207.10341 813.69569
3900.0000 -216.30336 -207.71685 8.58651 2.62292 -207.70717 803.61118
3905.0000 -215.71798 -205.70223 10.01575 2.69159 -206.34863 850.95404
3910.0000 -215.58839 -206.08528 9.50312 2.67223 -206.73172 802.30083
3915.0000 -213.77224 -204.46108 9.31116 2.76599 -204.87667 893.04242
3920.0000 -213.83011 -205.07603 8.75407 2.72195 -205.74808 845.61131
3925.0000 -214.88702 -205.78577 9.10126 2.73073 -205.57438 868.16283
3930.0000 -215.88518 -207.22285 8.66233 2.70978 -205.98884 854.10658
3935.0000 -215.95639 -208.30295 7.65344 2.61981 -207.76882 814.25410
3940.0000 -215.10853 -206.66945 8.43908 2.64458 -207.27872 812.98587
3945.0000 -217.21371 -207.04371 10.17000 2.68793 -206.42105 843.60193
3950.0000 -217.01937 -208.80680 8.21257 2.62090 -207.74718 823.50607
3955.0000 -215.48376 -206.28798 9.19579 2.61062 -207.95054 801.33711
3960.0000 -215.27543 -206.88331 8.39212 2.68374 -206.50398 797.16479
3965.0000 -215.66699 -207.02219 8.64480 2.69142 -206.35200 798.45264
3970.0000 -215.72643 -208.08111 7.64532 2.67488 -206.67922 814.30895
3975.0000 -217.01148 -208.48984 8.52164 2.61761 -207.81234 801.63147
3980.0000 -216.25381 -207.05439 9.19942 2.64037 -207.36202 811.51830
3985.0000 -216.79471 -209.34271 7.45200 2.60660 -208.03006 783.31197
3990.0000 -216.58411 -207.70600 8.87811 2.59069 -208.34496 776.76576
3995.0000 -217.65925 -209.38656 8.27269 2.60740 -208.01429 796.34396
4000.0000 -217.41612 -207.60197 9.81415 2.56710 -208.81155 757.27639
FREEZING PROCESS: loop number 17 T-loop= 775.00000000000000
main_MD> interactions number 17 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03533 -1.72740 -1.29405
force_rgl> df(natom) -1.21606 -0.44205 0.08791
4005.0000 -216.77626 -208.52871 8.24754 2.60118 -208.13737 819.18762
4010.0000 -216.17536 -207.50090 8.67446 2.57317 -208.69156 771.19716
4015.0000 -217.30195 -207.39036 9.91159 2.64192 -207.33129 796.28632
4020.0000 -220.13019 -210.55027 9.57992 2.55198 -209.11081 781.08034
4025.0000 -216.90414 -207.87538 9.02876 2.56955 -208.76318 788.05649
4030.0000 -215.86774 -207.56981 8.29793 2.60621 -208.03792 778.98133
4035.0000 -216.58730 -207.96005 8.62725 2.63677 -207.43323 806.65915
4040.0000 -217.34133 -208.22208 9.11925 2.62560 -207.65417 800.11566
4045.0000 -217.76154 -207.89605 9.86549 2.62351 -207.69555 804.94897
4050.0000 -217.31443 -209.26192 8.05251 2.54200 -209.30822 770.06716
4055.0000 -216.35408 -207.08651 9.26756 2.58953 -208.36774 773.28464
4060.0000 -218.18738 -208.93951 9.24787 2.63665 -207.43558 797.93320
4065.0000 -215.34838 -206.11033 9.23805 2.62044 -207.75635 782.77728
4070.0000 -215.29699 -204.87513 10.42186 2.76508 -204.89475 881.42238
4075.0000 -215.04417 -204.84392 10.20025 2.75095 -205.17428 863.01856
4080.0000 -218.25660 -208.83206 9.42454 2.66447 -206.88524 813.51346
4085.0000 -219.34031 -209.61800 9.72231 2.56743 -208.80515 771.78894
4090.0000 -216.50096 -207.24883 9.25214 2.58945 -208.36945 773.39387
4095.0000 -216.53151 -208.81699 7.71452 2.64659 -207.23899 797.24862
4100.0000 -216.48443 -207.86064 8.62379 2.58731 -208.41166 761.51728
4105.0000 -217.61626 -207.80522 9.81104 2.61525 -207.85891 799.23488
4110.0000 -215.71844 -206.65522 9.06322 2.61780 -207.80847 782.35518
4115.0000 -216.25379 -207.07784 9.17595 2.64930 -207.18531 818.31979
4120.0000 -216.68655 -206.99499 9.69155 2.63420 -207.48406 801.94929
4125.0000 -218.01659 -209.52970 8.48689 2.59567 -208.24628 757.11577
4130.0000 -216.88285 -207.52337 9.35948 2.57806 -208.59470 758.28399
4135.0000 -216.16187 -208.12315 8.03871 2.60045 -208.15178 782.63716
4140.0000 -217.50121 -208.85057 8.65064 2.56595 -208.83440 759.14905
4145.0000 -217.16517 -209.60928 7.55590 2.53811 -209.38521 743.78359
4150.0000 -217.65670 -207.95917 9.69753 2.61353 -207.89296 804.01326
4155.0000 -218.14017 -208.54213 9.59803 2.61718 -207.82082 813.84534
4160.0000 -218.10017 -209.44013 8.66003 2.56188 -208.91477 748.88485
4165.0000 -217.98432 -208.39729 9.58703 2.58208 -208.51520 779.66333
4170.0000 -218.94221 -210.22326 8.71895 2.54185 -209.31118 756.30050
4175.0000 -216.93669 -209.09141 7.84528 2.50881 -209.96484 720.68694
4180.0000 -219.06310 -210.47388 8.58922 2.56207 -208.91119 749.64772
4185.0000 -218.17666 -208.71321 9.46345 2.55406 -209.06953 774.21295
4190.0000 -217.93544 -208.95282 8.98261 2.56455 -208.86208 762.30036
4195.0000 -218.78811 -209.31781 9.47030 2.57245 -208.70574 783.43786
4200.0000 -216.03844 -207.21580 8.82264 2.61439 -207.87605 790.42653
4205.0000 -218.72775 -209.91896 8.80878 2.64089 -207.35166 810.52685
4210.0000 -217.49489 -208.06158 9.43331 2.55862 -208.97933 776.99060
4215.0000 -216.22622 -207.48354 8.74268 2.60956 -207.97163 802.68558
4220.0000 -216.65661 -207.84697 8.80964 2.63908 -207.38760 810.46902
4225.0000 -217.10498 -208.16828 8.93671 2.58035 -208.54942 772.87468
4230.0000 -217.94250 -208.06563 9.87687 2.57499 -208.65556 760.01794
4235.0000 -216.53343 -207.79525 8.73819 2.63628 -207.44291 807.03501
4240.0000 -214.84130 -208.03645 6.80485 2.57302 -208.69438 763.99220
4245.0000 -218.32146 -208.10004 10.22141 2.60920 -207.97861 789.47093
4250.0000 -216.40371 -207.46740 8.93631 2.57265 -208.70180 774.87919
FREEZING PROCESS: loop number 18 T-loop= 750.00000000000000
main_MD> interactions number 18 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85422 1.56038 1.08602
force_rgl> df(natom) 2.20411 -5.12920 0.02656
4255.0000 -217.08428 -208.71536 8.36892 2.59807 -208.19889 791.90705
4260.0000 -215.51767 -206.19129 9.32638 2.60997 -207.96340 799.77419
4265.0000 -218.19150 -209.08169 9.10981 2.58619 -208.43384 779.90954
4270.0000 -215.51427 -206.94164 8.57263 2.60882 -207.98622 800.32385
4275.0000 -216.86680 -207.43313 9.43368 2.62494 -207.66725 806.14733
4280.0000 -215.82286 -207.31441 8.50845 2.62160 -207.73331 809.80532
4285.0000 -217.32235 -208.45370 8.86866 2.62390 -207.68785 806.52794
4290.0000 -217.24332 -208.47499 8.76833 2.58570 -208.44351 769.78738
4295.0000 -217.13016 -207.43517 9.69499 2.62704 -207.62577 812.23514
4300.0000 -218.67560 -209.99003 8.68557 2.54137 -209.32071 738.53937
4305.0000 -218.60714 -210.30837 8.29878 2.52908 -209.56387 725.66794
4310.0000 -217.05165 -208.85662 8.19503 2.57257 -208.70332 750.04492
4315.0000 -217.06857 -208.11816 8.95041 2.57116 -208.73127 769.28475
4320.0000 -217.57065 -209.71623 7.85441 2.55496 -209.05180 756.57727
4325.0000 -217.29803 -208.17674 9.12128 2.53113 -209.52318 745.97533
4330.0000 -217.59895 -209.58992 8.00903 2.58183 -208.52016 776.25243
4335.0000 -217.53860 -207.98320 9.55540 2.53083 -209.52916 747.48618
4340.0000 -217.60913 -208.74134 8.86779 2.58584 -208.44077 758.08845
4345.0000 -216.77106 -208.11857 8.65249 2.56671 -208.81937 783.24524
4350.0000 -218.68667 -210.60363 8.08304 2.56148 -208.92269 775.57806
4355.0000 -217.03786 -209.30085 7.73700 2.54551 -209.23883 766.38998
4360.0000 -217.55090 -209.04778 8.50312 2.53574 -209.43199 740.86976
4365.0000 -217.51581 -207.52909 9.98672 2.59510 -208.25760 775.26934
4370.0000 -215.51978 -206.96439 8.55538 2.64525 -207.26549 784.88789
4375.0000 -218.35659 -209.98353 8.37305 2.54008 -209.34610 747.34540
4380.0000 -217.74987 -208.94992 8.79994 2.49951 -210.14872 722.30826
4385.0000 -217.50679 -208.54462 8.96217 2.51549 -209.83263 752.72267
4390.0000 -218.16530 -209.11421 9.05108 2.58370 -208.48322 776.79363
4395.0000 -217.98779 -208.36119 9.62660 2.55458 -209.05924 733.31612
4400.0000 -218.65533 -211.34409 7.31124 2.49550 -210.22815 717.37385
4405.0000 -218.87443 -210.05039 8.82404 2.46389 -210.85356 694.23259
4410.0000 -217.89818 -209.67572 8.22246 2.55111 -209.12798 764.63292
4415.0000 -217.39573 -208.40682 8.98891 2.58497 -208.45797 813.25156
4420.0000 -218.15184 -211.04246 7.10938 2.49912 -210.15658 721.30172
4425.0000 -217.56396 -209.50287 8.06109 2.47406 -210.65227 689.23405
4430.0000 -217.81449 -209.34531 8.46918 2.54137 -209.32061 746.29351
4435.0000 -217.91953 -207.90245 10.01707 2.57225 -208.70967 765.15940
4440.0000 -216.03797 -206.98875 9.04922 2.62926 -207.58179 778.84023
4445.0000 -217.26005 -207.74574 9.51431 2.64675 -207.23577 817.58455
4450.0000 -215.83862 -207.65558 8.18305 2.62392 -207.68742 794.57519
4455.0000 -217.42102 -208.37425 9.04676 2.59319 -208.29551 757.04803
4460.0000 -218.81919 -210.73374 8.08545 2.53735 -209.40015 749.02766
4465.0000 -218.62358 -210.42492 8.19866 2.51741 -209.79466 727.99377
4470.0000 -219.83133 -211.51633 8.31500 2.44897 -211.14880 702.50418
4475.0000 -219.03377 -211.53019 7.50358 2.46039 -210.92273 719.61355
4480.0000 -218.61695 -211.16230 7.45465 2.46593 -210.81327 699.08894
4485.0000 -218.39341 -212.25772 6.13569 2.45262 -211.07659 679.06407
4490.0000 -217.60644 -209.69738 7.90906 2.46264 -210.87836 665.02535
4495.0000 -219.71322 -210.08591 9.62731 2.55397 -209.07142 766.81916
4500.0000 -219.14174 -210.14696 8.99478 2.50068 -210.12577 712.18400
FREEZING PROCESS: loop number 19 T-loop= 725.00000000000000
main_MD> interactions number 19 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49902 -1.68760 2.34930
force_rgl> df(natom) -1.49506 0.37284 1.55675
4505.0000 -219.17638 -210.92206 8.25432 2.47255 -210.68218 686.65710
4510.0000 -218.87273 -212.10306 6.76968 2.45258 -211.07733 700.20095
4515.0000 -220.62679 -213.04782 7.57897 2.38638 -212.38703 673.63779
4520.0000 -219.38552 -212.02528 7.36024 2.39971 -212.12339 661.71225
4525.0000 -219.91462 -211.27673 8.63789 2.41551 -211.81063 675.56528
