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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_34/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_34.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 = 34 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 34 3400
main_MD> Size of nv and nvoiz: 34 3400
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 = 34
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> -3.8682634987154491E-002 -2.0107581895197183E-002 2.4796677051977203E-002 initial drift of cluster / NP1 for coalescence
init> 0.30579982247184850 0.32076016649259592 0.26871608419722987 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8065387231511444E-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) -0.99833 -2.02799 -0.97463
force_rgl> df(natom) 5.51064 -1.48373 -0.79493
preparo> THERMALIZATION PROCESS AT 1259.6621196718816
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -67.906256529671168 7.4902384826886657 -75.396495012359836 6.7800455169632476E-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 38
FREEZING PROCESS: loop number 1 T-loop= 1232.0000000000000
main_MD> interactions number 1 at Temperature= 1232.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.78647 -0.27769 0.95872
force_rgl> df(natom) -4.71906 3.07380 -1.44397
5.0000 -77.91991 -72.40147 5.51844 2.89399 -69.92737 1307.99634
10.0000 -78.51610 -72.86133 5.65477 2.71119 -71.84586 1202.90771
15.0000 -76.89281 -71.41729 5.47552 2.63901 -72.60333 1137.43133
20.0000 -74.90444 -70.21544 4.68900 2.81692 -70.73624 1324.43339
25.0000 -77.12748 -71.97592 5.15156 2.74468 -71.49440 1243.36077
30.0000 -77.30840 -70.72738 6.58102 2.73713 -71.57363 1193.72428
35.0000 -74.92444 -71.00465 3.91979 2.75171 -71.42057 1198.53805
40.0000 -76.71326 -71.31945 5.39382 2.72955 -71.65317 1159.50484
45.0000 -76.83635 -71.16035 5.67600 2.86667 -70.21400 1340.65941
50.0000 -77.62186 -70.37051 7.25134 2.78438 -71.07770 1224.28029
55.0000 -74.47644 -68.17715 6.29930 3.00145 -68.79957 1477.02765
60.0000 -76.09156 -70.10643 5.98513 3.02579 -68.54410 1433.32631
65.0000 -75.95050 -70.25872 5.69178 2.83665 -70.52908 1242.00366
70.0000 -76.97800 -71.02629 5.95172 2.89820 -69.88312 1389.09491
75.0000 -75.73952 -70.15134 5.58818 2.89193 -69.94892 1386.80192
80.0000 -73.65499 -69.29918 4.35581 2.96160 -69.21776 1402.81854
85.0000 -76.63119 -70.70880 5.92239 2.88119 -70.06162 1318.17216
90.0000 -77.06232 -70.75698 6.30534 2.84736 -70.41676 1301.37174
95.0000 -76.46157 -69.93413 6.52744 2.83306 -70.56683 1248.24460
100.0000 -76.39555 -69.44330 6.95225 2.92276 -69.62539 1369.51034
105.0000 -76.65197 -72.23906 4.41291 2.76323 -71.29971 1235.94222
110.0000 -76.84688 -72.24668 4.60020 2.63045 -72.69317 1155.09156
115.0000 -77.04985 -71.57906 5.47079 2.73752 -71.56955 1230.20787
120.0000 -76.70627 -72.30001 4.40626 2.70357 -71.92576 1199.84075
125.0000 -77.50698 -70.92072 6.58625 2.73391 -71.60740 1184.78798
130.0000 -75.01645 -71.27119 3.74526 2.77538 -71.17213 1259.81061
135.0000 -75.49608 -69.91224 5.58384 2.85483 -70.33829 1296.91705
140.0000 -76.80852 -72.29148 4.51704 2.77943 -71.12969 1230.98589
145.0000 -76.18741 -71.00529 5.18212 2.75419 -71.39459 1257.90571
150.0000 -76.55775 -71.46891 5.08884 2.76786 -71.25103 1258.66448
155.0000 -77.11697 -72.74932 4.36765 2.71838 -71.77042 1235.51584
160.0000 -77.20661 -71.61195 5.59466 2.76410 -71.29051 1251.08656
165.0000 -77.57092 -72.94389 4.62703 2.69185 -72.04882 1140.95373
170.0000 -78.25715 -73.39585 4.86131 2.49893 -74.07354 1014.46461
175.0000 -77.23847 -73.06453 4.17393 2.58011 -73.22156 1108.24812
180.0000 -78.45654 -73.30033 5.15621 2.63769 -72.61725 1191.09898
185.0000 -78.24685 -74.08347 4.16338 2.49045 -74.16257 1024.87573
190.0000 -77.22234 -71.37447 5.84786 2.62843 -72.71443 1178.97979
195.0000 -76.24063 -70.72724 5.51338 2.86041 -70.27971 1350.73731
200.0000 -75.61856 -70.30812 5.31044 2.81798 -70.72508 1279.27478
205.0000 -76.71670 -71.13599 5.58071 2.71431 -71.81310 1197.19446
210.0000 -76.52342 -71.01624 5.50718 2.77100 -71.21812 1200.19005
215.0000 -78.32967 -73.28879 5.04088 2.69585 -72.00679 1150.20561
220.0000 -78.15767 -72.52844 5.62923 2.74170 -71.52562 1267.72370
225.0000 -77.46062 -72.12244 5.33818 2.68606 -72.10953 1172.40595
230.0000 -77.32780 -71.85735 5.47046 2.66409 -72.34013 1150.47750
235.0000 -76.48628 -71.31531 5.17097 2.80422 -70.86948 1289.45286
240.0000 -76.60340 -71.85203 4.75137 2.77114 -71.21670 1230.73466
245.0000 -76.69708 -72.39221 4.30487 2.67970 -72.17634 1160.82702
250.0000 -76.70510 -71.48588 5.21922 2.75396 -71.39695 1254.69233
FREEZING PROCESS: loop number 2 T-loop= 1207.0000000000000
main_MD> interactions number 2 at Temperature= 1207.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25380 -5.07484 3.97267
force_rgl> df(natom) 2.22196 -7.38718 -8.50472
255.0000 -78.05114 -73.10384 4.94730 2.64471 -72.54358 1153.35337
260.0000 -76.96856 -72.39290 4.57566 2.53679 -73.67616 1016.83362
265.0000 -77.28139 -72.17738 5.10401 2.59938 -73.01927 1132.94059
270.0000 -76.52651 -72.56102 3.96548 2.65611 -72.42389 1110.26644
275.0000 -79.08360 -72.97360 6.10999 2.64371 -72.55404 1084.33899
280.0000 -76.57394 -69.95676 6.61718 2.75577 -71.37800 1224.34754
285.0000 -77.94086 -72.32543 5.61543 2.70870 -71.87201 1178.70219
290.0000 -78.25151 -72.14719 6.10432 2.78435 -71.07803 1277.50550
295.0000 -77.95647 -72.26459 5.69188 2.68473 -72.12350 1202.16959
300.0000 -77.59503 -72.10866 5.48636 2.66497 -72.33090 1197.99641
305.0000 -75.66340 -70.26015 5.40325 2.77399 -71.18674 1242.50530
310.0000 -75.06153 -69.43252 5.62901 2.81187 -70.78923 1277.11245
315.0000 -77.31225 -71.97826 5.33400 2.82444 -70.65724 1314.21835
320.0000 -78.30805 -72.01203 6.29603 2.78037 -71.11974 1279.07649
325.0000 -76.20864 -69.66467 6.54397 2.77418 -71.18474 1289.67726
330.0000 -75.94232 -70.94223 5.00009 2.86411 -70.24091 1356.70887
335.0000 -77.75313 -72.44005 5.31308 2.73486 -71.59737 1202.13963
340.0000 -77.62534 -72.16048 5.46486 2.67666 -72.20819 1227.46762
345.0000 -77.52109 -72.02140 5.49969 2.63730 -72.62130 1168.82708
350.0000 -78.05391 -72.35317 5.70074 2.63958 -72.59739 1178.54768
355.0000 -75.84244 -68.95956 6.88288 2.86495 -70.23214 1373.00153
360.0000 -76.95904 -71.78210 5.17693 2.78718 -71.04836 1289.19591
365.0000 -78.47950 -74.45422 4.02528 2.62516 -72.74872 1154.06087
370.0000 -77.84357 -72.88130 4.96227 2.55202 -73.51630 1007.71473
375.0000 -78.62194 -71.91970 6.70224 2.64618 -72.52810 1107.06377
380.0000 -76.63986 -71.42576 5.21410 2.66037 -72.37920 1162.93355
385.0000 -77.84057 -71.76487 6.07571 2.75076 -71.43050 1226.83383
390.0000 -76.18483 -70.81680 5.36803 2.75431 -71.39330 1241.69585
395.0000 -75.66202 -71.73005 3.93198 2.74163 -71.52637 1218.77745
400.0000 -76.79620 -70.60500 6.19120 2.72547 -71.69598 1209.78563
405.0000 -77.57189 -69.92596 7.64592 2.84701 -70.42044 1337.57424
410.0000 -77.22166 -71.82763 5.39403 2.82129 -70.69033 1307.90134
415.0000 -76.16958 -70.01933 6.15025 2.77898 -71.13437 1312.98680
420.0000 -76.90847 -70.65322 6.25525 2.84837 -70.40617 1346.03861
425.0000 -76.17225 -69.80282 6.36943 2.88804 -69.98977 1314.77037
430.0000 -77.09875 -71.66439 5.43435 2.84659 -70.42482 1284.97004
435.0000 -76.38893 -69.90474 6.48419 2.82382 -70.66377 1290.90059
440.0000 -77.53834 -74.15119 3.38716 2.68036 -72.16937 1161.73283
445.0000 -77.58587 -71.02610 6.55978 2.61125 -72.89473 1084.99004
450.0000 -77.47893 -70.56731 6.91161 2.76356 -71.29616 1252.06585
455.0000 -76.35343 -71.94559 4.40784 2.75766 -71.35811 1280.22383
460.0000 -76.19748 -71.38156 4.81592 2.81580 -70.74789 1256.70740
465.0000 -76.52496 -71.66773 4.85723 2.72195 -71.73291 1227.80322
470.0000 -77.93719 -72.31362 5.62357 2.76229 -71.30949 1241.65486
475.0000 -76.28961 -71.62465 4.66496 2.68119 -72.16071 1188.58002
480.0000 -79.19500 -73.00834 6.18666 2.62837 -72.71505 1146.30557
485.0000 -77.92100 -72.86024 5.06076 2.58161 -73.20583 1094.52630
490.0000 -77.04993 -72.89209 4.15783 2.69460 -72.01995 1150.05660
495.0000 -76.94935 -72.03176 4.91758 2.71464 -71.80967 1204.55876
500.0000 -77.06572 -71.29154 5.77418 2.68729 -72.09661 1200.03817
FREEZING PROCESS: loop number 3 T-loop= 1182.0000000000000
main_MD> interactions number 3 at Temperature= 1182.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38506 0.15604 3.28101
force_rgl> df(natom) -1.02524 0.07670 -3.43057
505.0000 -76.75690 -71.35149 5.40541 2.74933 -71.44552 1225.36076
510.0000 -76.72549 -70.83764 5.88785 2.82342 -70.66792 1267.07497
515.0000 -78.85227 -72.77507 6.07720 2.63645 -72.63020 1109.42301
520.0000 -77.14354 -72.27641 4.86713 2.74086 -71.53447 1266.77070
525.0000 -77.40143 -72.93448 4.46695 2.63894 -72.60407 1094.29420
530.0000 -77.85015 -72.72944 5.12072 2.67468 -72.22902 1102.85365
535.0000 -78.37677 -72.65206 5.72471 2.66568 -72.32343 1153.34256
540.0000 -78.45990 -74.18917 4.27073 2.59859 -73.02758 1140.50812
545.0000 -78.71093 -74.40603 4.30490 2.49590 -74.10528 967.08224
550.0000 -78.26012 -73.27624 4.98387 2.50315 -74.02928 1048.03847
555.0000 -77.24287 -72.03024 5.21263 2.63641 -72.63063 1177.61248
560.0000 -76.22449 -70.97092 5.25357 2.68451 -72.12586 1120.46178
565.0000 -78.53509 -72.99027 5.54482 2.77805 -71.14412 1270.23549
570.0000 -78.23328 -73.58922 4.64406 2.53897 -73.65333 1030.91958
575.0000 -77.50676 -72.08266 5.42410 2.55167 -73.51998 1046.67673
580.0000 -76.92686 -71.49757 5.42929 2.71504 -71.80541 1210.07640
585.0000 -75.73769 -69.79262 5.94507 2.80870 -70.82247 1325.10975
590.0000 -77.24097 -71.17024 6.07072 2.81389 -70.76794 1297.54231
595.0000 -78.50964 -73.02977 5.47988 2.72144 -71.73831 1204.08020
600.0000 -78.13076 -73.83769 4.29307 2.62430 -72.75770 1124.92300
605.0000 -77.95673 -72.72921 5.22753 2.56622 -73.36731 1114.38553
610.0000 -75.64507 -70.86750 4.77757 2.65627 -72.42226 1152.45865
615.0000 -76.90319 -70.85006 6.05313 2.87762 -70.09917 1413.18637
620.0000 -75.73859 -70.33348 5.40512 2.80830 -70.82670 1290.94610
625.0000 -78.70047 -72.29359 6.40688 2.79730 -70.94215 1294.20616
630.0000 -78.10167 -73.01262 5.08905 2.62499 -72.75051 1080.45912
635.0000 -76.88907 -71.70499 5.18408 2.57717 -73.25242 1083.77361
640.0000 -75.29896 -71.04571 4.25324 2.78787 -71.04109 1302.55557
645.0000 -76.22040 -70.24111 5.97929 2.78655 -71.05491 1272.79971
650.0000 -75.78562 -70.81554 4.97007 2.83402 -70.55668 1309.72739
655.0000 -76.09668 -71.96559 4.13110 2.80577 -70.85321 1256.68443
660.0000 -77.02969 -71.98551 5.04418 2.72791 -71.67038 1167.37301
665.0000 -78.15577 -72.56670 5.58907 2.65058 -72.48190 1175.04013
670.0000 -78.19128 -74.10521 4.08607 2.58182 -73.20356 1089.66786
675.0000 -77.93630 -73.77586 4.16045 2.54842 -73.55408 1028.29450
680.0000 -78.29365 -72.33229 5.96136 2.67040 -72.27390 1151.09888
685.0000 -78.76449 -73.15799 5.60651 2.66106 -72.37190 1160.25817
690.0000 -77.21509 -72.12827 5.08681 2.66292 -72.35240 1154.26229
695.0000 -76.98191 -70.53923 6.44268 2.70906 -71.86817 1172.91858
700.0000 -77.98926 -72.46382 5.52543 2.78227 -71.09989 1335.20936
705.0000 -79.00980 -74.56464 4.44516 2.52516 -73.79827 1051.03317
710.0000 -77.60018 -71.27171 6.32847 2.61008 -72.90698 1153.39654
715.0000 -75.61829 -70.58339 5.03490 2.75770 -71.35769 1213.11985
720.0000 -76.59699 -68.41689 8.18010 2.93911 -69.45380 1416.32845
725.0000 -76.66819 -70.03436 6.63383 2.97325 -69.09545 1344.65642
730.0000 -78.07896 -73.44133 4.63763 2.75235 -71.41383 1246.66143
735.0000 -76.47614 -70.98171 5.49443 2.63424 -72.65347 1207.02059
740.0000 -76.45061 -70.96419 5.48641 2.77446 -71.18183 1288.21770
745.0000 -78.06383 -74.28752 3.77631 2.61687 -72.83576 1017.85023
750.0000 -77.53073 -73.70843 3.82231 2.50323 -74.02842 995.52208
FREEZING PROCESS: loop number 4 T-loop= 1157.0000000000000
main_MD> interactions number 4 at Temperature= 1157.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.23791 -1.46898 -0.36447
force_rgl> df(natom) 0.35386 -3.11551 0.41240
755.0000 -77.82105 -73.91333 3.90772 2.56687 -73.36047 1035.29527
760.0000 -78.04350 -73.83999 4.20351 2.46366 -74.44363 956.80352
765.0000 -78.89557 -74.75236 4.14321 2.52185 -73.83299 1030.35876
770.0000 -79.66299 -75.63254 4.03046 2.38144 -75.30662 926.27113
775.0000 -78.83720 -73.47518 5.36201 2.52753 -73.77339 1035.85369
780.0000 -77.49433 -72.97982 4.51452 2.53680 -73.67611 1032.23353
785.0000 -78.10161 -74.34347 3.75814 2.52749 -73.77375 982.16171
790.0000 -78.49307 -73.86271 4.63036 2.53126 -73.73426 1032.85022
795.0000 -77.71348 -74.06852 3.64495 2.55759 -73.45791 1096.53259
800.0000 -79.75550 -74.27377 5.48173 2.49528 -74.11187 1039.70304
805.0000 -77.38157 -72.91403 4.46755 2.53034 -73.74387 1064.44172
810.0000 -77.43137 -72.25669 5.17468 2.65153 -72.47195 1089.33832
815.0000 -78.04456 -72.97943 5.06513 2.63891 -72.60437 1148.81244
820.0000 -78.99602 -72.86695 6.12907 2.54871 -73.55109 1022.78898
825.0000 -77.14099 -71.91718 5.22381 2.67010 -72.27708 1196.81820
830.0000 -76.97585 -71.90593 5.06992 2.72544 -71.69624 1259.78081
835.0000 -77.24126 -72.15028 5.09098 2.67362 -72.24016 1139.35888
840.0000 -77.37816 -71.57203 5.80614 2.67093 -72.26832 1164.83223
845.0000 -78.13205 -73.99141 4.14064 2.54559 -73.58387 1093.35869
850.0000 -78.26353 -72.95636 5.30717 2.49721 -74.09156 1054.26545
855.0000 -78.04029 -72.58870 5.45159 2.62669 -72.73271 1111.87754
860.0000 -76.80464 -72.74791 4.05672 2.60632 -72.94649 1125.46383
865.0000 -77.94466 -73.86133 4.08333 2.64838 -72.50506 1157.08980
870.0000 -78.65118 -74.46742 4.18376 2.45441 -74.54079 928.94556
875.0000 -77.80461 -73.67719 4.12742 2.52439 -73.80626 1059.65068
880.0000 -79.03120 -73.04065 5.99055 2.53742 -73.66951 1083.26317
885.0000 -78.20374 -73.04662 5.15712 2.59203 -73.09642 1144.85979
890.0000 -78.83924 -74.00713 4.83211 2.55641 -73.47031 1060.82113
895.0000 -79.08424 -74.09679 4.98745 2.46145 -74.46684 971.11496
900.0000 -77.96386 -73.79433 4.16954 2.48440 -74.22599 996.70541
905.0000 -77.75937 -71.50289 6.25648 2.63344 -72.66185 1150.26360
910.0000 -76.42698 -71.23886 5.18811 2.77891 -71.13507 1254.42007
915.0000 -78.23927 -72.85242 5.38686 2.64866 -72.50204 1118.34093
920.0000 -78.12836 -73.32070 4.80766 2.57291 -73.29705 1113.75009
925.0000 -77.98122 -73.81152 4.16970 2.53474 -73.69765 1033.16333
930.0000 -77.79914 -73.46958 4.32955 2.59808 -73.03293 1119.34171
935.0000 -78.12774 -73.31601 4.81173 2.58122 -73.20984 1047.57454
940.0000 -76.12856 -70.45936 5.66920 2.66821 -72.29691 1181.01257
945.0000 -76.83860 -71.96102 4.87759 2.78745 -71.04551 1177.11542
950.0000 -76.88733 -71.53955 5.34778 2.74334 -71.50843 1204.35821
955.0000 -78.16746 -74.07528 4.09218 2.59623 -73.05238 1101.56163
960.0000 -77.84925 -73.08692 4.76233 2.58112 -73.21093 1087.87279
965.0000 -79.98943 -75.44311 4.54632 2.52712 -73.77769 1059.38925
970.0000 -77.42760 -73.18526 4.24234 2.54983 -73.53935 1051.93427
975.0000 -77.19099 -71.40115 5.78984 2.66719 -72.30759 1130.83977
980.0000 -77.70791 -72.83954 4.86836 2.74123 -71.53061 1209.18032
985.0000 -76.79938 -72.58066 4.21872 2.67312 -72.24535 1123.04705
990.0000 -76.36439 -71.33780 5.02659 2.71583 -71.79709 1127.64425
995.0000 -77.61222 -71.57611 6.03611 2.80536 -70.85749 1245.44451
1000.0000 -77.32123 -72.18487 5.13636 2.73115 -71.63636 1189.01609
FREEZING PROCESS: loop number 5 T-loop= 1132.0000000000000
main_MD> interactions number 5 at Temperature= 1132.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25091 -1.84763 0.01199
force_rgl> df(natom) -0.93330 -0.82307 -2.41759
1005.0000 -77.11286 -72.26229 4.85057 2.68147 -72.15770 1141.29663
1010.0000 -78.23520 -73.15106 5.08415 2.56436 -73.38683 1088.25995
1015.0000 -76.51710 -70.64960 5.86750 2.67746 -72.19988 1189.34476
1020.0000 -76.54357 -70.65160 5.89197 2.76446 -71.28674 1242.04393
1025.0000 -77.96152 -72.05704 5.90449 2.76729 -71.25701 1244.33018
1030.0000 -77.52843 -71.98719 5.54125 2.74855 -71.45373 1211.02858
1035.0000 -78.51507 -72.99418 5.52089 2.64567 -72.53343 1198.30549
1040.0000 -78.42683 -73.00581 5.42102 2.63467 -72.64894 1177.80672
1045.0000 -77.91329 -72.11052 5.80277 2.64647 -72.52509 1164.19011
1050.0000 -78.99002 -73.75931 5.23071 2.53979 -73.64471 1046.50082
1055.0000 -78.44482 -73.95199 4.49283 2.48440 -74.22606 1020.75485
1060.0000 -78.06256 -72.79465 5.26791 2.65136 -72.47370 1126.99193
1065.0000 -77.88235 -72.95658 4.92577 2.59229 -73.09372 1081.29036
1070.0000 -77.29565 -70.74861 6.54704 2.74521 -71.48883 1262.99800
1075.0000 -76.09916 -70.13990 5.95926 2.84726 -70.41773 1326.25598
1080.0000 -75.61265 -71.64830 3.96435 2.80219 -70.89079 1224.52285
1085.0000 -78.10306 -72.70971 5.39335 2.66367 -72.34454 1131.01803
1090.0000 -77.21125 -73.04138 4.16987 2.59268 -73.08961 1079.78992
1095.0000 -75.71496 -70.69192 5.02304 2.59864 -73.02707 1072.42316
1100.0000 -76.57513 -70.34631 6.22882 2.78977 -71.02113 1272.74871
1105.0000 -76.17751 -71.24043 4.93708 2.77937 -71.13025 1214.23369
1110.0000 -76.12510 -72.00073 4.12437 2.70918 -71.86696 1193.15045
1115.0000 -76.87026 -71.55762 5.31264 2.71286 -71.82828 1205.07799
1120.0000 -76.99111 -70.90732 6.08379 2.67282 -72.24852 1160.03106
1125.0000 -77.68111 -72.64158 5.03954 2.68479 -72.12288 1145.74855
1130.0000 -77.80100 -71.94832 5.85268 2.56497 -73.38047 1070.72334
1135.0000 -77.24720 -72.76144 4.48576 2.69311 -72.03557 1171.48810
1140.0000 -77.50954 -71.42170 6.08784 2.71621 -71.79318 1229.13674
1145.0000 -75.43787 -70.54854 4.88932 2.81204 -70.78739 1291.00923
1150.0000 -77.21161 -72.55488 4.65674 2.77082 -71.21998 1261.54470
1155.0000 -75.87186 -71.44317 4.42870 2.65064 -72.48129 1104.99259
1160.0000 -75.81233 -71.05742 4.75491 2.78618 -71.05877 1323.24823
1165.0000 -76.61332 -72.21255 4.40077 2.69516 -72.01409 1207.78448
1170.0000 -77.26813 -71.87056 5.39757 2.68419 -72.12915 1178.06609
1175.0000 -77.16805 -72.87722 4.29084 2.63513 -72.64404 1118.44644