4530.0000 -219.88083 -211.24131 8.63952 2.46188 -210.89332 704.61859
4535.0000 -218.34044 -210.29165 8.04879 2.46806 -210.77111 712.20017
4540.0000 -217.24789 -209.80371 7.44419 2.51372 -209.86777 740.23609
4545.0000 -218.78869 -210.21438 8.57431 2.41911 -211.73947 654.34430
4550.0000 -220.60386 -212.80835 7.79552 2.45955 -210.93939 733.21694
4555.0000 -221.37946 -212.99983 8.37963 2.38663 -212.38203 669.27982
4560.0000 -219.55551 -211.27374 8.28177 2.38370 -212.44001 658.59447
4565.0000 -217.11478 -209.61923 7.49554 2.48362 -210.46314 717.66467
4570.0000 -218.13472 -208.52995 9.60478 2.51341 -209.87377 732.94511
4575.0000 -218.73916 -210.43393 8.30522 2.55477 -209.05550 754.22661
4580.0000 -219.08603 -212.24675 6.83928 2.46140 -210.90286 675.93124
4585.0000 -218.97481 -211.92660 7.04821 2.38647 -212.38522 644.90255
4590.0000 -219.33934 -210.87571 8.46363 2.38213 -212.47102 658.19670
4595.0000 -219.03469 -211.71001 7.32468 2.41383 -211.84392 685.10872
4600.0000 -218.14272 -209.78405 8.35867 2.49536 -210.23094 725.46107
4605.0000 -218.64805 -211.01004 7.63802 2.46575 -210.81666 696.38379
4610.0000 -218.03055 -209.73236 8.29819 2.51485 -209.84534 736.45779
4615.0000 -218.11947 -209.55517 8.56430 2.50088 -210.12176 727.77344
4620.0000 -217.03177 -208.88530 8.14647 2.51136 -209.91439 718.20731
4625.0000 -216.44576 -208.40988 8.03588 2.56422 -208.86852 760.86389
4630.0000 -216.97006 -209.45744 7.51262 2.56650 -208.82340 753.23882
4635.0000 -218.68068 -209.36908 9.31160 2.57416 -208.67198 753.84430
4640.0000 -218.29078 -209.71895 8.57184 2.52457 -209.65293 741.70738
4645.0000 -216.71993 -209.51391 7.20602 2.55714 -209.00874 750.46517
4650.0000 -217.95303 -209.15362 8.79941 2.52637 -209.61748 715.38246
4655.0000 -219.12076 -209.74324 9.37753 2.54949 -209.15995 746.88937
4660.0000 -217.51197 -210.13982 7.37214 2.48016 -210.53157 701.74564
4665.0000 -217.58665 -209.87700 7.70965 2.48337 -210.46807 710.06098
4670.0000 -218.03595 -210.14736 7.88859 2.54030 -209.34176 748.02588
4675.0000 -218.83076 -209.86393 8.96682 2.53040 -209.53774 748.05689
4680.0000 -218.92992 -210.17734 8.75258 2.49926 -210.15382 742.70956
4685.0000 -217.89187 -209.78255 8.10932 2.52250 -209.69403 743.86869
4690.0000 -218.07930 -208.93837 9.14093 2.55931 -208.96568 762.69568
4695.0000 -216.51936 -208.79028 7.72908 2.56397 -208.87353 772.69529
4700.0000 -218.86908 -211.51468 7.35440 2.52188 -209.70621 716.45568
4705.0000 -218.44486 -210.37211 8.07275 2.44866 -211.15487 682.86494
4710.0000 -218.25914 -210.77554 7.48360 2.50995 -209.94223 724.20882
4715.0000 -218.72941 -209.49139 9.23803 2.51177 -209.90627 729.40300
4720.0000 -218.06139 -209.34454 8.71686 2.53434 -209.45981 744.58987
4725.0000 -217.70816 -210.32702 7.38114 2.52388 -209.66658 737.80187
4730.0000 -218.06513 -209.61206 8.45307 2.51660 -209.81079 710.12995
4735.0000 -218.29530 -209.28447 9.01083 2.52583 -209.62809 745.89413
4740.0000 -216.32187 -207.61811 8.70376 2.62329 -207.69989 804.28490
4745.0000 -218.67563 -209.62872 9.04691 2.56888 -208.77644 761.74289
4750.0000 -219.49940 -211.58573 7.91367 2.48755 -210.38546 704.69847
FREEZING PROCESS: loop number 20 T-loop= 700.00000000000000
main_MD> interactions number 20 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.00762 -1.23830 0.55475
force_rgl> df(natom) -0.62334 3.12454 -0.78015
4755.0000 -220.82525 -213.22816 7.59709 2.39172 -212.28139 652.26197
4760.0000 -220.48004 -213.04706 7.43298 2.32252 -213.65047 616.94905
4765.0000 -219.76873 -211.43233 8.33640 2.41613 -211.79840 684.51939
4770.0000 -219.43210 -212.80863 6.62346 2.42334 -211.65577 690.81330
4775.0000 -220.87724 -213.30759 7.56965 2.34228 -213.25953 630.87327
4780.0000 -219.43036 -211.29848 8.13188 2.35814 -212.94582 617.81326
4785.0000 -219.27377 -211.57326 7.70051 2.40279 -212.06242 667.65907
4790.0000 -221.10633 -213.59567 7.51066 2.40234 -212.07126 665.99198
4795.0000 -219.94731 -211.73713 8.21018 2.34691 -213.16800 649.00153
4800.0000 -219.15904 -212.27603 6.88301 2.38767 -212.36153 676.81998
4805.0000 -219.88968 -212.26266 7.62702 2.40616 -211.99573 680.92303
4810.0000 -217.82122 -209.67058 8.15064 2.43668 -211.39187 673.99267
4815.0000 -218.33401 -209.71930 8.61471 2.50848 -209.97136 707.06847
4820.0000 -218.25193 -210.69883 7.55309 2.45952 -210.93996 705.19359
4825.0000 -219.08442 -211.80859 7.27583 2.45271 -211.07478 697.88005
4830.0000 -220.22205 -211.58930 8.63276 2.45400 -211.04911 700.28442
4835.0000 -218.49198 -210.51852 7.97347 2.47449 -210.64384 717.44216
4840.0000 -218.98933 -210.01063 8.97869 2.45690 -210.99182 706.28301
4845.0000 -218.61216 -209.75887 8.85328 2.54346 -209.27926 758.38783
4850.0000 -217.71617 -206.86495 10.85122 2.57838 -208.58844 773.98792
4855.0000 -218.12541 -209.77451 8.35090 2.58725 -208.41292 777.26163
4860.0000 -219.58037 -210.90013 8.68024 2.52041 -209.73540 740.44201
4865.0000 -218.76860 -210.74644 8.02216 2.45503 -211.02881 695.28635
4870.0000 -219.06813 -211.06528 8.00285 2.47051 -210.72264 722.39591
4875.0000 -217.77669 -211.13508 6.64161 2.40929 -211.93370 654.29115
4880.0000 -217.85489 -209.43900 8.41589 2.52173 -209.70930 723.56978
4885.0000 -217.84429 -210.43079 7.41349 2.50739 -209.99284 697.16558
4890.0000 -217.81266 -209.67130 8.14136 2.47581 -210.61775 714.38752
4895.0000 -219.51927 -211.45707 8.06220 2.46888 -210.75491 697.82110
4900.0000 -219.78407 -212.09307 7.69100 2.42091 -211.70393 677.32442
4905.0000 -219.26059 -210.55564 8.70495 2.46940 -210.74453 723.07518
4910.0000 -219.49339 -211.59420 7.89919 2.45094 -211.10967 719.57525
4915.0000 -220.19953 -213.62065 6.57888 2.37955 -212.52224 660.21111
4920.0000 -220.22915 -213.52463 6.70452 2.35428 -213.02209 630.00398
4925.0000 -219.08540 -211.17004 7.91536 2.36934 -212.72411 646.46983
4930.0000 -219.11367 -210.51799 8.59567 2.40412 -212.03599 674.27587
4935.0000 -219.08813 -210.74309 8.34504 2.47902 -210.55411 732.76001
4940.0000 -218.28347 -210.67350 7.60997 2.46511 -210.82946 687.89725
4945.0000 -218.87824 -209.86955 9.00869 2.46297 -210.87181 684.57966
4950.0000 -218.26748 -210.96684 7.30064 2.47998 -210.53522 690.49825
4955.0000 -218.87702 -211.22291 7.65411 2.46149 -210.90102 701.17253
4960.0000 -219.00457 -212.05267 6.95189 2.42091 -211.70382 665.10940
4965.0000 -219.25834 -211.66744 7.59091 2.37673 -212.57786 644.91684
4970.0000 -218.17727 -210.78703 7.39024 2.43922 -211.34155 676.85805
4975.0000 -219.13411 -211.74218 7.39193 2.44044 -211.31746 679.11274
4980.0000 -220.70137 -211.72899 8.97238 2.41640 -211.79319 660.10335
4985.0000 -219.57949 -211.37504 8.20445 2.41748 -211.77164 686.09154
4990.0000 -220.25939 -211.52441 8.73498 2.40500 -212.01865 679.71319
4995.0000 -218.63726 -209.84786 8.78939 2.48054 -210.52418 737.88352
5000.0000 -216.62156 -208.17013 8.45144 2.59239 -208.31120 797.11989
FREEZING PROCESS: loop number 21 T-loop= 675.00000000000000
main_MD> interactions number 21 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.08152 -1.60961 0.65222
force_rgl> df(natom) 1.35492 1.18995 1.34371
5005.0000 -219.93579 -211.95109 7.98470 2.49362 -210.26537 697.90405
5010.0000 -219.15825 -210.97387 8.18438 2.43101 -211.50405 677.00814
5015.0000 -220.96921 -212.80823 8.16097 2.42494 -211.62418 683.08925
5020.0000 -220.07650 -213.00982 7.06669 2.33954 -213.31374 629.07836
5025.0000 -218.99941 -211.98266 7.01675 2.39931 -212.13112 635.98756
5030.0000 -218.13128 -211.51215 6.61913 2.42613 -211.60054 640.83415
5035.0000 -219.88595 -212.39856 7.48740 2.40445 -212.02946 665.69488
5040.0000 -219.57750 -211.09056 8.48694 2.41793 -211.76285 690.13282
5045.0000 -218.19191 -210.85006 7.34186 2.41676 -211.78594 657.39517
5050.0000 -219.35081 -211.57644 7.77437 2.42153 -211.69166 679.67310
5055.0000 -220.24591 -212.55672 7.68919 2.43142 -211.49594 692.46803
5060.0000 -218.36514 -210.89678 7.46836 2.43359 -211.45292 669.69560
5065.0000 -219.00987 -209.73320 9.27667 2.48795 -210.37744 701.91427
5070.0000 -218.78475 -211.67471 7.11004 2.46034 -210.92376 690.11146
5075.0000 -220.15251 -212.75592 7.39659 2.39511 -212.21436 655.25568
5080.0000 -220.36742 -212.58212 7.78529 2.39886 -212.14013 649.01369
5085.0000 -221.16239 -213.14125 8.02113 2.35688 -212.97068 640.65389
5090.0000 -219.44793 -211.58896 7.85897 2.35883 -212.93206 618.74423
5095.0000 -220.16289 -212.04916 8.11372 2.38785 -212.35792 661.59212
5100.0000 -219.73800 -212.61326 7.12474 2.37689 -212.57475 640.07942
5105.0000 -218.26854 -210.79433 7.47421 2.42695 -211.58437 668.78009
5110.0000 -219.80387 -212.39283 7.41104 2.44495 -211.22832 689.90234
5115.0000 -219.90957 -212.00156 7.90801 2.36922 -212.72644 635.15819
5120.0000 -218.92020 -210.72020 8.20000 2.44247 -211.27726 677.56690
5125.0000 -218.41698 -210.62713 7.78985 2.47104 -210.71209 716.90758
5130.0000 -218.58793 -211.58076 7.00717 2.46386 -210.85406 684.94417
5135.0000 -216.50811 -210.43572 6.07239 2.42999 -211.52422 664.47255
5140.0000 -218.53757 -211.11445 7.42312 2.47117 -210.70950 690.59959
5145.0000 -218.48496 -211.42492 7.06005 2.42723 -211.57876 661.03057
5150.0000 -219.21964 -211.07098 8.14867 2.49709 -210.19665 721.76838
5155.0000 -219.20553 -210.99316 8.21237 2.43601 -211.40508 662.03785
5160.0000 -218.67866 -210.18380 8.49486 2.47060 -210.72076 694.99823
5165.0000 -220.01044 -213.02855 6.98188 2.44078 -211.31074 691.07425
5170.0000 -220.45663 -213.45893 6.99770 2.36581 -212.79396 645.47367
5175.0000 -219.83779 -212.56208 7.27570 2.36553 -212.79957 640.20202