1180.0000 -76.60784 -70.29171 6.31614 2.70922 -71.86651 1181.56820
1185.0000 -77.29870 -73.19615 4.10255 2.71731 -71.78160 1194.71986
1190.0000 -77.76241 -71.48399 6.27842 2.64879 -72.50077 1172.99207
1195.0000 -77.06218 -72.42949 4.63269 2.61679 -72.83658 1136.61612
1200.0000 -78.39002 -72.67622 5.71381 2.66661 -72.31365 1187.56849
1205.0000 -79.42646 -73.88022 5.54624 2.48379 -74.23243 1053.46501
1210.0000 -78.69454 -74.01657 4.67797 2.53056 -73.74160 982.85298
1215.0000 -78.39061 -73.20290 5.18770 2.54206 -73.62085 1012.05724
1220.0000 -78.93559 -74.84385 4.09175 2.49389 -74.12637 991.04059
1225.0000 -77.79900 -72.11725 5.68175 2.50245 -74.03662 1040.85347
1230.0000 -76.72177 -70.57799 6.14377 2.72075 -71.74550 1231.86511
1235.0000 -77.79772 -73.30270 4.49502 2.60096 -73.00272 1081.94984
1240.0000 -79.72737 -74.88921 4.83816 2.53836 -73.65967 1079.79053
1245.0000 -77.98316 -73.68492 4.29824 2.51146 -73.94200 1028.74466
1250.0000 -78.14448 -74.42839 3.71609 2.54884 -73.54969 1070.15358
FREEZING PROCESS: loop number 6 T-loop= 1107.0000000000000
main_MD> interactions number 6 at Temperature= 1107.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55803 -0.37448 -0.21623
force_rgl> df(natom) 0.51557 1.33412 0.22008
1255.0000 -77.72596 -73.31773 4.40823 2.47702 -74.30351 1023.37092
1260.0000 -78.74277 -74.34258 4.40019 2.43655 -74.72822 952.38340
1265.0000 -78.34748 -74.21925 4.12823 2.41236 -74.98209 927.10418
1270.0000 -80.20938 -74.88027 5.32912 2.51481 -73.90683 1023.81706
1275.0000 -78.64364 -73.09862 5.54502 2.52868 -73.76128 1047.18427
1280.0000 -77.66811 -73.36284 4.30527 2.62159 -72.78619 1186.79242
1285.0000 -77.33261 -72.64344 4.68917 2.58764 -73.14251 1064.77584
1290.0000 -77.50137 -73.00681 4.49455 2.56562 -73.37359 1051.80294
1295.0000 -78.45909 -72.88871 5.57038 2.59977 -73.01517 1079.93404
1300.0000 -76.68470 -71.07191 5.61279 2.74578 -71.48276 1240.11835
1305.0000 -77.98779 -72.16880 5.81899 2.74200 -71.52249 1264.56515
1310.0000 -77.23381 -72.85183 4.38197 2.62783 -72.72074 1152.20563
1315.0000 -76.12772 -72.14068 3.98704 2.62764 -72.72270 1072.42619
1320.0000 -76.26134 -72.23198 4.02936 2.68163 -72.15612 1154.21344
1325.0000 -77.58330 -72.56943 5.01387 2.73396 -71.60683 1186.40213
1330.0000 -76.53054 -71.49006 5.04048 2.66778 -72.30145 1192.86796
1335.0000 -78.95724 -73.67480 5.28244 2.58690 -73.15027 1120.64611
1340.0000 -77.40650 -72.16882 5.23767 2.64991 -72.48898 1178.65966
1345.0000 -77.89796 -71.35413 6.54383 2.64685 -72.52108 1202.66780
1350.0000 -76.58993 -71.85751 4.73241 2.70308 -71.93093 1217.07413
1355.0000 -77.22315 -71.04134 6.18182 2.74653 -71.47488 1258.85845
1360.0000 -79.11594 -73.77293 5.34301 2.69563 -72.00910 1157.38948
1365.0000 -78.54541 -74.62664 3.91876 2.51049 -73.95217 1005.29969
1370.0000 -79.63810 -74.17601 5.46209 2.50175 -74.04393 1003.48190
1375.0000 -77.56152 -72.97611 4.58542 2.57929 -73.23011 1045.36259
1380.0000 -78.11742 -72.63403 5.48339 2.62239 -72.77782 1139.28291
1385.0000 -77.11851 -72.36206 4.75645 2.62050 -72.79764 1100.24182
1390.0000 -77.85660 -72.70145 5.15515 2.72343 -71.71740 1174.91818
1395.0000 -79.54249 -74.73800 4.80449 2.60919 -72.91635 1093.34327
1400.0000 -78.22715 -74.36672 3.86043 2.42527 -74.84657 901.32127
1405.0000 -78.50198 -74.27642 4.22556 2.54819 -73.55658 1092.81528
1410.0000 -77.19882 -71.44606 5.75276 2.56952 -73.33263 1084.51336
1415.0000 -78.47081 -72.09202 6.37879 2.73065 -71.64162 1207.08707
1420.0000 -78.19637 -72.47677 5.71959 2.66576 -72.32265 1160.04324
1425.0000 -78.03517 -72.99481 5.04036 2.55294 -73.50670 1070.97017
1430.0000 -77.88822 -72.60569 5.28253 2.60610 -72.94872 1148.78086
1435.0000 -76.96094 -72.15912 4.80182 2.58077 -73.21456 1113.62046
1440.0000 -79.46163 -74.84452 4.61711 2.52162 -73.83537 1063.87999
1445.0000 -77.47495 -73.28395 4.19100 2.49931 -74.06951 1044.34944
1450.0000 -77.60964 -71.81574 5.79390 2.73164 -71.63121 1193.99073
1455.0000 -76.53185 -71.70602 4.82583 2.69761 -71.98838 1214.08605
1460.0000 -77.46221 -74.00509 3.45712 2.59316 -73.08458 1093.24828
1465.0000 -77.71448 -72.38632 5.32816 2.59554 -73.05957 1065.39588
1470.0000 -78.89934 -73.87881 5.02053 2.61149 -72.89216 1092.90240
1475.0000 -77.40678 -72.37509 5.03168 2.53887 -73.65438 995.91850
1480.0000 -78.74824 -73.63504 5.11320 2.53786 -73.66497 1072.42914
1485.0000 -77.63289 -73.33147 4.30142 2.54905 -73.54754 1047.88367
1490.0000 -78.66706 -74.23483 4.43223 2.51079 -73.94904 1055.88445
1495.0000 -78.37097 -74.30580 4.06517 2.53205 -73.72594 1024.02576
1500.0000 -76.98000 -71.91975 5.06025 2.64122 -72.58015 1143.17897
FREEZING PROCESS: loop number 7 T-loop= 1082.0000000000000
main_MD> interactions number 7 at Temperature= 1082.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.06697 -2.54820 -2.21631
force_rgl> df(natom) 0.41280 2.38629 -0.38351
1505.0000 -78.24453 -73.94844 4.29609 2.61586 -72.84632 1108.12429
1510.0000 -78.31315 -73.39298 4.92016 2.53058 -73.74140 1060.13611
1515.0000 -78.39075 -74.36259 4.02816 2.55266 -73.50961 1068.30759
1520.0000 -78.11099 -73.43534 4.67565 2.49835 -74.07959 1022.92587
1525.0000 -78.67018 -74.36839 4.30180 2.47808 -74.29229 1033.24323
1530.0000 -78.46866 -73.12132 5.34734 2.49491 -74.11568 1013.14431
1535.0000 -77.41931 -72.52950 4.88981 2.56884 -73.33976 1042.62755
1540.0000 -78.44825 -72.38478 6.06347 2.60253 -72.98627 1131.49778
1545.0000 -76.35846 -71.02192 5.33654 2.69553 -72.01014 1173.70603
1550.0000 -77.48347 -70.89879 6.58468 2.76987 -71.23003 1243.26141
1555.0000 -75.83265 -69.97117 5.86148 2.83224 -70.57540 1323.95140
1560.0000 -77.54477 -71.98088 5.56389 2.81403 -70.76656 1291.49772
1565.0000 -77.98497 -73.32919 4.65578 2.58646 -73.15487 1104.52284
1570.0000 -78.07028 -74.07467 3.99561 2.51807 -73.87260 1072.07147
1575.0000 -78.72939 -74.26489 4.46449 2.48398 -74.23046 1005.81110
1580.0000 -78.52937 -73.90073 4.62863 2.48376 -74.23271 1027.48583
1585.0000 -77.62206 -71.78214 5.83992 2.62063 -72.79623 1145.80058
1590.0000 -78.66055 -73.68267 4.97788 2.66552 -72.32513 1129.90686
1595.0000 -77.58777 -72.97441 4.61337 2.56606 -73.36901 1042.13623
1600.0000 -77.54005 -73.02159 4.51845 2.58157 -73.20620 1096.52436
1605.0000 -77.90697 -72.94279 4.96418 2.63474 -72.64815 1122.46739
1610.0000 -78.86777 -72.43121 6.43655 2.66249 -72.35697 1109.37202
1615.0000 -78.53255 -74.70191 3.83065 2.59990 -73.01385 1082.70279
1620.0000 -79.66393 -75.33151 4.33242 2.41178 -74.98813 951.82088
1625.0000 -79.69956 -74.47901 5.22055 2.43153 -74.78087 959.54830
1630.0000 -77.91349 -71.80326 6.11024 2.60545 -72.95553 1090.95621
1635.0000 -79.17974 -73.42232 5.75742 2.58334 -73.18761 1102.08350
1640.0000 -76.92626 -71.33407 5.59219 2.67483 -72.22743 1143.40862
1645.0000 -78.53427 -72.31372 6.22055 2.63340 -72.66226 1077.65776
1650.0000 -78.12676 -72.84674 5.28002 2.65562 -72.42907 1166.67720
1655.0000 -77.71863 -73.01416 4.70447 2.58949 -73.12310 1120.50014
1660.0000 -78.21619 -73.58200 4.63419 2.60604 -72.94940 1131.95131
1665.0000 -77.17749 -72.99456 4.18293 2.54119 -73.62998 1014.17081
1670.0000 -78.72352 -74.60821 4.11531 2.58984 -73.11937 1083.96802
1675.0000 -78.97527 -73.77354 5.20173 2.52392 -73.81121 1010.23303
1680.0000 -78.47688 -72.91311 5.56377 2.51089 -73.94801 1040.89090
1685.0000 -78.38240 -73.48996 4.89244 2.58904 -73.12783 1110.38018
1690.0000 -79.39744 -73.77995 5.61749 2.46233 -74.45761 977.58522
1695.0000 -76.27530 -71.98172 4.29358 2.63753 -72.61892 1078.35152
1700.0000 -77.18257 -71.75116 5.43140 2.63843 -72.60943 1224.84016
1705.0000 -78.16818 -72.02762 6.14056 2.71807 -71.77363 1203.73004
1710.0000 -77.89380 -72.86763 5.02617 2.61361 -72.86992 1121.94452
1715.0000 -76.36462 -72.60985 3.75477 2.62996 -72.69840 1141.08798
1720.0000 -78.15016 -71.88010 6.27006 2.64928 -72.49562 1142.53080
1725.0000 -77.59302 -71.78455 5.80847 2.71485 -71.80737 1183.77469
1730.0000 -77.59975 -71.84168 5.75807 2.68509 -72.11972 1188.71365
1735.0000 -78.28243 -72.97402 5.30841 2.56543 -73.37564 1080.69645
1740.0000 -76.76413 -71.66842 5.09571 2.65154 -72.47186 1170.70456
1745.0000 -77.15683 -71.14537 6.01146 2.78841 -71.03536 1288.11481
1750.0000 -79.50875 -74.83260 4.67615 2.64084 -72.58419 1210.14469
FREEZING PROCESS: loop number 8 T-loop= 1057.0000000000000
main_MD> interactions number 8 at Temperature= 1057.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.01211 -1.56535 1.58534
force_rgl> df(natom) 2.83056 -0.72011 1.02414
1755.0000 -79.64444 -75.92193 3.72251 2.34604 -75.67807 880.89070
1760.0000 -78.10410 -72.21347 5.89063 2.55567 -73.47803 1040.18963
1765.0000 -78.71174 -72.76131 5.95042 2.63468 -72.64879 1138.14444
1770.0000 -77.63573 -73.64613 3.98960 2.56309 -73.40014 1051.53172
1775.0000 -78.32962 -73.80076 4.52886 2.54587 -73.58086 1055.42094
1780.0000 -78.20169 -73.50313 4.69856 2.47703 -74.30339 1001.30611
1785.0000 -77.13959 -72.25067 4.88892 2.61631 -72.84157 1102.23487
1790.0000 -77.85813 -72.66900 5.18913 2.62671 -72.73248 1153.19598
1795.0000 -77.90956 -71.96643 5.94313 2.66047 -72.37816 1132.63931
1800.0000 -78.79626 -74.37698 4.41928 2.55047 -73.53256 1013.36360
1805.0000 -79.60163 -75.65869 3.94295 2.48963 -74.17114 990.39517
1810.0000 -78.97177 -74.81623 4.15554 2.41243 -74.98137 1013.26074
1815.0000 -78.36578 -73.49760 4.86818 2.52299 -73.82100 1025.81070
1820.0000 -78.71849 -72.76199 5.95650 2.62189 -72.78305 1093.75444
1825.0000 -78.18959 -73.30248 4.88711 2.69087 -72.05913 1170.39270
1830.0000 -79.07352 -73.45903 5.61449 2.56052 -73.42711 1097.57465
1835.0000 -78.36918 -73.57277 4.79642 2.52923 -73.75550 1044.72457
1840.0000 -77.50401 -73.36799 4.13602 2.49149 -74.15155 998.64027
1845.0000 -78.87577 -74.05104 4.82474 2.50301 -74.03073 1033.38921
1850.0000 -78.93676 -74.36023 4.57652 2.46163 -74.46503 976.66401
1855.0000 -77.35783 -73.08594 4.27190 2.55833 -73.45012 1074.33498
1860.0000 -79.73607 -75.01402 4.72204 2.49926 -74.07002 1022.01991
1865.0000 -78.54223 -73.72028 4.82195 2.46406 -74.43947 989.48212
1870.0000 -79.64911 -74.98062 4.66849 2.45648 -74.51904 1067.38413
1875.0000 -79.26288 -75.54821 3.71467 2.37606 -75.36310 895.80356
1880.0000 -77.54346 -72.23398 5.30948 2.51517 -73.90308 1062.98382
1885.0000 -76.61009 -72.84203 3.76806 2.60466 -72.96385 1114.82867
1890.0000 -79.76133 -73.88032 5.88101 2.55658 -73.46845 1066.27499
1895.0000 -77.42318 -72.37681 5.04637 2.59935 -73.01962 1093.98177
1900.0000 -78.74340 -73.57619 5.16721 2.60575 -72.95241 1172.55319
1905.0000 -77.31467 -72.89078 4.42389 2.55744 -73.45948 1048.36438
1910.0000 -78.88297 -74.10540 4.77757 2.55167 -73.51999 1055.37728
1915.0000 -78.18246 -75.52261 2.65985 2.44267 -74.66401 998.71836
1920.0000 -78.40675 -72.78594 5.62080 2.50807 -73.97764 1015.06389
1925.0000 -77.97076 -73.68115 4.28961 2.56031 -73.42937 1028.51077
1930.0000 -77.43405 -73.05464 4.37941 2.55362 -73.49951 1058.83003
1935.0000 -76.91942 -72.74082 4.17860 2.64604 -72.52962 1136.78698
1940.0000 -78.34740 -74.71365 3.63374 2.57681 -73.25611 1055.04352
1945.0000 -77.59436 -72.51112 5.08324 2.61699 -72.83450 1172.69094
1950.0000 -77.77693 -72.43571 5.34122 2.65719 -72.41255 1137.24468
1955.0000 -75.99923 -70.71923 5.28000 2.73852 -71.55899 1217.77373
1960.0000 -77.45856 -71.04392 6.41464 2.82156 -70.68751 1260.01624
1965.0000 -77.81858 -72.97193 4.84665 2.68744 -72.09508 1157.63701
1970.0000 -78.71934 -74.10635 4.61299 2.56587 -73.37098 1066.67326
1975.0000 -77.42158 -71.84875 5.57283 2.60526 -72.95758 1138.62326
1980.0000 -76.69190 -71.41953 5.27238 2.79744 -70.94060 1302.53425
1985.0000 -77.30149 -72.06748 5.23402 2.62010 -72.80184 1122.35105
1990.0000 -77.95924 -73.40227 4.55698 2.63543 -72.64098 1122.41635
1995.0000 -77.57755 -72.11765 5.45990 2.62526 -72.74765 1121.83277
2000.0000 -77.51257 -71.73812 5.77445 2.72939 -71.65484 1185.73575
FREEZING PROCESS: loop number 9 T-loop= 1032.0000000000000
main_MD> interactions number 9 at Temperature= 1032.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57480 1.73404 -3.63047
force_rgl> df(natom) -1.14731 -0.20545 0.51526
2005.0000 -78.82692 -75.22760 3.59932 2.51918 -73.86098 1022.89400
2010.0000 -79.17218 -75.17084 4.00134 2.39502 -75.16409 926.82701
2015.0000 -79.56025 -75.76088 3.79937 2.33114 -75.83453 889.58475
2020.0000 -78.39565 -74.52145 3.87420 2.38039 -75.31766 900.36685
2025.0000 -78.17370 -74.33042 3.84328 2.47063 -74.37053 996.99652
2030.0000 -77.89746 -72.94845 4.94901 2.50241 -74.03704 1018.78626
2035.0000 -79.31554 -74.44026 4.87529 2.53904 -73.65252 1084.01209
2040.0000 -78.28612 -74.15028 4.13584 2.49467 -74.11823 1022.19671
2045.0000 -78.53410 -74.19717 4.33693 2.52140 -73.83770 1025.13343
2050.0000 -77.61566 -73.28522 4.33044 2.55105 -73.52649 1006.70162
2055.0000 -77.64048 -73.19419 4.44629 2.50280 -74.03295 1019.58384
2060.0000 -78.89333 -73.52885 5.36447 2.46388 -74.44137 1022.60764
2065.0000 -77.49065 -72.42398 5.06667 2.58860 -73.13247 1101.09770
2070.0000 -78.64591 -73.61953 5.02638 2.64004 -72.59257 1116.32415
2075.0000 -77.73081 -74.04455 3.68626 2.54800 -73.55858 1110.75678
2080.0000 -76.73083 -73.12548 3.60535 2.54049 -73.63737 1082.80140
2085.0000 -79.04542 -74.30529 4.74013 2.53763 -73.66732 1046.23199
2090.0000 -78.04375 -72.80324 5.24051 2.53507 -73.69427 1036.83936
2095.0000 -78.70717 -73.61602 5.09115 2.64774 -72.51176 1110.03704
2100.0000 -79.06810 -74.47370 4.59440 2.49986 -74.06373 979.78137
2105.0000 -78.15949 -73.23582 4.92366 2.51643 -73.88983 1055.35680
2110.0000 -77.38582 -72.63861 4.74721 2.58102 -73.21200 1103.04102
2115.0000 -77.41708 -72.64355 4.77354 2.60021 -73.01059 1051.56795
2120.0000 -77.14208 -72.51871 4.62337 2.63585 -72.63653 1156.65447
2125.0000 -77.25040 -72.44171 4.80869 2.63426 -72.65319 1103.90523
2130.0000 -79.78833 -74.10408 5.68425 2.52950 -73.75269 1018.51891
2135.0000 -78.34294 -73.38430 4.95864 2.63549 -72.64026 1122.56865
2140.0000 -79.39659 -74.32372 5.07288 2.53959 -73.64674 1085.96145
2145.0000 -79.00653 -74.29513 4.71140 2.51079 -73.94906 1011.81212
2150.0000 -79.88942 -75.42679 4.46263 2.47187 -74.35755 1010.51016
2155.0000 -78.17742 -73.87778 4.29964 2.42234 -74.87730 938.60181
2160.0000 -78.40756 -74.36363 4.04394 2.46376 -74.44260 1019.11970
2165.0000 -78.62150 -74.04086 4.58064 2.48373 -74.23309 1025.70790
2170.0000 -78.43623 -74.67816 3.75806 2.54123 -73.62962 1055.27350
2175.0000 -79.41466 -74.22617 5.18849 2.48327 -74.23791 1011.77549
2180.0000 -77.98983 -73.81611 4.17372 2.43320 -74.76338 956.51550
2185.0000 -77.35586 -73.00371 4.35216 2.55174 -73.51929 1074.64302
2190.0000 -77.42528 -72.50052 4.92476 2.60678 -72.94158 1106.92270
2195.0000 -77.72606 -72.81783 4.90823 2.68590 -72.11122 1171.99545
2200.0000 -80.33126 -75.45673 4.87453 2.47631 -74.31094 987.62606
2205.0000 -78.04830 -73.60976 4.43854 2.43716 -74.72185 973.75511
2210.0000 -78.78533 -73.12575 5.65958 2.54257 -73.61555 1047.17107
2215.0000 -79.08255 -75.06250 4.02005 2.44767 -74.61148 928.13156
2220.0000 -77.63978 -72.55716 5.08262 2.46024 -74.47953 966.95832
2225.0000 -78.15561 -73.90560 4.25001 2.57507 -73.27437 1129.60507
2230.0000 -79.50163 -76.34578 3.15586 2.45154 -74.57086 956.14170
2235.0000 -79.65842 -75.71246 3.94596 2.33291 -75.81590 859.23865
2240.0000 -77.99325 -73.47229 4.52096 2.45790 -74.50413 974.89076
2245.0000 -78.28452 -73.34697 4.93755 2.51590 -73.89539 1050.76273
2250.0000 -79.00970 -74.78373 4.22597 2.52445 -73.80573 1001.06127
FREEZING PROCESS: loop number 10 T-loop= 1007.0000000000000
main_MD> interactions number 10 at Temperature= 1007.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60509 -0.55706 -1.87799
force_rgl> df(natom) 2.44877 -1.32480 1.93474
2255.0000 -77.35864 -72.77615 4.58250 2.57914 -73.23170 1074.30387
2260.0000 -77.87587 -73.50928 4.36659 2.53089 -73.73811 1040.57443
2265.0000 -78.16849 -72.38447 5.78402 2.64287 -72.56288 1153.24279
2270.0000 -77.49478 -74.25296 3.24182 2.56372 -73.39353 1051.33812
2275.0000 -77.88845 -73.42446 4.46398 2.51416 -73.91364 1026.59230
2280.0000 -79.31779 -73.82139 5.49641 2.57084 -73.31882 1003.55877
2285.0000 -78.67432 -74.31957 4.35475 2.45189 -74.56715 962.77188
2290.0000 -77.68306 -72.48574 5.19731 2.54395 -73.60107 1047.30389
2295.0000 -79.74201 -75.27533 4.46667 2.56516 -73.37845 1057.52328
2300.0000 -79.21050 -74.78725 4.42325 2.38036 -75.31795 943.43433
2305.0000 -79.03913 -75.31829 3.72084 2.41578 -74.94617 924.92816
2310.0000 -77.88376 -74.10713 3.77663 2.48933 -74.17431 982.36800
2315.0000 -78.52401 -73.19666 5.32735 2.52857 -73.76246 1068.89971
2320.0000 -76.65061 -72.94171 3.70890 2.66036 -72.37930 1115.08382
2325.0000 -78.11464 -73.75238 4.36226 2.54129 -73.62893 996.25930
2330.0000 -79.93366 -75.40378 4.52989 2.45228 -74.56315 964.85390
2335.0000 -78.81043 -75.14605 3.66438 2.40117 -75.09955 957.40159
2340.0000 -78.54720 -74.22885 4.31835 2.48995 -74.16779 961.13820
2345.0000 -78.53111 -74.43850 4.09261 2.47476 -74.32718 938.25530
2350.0000 -79.99202 -75.78225 4.20977 2.39497 -75.16460 888.31999
2355.0000 -78.97692 -74.39564 4.58128 2.40626 -75.04611 978.60698
2360.0000 -79.13539 -74.76824 4.36714 2.49414 -74.12384 966.48466
2365.0000 -78.97737 -73.68726 5.29012 2.47888 -74.28399 1003.05966
2370.0000 -79.45615 -75.93801 3.51813 2.41492 -74.95525 997.65388
2375.0000 -79.58004 -75.07153 4.50851 2.37509 -75.37323 866.64695
2380.0000 -78.52055 -74.89537 3.62517 2.37287 -75.39656 881.94424
2385.0000 -80.73977 -77.59367 3.14609 2.27718 -76.40078 831.67060
2390.0000 -78.79901 -75.55294 3.24607 2.30988 -76.05758 827.85965
2395.0000 -78.72950 -75.00059 3.72891 2.37552 -75.36873 885.87638
2400.0000 -79.08198 -74.59929 4.48270 2.35023 -75.63417 900.07687
2405.0000 -78.47043 -74.42793 4.04250 2.48376 -74.23276 985.19312
2410.0000 -77.32671 -73.27879 4.04792 2.45755 -74.50782 960.20131