5180.0000 -219.59537 -211.68846 7.90691 2.40918 -211.93588 658.92288
5185.0000 -219.01607 -212.31235 6.70372 2.40927 -211.93425 675.51066
5190.0000 -220.47830 -212.91960 7.55871 2.37776 -212.55757 662.71694
5195.0000 -218.92904 -211.62119 7.30785 2.39106 -212.29453 653.98557
5200.0000 -219.49298 -211.45922 8.03376 2.43980 -211.33014 687.12409
5205.0000 -218.38673 -210.63698 7.74974 2.45388 -211.05167 688.76811
5210.0000 -217.45858 -209.58925 7.86933 2.53020 -209.54165 749.74966
5215.0000 -217.74676 -209.54148 8.20528 2.49882 -210.16248 728.41902
5220.0000 -217.23896 -210.10520 7.13377 2.50134 -210.11268 717.41356
5225.0000 -217.83923 -210.52757 7.31166 2.51384 -209.86540 728.59073
5230.0000 -218.95186 -211.72417 7.22769 2.43668 -211.39188 691.06166
5235.0000 -218.76241 -211.33910 7.42330 2.41281 -211.86404 663.63204
5240.0000 -218.67854 -210.47711 8.20142 2.49388 -210.26021 701.94268
5245.0000 -220.74958 -212.09102 8.65856 2.41992 -211.72349 652.04192
5250.0000 -219.78880 -211.64439 8.14441 2.41609 -211.79927 659.73572
FREEZING PROCESS: loop number 22 T-loop= 650.00000000000000
main_MD> interactions number 22 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.53076 1.11868 0.28701
force_rgl> df(natom) 3.19316 -0.18184 4.42010
5255.0000 -219.14976 -211.26047 7.88929 2.44636 -211.20031 649.73079
5260.0000 -218.58029 -211.34300 7.23729 2.44468 -211.23367 666.93693
5265.0000 -219.96808 -212.48133 7.48675 2.39893 -212.13867 646.12277
5270.0000 -219.99738 -212.62674 7.37064 2.38538 -212.40676 638.03766
5275.0000 -218.83400 -212.29548 6.53852 2.40598 -211.99921 650.90177
5280.0000 -219.12623 -210.71172 8.41451 2.44805 -211.16692 664.49746
5285.0000 -217.80026 -208.89642 8.90384 2.48766 -210.38333 715.10471
5290.0000 -217.21704 -208.75369 8.46335 2.52017 -209.74009 726.95968
5295.0000 -220.47160 -212.10360 8.36800 2.48495 -210.43687 713.31113
5300.0000 -219.15937 -211.50364 7.65573 2.38869 -212.34125 674.53720
5305.0000 -220.30604 -212.85640 7.44963 2.41886 -211.74449 692.54381
5310.0000 -219.06205 -211.74036 7.32169 2.38370 -212.43999 659.37973
5315.0000 -218.04153 -209.41916 8.62237 2.46892 -210.75394 690.28089
5320.0000 -218.28850 -211.19046 7.09803 2.46471 -210.83737 699.23271
5325.0000 -219.14827 -212.36629 6.78198 2.39872 -212.14282 648.00812
5330.0000 -219.17695 -211.30441 7.87254 2.40769 -211.96537 649.15156
5335.0000 -220.48208 -212.42871 8.05336 2.42714 -211.58055 686.61652
5340.0000 -218.87179 -211.27969 7.59210 2.42833 -211.55716 679.40433
5345.0000 -219.01351 -211.98250 7.03102 2.40971 -211.92542 657.16674
5350.0000 -220.29115 -212.65349 7.63766 2.41055 -211.90879 655.79536
5355.0000 -219.98925 -212.74947 7.23978 2.39757 -212.16558 632.56502
5360.0000 -221.08544 -214.12148 6.96396 2.33941 -213.31624 624.17271
5365.0000 -221.08032 -214.27809 6.80222 2.34134 -213.27806 634.90926
5370.0000 -220.49849 -213.24562 7.25287 2.31436 -213.81181 605.43790
5375.0000 -219.09601 -211.50179 7.59422 2.39533 -212.20985 645.04453
5380.0000 -219.97821 -212.78239 7.19582 2.39616 -212.19351 638.79515
5385.0000 -220.61022 -212.91541 7.69481 2.38348 -212.44445 674.51420
5390.0000 -220.70265 -213.07146 7.63119 2.35493 -213.00932 633.33442
5395.0000 -218.55672 -211.11416 7.44256 2.43134 -211.49758 674.50357
5400.0000 -219.25845 -211.01756 8.24089 2.45823 -210.96542 672.71525
5405.0000 -219.41408 -211.34817 8.06592 2.46574 -210.81688 694.39215
5410.0000 -219.56961 -213.16442 6.40518 2.37294 -212.65302 630.71079
5415.0000 -221.03626 -212.97983 8.05644 2.38750 -212.36477 634.53347
5420.0000 -220.71578 -213.31849 7.39729 2.38846 -212.34588 639.29823
5425.0000 -219.39517 -211.65876 7.73641 2.35197 -213.06773 617.44715
5430.0000 -220.18917 -212.46693 7.72225 2.40027 -212.11223 654.42230
5435.0000 -219.35010 -212.17899 7.17111 2.41361 -211.84821 663.47158
5440.0000 -220.63149 -213.29428 7.33722 2.37800 -212.55285 662.67129
5445.0000 -221.89106 -213.57072 8.32034 2.32850 -213.53214 633.11946
5450.0000 -220.30004 -211.73713 8.56291 2.34249 -213.25532 652.09880
5455.0000 -219.53617 -212.74317 6.79300 2.38191 -212.47537 651.94052
5460.0000 -218.97371 -212.16695 6.80677 2.36242 -212.86107 633.01513
5465.0000 -219.43683 -210.95238 8.48445 2.39703 -212.17635 657.77656
5470.0000 -218.76857 -211.39213 7.37644 2.44304 -211.26609 686.86443
5475.0000 -221.80305 -213.34252 8.46053 2.37695 -212.57369 645.39071
5480.0000 -220.92814 -211.99514 8.93300 2.38116 -212.49026 648.42247
5485.0000 -219.03840 -212.50687 6.53154 2.37578 -212.59682 645.89979
5490.0000 -219.17642 -212.35512 6.82131 2.39531 -212.21040 629.63375
5495.0000 -220.02922 -212.62007 7.40915 2.35952 -212.91835 598.79222
5500.0000 -219.96759 -212.92435 7.04325 2.36940 -212.72293 644.33428
FREEZING PROCESS: loop number 23 T-loop= 625.00000000000000
main_MD> interactions number 23 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.48092 -3.53484 -3.68729
force_rgl> df(natom) -2.35090 -0.77446 -1.01935
5505.0000 -221.12195 -214.17348 6.94847 2.29320 -214.23045 597.50686
5510.0000 -219.46058 -212.40744 7.05314 2.31801 -213.73967 610.06389
5515.0000 -220.62399 -213.37693 7.24706 2.38705 -212.37374 648.31141
5520.0000 -218.77044 -212.37548 6.39495 2.37293 -212.65305 641.96506
5525.0000 -219.73828 -213.72916 6.00912 2.36201 -212.86914 616.09622
5530.0000 -219.69527 -212.54358 7.15169 2.35769 -212.95456 639.14967
5535.0000 -218.63781 -210.96996 7.66785 2.36971 -212.71690 654.33884
5540.0000 -219.87800 -212.89101 6.98700 2.41455 -211.82966 665.39834
5545.0000 -219.96414 -211.69197 8.27217 2.41572 -211.80653 668.91274
5550.0000 -221.30606 -215.09639 6.20967 2.37431 -212.62576 656.77861
5555.0000 -219.81253 -212.30652 7.50601 2.30919 -213.91416 614.77961
5560.0000 -221.68113 -214.27637 7.40476 2.32484 -213.60455 631.55356
5565.0000 -221.39997 -213.90262 7.49735 2.28697 -214.35385 611.78688
5570.0000 -220.71192 -213.61778 7.09414 2.27056 -214.67847 588.65440
5575.0000 -221.06436 -213.31121 7.75316 2.34343 -213.23679 647.54249
5580.0000 -220.54943 -214.40929 6.14015 2.32273 -213.64624 610.38962
5585.0000 -221.04436 -213.11236 7.93199 2.34453 -213.21493 635.28491
5590.0000 -220.87759 -213.04471 7.83288 2.36929 -212.72513 658.43938
5595.0000 -220.64728 -213.94421 6.70307 2.34597 -213.18653 631.34352
5600.0000 -221.56094 -214.93156 6.62938 2.28117 -214.46844 582.83181
5605.0000 -220.51730 -212.40542 8.11188 2.32161 -213.66837 614.73402
5610.0000 -221.12547 -213.81521 7.31026 2.34830 -213.14044 643.43116
5615.0000 -220.72585 -214.34708 6.37878 2.29695 -214.15626 621.18993
5620.0000 -221.66987 -215.67813 5.99174 2.28901 -214.31336 600.64479
5625.0000 -220.49245 -214.36280 6.12965 2.25409 -215.00436 590.50644
5630.0000 -221.86589 -214.98333 6.88256 2.29463 -214.20216 601.70708
5635.0000 -220.10471 -213.41456 6.69014 2.29839 -214.12785 608.47147
5640.0000 -220.62867 -211.97571 8.65296 2.39401 -212.23615 670.40854
5645.0000 -221.09740 -213.87912 7.21828 2.33558 -213.39205 624.91953
5650.0000 -221.24463 -215.05167 6.19296 2.30038 -214.08849 591.09127
5655.0000 -219.81750 -212.59167 7.22583 2.33331 -213.43706 604.88584
5660.0000 -219.90075 -212.81546 7.08529 2.37730 -212.56659 636.01691
5665.0000 -220.39987 -213.49040 6.90948 2.35954 -212.91806 625.14617
5670.0000 -219.62166 -212.16307 7.45859 2.35713 -212.96565 619.07871
5675.0000 -220.74871 -214.70172 6.04699 2.32012 -213.69792 607.66633
5680.0000 -220.69089 -213.50303 7.18786 2.33107 -213.48122 616.42600
5685.0000 -221.22952 -214.28660 6.94291 2.31792 -213.74144 616.73650
5690.0000 -220.76929 -214.66318 6.10611 2.27369 -214.61660 583.75469
5695.0000 -221.09335 -213.68882 7.40453 2.31100 -213.87839 610.31479
5700.0000 -219.10834 -211.63701 7.47133 2.37683 -212.57603 631.92115
5705.0000 -219.76311 -211.98292 7.78020 2.39907 -212.13588 661.93558
5710.0000 -218.37049 -211.15908 7.21141 2.43452 -211.43466 676.31406
5715.0000 -218.86063 -211.17051 7.69011 2.42828 -211.55797 684.90096
5720.0000 -220.21959 -211.98206 8.23753 2.45200 -211.08875 696.39242
5725.0000 -220.04029 -212.50629 7.53400 2.42410 -211.64075 667.80558
5730.0000 -218.07495 -211.31927 6.75567 2.41862 -211.74916 656.35714
5735.0000 -219.71378 -212.84362 6.87016 2.39513 -212.21382 647.67870
5740.0000 -220.61178 -214.36236 6.24942 2.32011 -213.69813 582.76755
5745.0000 -220.72760 -214.18349 6.54412 2.28265 -214.43922 589.86778
5750.0000 -220.94358 -214.43449 6.50910 2.29069 -214.28018 591.38081
FREEZING PROCESS: loop number 24 T-loop= 600.00000000000000
main_MD> interactions number 24 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48875 1.58436 -0.30417
force_rgl> df(natom) -3.27951 -0.88520 2.95668
5755.0000 -221.02209 -214.79061 6.23148 2.27784 -214.53450 595.42820
5760.0000 -220.67263 -214.64113 6.03150 2.28211 -214.44991 594.54541
5765.0000 -221.17030 -213.92079 7.24951 2.29906 -214.11451 600.25530
5770.0000 -220.68099 -214.33859 6.34240 2.32101 -213.68037 616.99813
5775.0000 -220.55159 -213.75405 6.79754 2.29840 -214.12758 611.08042
5780.0000 -220.97013 -213.72600 7.24413 2.32716 -213.55866 615.30869
5785.0000 -220.77632 -214.22872 6.54760 2.30744 -213.94890 592.58286
5790.0000 -219.49594 -212.57819 6.91775 2.33434 -213.41656 603.63847
5795.0000 -220.60485 -212.47083 8.13403 2.36550 -212.80011 640.90193
5800.0000 -219.82962 -212.09712 7.73251 2.37922 -212.52871 671.23477
5805.0000 -220.48500 -214.09332 6.39168 2.33808 -213.34264 635.62551