2415.0000 -78.54777 -72.77165 5.77612 2.53249 -73.72128 1093.44177
2420.0000 -77.65768 -73.65902 3.99866 2.58094 -73.21282 1055.49347
2425.0000 -77.76552 -74.19829 3.56724 2.52959 -73.75173 1023.56218
2430.0000 -79.29168 -74.88875 4.40294 2.47729 -74.30061 974.29467
2435.0000 -77.98040 -74.42576 3.55465 2.45660 -74.51774 958.96390
2440.0000 -77.81803 -72.90387 4.91416 2.54636 -73.57571 1019.92813
2445.0000 -78.16506 -72.15911 6.00595 2.60549 -72.95513 1100.96884
2450.0000 -77.82042 -73.07640 4.74402 2.65506 -72.43492 1166.30846
2455.0000 -77.93171 -73.10293 4.82878 2.68037 -72.16925 1196.34366
2460.0000 -79.50870 -74.67287 4.83583 2.48831 -74.18494 1019.57976
2465.0000 -79.81523 -76.23982 3.57541 2.36687 -75.45955 890.07214
2470.0000 -79.27782 -75.56807 3.70975 2.35647 -75.56866 869.26664
2475.0000 -79.07187 -74.88559 4.18629 2.36575 -75.47126 915.05891
2480.0000 -79.86139 -76.52129 3.34010 2.37394 -75.38533 925.51869
2485.0000 -79.57055 -75.29909 4.27147 2.40292 -75.08116 979.98467
2490.0000 -80.14106 -76.17106 3.97000 2.35967 -75.53508 926.16501
2495.0000 -79.40100 -75.19595 4.20505 2.32849 -75.86233 904.57448
2500.0000 -79.88606 -76.15148 3.73459 2.35915 -75.54053 860.28662
FREEZING PROCESS: loop number 11 T-loop= 982.00000000000000
main_MD> interactions number 11 at Temperature= 982.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75246 0.40752 3.32478
force_rgl> df(natom) 3.82833 -0.86878 2.59223
2505.0000 -79.90217 -75.48324 4.41893 2.37652 -75.35824 917.31328
2510.0000 -78.80214 -74.48642 4.31572 2.48377 -74.23258 995.94653
2515.0000 -79.38373 -75.22921 4.15452 2.44616 -74.62732 966.13577
2520.0000 -79.27868 -75.16229 4.11640 2.38858 -75.23163 961.64186
2525.0000 -79.05301 -75.69440 3.35861 2.34482 -75.69090 887.87910
2530.0000 -80.24389 -75.46649 4.77739 2.36259 -75.50441 893.44974
2535.0000 -77.16220 -73.45618 3.70602 2.44365 -74.65368 962.04013
2540.0000 -77.93381 -73.09993 4.83388 2.51680 -73.88595 967.35168
2545.0000 -77.61371 -72.84720 4.76650 2.63483 -72.64721 1118.60338
2550.0000 -78.48368 -73.10127 5.38241 2.66140 -72.36835 1137.49214
2555.0000 -79.30218 -75.47136 3.83082 2.43301 -74.76533 924.57176
2560.0000 -79.53996 -76.73513 2.80483 2.32115 -75.93929 858.70706
2565.0000 -80.35324 -75.74522 4.60802 2.31384 -76.01605 871.96569
2570.0000 -79.74306 -76.10525 3.63780 2.28344 -76.33506 853.02661
2575.0000 -77.88811 -73.43793 4.45019 2.39477 -75.16667 881.44598
2580.0000 -78.65527 -74.20657 4.44870 2.53642 -73.68006 1041.43006
2585.0000 -78.63165 -74.24719 4.38445 2.47272 -74.34860 979.26771
2590.0000 -78.81811 -74.06142 4.75669 2.47876 -74.28524 1010.88618
2595.0000 -78.69399 -73.37521 5.31879 2.55900 -73.44312 1069.73009
2600.0000 -78.13348 -74.72242 3.41106 2.44491 -74.64044 990.25406
2605.0000 -78.66455 -74.65377 4.01078 2.47182 -74.35803 1002.53678
2610.0000 -77.38321 -73.26528 4.11793 2.55745 -73.45934 1078.07134
2615.0000 -78.83650 -74.34996 4.48654 2.46241 -74.45681 958.21318
2620.0000 -79.33763 -74.55504 4.78259 2.41717 -74.93156 917.75862
2625.0000 -79.23449 -73.59470 5.63979 2.45277 -74.55793 1058.70473
2630.0000 -77.52131 -73.66518 3.85613 2.60558 -72.95422 1117.65366
2635.0000 -79.39178 -73.99561 5.39616 2.53429 -73.70238 1074.71434
2640.0000 -80.57656 -75.57030 5.00626 2.44801 -74.60796 996.95270
2645.0000 -78.64508 -74.52928 4.11581 2.42145 -74.88671 986.53474
2650.0000 -78.97974 -74.21990 4.75984 2.50117 -74.05004 1025.20099
2655.0000 -79.44285 -76.08579 3.35705 2.36444 -75.48500 892.79762
2660.0000 -77.45387 -73.34919 4.10468 2.41445 -74.96015 947.69024
2665.0000 -77.83342 -73.11801 4.71541 2.61742 -72.83000 1130.84240
2670.0000 -78.70596 -73.57508 5.13089 2.54092 -73.63283 1074.36056
2675.0000 -78.77424 -74.32111 4.45313 2.54388 -73.60178 1082.83809
2680.0000 -79.86222 -75.30529 4.55693 2.41793 -74.92362 925.62791
2685.0000 -79.52815 -75.53099 3.99716 2.35683 -75.56492 884.54951
2690.0000 -78.98085 -75.37041 3.61044 2.43117 -74.78469 951.74934
2695.0000 -78.29874 -73.96754 4.33120 2.48106 -74.26107 1043.52747
2700.0000 -78.72284 -74.01473 4.70811 2.46981 -74.37912 965.75659
2705.0000 -78.16155 -73.94338 4.21817 2.47076 -74.36913 1020.70691
2710.0000 -78.00282 -73.41041 4.59241 2.57310 -73.29511 1047.08006
2715.0000 -79.80426 -75.56285 4.24141 2.42861 -74.81156 946.80512
2720.0000 -78.53232 -75.12731 3.40501 2.39438 -75.17074 929.17903
2725.0000 -78.42101 -74.10800 4.31301 2.45915 -74.49104 977.89839
2730.0000 -78.69891 -74.67340 4.02550 2.41086 -74.99779 928.87079
2735.0000 -78.46809 -74.46403 4.00406 2.41773 -74.92567 950.46590
2740.0000 -79.13206 -74.05721 5.07485 2.48802 -74.18799 991.99539
2745.0000 -77.52732 -73.32875 4.19857 2.46934 -74.38409 959.88322
2750.0000 -78.76564 -75.43546 3.33019 2.41730 -74.93027 933.15280
FREEZING PROCESS: loop number 12 T-loop= 957.00000000000000
main_MD> interactions number 12 at Temperature= 957.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.23520 -0.59720 -1.49700
force_rgl> df(natom) 0.68448 2.71997 1.27103
2755.0000 -78.59818 -73.87151 4.72667 2.44700 -74.61854 966.87967
2760.0000 -77.10869 -73.13803 3.97066 2.51140 -73.94260 1045.67152
2765.0000 -79.53630 -75.03348 4.50282 2.50308 -74.02997 1020.63516
2770.0000 -79.36164 -75.32338 4.03826 2.39709 -75.14237 899.69329
2775.0000 -77.15959 -73.25358 3.90601 2.51767 -73.87685 1006.77527
2780.0000 -79.81400 -75.86337 3.95063 2.39433 -75.17134 926.97872
2785.0000 -80.09000 -75.52443 4.56556 2.35130 -75.62294 887.96389
2790.0000 -79.05050 -74.68584 4.36467 2.28526 -76.31598 848.39886
2795.0000 -79.05223 -74.49821 4.55402 2.44897 -74.59781 985.89463
2800.0000 -77.36453 -72.85689 4.50764 2.53002 -73.74723 1055.59165
2805.0000 -76.97645 -72.75985 4.21660 2.62293 -72.77217 1127.46519
2810.0000 -78.28518 -73.53314 4.75203 2.54196 -73.62194 1033.52536
2815.0000 -79.66762 -75.92720 3.74042 2.44029 -74.68891 977.18046
2820.0000 -78.37487 -74.25298 4.12189 2.39968 -75.11512 951.95199
2825.0000 -77.81435 -74.13485 3.67950 2.47332 -74.34233 1003.70521
2830.0000 -77.85041 -73.86598 3.98443 2.54423 -73.59812 1068.60064
2835.0000 -79.05026 -74.48291 4.56735 2.42786 -74.81941 937.84545
2840.0000 -78.05614 -72.93737 5.11877 2.53458 -73.69937 1070.22557
2845.0000 -78.90128 -74.05265 4.84864 2.49420 -74.12319 1047.02042
2850.0000 -77.91554 -74.80511 3.11043 2.48965 -74.17094 1002.48329
2855.0000 -78.97824 -75.11266 3.86559 2.44855 -74.60226 951.78836
2860.0000 -78.69718 -73.80931 4.88788 2.47656 -74.30832 981.63657
2865.0000 -79.26886 -74.98992 4.27894 2.42863 -74.81130 997.80382
2870.0000 -79.31550 -74.78241 4.53309 2.49734 -74.09017 991.93726
2875.0000 -79.30896 -75.45156 3.85740 2.40175 -75.09339 961.96837
2880.0000 -77.57007 -74.27952 3.29055 2.44460 -74.64368 937.77802
2885.0000 -79.96541 -75.50439 4.46102 2.41118 -74.99444 926.65176
2890.0000 -79.14536 -74.83568 4.30968 2.39868 -75.12569 926.09530
2895.0000 -80.40004 -77.24925 3.15079 2.39490 -75.16529 972.69438
2900.0000 -80.49890 -76.47270 4.02620 2.26738 -76.50369 829.42852
2905.0000 -80.33692 -76.41486 3.92206 2.35172 -75.61845 897.37443
2910.0000 -79.12727 -74.66383 4.46344 2.39938 -75.11834 938.78534
2915.0000 -78.10588 -74.85355 3.25232 2.43028 -74.79403 948.58675
2920.0000 -79.06128 -74.77497 4.28630 2.37732 -75.34985 875.50229
2925.0000 -79.37337 -76.13100 3.24237 2.38695 -75.24879 912.20518
2930.0000 -78.87515 -74.28349 4.59166 2.43482 -74.74638 932.63766
2935.0000 -79.43583 -74.93465 4.50118 2.47446 -74.33034 961.44393
2940.0000 -79.16267 -74.68809 4.47458 2.38118 -75.30936 936.96628
2945.0000 -79.46193 -75.88669 3.57524 2.39787 -75.13419 926.14371
2950.0000 -80.18384 -75.53982 4.64402 2.32114 -75.93949 839.09299
2955.0000 -79.62389 -76.15354 3.47035 2.40431 -75.06660 976.87374
2960.0000 -79.42921 -75.71887 3.71034 2.33562 -75.78742 860.27550
2965.0000 -80.19284 -76.08649 4.10634 2.34943 -75.64249 889.56956
2970.0000 -80.07619 -76.18513 3.89105 2.32125 -75.93831 893.20106
2975.0000 -78.46409 -73.67715 4.78694 2.44036 -74.68820 993.78891
2980.0000 -78.64182 -74.95431 3.68751 2.51222 -73.93402 1006.53990
2985.0000 -79.43779 -74.91166 4.52612 2.39630 -75.15064 924.16048
2990.0000 -78.91453 -74.88509 4.02944 2.45689 -74.51478 991.82757
2995.0000 -79.06230 -74.18597 4.87633 2.49922 -74.07049 1041.89661
3000.0000 -79.48675 -74.89325 4.59350 2.41173 -74.98872 936.32410
FREEZING PROCESS: loop number 13 T-loop= 932.00000000000000
main_MD> interactions number 13 at Temperature= 932.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54395 -1.64997 1.78776
force_rgl> df(natom) -1.72270 0.27043 1.03645
3005.0000 -78.46325 -74.27596 4.18729 2.45680 -74.51566 976.57705
3010.0000 -79.26019 -75.68103 3.57916 2.44993 -74.58773 930.28919
3015.0000 -80.37769 -75.38954 4.98815 2.38076 -75.31372 913.84885
3020.0000 -78.67444 -74.65578 4.01866 2.41237 -74.98202 947.60360
3025.0000 -78.33631 -74.20720 4.12911 2.43951 -74.69715 955.27342
3030.0000 -79.43565 -74.98642 4.44923 2.47428 -74.33227 974.28072
3035.0000 -79.91659 -76.21085 3.70574 2.37246 -75.40083 876.53605
3040.0000 -78.72138 -76.17459 2.54679 2.25770 -76.60528 765.03168
3045.0000 -79.47804 -76.29563 3.18241 2.31053 -76.05076 810.62746
3050.0000 -77.52133 -73.89116 3.63017 2.37223 -75.40324 885.23920
3055.0000 -79.02702 -74.70642 4.32060 2.43661 -74.72758 978.90272
3060.0000 -80.01540 -74.50761 5.50778 2.42399 -74.85997 947.74983
3065.0000 -79.08371 -74.12023 4.96348 2.50091 -74.05269 1025.99103
3070.0000 -77.66522 -74.10276 3.56246 2.46440 -74.43595 971.91809
3075.0000 -80.43036 -75.92951 4.50085 2.41620 -74.94176 883.28180
3080.0000 -80.06501 -75.90190 4.16311 2.34241 -75.71617 892.25001
3085.0000 -77.95613 -73.53984 4.41629 2.44554 -74.63388 989.78361
3090.0000 -78.17397 -73.10250 5.07146 2.55073 -73.52984 1091.34064
3095.0000 -78.90951 -73.79680 5.11271 2.56994 -73.32822 1116.34898
3100.0000 -77.74292 -74.00470 3.73822 2.51252 -73.93093 993.12486
3105.0000 -79.41912 -75.05665 4.36247 2.40408 -75.06896 970.24164
3110.0000 -80.02017 -75.73978 4.28038 2.33255 -75.81965 874.76894
3115.0000 -79.33107 -75.63877 3.69230 2.34982 -75.63847 916.90905
3120.0000 -79.71525 -76.49109 3.22416 2.30482 -76.11076 857.03239
3125.0000 -80.05186 -76.12513 3.92673 2.29727 -76.18993 836.73239
3130.0000 -78.27772 -74.73577 3.54195 2.34373 -75.70232 850.45109
3135.0000 -79.59619 -75.31786 4.27833 2.37269 -75.39840 898.31750
3140.0000 -78.76918 -75.42659 3.34258 2.33934 -75.74841 890.90020
3145.0000 -78.89036 -75.58665 3.30371 2.33339 -75.81083 847.26300
3150.0000 -78.31754 -74.68212 3.63542 2.43517 -74.74267 988.43435
3155.0000 -78.08015 -73.70763 4.37252 2.46508 -74.42878 986.93954
3160.0000 -79.47214 -74.88058 4.59157 2.51657 -73.88834 1025.92561
3165.0000 -78.05404 -74.06254 3.99150 2.48999 -74.16735 1017.01997
3170.0000 -78.64553 -74.96735 3.67818 2.41352 -74.96994 905.28623
3175.0000 -79.97551 -76.29914 3.67637 2.34923 -75.64468 854.78005
3180.0000 -79.22765 -75.01362 4.21404 2.30344 -76.12524 843.93913
3185.0000 -78.56860 -74.81887 3.74973 2.38616 -75.25705 920.90241
3190.0000 -78.53996 -73.84701 4.69295 2.47229 -74.35306 952.13995
3195.0000 -78.81286 -74.83221 3.98065 2.43473 -74.74728 924.07509
3200.0000 -79.32176 -75.19101 4.13075 2.41923 -74.90999 978.87697
3205.0000 -79.61657 -76.28301 3.33355 2.33536 -75.79020 909.07260
3210.0000 -79.61204 -76.31607 3.29597 2.23399 -76.85407 793.23985
3215.0000 -79.81868 -75.03606 4.78262 2.35988 -75.53285 911.95831
3220.0000 -79.02222 -74.92350 4.09872 2.44801 -74.60789 1000.29114
3225.0000 -78.00186 -73.52877 4.47309 2.49164 -74.15008 1031.48513
3230.0000 -79.99523 -74.98793 5.00730 2.49565 -74.10794 960.25889
3235.0000 -79.32543 -74.84261 4.48282 2.43029 -74.79388 936.41011
3240.0000 -79.35310 -75.53072 3.82238 2.38858 -75.23161 894.98469
3245.0000 -80.40142 -76.79383 3.60759 2.29837 -76.17837 805.15712
3250.0000 -79.84174 -75.33235 4.50939 2.31338 -76.02087 832.66692
FREEZING PROCESS: loop number 14 T-loop= 907.00000000000000
main_MD> interactions number 14 at Temperature= 907.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78952 -2.15750 0.13314
force_rgl> df(natom) 0.41558 0.01741 1.56005
3255.0000 -78.92868 -74.15962 4.76905 2.42992 -74.79779 970.32492
3260.0000 -79.19783 -75.56372 3.63412 2.41260 -74.97957 967.41036
3265.0000 -79.58541 -76.34887 3.23654 2.29703 -76.19250 833.17896
3270.0000 -80.49308 -76.70189 3.79119 2.28779 -76.28947 856.17404
3275.0000 -80.28009 -75.84176 4.43833 2.32544 -75.89429 875.17816
3280.0000 -79.00777 -75.52608 3.48168 2.34353 -75.70445 872.39125
3285.0000 -77.63875 -74.35019 3.28856 2.42354 -74.86479 914.02508
3290.0000 -79.15253 -74.64299 4.50954 2.39080 -75.20833 965.95184
3295.0000 -78.49113 -74.71130 3.77983 2.49322 -74.13349 998.93718
3300.0000 -79.88260 -75.50969 4.37291 2.41842 -74.91849 968.51032
3305.0000 -79.57273 -75.35376 4.21897 2.36458 -75.48356 915.08664
3310.0000 -79.28027 -75.23277 4.04749 2.41182 -74.98773 918.81342
3315.0000 -80.27406 -76.62511 3.64895 2.28039 -76.36713 821.15740
3320.0000 -78.98136 -75.54891 3.43246 2.28573 -76.31104 864.41447
3325.0000 -78.43195 -73.93889 4.49307 2.43775 -74.71562 994.03043
3330.0000 -78.85778 -74.45482 4.40295 2.40585 -75.05038 947.44145
3335.0000 -80.64772 -76.71899 3.92873 2.33420 -75.80240 859.24037
3340.0000 -79.85969 -76.01621 3.84348 2.27744 -76.39806 823.23637
3345.0000 -78.72836 -74.52920 4.19916 2.34754 -75.66235 867.59791
3350.0000 -78.57576 -74.12863 4.44713 2.46232 -74.45773 960.24960
3355.0000 -78.94784 -74.31758 4.63026 2.46692 -74.40945 955.76056
3360.0000 -78.84641 -74.20759 4.63882 2.50145 -74.04711 1049.02543
3365.0000 -79.39367 -76.27505 3.11862 2.34705 -75.66755 908.60734
3370.0000 -79.26758 -74.57964 4.68794 2.41104 -74.99596 915.27413
3375.0000 -80.62988 -75.69924 4.93064 2.35417 -75.59274 907.76930
3380.0000 -79.92389 -75.41438 4.50951 2.32529 -75.89591 855.75046
3385.0000 -79.49639 -75.68959 3.80681 2.38118 -75.30931 917.15868
3390.0000 -79.10150 -75.25470 3.84679 2.34433 -75.69606 871.58204
3395.0000 -78.75444 -75.10726 3.64718 2.42968 -74.80028 921.97591
3400.0000 -77.50664 -73.81638 3.69026 2.43501 -74.74433 942.73850
3405.0000 -78.39324 -74.05860 4.33464 2.58468 -73.17353 1067.83707
3410.0000 -78.75714 -74.38728 4.36985 2.45416 -74.54343 992.10060
3415.0000 -79.00924 -74.35913 4.65012 2.50385 -74.02183 1077.33531
3420.0000 -79.25023 -74.71154 4.53869 2.43726 -74.72073 920.90410
3425.0000 -78.79913 -74.00350 4.79564 2.48851 -74.18289 988.39710
3430.0000 -79.58289 -75.78399 3.79890 2.46517 -74.42779 966.48077
3435.0000 -78.40068 -74.48118 3.91950 2.32371 -75.91246 849.54901
3440.0000 -78.74131 -74.53066 4.21064 2.44187 -74.67238 961.78504
3445.0000 -78.55093 -75.37479 3.17614 2.48034 -74.26862 982.89042
3450.0000 -78.30528 -75.22111 3.08417 2.38181 -75.30269 864.43654
3455.0000 -78.83185 -74.82382 4.00803 2.41741 -74.92903 957.81266
3460.0000 -78.09444 -73.28255 4.81189 2.46443 -74.43557 980.30257
3465.0000 -78.60433 -75.10577 3.49856 2.51168 -73.93971 1030.26787
3470.0000 -78.91385 -74.66231 4.25154 2.43366 -74.75851 942.31827
3475.0000 -78.56728 -74.60618 3.96110 2.45866 -74.49611 1008.45798
3480.0000 -78.75525 -74.72571 4.02953 2.47101 -74.36651 1021.58633
3485.0000 -79.09278 -74.56823 4.52456 2.48858 -74.18214 1020.89512
3490.0000 -78.55483 -74.67880 3.87603 2.48779 -74.19040 976.32354
3495.0000 -78.72936 -74.77026 3.95911 2.47048 -74.37213 992.58514
3500.0000 -78.93389 -75.76859 3.16530 2.34555 -75.68321 881.09430
FREEZING PROCESS: loop number 15 T-loop= 882.00000000000000
main_MD> interactions number 15 at Temperature= 882.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52935 0.26181 3.60935
force_rgl> df(natom) 0.30188 -2.14279 -1.09494
3505.0000 -79.02132 -75.37858 3.64274 2.32104 -75.94046 851.33592
3510.0000 -79.92949 -75.21648 4.71301 2.38414 -75.27820 919.80598
3515.0000 -79.07385 -75.59205 3.48180 2.40135 -75.09768 913.00938
3520.0000 -78.78083 -75.31695 3.46388 2.32327 -75.91709 849.83106
3525.0000 -79.23768 -75.60823 3.62945 2.40740 -75.03416 948.84984
3530.0000 -79.77865 -76.53128 3.24737 2.31638 -75.98944 864.22105
3535.0000 -80.65614 -76.80045 3.85569 2.28391 -76.33017 839.81151
3540.0000 -80.01872 -76.21575 3.80297 2.20717 -77.13553 769.57873
3545.0000 -79.65482 -76.05347 3.60135 2.32941 -75.85262 903.19467
3550.0000 -78.68201 -74.70152 3.98050 2.37313 -75.39379 883.09413
3555.0000 -80.26835 -75.40732 4.86103 2.42980 -74.79907 930.98143
3560.0000 -79.35352 -76.05212 3.30141 2.34748 -75.66303 851.37321
3565.0000 -78.27567 -74.29667 3.97901 2.38186 -75.30220 866.13988
3570.0000 -78.59114 -74.25400 4.33714 2.43301 -74.76536 973.78631
3575.0000 -78.65901 -74.39935 4.25966 2.49848 -74.07822 998.82051
3580.0000 -79.58507 -75.46988 4.11519 2.45215 -74.56452 974.22108
3585.0000 -79.46831 -76.11985 3.34846 2.33397 -75.80475 875.92166
3590.0000 -79.78880 -75.60965 4.17914 2.35219 -75.61351 862.37774
3595.0000 -80.03099 -76.52179 3.50921 2.24773 -76.70993 794.31335
3600.0000 -79.57879 -74.01567 5.56312 2.41288 -74.97658 989.82831
3605.0000 -79.75390 -75.51050 4.24340 2.37312 -75.39387 923.07994
3610.0000 -79.88897 -76.31075 3.57822 2.27943 -76.37719 820.46826
3615.0000 -79.15827 -75.82874 3.32953 2.31957 -75.95594 867.77406
3620.0000 -80.00735 -75.06028 4.94707 2.37465 -75.37790 882.70693
3625.0000 -78.77378 -74.72782 4.04596 2.45494 -74.53518 949.39396
3630.0000 -79.20667 -75.23286 3.97381 2.38578 -75.26102 913.29521
3635.0000 -77.95092 -74.32774 3.62318 2.50850 -73.97309 1007.47706
3640.0000 -78.13188 -73.62780 4.50407 2.49270 -74.13886 979.88326
3645.0000 -77.42896 -73.49848 3.93048 2.48485 -74.22130 996.07399
3650.0000 -79.30542 -75.62078 3.68465 2.42173 -74.88377 912.15013
3655.0000 -78.88282 -74.36177 4.52105 2.33266 -75.81856 873.82811
3660.0000 -79.65860 -75.72302 3.93558 2.40124 -75.09879 964.93173