5810.0000 -220.51408 -214.29630 6.21778 2.29194 -214.25538 579.10494
5815.0000 -220.95841 -213.28656 7.67185 2.30142 -214.06797 609.90874
5820.0000 -219.61932 -212.18149 7.43784 2.37011 -212.70898 639.05190
5825.0000 -220.45824 -213.06899 7.38926 2.39811 -212.15501 635.96315
5830.0000 -220.30795 -214.07394 6.23401 2.33543 -213.39513 606.87789
5835.0000 -221.47455 -214.90030 6.57424 2.29440 -214.20673 580.70242
5840.0000 -220.91823 -214.56838 6.34985 2.25973 -214.89271 599.25940
5845.0000 -220.74787 -213.98504 6.76283 2.27735 -214.54419 613.48307
5850.0000 -222.03915 -215.09546 6.94369 2.31222 -213.85414 623.14213
5855.0000 -222.06250 -214.82351 7.23899 2.23595 -215.36310 583.93847
5860.0000 -223.05945 -216.52400 6.53545 2.20940 -215.88849 572.71065
5865.0000 -221.88872 -215.73961 6.14912 2.20724 -215.93116 574.57901
5870.0000 -221.82090 -215.51570 6.30519 2.18516 -216.36798 545.36963
5875.0000 -220.60329 -214.41470 6.18859 2.24278 -215.22815 587.47528
5880.0000 -219.84937 -213.63060 6.21877 2.32384 -213.62431 608.35895
5885.0000 -222.08822 -215.32583 6.76239 2.26531 -214.78226 573.89677
5890.0000 -221.23098 -215.39179 5.83919 2.26521 -214.78432 571.47202
5895.0000 -221.16995 -214.39369 6.77626 2.24925 -215.10000 566.74115
5900.0000 -221.87768 -214.54129 7.33639 2.28561 -214.38073 600.21561
5905.0000 -220.94298 -214.48737 6.45560 2.28529 -214.38706 588.22520
5910.0000 -221.22972 -214.44650 6.78322 2.31416 -213.81580 609.87878
5915.0000 -221.15974 -213.76525 7.39449 2.29556 -214.18390 589.29175
5920.0000 -221.60312 -214.28629 7.31683 2.29827 -214.13013 593.36002
5925.0000 -221.28219 -213.93097 7.35122 2.29002 -214.29336 582.18834
5930.0000 -221.10085 -214.60177 6.49908 2.25955 -214.89631 576.68095
5935.0000 -222.52579 -215.53763 6.98816 2.25748 -214.93730 590.20932
5940.0000 -220.93658 -214.28680 6.64978 2.24666 -215.15130 597.10425
5945.0000 -221.44757 -214.67604 6.77153 2.31258 -213.84713 619.12255
5950.0000 -221.68013 -213.75923 7.92091 2.30055 -214.08502 607.33673
5955.0000 -221.10518 -213.86105 7.24413 2.32982 -213.50610 613.00184
5960.0000 -220.97851 -214.73395 6.24456 2.30300 -214.03671 590.06735
5965.0000 -221.77862 -215.18066 6.59796 2.24621 -215.16010 563.89424
5970.0000 -220.89286 -213.50796 7.38490 2.29423 -214.21022 609.11968
5975.0000 -220.12088 -212.37186 7.74902 2.29870 -214.12169 613.27578
5980.0000 -221.61298 -214.66177 6.95121 2.31599 -213.77968 625.91799
5985.0000 -220.27110 -213.68205 6.58905 2.29803 -214.13506 601.48951
5990.0000 -221.52950 -214.22227 7.30723 2.28296 -214.43318 590.92818
5995.0000 -222.08894 -214.58690 7.50204 2.27824 -214.52654 605.82601
6000.0000 -221.75880 -215.61562 6.14318 2.23871 -215.30862 590.18455
FREEZING PROCESS: loop number 25 T-loop= 575.00000000000000
main_MD> interactions number 25 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.00079 0.56203 1.67213
force_rgl> df(natom) -0.72742 -4.64716 -4.17349
6005.0000 -222.23165 -216.04792 6.18373 2.20925 -215.89148 551.93003
6010.0000 -221.31497 -215.32766 5.98731 2.22823 -215.51596 563.23120
6015.0000 -220.77043 -214.66466 6.10576 2.25534 -214.97948 578.30744
6020.0000 -221.41657 -214.96765 6.44892 2.27202 -214.64965 582.16041
6025.0000 -220.96230 -215.34649 5.61581 2.23446 -215.39272 527.27651
6030.0000 -221.43530 -215.84707 5.58823 2.23579 -215.36633 544.01484
6035.0000 -222.76398 -216.38351 6.38047 2.18601 -216.35112 531.64891
6040.0000 -223.12226 -216.95795 6.16431 2.17015 -216.66490 543.06137
6045.0000 -221.37246 -215.34127 6.03119 2.18758 -216.32018 557.21274
6050.0000 -221.97518 -215.53413 6.44106 2.23440 -215.39377 582.31160
6055.0000 -221.88527 -215.19010 6.69517 2.22006 -215.67747 558.07955
6060.0000 -220.76950 -214.22551 6.54399 2.27903 -214.51094 583.00161
6065.0000 -219.58982 -213.07436 6.51546 2.31580 -213.78347 605.39945
6070.0000 -219.56328 -213.46364 6.09964 2.33835 -213.33723 610.65753
6075.0000 -219.87905 -213.28533 6.59372 2.32475 -213.60641 605.09839
6080.0000 -220.96301 -213.12886 7.83415 2.35049 -213.09714 636.58286
6085.0000 -220.22444 -214.21773 6.00671 2.32617 -213.57821 610.28648
6090.0000 -221.00052 -213.81972 7.18080 2.30906 -213.91677 602.67824
6095.0000 -221.82333 -215.21678 6.60656 2.29307 -214.23306 572.25521
6100.0000 -221.78556 -215.41044 6.37512 2.23895 -215.30374 533.14261
6105.0000 -221.90576 -216.24921 5.65655 2.21564 -215.76495 551.69910
6110.0000 -221.73154 -215.03855 6.69298 2.20865 -215.90327 547.12789
6115.0000 -221.39231 -215.82907 5.56324 2.22085 -215.66198 547.33586
6120.0000 -222.51884 -215.65682 6.86202 2.23540 -215.37406 566.16828
6125.0000 -222.91133 -216.45119 6.46014 2.19214 -216.22986 543.21121
6130.0000 -221.57286 -215.20506 6.36780 2.22400 -215.59959 559.77920
6135.0000 -221.68752 -215.28255 6.40497 2.24528 -215.17855 584.41482
6140.0000 -221.04942 -214.44860 6.60082 2.23366 -215.40855 557.39428
6145.0000 -220.55605 -213.13664 7.41942 2.29010 -214.29179 603.21082
6150.0000 -221.39054 -214.82991 6.56063 2.30115 -214.07317 588.52415
6155.0000 -221.77318 -213.98243 7.79076 2.29776 -214.14030 586.94545
6160.0000 -220.21756 -213.19186 7.02570 2.32978 -213.50684 627.98017
6165.0000 -220.66447 -214.79117 5.87330 2.27964 -214.49875 595.99183
6170.0000 -222.39791 -215.03105 7.36687 2.26951 -214.69928 582.20294
6175.0000 -221.71689 -215.29228 6.42461 2.25168 -215.05200 567.05957
6180.0000 -221.57613 -215.59294 5.98320 2.24283 -215.22704 553.35863
6185.0000 -221.53685 -215.45671 6.08014 2.22837 -215.51308 572.47721
6190.0000 -221.55495 -214.21264 7.34231 2.26326 -214.82278 608.19180
6195.0000 -219.80390 -213.86075 5.94315 2.27727 -214.54577 599.14995
6200.0000 -221.36665 -214.94306 6.42360 2.24627 -215.15901 566.93272
6205.0000 -221.00371 -214.69113 6.31257 2.26768 -214.73537 568.89584
6210.0000 -220.07360 -214.17293 5.90067 2.27038 -214.68195 574.49729
6215.0000 -220.54184 -213.59261 6.94923 2.26620 -214.76477 571.32823
6220.0000 -221.26770 -214.63470 6.63300 2.33372 -213.42888 629.01205
6225.0000 -223.53216 -216.87126 6.66091 2.21353 -215.80680 570.73580
6230.0000 -223.22957 -216.75094 6.47863 2.14191 -217.22372 529.52723
6235.0000 -222.57280 -216.00312 6.56968 2.19142 -216.24421 566.60222
6240.0000 -221.67364 -214.59317 7.08047 2.24786 -215.12747 588.81814
6245.0000 -222.19424 -214.77402 7.42022 2.26612 -214.76638 636.11892
6250.0000 -222.35886 -215.64545 6.71341 2.26535 -214.78156 623.64016
FREEZING PROCESS: loop number 26 T-loop= 550.00000000000000
main_MD> interactions number 26 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92260 -1.63717 3.36750
force_rgl> df(natom) 0.57968 -4.32986 -3.26426
6255.0000 -222.37095 -216.48276 5.88820 2.20929 -215.89070 590.67499
6260.0000 -223.54180 -217.71773 5.82407 2.16598 -216.74747 537.09625
6265.0000 -223.89456 -218.07592 5.81864 2.08439 -218.36174 477.38564
6270.0000 -223.53297 -217.45105 6.08192 2.13695 -217.32192 525.75044
6275.0000 -223.51259 -217.55882 5.95377 2.13272 -217.40543 532.50223
6280.0000 -223.52624 -217.88440 5.64184 2.08631 -218.32364 492.67603
6285.0000 -223.34002 -217.07202 6.26800 2.13204 -217.41895 518.65490
6290.0000 -221.99614 -216.77280 5.22335 2.17022 -216.66366 542.00333
6295.0000 -223.03131 -216.70107 6.33024 2.14833 -217.09675 529.21682
6300.0000 -221.54053 -215.51363 6.02691 2.19404 -216.19225 538.92985
6305.0000 -222.13800 -216.20143 5.93657 2.23642 -215.35385 564.33450
6310.0000 -223.72678 -217.86760 5.85918 2.17798 -216.50999 553.40254
6315.0000 -221.23791 -214.26595 6.97196 2.22353 -215.60889 576.31802
6320.0000 -221.16536 -215.60351 5.56185 2.26547 -214.77912 582.75042
6325.0000 -222.03627 -215.51628 6.51998 2.19388 -216.19558 555.62174
6330.0000 -223.08340 -216.45232 6.63109 2.20398 -215.99575 569.26796
6335.0000 -222.47836 -216.79257 5.68578 2.17456 -216.57769 555.07369
6340.0000 -223.49058 -217.45131 6.03927 2.16169 -216.83233 536.19343
6345.0000 -222.21261 -215.81040 6.40221 2.17676 -216.53424 536.75049
6350.0000 -222.63379 -216.90324 5.73055 2.17283 -216.61199 536.74292
6355.0000 -223.18982 -216.70218 6.48763 2.18851 -216.30168 563.01235
6360.0000 -223.00155 -217.03096 5.97059 2.17008 -216.66631 534.08843
6365.0000 -222.33879 -216.58947 5.74932 2.15714 -216.92241 524.59421
6370.0000 -223.35596 -217.08511 6.27085 2.15221 -217.01996 528.62917
6375.0000 -222.89376 -216.68095 6.21282 2.14619 -217.13906 513.90301
6380.0000 -221.41455 -215.01896 6.39559 2.23481 -215.38577 548.87099
6385.0000 -222.17806 -215.87774 6.30032 2.22279 -215.62362 532.08854
6390.0000 -220.65867 -214.67236 5.98632 2.22510 -215.57791 550.24200
6395.0000 -222.73766 -215.25729 7.48037 2.26600 -214.76858 603.16950
6400.0000 -221.84505 -216.08012 5.76492 2.21471 -215.78337 566.21996
6405.0000 -222.79177 -216.50570 6.28608 2.19175 -216.23772 541.72233
6410.0000 -221.13843 -214.91892 6.21951 2.21755 -215.72725 569.19445
6415.0000 -222.58184 -215.97382 6.60802 2.21206 -215.83581 543.48207
6420.0000 -221.80820 -215.76164 6.04656 2.20487 -215.97809 544.18830
6425.0000 -221.81104 -214.90965 6.90139 2.24851 -215.11468 601.92438
6430.0000 -222.11167 -215.99216 6.11952 2.21902 -215.69813 570.02501
6435.0000 -222.45795 -216.20804 6.24990 2.20617 -215.95233 570.22367
6440.0000 -221.88856 -215.70029 6.18827 2.22442 -215.59123 566.98425
6445.0000 -220.86548 -215.13113 5.73435 2.21435 -215.79044 564.36573
6450.0000 -222.04171 -215.83453 6.20718 2.22213 -215.63652 556.37065
6455.0000 -221.56211 -215.75395 5.80816 2.23363 -215.40911 543.17032
6460.0000 -220.79991 -213.27483 7.52508 2.25058 -215.07369 570.17445
6465.0000 -222.16461 -215.52738 6.63723 2.23805 -215.32157 570.24934
6470.0000 -220.95900 -214.90509 6.05391 2.23624 -215.35735 583.71078
6475.0000 -222.21670 -216.84293 5.37378 2.20010 -216.07252 557.33468
6480.0000 -223.61479 -217.58802 6.02677 2.14134 -217.23500 510.21196
6485.0000 -222.19909 -216.28544 5.91364 2.11319 -217.79188 501.11190
6490.0000 -223.14171 -217.53950 5.60221 2.17502 -216.56857 538.37726
6495.0000 -221.88592 -215.36969 6.51623 2.18815 -216.30883 535.03008
6500.0000 -223.01856 -216.12282 6.89574 2.18296 -216.41159 556.97792
FREEZING PROCESS: loop number 27 T-loop= 525.00000000000000
main_MD> interactions number 27 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18509 0.85516 1.88740
force_rgl> df(natom) 0.62938 -0.35445 -0.33578
6505.0000 -223.77537 -218.04190 5.73347 2.18009 -216.46842 570.36518
6510.0000 -224.39116 -218.30492 6.08624 2.10104 -218.03233 508.73852
6515.0000 -223.81210 -217.59057 6.22153 2.09412 -218.16917 509.31034
6520.0000 -224.06329 -218.31533 5.74796 2.07491 -218.54923 509.27770
6525.0000 -224.56586 -218.75203 5.81383 2.06687 -218.70833 511.12340
6530.0000 -225.01722 -218.96506 6.05216 2.07929 -218.46265 523.36162
6535.0000 -224.27272 -218.23151 6.04121 2.06256 -218.79350 507.75234
6540.0000 -223.92502 -218.16709 5.75794 2.10255 -218.00241 538.60380
6545.0000 -225.05166 -219.03314 6.01853 2.06211 -218.80248 518.13739
6550.0000 -225.26323 -218.87894 6.38429 2.06987 -218.64895 506.18953
6555.0000 -223.98252 -218.37459 5.60793 2.07765 -218.49511 524.41961
6560.0000 -223.00172 -217.11078 5.89094 2.10904 -217.87407 535.63830
6565.0000 -222.09750 -215.45897 6.63853 2.18080 -216.45431 556.76735
6570.0000 -222.54922 -216.29138 6.25784 2.20432 -215.98897 551.97366
6575.0000 -221.50477 -216.84345 4.66133 2.18961 -216.28007 532.74776
6580.0000 -222.17452 -216.87346 5.30106 2.17869 -216.49608 512.20683
6585.0000 -222.23278 -216.10299 6.12979 2.19183 -216.23605 516.93347
6590.0000 -222.25926 -216.73902 5.52023 2.16496 -216.76763 528.06453
6595.0000 -221.58240 -215.00916 6.57323 2.22368 -215.60596 569.76517
6600.0000 -221.30975 -214.73632 6.57343 2.24804 -215.12394 584.24416
6605.0000 -223.08197 -215.88878 7.19319 2.21089 -215.85898 574.58723
6610.0000 -221.43211 -215.71650 5.71561 2.21152 -215.84660 538.39486
6615.0000 -222.79504 -217.08317 5.71187 2.18184 -216.43374 511.44661
6620.0000 -223.20586 -216.74904 6.45682 2.16765 -216.71454 514.77465
6625.0000 -223.87134 -218.12917 5.74217 2.15483 -216.96808 522.09938
6630.0000 -223.75843 -217.58080 6.17763 2.11746 -217.70738 499.65412
6635.0000 -223.43836 -217.51361 5.92475 2.12297 -217.59837 520.32185
6640.0000 -223.95525 -218.00707 5.94818 2.13132 -217.43325 526.80956
6645.0000 -224.06122 -218.90027 5.16094 2.07208 -218.60530 494.17221
6650.0000 -223.77499 -218.06947 5.70552 2.08719 -218.30623 503.53646
6655.0000 -224.05874 -218.31953 5.73921 2.08698 -218.31037 508.37804
6660.0000 -223.76447 -218.12677 5.63770 2.10679 -217.91852 502.52003
6665.0000 -223.76560 -219.08341 4.68219 2.06233 -218.79808 459.15867
6670.0000 -222.84799 -217.25030 5.59769 2.13979 -217.26560 515.18115
6675.0000 -223.53051 -217.99610 5.53441 2.12131 -217.63129 498.56259
6680.0000 -223.03946 -216.83919 6.20028 2.11749 -217.70674 506.02106
6685.0000 -222.84324 -216.48750 6.35574 2.17247 -216.61912 540.41430
6690.0000 -222.60435 -216.93882 5.66553 2.17437 -216.58156 541.70914
6695.0000 -223.35527 -217.38861 5.96666 2.14932 -217.07708 530.99628
6700.0000 -224.22916 -218.04040 6.18876 2.11283 -217.79896 505.23501
6705.0000 -222.66682 -217.08861 5.57821 2.12818 -217.49535 535.46983
6710.0000 -223.14091 -217.21654 5.92437 2.13697 -217.32152 540.46151
6715.0000 -223.56576 -217.45708 6.10869 2.09760 -218.10036 499.42588
6720.0000 -223.82009 -217.73458 6.08551 2.10625 -217.92917 482.06319
6725.0000 -222.32475 -216.55670 5.76806 2.12128 -217.63192 503.34638
6730.0000 -222.98533 -216.71912 6.26621 2.18346 -216.40169 547.79161
6735.0000 -223.16734 -217.25705 5.91029 2.15774 -216.91051 529.92044
6740.0000 -223.49278 -217.56707 5.92572 2.13850 -217.29107 509.74774
6745.0000 -222.10765 -216.40608 5.70158 2.16769 -216.71372 522.04397
6750.0000 -221.81242 -215.64093 6.17149 2.20113 -216.05209 547.03330
FREEZING PROCESS: loop number 28 T-loop= 500.00000000000000
main_MD> interactions number 28 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40868 0.46780 0.00975
force_rgl> df(natom) -0.81095 -1.12418 0.83308
6755.0000 -221.91891 -216.87821 5.04070 2.18527 -216.36592 513.42925
6760.0000 -222.18323 -215.60428 6.57895 2.20454 -215.98468 537.36517
6765.0000 -222.35524 -216.27282 6.08242 2.20775 -215.92111 541.98144
6770.0000 -222.07154 -216.91018 5.16136 2.19295 -216.21398 539.42002
6775.0000 -224.42980 -219.21040 5.21939 2.07854 -218.47744 450.35188
6780.0000 -223.66003 -217.37262 6.28741 2.07274 -218.59210 454.33885
6785.0000 -223.48135 -217.87926 5.60208 2.12385 -217.58107 489.83602
6790.0000 -223.50269 -217.43900 6.06368 2.12314 -217.59514 480.73277
6795.0000 -223.05213 -217.18485 5.86728 2.13909 -217.27942 495.00661
6800.0000 -222.90577 -217.47534 5.43043 2.13768 -217.30747 492.88942
6805.0000 -223.58418 -217.28490 6.29928 2.12912 -217.47666 491.99903
6810.0000 -224.14199 -217.04597 7.09603 2.15573 -216.95026 521.54688
6815.0000 -223.84667 -218.75932 5.08735 2.07904 -218.46746 477.97602
6820.0000 -223.63617 -217.83277 5.80340 2.07444 -218.55855 475.19739
6825.0000 -223.40706 -217.79133 5.61573 2.09433 -218.16499 494.34745
6830.0000 -223.42703 -217.83707 5.58996 2.12163 -217.62502 506.12923
6835.0000 -223.71495 -218.16515 5.54979 2.11807 -217.69540 516.51769
6840.0000 -223.67165 -218.25077 5.42087 2.07505 -218.54657 494.34679
6845.0000 -224.61349 -219.33005 5.28344 2.04168 -219.20677 460.05131
6850.0000 -223.67879 -218.18360 5.49519 2.05932 -218.85762 472.57051
6855.0000 -224.44239 -218.43262 6.00977 2.07179 -218.61099 498.20344
6860.0000 -223.98350 -218.43878 5.54472 2.09288 -218.19379 515.52207
6865.0000 -224.61897 -218.43964 6.17933 2.07069 -218.63276 510.15234
6870.0000 -224.77161 -219.09426 5.67736 2.05390 -218.96501 500.62251
6875.0000 -224.43608 -219.49176 4.94432 2.06629 -218.71989 509.81584
6880.0000 -224.97049 -218.46638 6.50411 2.05301 -218.98254 502.77176
6885.0000 -225.19943 -219.33702 5.86241 2.06911 -218.66398 516.23590
6890.0000 -224.66281 -218.06042 6.60240 2.08619 -218.32619 528.23024
6895.0000 -223.93246 -218.44543 5.48702 2.09303 -218.19077 525.10664
6900.0000 -224.10824 -218.41140 5.69684 2.07582 -218.53119 494.51714
6905.0000 -224.23037 -218.87664 5.35372 2.07586 -218.53038 487.94881
6910.0000 -224.88962 -218.51542 6.37419 2.08033 -218.44209 511.43764
6915.0000 -224.45177 -218.87433 5.57744 2.08178 -218.41324 512.20349
6920.0000 -224.39941 -218.28803 6.11138 2.06328 -218.77929 492.08997
6925.0000 -222.99241 -217.57079 5.42162 2.09181 -218.21480 517.00779
6930.0000 -222.84039 -216.69253 6.14786 2.17719 -216.52567 565.11380
6935.0000 -222.84885 -216.72756 6.12129 2.16413 -216.78409 543.05693
6940.0000 -224.48918 -218.99321 5.49596 2.08371 -218.37512 505.65573
6945.0000 -223.50857 -218.49142 5.01715 2.08046 -218.43952 510.50404
6950.0000 -225.05763 -219.09512 5.96251 2.06735 -218.69892 496.76924
6955.0000 -224.77066 -219.67656 5.09410 2.01802 -219.67473 475.29938
6960.0000 -225.53213 -220.65505 4.87708 1.98134 -220.40038 459.33264
6965.0000 -225.34846 -219.03719 6.31127 2.03454 -219.34793 494.24543
6970.0000 -224.86528 -219.37096 5.49432 2.02709 -219.49540 489.30476
6975.0000 -224.43514 -219.21597 5.21917 2.05073 -219.02769 487.61571
6980.0000 -224.11632 -219.21887 4.89745 2.03494 -219.33994 464.77811
6985.0000 -224.37072 -218.54632 5.82440 2.05576 -218.92803 481.10704
6990.0000 -223.30615 -218.18648 5.11967 2.07113 -218.62403 499.29007
6995.0000 -224.08383 -218.46144 5.62239 2.08107 -218.42744 511.87833
7000.0000 -224.49712 -218.87864 5.61848 2.06286 -218.78769 509.04189
FREEZING PROCESS: loop number 29 T-loop= 475.00000000000000
main_MD> interactions number 29 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61846 -1.43259 0.35861
force_rgl> df(natom) 0.64050 -0.38775 -1.08805
7005.0000 -224.14203 -218.17907 5.96297 2.08299 -218.38930 519.52857
7010.0000 -224.79171 -218.83212 5.95959 2.07532 -218.54114 506.89305
7015.0000 -224.16230 -218.48947 5.67284 2.08161 -218.41673 513.95170
7020.0000 -225.08820 -219.96960 5.11860 2.05953 -218.85350 505.75595
7025.0000 -224.51283 -219.18524 5.32758 2.03178 -219.40254 483.07320
7030.0000 -225.61635 -219.56912 6.04724 2.03435 -219.35167 482.82868
7035.0000 -225.39933 -220.13009 5.26923 2.00862 -219.86082 473.34262
7040.0000 -225.63681 -220.38189 5.25491 1.98901 -220.24878 450.87791
7045.0000 -225.53900 -220.36854 5.17046 1.97977 -220.43150 450.59691
7050.0000 -225.20075 -219.66383 5.53692 2.00425 -219.94729 472.27177
7055.0000 -225.54398 -220.55834 4.98564 1.99397 -220.15063 457.21825
7060.0000 -224.95520 -219.32938 5.62582 2.00112 -220.00924 460.76038
7065.0000 -225.22479 -219.54906 5.67573 2.03243 -219.38974 477.88244
7070.0000 -225.33739 -220.04985 5.28754 2.01239 -219.78611 478.31981
7075.0000 -225.38303 -220.55206 4.83097 1.98462 -220.33560 453.60232
7080.0000 -225.30169 -219.43909 5.86260 2.00606 -219.91149 467.59391
7085.0000 -225.55017 -220.65773 4.89244 2.00193 -219.99317 474.11493