3665.0000 -80.03475 -75.98622 4.04853 2.29475 -76.21640 857.54636
3670.0000 -79.90987 -76.41582 3.49406 2.33421 -75.80229 875.20911
3675.0000 -79.54676 -76.02032 3.52645 2.29449 -76.21918 846.96834
3680.0000 -80.82288 -76.49345 4.32942 2.31892 -75.96274 824.20601
3685.0000 -80.61149 -76.95566 3.65583 2.17056 -77.51981 742.35357
3690.0000 -79.81655 -76.28638 3.53017 2.18667 -77.35071 757.59515
3695.0000 -79.54930 -76.24422 3.30508 2.34590 -75.67963 888.21908
3700.0000 -80.66532 -77.89464 2.77068 2.23999 -76.79108 763.86252
3705.0000 -81.84189 -77.11149 4.73041 2.17062 -77.51918 753.46998
3710.0000 -79.61333 -76.00635 3.60697 2.24914 -76.69510 839.46553
3715.0000 -79.50367 -74.99372 4.50994 2.37430 -75.38156 962.41743
3720.0000 -78.71544 -74.65105 4.06439 2.42029 -74.89881 951.72545
3725.0000 -78.80240 -75.25233 3.55007 2.41934 -74.90879 957.29113
3730.0000 -78.68236 -73.81825 4.86411 2.45331 -74.55233 992.58713
3735.0000 -79.40291 -75.84359 3.55932 2.43764 -74.71674 993.40582
3740.0000 -79.76996 -76.33950 3.43046 2.29211 -76.24410 811.50927
3745.0000 -79.93364 -75.33529 4.59835 2.30971 -76.05937 842.79243
3750.0000 -79.85822 -76.60511 3.25311 2.29831 -76.17906 839.93349
FREEZING PROCESS: loop number 16 T-loop= 857.00000000000000
main_MD> interactions number 16 at Temperature= 857.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28849 -0.30003 -0.94049
force_rgl> df(natom) 2.15743 -3.86994 1.40043
3755.0000 -78.98975 -75.73258 3.25717 2.24057 -76.78504 769.68483
3760.0000 -79.94831 -75.40440 4.54391 2.34702 -75.66780 848.41775
3765.0000 -79.94141 -75.80112 4.14029 2.32524 -75.89646 887.70592
3770.0000 -80.53326 -76.15184 4.38142 2.29237 -76.24138 863.57534
3775.0000 -78.38792 -74.34548 4.04244 2.37343 -75.39063 892.58318
3780.0000 -78.46192 -74.65519 3.80673 2.44563 -74.63296 932.17690
3785.0000 -79.86904 -74.85554 5.01350 2.39387 -75.17615 918.97216
3790.0000 -80.28672 -76.51391 3.77281 2.35906 -75.54146 923.51415
3795.0000 -79.63556 -75.53661 4.09895 2.27793 -76.39288 831.97348
3800.0000 -79.32646 -75.57455 3.75191 2.34937 -75.64321 928.69065
3805.0000 -80.17572 -75.74643 4.42928 2.32714 -75.87642 869.56505
3810.0000 -79.20939 -75.50524 3.70415 2.35631 -75.57034 930.23830
3815.0000 -79.15473 -75.12788 4.02684 2.30777 -76.07977 866.23227
3820.0000 -78.76879 -74.78305 3.98574 2.36027 -75.52873 905.79053
3825.0000 -79.25177 -75.07238 4.17939 2.33568 -75.78686 857.44897
3830.0000 -80.00941 -77.09253 2.91688 2.35641 -75.56932 901.70041
3835.0000 -80.60738 -76.31177 4.29561 2.24885 -76.69811 798.38466
3840.0000 -79.78317 -75.43159 4.35158 2.32073 -75.94370 851.00824
3845.0000 -78.01814 -75.15903 2.85910 2.39014 -75.21524 927.43715
3850.0000 -80.02114 -76.06111 3.96003 2.30833 -76.07392 843.74274
3855.0000 -79.49149 -75.57090 3.92058 2.28038 -76.36723 798.88046
3860.0000 -79.56404 -76.02688 3.53716 2.35100 -75.62606 876.48598
3865.0000 -78.79418 -74.49933 4.29486 2.34944 -75.64245 861.76861
3870.0000 -78.46578 -74.48147 3.98431 2.49300 -74.13571 969.91185
3875.0000 -80.34821 -76.19010 4.15810 2.36162 -75.51462 873.08769
3880.0000 -79.32247 -75.56276 3.75971 2.36694 -75.45879 937.99308
3885.0000 -79.61728 -75.04620 4.57108 2.41881 -74.91439 947.02209
3890.0000 -79.86601 -75.80973 4.05628 2.34977 -75.63896 887.99609
3895.0000 -79.57843 -75.33249 4.24593 2.34680 -75.67017 910.10943
3900.0000 -80.06752 -75.83581 4.23171 2.26923 -76.48422 841.45124
3905.0000 -79.23477 -75.74986 3.48491 2.28629 -76.30521 857.52697
3910.0000 -79.85226 -75.60906 4.24320 2.37488 -75.37539 905.84842
3915.0000 -79.76372 -76.16144 3.60229 2.33039 -75.84240 861.73410
3920.0000 -79.07847 -75.74134 3.33713 2.30227 -76.13747 826.08180
3925.0000 -80.80478 -76.64291 4.16188 2.29717 -76.19101 847.20598
3930.0000 -79.70639 -76.32416 3.38223 2.30433 -76.11583 878.22524
3935.0000 -79.74421 -76.71371 3.03050 2.28346 -76.33492 847.31114
3940.0000 -80.07313 -75.51659 4.55654 2.28211 -76.34911 861.80671
3945.0000 -79.52735 -75.25473 4.27262 2.36624 -75.46613 897.46970
3950.0000 -80.11569 -76.53150 3.58419 2.28700 -76.29779 823.04276
3955.0000 -80.48828 -76.53483 3.95345 2.21971 -77.00391 796.53517
3960.0000 -79.34308 -76.44379 2.89929 2.28215 -76.34867 861.80163
3965.0000 -80.67062 -76.91014 3.76048 2.33904 -75.75156 876.55579
3970.0000 -79.93511 -76.20118 3.73393 2.26824 -76.49468 856.05911
3975.0000 -78.77537 -75.17922 3.59615 2.37554 -75.36849 900.44578
3980.0000 -77.88543 -74.38785 3.49758 2.41028 -75.00393 882.15855
3985.0000 -78.78475 -74.49878 4.28598 2.41101 -74.99630 946.23448
3990.0000 -79.07872 -74.97780 4.10092 2.44889 -74.59866 977.61696
3995.0000 -78.42077 -75.25846 3.16231 2.37877 -75.33463 880.67025
4000.0000 -80.55312 -75.70539 4.84773 2.29772 -76.18521 849.82351
FREEZING PROCESS: loop number 17 T-loop= 832.00000000000000
main_MD> interactions number 17 at Temperature= 832.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.58535 2.21442 0.94374
force_rgl> df(natom) -2.13681 -0.92244 -2.70343
4005.0000 -80.20460 -76.52645 3.67815 2.29968 -76.16468 867.88109
4010.0000 -79.99114 -76.31090 3.68024 2.29092 -76.25662 811.60170
4015.0000 -79.88541 -76.28490 3.60051 2.25733 -76.60916 820.76837
4020.0000 -80.58515 -77.61997 2.96518 2.22151 -76.98508 788.44993
4025.0000 -80.03100 -76.93990 3.09110 2.17044 -77.52110 718.00524
4030.0000 -80.17446 -76.51349 3.66097 2.32051 -75.94606 873.46067
4035.0000 -80.46024 -77.01705 3.44318 2.18746 -77.34243 759.80695
4040.0000 -79.31036 -75.66589 3.64447 2.27314 -76.44324 815.77028
4045.0000 -78.87242 -75.59746 3.27496 2.33615 -75.78188 854.40930
4050.0000 -79.73023 -76.68576 3.04447 2.31312 -76.02362 830.84118
4055.0000 -79.63511 -76.17104 3.46407 2.30500 -76.10888 878.44161
4060.0000 -79.35257 -75.57364 3.77893 2.31010 -76.05529 830.00643
4065.0000 -79.52984 -75.41770 4.11215 2.36263 -75.50396 912.23226
4070.0000 -79.76468 -76.50540 3.25929 2.29124 -76.25329 813.65366
4075.0000 -80.79825 -76.39107 4.40718 2.30098 -76.15102 855.51178
4080.0000 -79.91067 -76.31081 3.59987 2.25265 -76.65825 822.58517
4085.0000 -79.82378 -76.22258 3.60120 2.24197 -76.77036 790.79117
4090.0000 -79.27426 -76.42866 2.84561 2.33322 -75.81270 834.98151
4095.0000 -80.81007 -76.39994 4.41013 2.31077 -76.04825 849.03648
4100.0000 -80.75498 -77.42781 3.32717 2.25108 -76.67471 814.34767
4105.0000 -79.02258 -74.93087 4.09172 2.34798 -75.65773 884.79000
4110.0000 -80.43908 -76.30072 4.13836 2.31242 -76.03099 830.35765
4115.0000 -79.91999 -77.37975 2.54024 2.29453 -76.21875 849.19700
4120.0000 -80.39780 -77.73200 2.66581 2.21723 -77.03001 744.65215
4125.0000 -80.47082 -77.03366 3.43716 2.22903 -76.90610 799.13211
4130.0000 -80.31332 -75.90869 4.40463 2.22547 -76.94356 748.40411
4135.0000 -79.74711 -75.05261 4.69449 2.36221 -75.50839 926.51687
4140.0000 -80.06503 -77.10544 2.95959 2.31787 -75.97376 867.85489
4145.0000 -80.33497 -77.88006 2.45490 2.19478 -77.26562 784.94507
4150.0000 -80.66140 -77.19164 3.46977 2.15073 -77.72796 708.92655
4155.0000 -80.19593 -76.25254 3.94339 2.25315 -76.65301 835.33687
4160.0000 -81.24546 -78.20101 3.04445 2.17858 -77.43562 743.38888
4165.0000 -80.67309 -77.51419 3.15890 2.14363 -77.80243 702.43431
4170.0000 -81.33204 -78.32412 3.00793 2.15297 -77.70440 724.11434
4175.0000 -80.08845 -76.28511 3.80334 2.22503 -76.94809 768.10617
4180.0000 -79.69001 -76.04082 3.64920 2.32328 -75.91696 838.89743
4185.0000 -80.13653 -76.21877 3.91776 2.28127 -76.35790 821.69283
4190.0000 -80.57382 -76.30308 4.27074 2.30168 -76.14372 860.31473
4195.0000 -80.41820 -76.88485 3.53335 2.18543 -77.36370 736.50588
4200.0000 -80.94529 -77.98785 2.95744 2.19741 -77.23798 763.69018
4205.0000 -80.50759 -76.50827 3.99932 2.26070 -76.57376 813.72115
4210.0000 -79.83289 -75.92449 3.90840 2.33339 -75.81083 857.50537
4215.0000 -79.78358 -75.55560 4.22798 2.35212 -75.61433 933.27801
4220.0000 -78.99999 -75.30057 3.69942 2.37462 -75.37821 919.41539
4225.0000 -80.25154 -76.48248 3.76906 2.29018 -76.26432 782.10637
4230.0000 -79.94074 -75.96697 3.97377 2.23990 -76.79208 807.36248
4235.0000 -80.73899 -77.02312 3.71587 2.27868 -76.38505 782.83832
4240.0000 -80.34234 -77.23022 3.11212 2.22813 -76.91556 754.29692
4245.0000 -80.81437 -77.74450 3.06987 2.17343 -77.48962 756.34115
4250.0000 -81.35737 -78.34063 3.01674 2.11549 -78.09770 665.44540
FREEZING PROCESS: loop number 18 T-loop= 807.00000000000000
main_MD> interactions number 18 at Temperature= 807.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.42736 1.70447 -1.24290
force_rgl> df(natom) 0.92948 2.43173 0.22631
4255.0000 -80.54141 -76.80514 3.73627 2.18629 -77.35474 787.79696
4260.0000 -79.57449 -76.44089 3.13360 2.25345 -76.64990 802.60191
4265.0000 -78.88980 -74.77822 4.11158 2.34184 -75.72218 855.46236
4270.0000 -79.72790 -76.90829 2.81961 2.36500 -75.47912 903.30844
4275.0000 -79.80394 -76.89606 2.90789 2.26050 -76.57588 778.58859
4280.0000 -79.34239 -76.11900 3.22339 2.32410 -75.90837 830.53433