7090.0000 -226.01509 -220.31304 5.70205 1.95388 -220.94374 431.07187
7095.0000 -225.55376 -219.63665 5.91712 1.99709 -220.08886 460.23782
7100.0000 -224.72245 -219.60401 5.11844 2.03749 -219.28952 488.71545
7105.0000 -224.63731 -219.27047 5.36684 2.01675 -219.69990 488.10534
7110.0000 -224.17358 -218.10167 6.07191 2.07542 -218.53913 517.53696
7115.0000 -224.48491 -218.13066 6.35425 2.08987 -218.25332 527.12031
7120.0000 -224.81868 -218.60819 6.21049 2.10832 -217.88835 546.74862
7125.0000 -225.06487 -219.55687 5.50800 2.05505 -218.94208 507.09492
7130.0000 -225.43584 -219.60997 5.82588 2.03593 -219.32054 494.10550
7135.0000 -225.80654 -220.38171 5.42483 1.98576 -220.31308 451.33723
7140.0000 -225.85669 -220.05729 5.79940 1.99467 -220.13671 453.85824
7145.0000 -225.30916 -220.45195 4.85722 1.98538 -220.32048 452.06730
7150.0000 -225.01061 -220.60018 4.41043 1.97099 -220.60525 434.89260
7155.0000 -226.08878 -220.67047 5.41831 1.97285 -220.56843 442.04372
7160.0000 -225.50944 -220.40375 5.10569 1.96174 -220.78832 429.39093
7165.0000 -225.25965 -219.17681 6.08284 2.01193 -219.79523 475.66362
7170.0000 -224.83568 -220.03392 4.80177 2.02323 -219.57163 478.06839
7175.0000 -225.30360 -220.77597 4.52763 2.00898 -219.85372 458.01892
7180.0000 -225.04104 -219.71025 5.33080 1.99344 -220.16101 441.96228
7185.0000 -225.17193 -219.21244 5.95948 2.04419 -219.15711 478.03977
7190.0000 -225.00867 -219.05295 5.95572 2.05199 -219.00270 494.01608
7195.0000 -224.71419 -219.56755 5.14664 2.04806 -219.08052 485.16755
7200.0000 -224.70257 -219.39085 5.31171 2.03789 -219.28163 483.76573
7205.0000 -224.67267 -219.05945 5.61321 2.01327 -219.76884 465.12404
7210.0000 -224.39134 -219.25971 5.13163 2.04555 -219.13012 459.02844
7215.0000 -224.03483 -219.59914 4.43569 2.03395 -219.35960 429.29360
7220.0000 -224.13427 -218.68353 5.45074 2.06287 -218.78750 455.70516
7225.0000 -225.61894 -220.28246 5.33648 2.00984 -219.83669 437.85609
7230.0000 -225.68553 -220.57910 5.10643 1.98429 -220.34207 434.13885
7235.0000 -224.83240 -220.17417 4.65823 1.98352 -220.35728 429.01666
7240.0000 -223.85845 -219.36053 4.49793 2.01905 -219.65434 465.79666
7245.0000 -224.57433 -219.74356 4.83076 2.03291 -219.38015 473.30497
7250.0000 -224.44055 -218.90700 5.53355 2.01991 -219.63745 468.39784
FREEZING PROCESS: loop number 30 T-loop= 450.00000000000000
main_MD> interactions number 30 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02709 0.69392 -1.55181
force_rgl> df(natom) 1.16069 -0.48511 -0.63051
7255.0000 -224.77411 -218.93962 5.83449 2.05580 -218.92730 500.42912
7260.0000 -224.60409 -219.28317 5.32093 2.04898 -219.06232 483.49653
7265.0000 -224.55601 -219.50378 5.05223 2.04392 -219.16247 480.58062
7270.0000 -225.57990 -219.78765 5.79225 2.02376 -219.56113 467.52853
7275.0000 -225.34818 -220.09617 5.25201 2.01975 -219.64064 460.12913
7280.0000 -224.55693 -220.09719 4.45974 2.00477 -219.93697 432.48739
7285.0000 -224.76601 -219.51645 5.24957 1.99332 -220.16337 434.32529
7290.0000 -225.15525 -220.77179 4.38346 1.99838 -220.06330 441.87042
7295.0000 -224.67423 -219.80542 4.86881 1.97695 -220.48727 424.67951
7300.0000 -225.37474 -220.05862 5.31612 2.02132 -219.60951 459.31071
7305.0000 -225.58360 -220.46805 5.11555 1.98030 -220.42113 430.44987
7310.0000 -225.92747 -221.01343 4.91404 1.98562 -220.31586 437.62976
7315.0000 -224.79860 -219.53896 5.25964 1.97573 -220.51145 429.41880
7320.0000 -224.92206 -219.42295 5.49910 2.00056 -220.02017 449.98638
7325.0000 -224.81323 -220.03987 4.77337 2.01258 -219.78242 457.34441
7330.0000 -224.90540 -219.36998 5.53542 2.01974 -219.64070 461.67870
7335.0000 -224.60180 -219.11210 5.48970 2.02165 -219.60298 456.02710
7340.0000 -224.36941 -218.93299 5.43642 2.03680 -219.30329 465.20928
7345.0000 -224.76972 -218.65482 6.11490 2.04358 -219.16916 467.10030
7350.0000 -224.77126 -219.76774 5.00352 2.05850 -218.87383 474.96529
7355.0000 -225.45461 -220.23932 5.21528 2.00216 -219.98864 444.34455
7360.0000 -225.18460 -219.91368 5.27093 1.99291 -220.17161 440.00889
7365.0000 -224.90776 -219.58453 5.32323 2.02246 -219.58692 481.21767
7370.0000 -224.53874 -219.20457 5.33417 2.03048 -219.42822 483.43045
7375.0000 -224.88019 -218.34158 6.53860 2.05123 -219.01766 501.34025
7380.0000 -225.12489 -219.02480 6.10010 2.04797 -219.08223 488.11488
7385.0000 -226.05267 -221.63989 4.41278 1.99310 -220.16775 437.37101
7390.0000 -225.24446 -220.75239 4.49208 1.92990 -221.41819 408.41974
7395.0000 -225.78636 -220.11567 5.67069 1.99327 -220.16439 455.11404
7400.0000 -225.50290 -220.51961 4.98329 1.97434 -220.53902 451.23212
7405.0000 -225.54253 -220.10614 5.43639 1.95249 -220.97124 432.88534
7410.0000 -226.26944 -220.86108 5.40836 1.96099 -220.80318 446.45495
7415.0000 -226.30227 -220.93625 5.36602 1.94122 -221.19426 420.77998
7420.0000 -225.38225 -220.53266 4.84959 1.96769 -220.67048 440.30975
7425.0000 -225.97577 -220.67514 5.30063 1.94286 -221.16171 426.41347
7430.0000 -225.08803 -220.39523 4.69281 1.98827 -220.26335 461.95950
7435.0000 -225.95305 -220.38827 5.56478 1.97255 -220.57429 448.07134
7440.0000 -225.24807 -219.00270 6.24538 2.00885 -219.85630 475.54600
7445.0000 -225.22592 -219.46875 5.75717 2.02363 -219.56374 487.56972
7450.0000 -225.50706 -219.52362 5.98343 2.01580 -219.71865 483.56678
7455.0000 -225.73214 -219.99974 5.73241 2.01622 -219.71037 481.68665
7460.0000 -225.60906 -220.38116 5.22789 2.00837 -219.86565 479.17620
7465.0000 -225.50813 -220.50421 5.00392 1.98565 -220.31519 456.85112
7470.0000 -225.92544 -221.15097 4.77447 1.94937 -221.03302 431.86387
7475.0000 -225.98686 -220.73787 5.24899 1.94575 -221.10457 424.02135
7480.0000 -225.52081 -220.91858 4.60223 1.96262 -220.77083 442.02456
7485.0000 -226.35378 -221.89139 4.46240 1.93271 -221.36267 418.21698
7490.0000 -226.65776 -222.59627 4.06149 1.89675 -222.07401 392.37463
7495.0000 -226.56096 -221.38463 5.17633 1.92746 -221.46648 412.03702
7500.0000 -226.04373 -221.39039 4.65334 1.92686 -221.47833 414.60795
FREEZING PROCESS: loop number 31 T-loop= 425.00000000000000
main_MD> interactions number 31 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31205 -1.29285 -1.64384
force_rgl> df(natom) -1.83909 -1.94920 -0.09292
7505.0000 -225.83454 -220.87297 4.96157 1.93382 -221.34059 413.74254
7510.0000 -225.79432 -220.74058 5.05373 1.95492 -220.92326 431.59446
7515.0000 -225.57246 -220.36417 5.20829 1.98047 -220.41774 450.26814
7520.0000 -225.86579 -221.23735 4.62844 1.96058 -220.81129 436.54479
7525.0000 -225.71153 -221.03325 4.67828 1.94679 -221.08403 429.58656
7530.0000 -226.61216 -221.49040 5.12176 1.95869 -220.84865 433.11417
7535.0000 -225.93753 -221.47289 4.46463 1.92480 -221.51908 411.62059
7540.0000 -225.80523 -220.73700 5.06823 1.95145 -220.99190 430.92978
7545.0000 -226.37664 -221.51682 4.85981 1.93283 -221.36030 419.30145
7550.0000 -226.49488 -222.30686 4.18802 1.90062 -221.99746 396.78657
7555.0000 -226.51405 -221.50749 5.00656 1.90174 -221.97525 392.40854
7560.0000 -226.67041 -221.73805 4.93235 1.92005 -221.61315 408.03051
7565.0000 -225.74232 -221.26409 4.47823 1.91364 -221.73982 401.55873
7570.0000 -225.74369 -221.29184 4.45185 1.90990 -221.81378 398.94723
7575.0000 -225.29837 -220.53080 4.76757 1.95370 -220.94727 431.24848
7580.0000 -225.77966 -219.96506 5.81460 2.00193 -219.99317 460.86938
7585.0000 -225.36999 -221.01443 4.35557 1.99385 -220.15290 464.01577
7590.0000 -225.88227 -220.16488 5.71738 1.96711 -220.68197 447.91948
7595.0000 -225.68081 -220.92669 4.75412 1.98414 -220.34500 458.57511
7600.0000 -226.73195 -221.90994 4.82201 1.93624 -221.29276 419.22305
7605.0000 -226.74647 -222.44550 4.30097 1.89011 -222.20545 384.54578
7610.0000 -227.37048 -222.25124 5.11925 1.87780 -222.44898 374.76946
7615.0000 -226.46728 -221.72637 4.74091 1.90104 -221.98924 388.14093
7620.0000 -226.52867 -221.54724 4.98143 1.91480 -221.71700 404.88448
7625.0000 -225.62399 -221.08950 4.53449 1.93389 -221.33932 422.57474
7630.0000 -226.25169 -221.27324 4.97845 1.94925 -221.03529 430.60165
7635.0000 -225.99842 -221.62017 4.37825 1.92222 -221.57019 407.22758
7640.0000 -226.03201 -221.08923 4.94279 1.91329 -221.74680 402.19796
7645.0000 -226.33535 -221.80061 4.53474 1.91080 -221.79611 396.08438
7650.0000 -226.64732 -221.42508 5.22224 1.91519 -221.70918 396.29019
7655.0000 -226.85160 -221.63287 5.21873 1.92875 -221.44090 411.36381
7660.0000 -226.11199 -221.05869 5.05330 1.93689 -221.27988 418.21960
7665.0000 -225.98268 -221.58054 4.40215 1.96198 -220.78349 435.41645
7670.0000 -225.73463 -220.78489 4.94975 1.90949 -221.82201 397.06648
7675.0000 -225.41845 -219.71818 5.70027 1.99444 -220.14128 447.61207
7680.0000 -225.48884 -221.11977 4.36907 1.99366 -220.15676 452.76930
7685.0000 -225.16151 -219.76201 5.39950 1.98268 -220.37398 445.58505
7690.0000 -225.63867 -221.13437 4.50431 1.99161 -220.19738 454.88870
7695.0000 -226.24018 -220.75485 5.48533 1.94323 -221.15439 419.36193
7700.0000 -225.66437 -221.27903 4.38535 1.94303 -221.15851 415.30744
7705.0000 -225.52925 -220.27377 5.25547 1.96376 -220.74829 436.90229
7710.0000 -224.66676 -220.03273 4.63402 1.99326 -220.16464 444.52730
7715.0000 -226.25784 -221.12569 5.13215 1.96935 -220.63762 433.85916
7720.0000 -226.10299 -221.29273 4.81025 1.93344 -221.34809 410.55256
7725.0000 -226.47504 -221.94128 4.53376 1.94482 -221.12297 418.04392
7730.0000 -225.78923 -221.54911 4.24011 1.92081 -221.59793 398.16501
7735.0000 -226.22487 -221.13990 5.08497 1.92809 -221.45403 399.96510
7740.0000 -225.20863 -220.19867 5.00995 1.94860 -221.04824 422.37672
7745.0000 -225.66856 -220.55454 5.11402 1.99675 -220.09559 457.67602
7750.0000 -225.61864 -220.65782 4.96082 1.96482 -220.72736 431.47013
FREEZING PROCESS: loop number 32 T-loop= 400.00000000000000
main_MD> interactions number 32 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.48871 -1.28550 -2.37189
force_rgl> df(natom) 1.33459 0.20237 0.78663
7755.0000 -225.19279 -220.52481 4.66798 1.97144 -220.59628 427.64032
7760.0000 -226.33398 -222.07061 4.26337 1.93228 -221.37106 409.78302
7765.0000 -226.43953 -221.98729 4.45224 1.90399 -221.93077 388.56587
7770.0000 -226.82590 -222.42069 4.40521 1.89859 -222.03756 386.53649
7775.0000 -225.74268 -221.43229 4.31040 1.90258 -221.95861 386.92814
7780.0000 -225.83909 -221.14152 4.69758 1.93360 -221.34490 405.13469
7785.0000 -225.95609 -221.48233 4.47376 1.93585 -221.30043 406.90523
7790.0000 -225.79931 -221.51594 4.28337 1.92964 -221.42342 393.63386
7795.0000 -226.46314 -221.58650 4.87664 1.95498 -220.92206 419.05253
7800.0000 -226.35850 -221.67812 4.68038 1.91233 -221.76580 390.46004
7805.0000 -225.61217 -220.25496 5.35721 1.93239 -221.36895 400.53321
7810.0000 -226.44306 -221.84209 4.60097 1.94806 -221.05896 417.82576
7815.0000 -226.70530 -222.17225 4.53306 1.88563 -222.29403 377.66004
7820.0000 -226.82758 -221.98469 4.84289 1.88509 -222.30471 372.86562
7825.0000 -225.33875 -221.21886 4.11989 1.95069 -221.00694 417.22858
7830.0000 -226.05227 -221.36556 4.68670 1.93796 -221.25873 411.75871
7835.0000 -225.86804 -221.78516 4.08288 1.91867 -221.64045 401.70389
7840.0000 -226.34648 -222.54609 3.80038 1.88940 -222.21944 379.74881
7845.0000 -225.75169 -221.44990 4.30179 1.89886 -222.03234 381.44617
7850.0000 -225.85209 -221.74584 4.10625 1.93017 -221.41279 402.06627
7855.0000 -226.88416 -222.10168 4.78249 1.89763 -222.05655 383.33999
7860.0000 -225.71934 -221.43443 4.28490 1.90201 -221.97007 384.75906
7865.0000 -225.73689 -220.99188 4.74501 1.94684 -221.08301 417.01400
7870.0000 -225.58319 -220.70884 4.87434 1.94154 -221.18787 418.71063
7875.0000 -226.47000 -221.67314 4.79686 1.94181 -221.18265 415.97841
7880.0000 -225.92984 -221.82156 4.10828 1.91120 -221.78817 396.02826
7885.0000 -226.85960 -221.90526 4.95434 1.90042 -222.00151 385.79629
7890.0000 -226.68387 -222.05125 4.63262 1.91535 -221.70608 396.17552
7895.0000 -226.14475 -220.92766 5.21708 1.92793 -221.45709 405.65925
7900.0000 -226.17181 -221.94066 4.23115 1.92542 -221.50683 408.67360
7905.0000 -226.91209 -223.03272 3.87937 1.88207 -222.36452 365.69222
7910.0000 -225.66457 -221.54123 4.12335 1.88855 -222.23635 378.86963
7915.0000 -226.43347 -221.79761 4.63586 1.92348 -221.54522 404.02954
7920.0000 -226.04559 -221.70775 4.33785 1.92349 -221.54495 405.33122
7925.0000 -225.76592 -221.47918 4.28673 1.92975 -221.42115 400.64105
7930.0000 -226.10015 -221.81827 4.28188 1.91021 -221.80773 381.47275
7935.0000 -226.15829 -221.91938 4.23891 1.89317 -222.14488 377.91064
7940.0000 -226.38460 -222.08635 4.29825 1.93309 -221.35502 417.56322
7945.0000 -226.34951 -222.34939 4.00012 1.88652 -222.27643 380.72310
7950.0000 -227.34169 -223.15545 4.18624 1.86937 -222.61565 369.71732
7955.0000 -226.30906 -222.57549 3.73357 1.84174 -223.16235 351.74228
7960.0000 -226.27210 -221.55294 4.71916 1.89308 -222.14667 391.74198
7965.0000 -225.77879 -221.22388 4.55491 1.91103 -221.79142 406.96055
7970.0000 -226.88804 -222.51566 4.37238 1.89719 -222.06542 399.50707
7975.0000 -226.94162 -222.62293 4.31870 1.87537 -222.49706 379.01281
7980.0000 -225.93135 -221.67115 4.26020 1.89082 -222.19126 395.80683
7985.0000 -227.41826 -222.70307 4.71518 1.89194 -222.16914 391.76097
7990.0000 -227.14526 -222.66309 4.48217 1.89541 -222.10045 390.79634
7995.0000 -226.20461 -221.91655 4.28806 1.89845 -222.04034 395.92201
8000.0000 -225.98032 -220.56818 5.41215 1.94101 -221.19828 429.22024
FREEZING PROCESS: loop number 33 T-loop= 375.00000000000000
main_MD> interactions number 33 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.55153 2.07829 -0.80946
force_rgl> df(natom) -0.97516 -0.94359 0.68737
8005.0000 -226.66769 -222.36127 4.30643 1.91600 -221.69311 409.69834
8010.0000 -226.80802 -222.85550 3.95252 1.87302 -222.54354 375.60886
8015.0000 -226.73778 -222.24375 4.49403 1.86978 -222.60769 370.01637
8020.0000 -227.20367 -222.68384 4.51983 1.89056 -222.19643 388.91670
8025.0000 -226.40904 -222.50874 3.90030 1.86750 -222.65277 370.34773
8030.0000 -226.51991 -222.13875 4.38117 1.86629 -222.67674 369.54652
8035.0000 -226.52157 -222.49968 4.02189 1.89295 -222.14922 391.06578
8040.0000 -226.41912 -222.16129 4.25782 1.86851 -222.63280 372.81627
8045.0000 -226.85196 -222.22124 4.63072 1.89191 -222.16974 394.50258
8050.0000 -226.62202 -222.10450 4.51752 1.89594 -222.09004 388.06582
8055.0000 -225.75449 -221.81684 3.93766 1.90194 -221.97143 388.46992
8060.0000 -226.13282 -221.88349 4.24934 1.90908 -221.83018 389.24496
8065.0000 -225.88148 -221.66317 4.21831 1.90609 -221.88917 390.78932
8070.0000 -226.59184 -222.39105 4.20079 1.90884 -221.83480 394.68652
8075.0000 -226.22418 -221.73115 4.49303 1.91449 -221.72299 406.16675
8080.0000 -226.89676 -222.55968 4.33709 1.90238 -221.96256 396.85640
8085.0000 -226.74023 -222.55120 4.18902 1.87150 -222.57359 373.50868
8090.0000 -226.74421 -222.49511 4.24910 1.88046 -222.39633 379.98756
8095.0000 -226.81075 -222.33449 4.47627 1.88474 -222.31173 383.21495
8100.0000 -227.05245 -221.86495 5.18750 1.89921 -222.02535 396.40327
8105.0000 -226.92637 -222.50897 4.41740 1.90848 -221.84198 402.37689
8110.0000 -227.08559 -223.00442 4.08117 1.85827 -222.83530 363.64063
8115.0000 -227.37154 -222.58575 4.78579 1.86725 -222.65776 371.56924
8120.0000 -226.91628 -222.96281 3.95348 1.85922 -222.81657 365.40994
8125.0000 -226.73285 -222.16022 4.57262 1.87405 -222.52309 377.85580
8130.0000 -226.44140 -221.98086 4.46054 1.88977 -222.21218 386.43801
8135.0000 -226.59934 -222.13110 4.46824 1.88970 -222.21350 381.45761
8140.0000 -226.64594 -222.59055 4.05539 1.88491 -222.30819 377.18280
8145.0000 -226.51052 -222.99587 3.51465 1.84848 -223.02909 354.44431
8150.0000 -227.02782 -222.72266 4.30516 1.86955 -222.61217 373.88653
8155.0000 -226.45113 -222.35854 4.09258 1.86064 -222.78846 363.35923
8160.0000 -226.75700 -222.85701 3.89998 1.87872 -222.43079 380.18499
8165.0000 -226.92200 -223.03127 3.89074 1.83818 -223.23287 345.92737
8170.0000 -225.98814 -221.82066 4.16748 1.86469 -222.70840 365.40689
8175.0000 -227.17815 -221.97928 5.19886 1.89406 -222.12720 393.18743
8180.0000 -227.23741 -223.32725 3.91016 1.88767 -222.25369 390.25218
8185.0000 -227.26999 -222.98642 4.28357 1.84085 -223.17994 341.13163
8190.0000 -226.80052 -222.45372 4.34681 1.88681 -222.27064 386.37341
8195.0000 -226.36219 -222.07066 4.29153 1.87326 -222.53886 374.19288
8200.0000 -226.15711 -221.77023 4.38689 1.91256 -221.76118 406.64756
8205.0000 -226.32688 -222.32400 4.00288 1.91027 -221.80653 399.47915
8210.0000 -226.75610 -222.29172 4.46438 1.87995 -222.40634 376.65201
8215.0000 -226.67649 -222.65447 4.02202 1.85920 -222.81694 363.84386
8220.0000 -226.66226 -222.83591 3.82635 1.85562 -222.88771 362.63935
8225.0000 -226.97683 -222.71606 4.26077 1.88159 -222.37393 382.09953
8230.0000 -226.64191 -221.90509 4.73682 1.87374 -222.52925 374.93942
8235.0000 -226.95901 -222.64566 4.31336 1.87891 -222.42702 380.75396
8240.0000 -227.49196 -222.71415 4.77781 1.86355 -222.73087 367.57327
8245.0000 -226.40950 -222.06502 4.34448 1.86941 -222.61487 370.45472
8250.0000 -227.04380 -223.47521 3.56859 1.85546 -222.89089 361.41046
FREEZING PROCESS: loop number 34 T-loop= 350.00000000000000
main_MD> interactions number 34 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24869 -0.24436 0.71463
force_rgl> df(natom) 1.52754 1.45660 -0.09548
8255.0000 -227.12637 -223.25460 3.87177 1.84020 -223.19283 348.86473
8260.0000 -227.42435 -223.26486 4.15949 1.84458 -223.10620 352.60851
8265.0000 -227.66201 -223.70262 3.95939 1.81833 -223.62553 332.15168
8270.0000 -227.45301 -222.95030 4.50270 1.84096 -223.17776 351.31745
8275.0000 -227.73268 -223.86664 3.86604 1.83736 -223.24894 348.57667
8280.0000 -227.18642 -223.11262 4.07380 1.82852 -223.42392 341.39142
8285.0000 -226.41409 -222.26852 4.14557 1.86897 -222.62366 373.76740
8290.0000 -227.25405 -223.46462 3.78942 1.85324 -222.93477 358.60306
8295.0000 -227.78921 -223.69826 4.09095 1.81582 -223.67523 329.70626
8300.0000 -227.52528 -223.82600 3.69928 1.80370 -223.91487 319.02670
8305.0000 -227.03502 -223.16412 3.87090 1.83243 -223.34650 343.10710
8310.0000 -226.51080 -223.26425 3.24655 1.83151 -223.36476 340.42115
8315.0000 -227.09430 -223.34426 3.75005 1.83135 -223.36788 343.50917
8320.0000 -227.53021 -223.79947 3.73074 1.82675 -223.45896 338.49612
8325.0000 -227.64406 -223.19087 4.45319 1.82737 -223.44658 342.51307
8330.0000 -226.86587 -223.05815 3.80772 1.83229 -223.34938 342.27897
8335.0000 -227.19682 -223.43078 3.76603 1.84260 -223.14539 348.97824
8340.0000 -227.06484 -222.97140 4.09344 1.84034 -223.19013 350.34349
8345.0000 -227.53099 -223.26525 4.26574 1.84288 -223.13986 351.18796
8350.0000 -226.93653 -223.46136 3.47517 1.83342 -223.32703 343.47131
8355.0000 -227.45167 -223.42552 4.02615 1.82691 -223.45576 338.30259
8360.0000 -226.65218 -223.36416 3.28802 1.84124 -223.17218 348.42122
8365.0000 -227.36432 -223.31238 4.05194 1.83087 -223.37750 341.08978
8370.0000 -227.41332 -223.17034 4.24298 1.82507 -223.49211 334.87098
8375.0000 -226.83069 -222.97167 3.85902 1.85652 -222.86988 361.82737
8380.0000 -227.18322 -223.27780 3.90543 1.83111 -223.37268 336.85157
8385.0000 -227.19604 -223.17414 4.02191 1.84460 -223.10582 352.40600
8390.0000 -226.94113 -223.23249 3.70865 1.83579 -223.28002 345.34636
8395.0000 -227.29319 -223.59334 3.69985 1.82326 -223.52801 337.47766
8400.0000 -226.83097 -223.01256 3.81841 1.82992 -223.39628 340.50026
8405.0000 -226.65875 -222.61011 4.04864 1.86485 -222.70514 369.61090
8410.0000 -227.23657 -222.83179 4.40479 1.84632 -223.07184 352.57787
8415.0000 -227.66093 -223.93475 3.72618 1.82209 -223.55117 335.83731
8420.0000 -227.03912 -223.22154 3.81758 1.83034 -223.38799 342.81923
8425.0000 -227.56883 -223.91633 3.65251 1.82935 -223.40746 344.74126
8430.0000 -227.34387 -223.54089 3.80298 1.82247 -223.54360 331.97654
8435.0000 -226.62812 -223.00534 3.62278 1.85078 -222.98359 353.63248
8440.0000 -226.80212 -222.69597 4.10615 1.85815 -222.83773 363.52130
8445.0000 -226.96623 -222.25235 4.71388 1.87003 -222.60271 370.20009
8450.0000 -226.70802 -222.21766 4.49036 1.86916 -222.61988 371.94282
8455.0000 -226.73593 -222.71920 4.01673 1.88141 -222.37762 382.92098
8460.0000 -227.25284 -222.73597 4.51687 1.86986 -222.60609 369.07026
8465.0000 -226.72402 -222.34316 4.38086 1.87129 -222.57777 376.72786
8470.0000 -226.53270 -223.09287 3.43984 1.86089 -222.78348 362.21087
8475.0000 -227.14666 -223.24910 3.89757 1.84166 -223.16398 350.12709
8480.0000 -227.39140 -223.06118 4.33022 1.86271 -222.74757 368.65567
8485.0000 -227.43867 -223.39025 4.04842 1.85383 -222.92326 359.70125
8490.0000 -227.05644 -222.90930 4.14714 1.85004 -222.99824 357.37687
8495.0000 -226.56319 -222.12115 4.44204 1.86028 -222.79557 363.53969
8500.0000 -226.40687 -222.72638 3.68049 1.87483 -222.50771 379.25096
FREEZING PROCESS: loop number 35 T-loop= 325.00000000000000
main_MD> interactions number 35 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85148 -1.64847 -0.53179
force_rgl> df(natom) 1.90893 2.32959 0.63222
8505.0000 -226.90726 -222.70680 4.20046 1.85711 -222.85825 361.26427
8510.0000 -227.67310 -223.13111 4.54199 1.83621 -223.27169 346.39099
8515.0000 -227.00110 -223.25220 3.74890 1.83634 -223.26923 343.89015
8520.0000 -227.47455 -223.47802 3.99653 1.82363 -223.52058 334.86158
8525.0000 -227.90013 -224.07163 3.82850 1.80771 -223.83560 321.39464
8530.0000 -227.38466 -223.99543 3.38923 1.78727 -224.24012 306.47963
8535.0000 -227.59285 -223.37427 4.21858 1.83234 -223.34831 338.91048
8540.0000 -227.54511 -223.58189 3.96322 1.82818 -223.43065 337.83761
8545.0000 -227.38245 -223.71370 3.66875 1.82324 -223.52842 336.68229
8550.0000 -227.70996 -224.02697 3.68299 1.81587 -223.67411 330.25343
8555.0000 -227.53136 -224.15416 3.37720 1.80791 -223.83177 322.85313
8560.0000 -227.66545 -223.95981 3.70564 1.78869 -224.21195 309.14062
8565.0000 -227.91389 -224.48921 3.42468 1.78058 -224.37233 302.92834
8570.0000 -227.78976 -223.62630 4.16346 1.79428 -224.10143 311.95793
8575.0000 -228.04973 -224.02633 4.02340 1.81595 -223.67257 329.02327
8580.0000 -227.10495 -223.74327 3.36167 1.80087 -223.97086 317.40564
8585.0000 -227.16053 -223.52581 3.63472 1.81829 -223.62631 330.53384
8590.0000 -226.92073 -223.90451 3.01622 1.80742 -223.84133 321.28457
8595.0000 -227.88222 -224.50944 3.37278 1.79383 -224.11020 310.61037
8600.0000 -227.52959 -223.75103 3.77856 1.78592 -224.26676 308.78497
8605.0000 -226.93990 -223.32339 3.61650 1.82151 -223.56258 333.20674
8610.0000 -227.55150 -223.69742 3.85408 1.83839 -223.22870 348.42420
8615.0000 -227.33291 -223.75797 3.57494 1.79092 -224.16776 311.89081
8620.0000 -227.52737 -223.88570 3.64167 1.82131 -223.56665 335.52652
8625.0000 -227.72699 -224.17558 3.55141 1.79312 -224.12432 313.66493
8630.0000 -227.28474 -223.80159 3.48315 1.80803 -223.82939 323.89856
8635.0000 -227.26282 -223.48654 3.77629 1.81260 -223.73893 325.67670
8640.0000 -227.38898 -223.50088 3.88810 1.81512 -223.68898 331.93988
8645.0000 -227.30512 -224.05025 3.25487 1.79695 -224.04846 316.60804
8650.0000 -227.05689 -223.38479 3.67210 1.79498 -224.08741 312.06952
8655.0000 -227.60332 -223.67930 3.92402 1.82745 -223.44500 340.96110
8660.0000 -227.32316 -223.60175 3.72141 1.82307 -223.53173 333.91312
8665.0000 -227.15513 -223.33327 3.82186 1.81440 -223.70332 328.73008
8670.0000 -227.54369 -223.64897 3.89471 1.83362 -223.32298 345.69077
8675.0000 -226.58720 -222.09426 4.49294 1.85142 -222.97090 361.09821
8680.0000 -227.25189 -222.78503 4.46687 1.85413 -222.91726 361.32920
8685.0000 -226.87393 -222.83744 4.03649 1.85344 -222.93095 361.12579
8690.0000 -227.39466 -223.59200 3.80266 1.84892 -223.02037 354.00508
8695.0000 -227.31298 -224.03854 3.27444 1.81303 -223.73038 329.42748
8700.0000 -227.78526 -224.01216 3.77310 1.80817 -223.82654 323.78004
8705.0000 -227.11637 -224.03954 3.07682 1.80357 -223.91754 318.26100
8710.0000 -227.39204 -223.64498 3.74706 1.80528 -223.88369 320.70711
8715.0000 -227.01149 -223.44627 3.56522 1.80381 -223.91280 321.17471
8720.0000 -227.50467 -223.78155 3.72312 1.80828 -223.82428 322.03147
8725.0000 -227.28971 -224.25527 3.03444 1.80420 -223.90498 320.26708
8730.0000 -227.77148 -224.22364 3.54784 1.79292 -224.12834 312.63522
8735.0000 -227.76606 -224.10110 3.66496 1.79184 -224.14959 311.90245
8740.0000 -227.45748 -223.98409 3.47339 1.79075 -224.17127 309.69434
8745.0000 -227.38821 -223.89762 3.49059 1.80130 -223.96255 316.33484
8750.0000 -227.52484 -223.33454 4.19031 1.80689 -223.85178 321.67165
FREEZING PROCESS: loop number 36 T-loop= 300.00000000000000
main_MD> interactions number 36 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23920 1.35088 -0.33123
force_rgl> df(natom) -0.47077 -0.15759 -0.51103
8755.0000 -227.19631 -223.53348 3.66283 1.82306 -223.53203 333.35149
8760.0000 -227.85630 -224.72797 3.12833 1.79611 -224.06520 314.04086
8765.0000 -228.37964 -225.20925 3.17039 1.75120 -224.95357 279.59529
8770.0000 -227.57582 -224.61025 2.96558 1.75386 -224.90099 282.93703
8775.0000 -228.12353 -225.06450 3.05903 1.74909 -224.99531 273.31475
8780.0000 -227.90608 -224.24847 3.65761 1.76706 -224.63991 288.94043
8785.0000 -227.65103 -224.09396 3.55707 1.79688 -224.04993 317.54423
8790.0000 -227.78016 -223.96054 3.81962 1.80390 -223.91101 318.96586
8795.0000 -227.96557 -224.91493 3.05064 1.77555 -224.47194 295.55040
8800.0000 -227.83423 -223.95524 3.87899 1.77089 -224.56402 293.53821
8805.0000 -227.68404 -224.49959 3.18445 1.79185 -224.14936 309.09777
8810.0000 -228.43373 -224.93795 3.49578 1.75542 -224.87022 282.19556
8815.0000 -227.71905 -224.65445 3.06460 1.76775 -224.62630 290.44885
8820.0000 -227.45127 -224.01518 3.43610 1.77097 -224.56252 293.91979
8825.0000 -228.01585 -224.69942 3.31643 1.78422 -224.30037 302.88458
8830.0000 -227.42804 -223.80115 3.62689 1.78128 -224.35854 303.06151
8835.0000 -228.02227 -223.51642 4.50586 1.80862 -223.81757 323.35600
8840.0000 -227.49379 -223.74814 3.74565 1.81653 -223.66106 330.53837
8845.0000 -227.85231 -224.60379 3.24852 1.79476 -224.09184 314.29563
8850.0000 -227.38590 -224.17419 3.21171 1.77035 -224.57486 291.65796
8855.0000 -227.70347 -224.18262 3.52085 1.78814 -224.22273 306.88286
8860.0000 -227.61877 -223.69721 3.92156 1.78190 -224.34629 303.42175
8865.0000 -227.58891 -224.18430 3.40461 1.81780 -223.63605 330.23438
8870.0000 -228.66138 -225.08131 3.58007 1.77054 -224.57100 292.66877
8875.0000 -228.52162 -225.16053 3.36109 1.73406 -225.29266 261.57345
8880.0000 -228.26529 -225.18926 3.07602 1.74218 -225.13210 269.43609
8885.0000 -228.39139 -225.31582 3.07558 1.73429 -225.28814 262.42173
8890.0000 -228.20107 -225.02012 3.18094 1.75104 -224.95672 278.94748
8895.0000 -228.27036 -224.99053 3.27982 1.74122 -225.15103 269.39415
8900.0000 -228.43587 -224.40701 4.02885 1.76509 -224.67891 290.40313
8905.0000 -227.59740 -224.16732 3.43008 1.78540 -224.27704 305.08829
8910.0000 -227.47315 -224.08728 3.38587 1.80378 -223.91342 320.37619
8915.0000 -227.25432 -223.39802 3.85630 1.79400 -224.10696 310.06039
8920.0000 -227.23604 -223.33775 3.89829 1.82439 -223.50559 336.87243
8925.0000 -227.86320 -224.69713 3.16607 1.79431 -224.10068 316.06012
8930.0000 -228.05295 -224.24289 3.81006 1.78486 -224.28764 304.47579
8935.0000 -227.14418 -223.53453 3.60965 1.81667 -223.65828 330.44282
8940.0000 -227.92706 -223.89760 4.02945 1.80316 -223.92571 316.32662
8945.0000 -227.54396 -224.02977 3.51419 1.80036 -223.98113 316.34370
8950.0000 -227.64635 -224.25628 3.39007 1.79783 -224.03109 315.54234
8955.0000 -227.05781 -223.94395 3.11387 1.79783 -224.03112 315.73671
8960.0000 -227.66433 -224.18862 3.47570 1.79656 -224.05621 311.34783
8965.0000 -228.09537 -224.36509 3.73028 1.77291 -224.52407 294.12852
8970.0000 -227.89715 -224.71127 3.18587 1.76741 -224.63301 292.87918
8975.0000 -227.64594 -224.36624 3.27970 1.76373 -224.70570 288.18589
8980.0000 -227.28056 -223.95410 3.32647 1.80830 -223.82395 323.44948
8985.0000 -227.41658 -223.10758 4.30901 1.81855 -223.62125 327.92782
8990.0000 -227.66356 -224.07122 3.59235 1.81720 -223.64786 331.87338
8995.0000 -227.98443 -224.95703 3.02740 1.78994 -224.18722 312.55182
9000.0000 -228.35519 -225.14980 3.20540 1.74952 -224.98679 276.02888
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 17 [min], 15.1746616 [s].
main_MD> Deallocating global variables
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