4285.0000 -80.09185 -76.52678 3.56508 2.28101 -76.36056 864.97849
4290.0000 -80.28710 -77.40281 2.88428 2.25009 -76.68507 796.48905
4295.0000 -80.35352 -76.21654 4.13699 2.29985 -76.16284 826.60319
4300.0000 -81.35487 -77.02036 4.33451 2.26143 -76.56607 818.88372
4305.0000 -79.21781 -75.49703 3.72078 2.30251 -76.13500 875.64813
4310.0000 -80.36948 -77.04054 3.32895 2.28060 -76.36496 836.74460
4315.0000 -79.54184 -75.86413 3.67771 2.29291 -76.23569 837.98759
4320.0000 -80.70814 -77.39976 3.30839 2.24837 -76.70315 813.67329
4325.0000 -81.21478 -78.37020 2.84458 2.13367 -77.90695 714.70416
4330.0000 -80.84692 -78.12231 2.72461 2.11226 -78.13167 716.57863
4335.0000 -80.10261 -76.65420 3.44841 2.16192 -77.61052 736.10387
4340.0000 -81.08419 -77.55853 3.52566 2.25232 -76.66175 821.41002
4345.0000 -79.63312 -75.89985 3.73327 2.29201 -76.24513 835.78263
4350.0000 -80.81990 -77.48731 3.33259 2.25877 -76.59400 787.82090
4355.0000 -79.94407 -76.31740 3.62667 2.19536 -77.25953 737.76869
4360.0000 -79.95400 -76.29844 3.65556 2.29174 -76.24799 826.66122
4365.0000 -80.23296 -77.23300 2.99996 2.32947 -75.85200 904.69995
4370.0000 -80.56294 -77.82828 2.73465 2.21199 -77.08502 796.37409
4375.0000 -80.09235 -76.45917 3.63318 2.23631 -76.82974 759.00303
4380.0000 -80.59742 -77.41835 3.17907 2.25857 -76.59613 790.73552
4385.0000 -80.54758 -76.64164 3.90594 2.22240 -76.97570 783.39461
4390.0000 -80.14304 -76.54613 3.59691 2.34851 -75.65221 892.77702
4395.0000 -79.11317 -74.41196 4.70121 2.39453 -75.16917 900.26071
4400.0000 -79.11609 -75.35597 3.76012 2.38163 -75.30456 920.87074
4405.0000 -79.29492 -75.08669 4.20822 2.40841 -75.02356 906.18815
4410.0000 -79.27674 -75.28099 3.99575 2.40849 -75.02268 960.50738
4415.0000 -79.76739 -74.43758 5.32981 2.42374 -74.86269 949.92014
4420.0000 -80.17518 -76.42035 3.75483 2.35185 -75.61711 855.50946
4425.0000 -80.89859 -76.98056 3.91803 2.25642 -76.61872 778.84435
4430.0000 -80.66728 -78.02788 2.63940 2.18808 -77.33592 734.51161
4435.0000 -80.07278 -76.32994 3.74284 2.24930 -76.69336 774.40601
4440.0000 -80.08753 -76.47593 3.61161 2.24208 -76.76923 782.57404
4445.0000 -79.91345 -75.92314 3.99031 2.28598 -76.30843 785.53180
4450.0000 -79.99600 -76.51528 3.48072 2.26566 -76.52167 833.01795
4455.0000 -79.86135 -74.87272 4.98864 2.34013 -75.74017 869.50737
4460.0000 -80.24662 -74.91751 5.32912 2.36795 -75.44816 962.75913
4465.0000 -80.66301 -75.54318 5.11983 2.35842 -75.54813 934.53513
4470.0000 -79.91354 -77.22922 2.68432 2.25147 -76.67066 788.06464
4475.0000 -80.31307 -76.39953 3.91355 2.27775 -76.39487 834.11692
4480.0000 -80.07827 -76.08391 3.99436 2.27639 -76.40912 835.33258
4485.0000 -79.81783 -76.92046 2.89737 2.26587 -76.51954 787.33530
4490.0000 -80.04852 -76.31262 3.73590 2.27294 -76.44527 830.38536
4495.0000 -79.76334 -76.53074 3.23260 2.25900 -76.59156 815.41392
4500.0000 -80.33775 -76.84002 3.49772 2.23117 -76.88372 787.75287
FREEZING PROCESS: loop number 19 T-loop= 782.00000000000000
main_MD> interactions number 19 at Temperature= 782.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.49340 3.10217 -2.02967
force_rgl> df(natom) -0.03992 -2.55210 -1.41353
4505.0000 -80.62419 -77.30534 3.31885 2.18312 -77.38796 748.37605
4510.0000 -80.77804 -76.79141 3.98663 2.20343 -77.17484 758.89641
4515.0000 -80.94252 -77.12524 3.81728 2.23374 -76.85675 804.56323
4520.0000 -80.61603 -77.68731 2.92873 2.20400 -77.16880 798.37330
4525.0000 -81.44617 -77.50722 3.93895 2.17517 -77.47138 759.40553
4530.0000 -81.76991 -78.63021 3.13970 2.08770 -78.38936 662.36556
4535.0000 -81.96097 -79.07429 2.88668 2.07539 -78.51862 708.44050
4540.0000 -81.64834 -77.68232 3.96601 2.09939 -78.26672 717.14878
4545.0000 -79.63802 -76.39662 3.24140 2.23073 -76.88834 766.19821
4550.0000 -79.39926 -76.42128 2.97798 2.27072 -76.46860 775.00077
4555.0000 -80.55196 -76.45439 4.09758 2.24585 -76.72963 781.46517
4560.0000 -81.17514 -78.40685 2.76829 2.16881 -77.53817 743.69387
4565.0000 -81.64131 -79.23404 2.40727 2.05623 -78.71969 628.59050
4570.0000 -80.42877 -77.25348 3.17529 2.09720 -78.28974 687.86612
4575.0000 -80.89112 -77.95661 2.93451 2.13303 -77.91363 696.67543
4580.0000 -80.57876 -76.33538 4.24338 2.21532 -77.04999 772.08236
4585.0000 -79.69540 -75.96552 3.72988 2.30115 -76.14920 851.45028
4590.0000 -79.46539 -76.07435 3.39104 2.30930 -76.06372 881.63740
4595.0000 -79.77534 -75.40282 4.37252 2.34380 -75.70160 874.24621
4600.0000 -81.46618 -77.34595 4.12023 2.23453 -76.84838 772.59620
4605.0000 -79.82338 -76.17931 3.64407 2.25264 -76.65837 816.27111
4610.0000 -81.34955 -77.76055 3.58899 2.20699 -77.13750 760.18272
4615.0000 -81.05847 -77.98220 3.07627 2.10430 -78.21515 691.41989
4620.0000 -80.13280 -77.20065 2.93215 2.13934 -77.84743 720.33940
4625.0000 -81.30110 -77.17444 4.12666 2.20361 -77.17289 786.23120
4630.0000 -80.99214 -77.19026 3.80188 2.17435 -77.47997 778.34048
4635.0000 -80.39607 -77.01248 3.38359 2.21341 -77.07012 795.63995
4640.0000 -80.58383 -76.80520 3.77863 2.22332 -76.96604 798.55874
4645.0000 -80.45892 -75.86374 4.59518 2.26333 -76.54615 808.22271
4650.0000 -80.07098 -75.49046 4.58052 2.28309 -76.33875 858.68644
4655.0000 -79.64473 -76.02528 3.61945 2.36278 -75.50239 926.29697
4660.0000 -80.76967 -77.16888 3.60079 2.22483 -76.95024 820.35918
4665.0000 -81.01199 -77.96352 3.04847 2.13080 -77.93711 707.28231
4670.0000 -79.97816 -76.54131 3.43685 2.18488 -77.36946 771.49481
4675.0000 -79.96247 -75.88634 4.07613 2.22394 -76.95959 775.30124
4680.0000 -79.45039 -76.19956 3.25083 2.31206 -76.03476 896.77043
4685.0000 -80.44573 -76.33747 4.10826 2.28542 -76.31434 841.94821
4690.0000 -80.29395 -76.65133 3.64262 2.25500 -76.63361 811.71798
4695.0000 -79.54268 -76.14211 3.40058 2.24927 -76.69375 809.64223
4700.0000 -80.41630 -77.07189 3.34441 2.26417 -76.53731 859.29558
4705.0000 -80.13817 -77.69079 2.44738 2.17632 -77.45930 698.11643
4710.0000 -80.90864 -77.43056 3.47808 2.16088 -77.62141 724.25158
4715.0000 -80.85298 -77.16497 3.68801 2.17988 -77.42193 760.54308
4720.0000 -80.65328 -77.66063 2.99264 2.16198 -77.60980 760.26908
4725.0000 -81.29709 -77.75006 3.54703 2.16601 -77.56756 752.82233
4730.0000 -80.87431 -77.13476 3.73955 2.15954 -77.63543 731.70601
4735.0000 -80.73881 -77.13327 3.60554 2.23504 -76.84302 785.32241
4740.0000 -79.03785 -75.62405 3.41380 2.31430 -76.01126 857.55717
4745.0000 -81.64982 -77.53045 4.11936 2.28165 -76.35389 813.21123
4750.0000 -80.92383 -77.39184 3.53198 2.13033 -77.94196 722.77518
FREEZING PROCESS: loop number 20 T-loop= 757.00000000000000
main_MD> interactions number 20 at Temperature= 757.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.44198 -2.38036 -1.49047
force_rgl> df(natom) -1.40008 0.70348 -1.37210
4755.0000 -79.85987 -76.83406 3.02581 2.21719 -77.03041 804.40761
4760.0000 -80.24193 -76.08722 4.15472 2.29905 -76.17130 842.19166
4765.0000 -80.05095 -76.47984 3.57111 2.30905 -76.06631 836.08996
4770.0000 -81.46065 -78.37759 3.08305 2.17619 -77.46067 721.86506
4775.0000 -81.45576 -78.74914 2.70662 2.04995 -78.78565 615.54304
4780.0000 -82.10882 -78.95588 3.15294 2.09885 -78.27244 676.96876
4785.0000 -80.63113 -77.71693 2.91420 2.06308 -78.64781 634.15253
4790.0000 -82.06644 -78.96739 3.09904 2.09453 -78.31778 666.36340
4795.0000 -81.56405 -78.00018 3.56387 2.03882 -78.90242 616.59012
4800.0000 -80.79468 -77.97726 2.81743 2.14748 -77.76199 715.81070
4805.0000 -79.63281 -76.48396 3.14885 2.21695 -77.03288 768.88395
4810.0000 -79.33084 -76.84163 2.48921 2.22227 -76.97704 719.80214
4815.0000 -80.76095 -77.52132 3.23963 2.21809 -77.02091 773.54841
4820.0000 -79.72130 -76.45689 3.26441 2.22102 -76.99020 766.45821
4825.0000 -79.18925 -75.32573 3.86352 2.34388 -75.70081 867.53853
4830.0000 -79.99748 -76.72664 3.27084 2.30079 -76.15302 879.77712
4835.0000 -79.69884 -76.05669 3.64214 2.25081 -76.67752 799.52755
4840.0000 -79.87720 -75.88990 3.98731 2.22755 -76.92165 785.71920
4845.0000 -80.26663 -76.78572 3.48091 2.30097 -76.15110 833.44900
4850.0000 -80.29047 -76.33050 3.95996 2.27534 -76.42015 832.58935
4855.0000 -80.75887 -76.87833 3.88054 2.23545 -76.83880 815.10999
4860.0000 -79.65344 -76.94176 2.71167 2.22706 -76.92683 781.93715
4865.0000 -79.44396 -76.42055 3.02342 2.26099 -76.57076 794.29475
4870.0000 -79.93678 -77.01015 2.92663 2.19140 -77.30109 750.32865
4875.0000 -79.98209 -76.93222 3.04987 2.18871 -77.32934 742.49413
4880.0000 -81.85093 -79.03844 2.81249 2.11501 -78.10282 706.97459
4885.0000 -80.01061 -77.49513 2.51548 2.09514 -78.31135 694.31975
4890.0000 -80.18706 -77.64197 2.54509 2.19604 -77.25238 727.72668
4895.0000 -79.82245 -77.09728 2.72517 2.20444 -77.16424 745.30153
4900.0000 -81.03437 -77.81033 3.22404 2.15151 -77.71973 724.54927
4905.0000 -80.17002 -77.41156 2.75846 2.13056 -77.93961 686.48037
4910.0000 -80.54764 -77.42732 3.12032 2.19284 -77.28591 742.57265
4915.0000 -80.25371 -77.87220 2.38150 2.16135 -77.61646 720.22355
4920.0000 -80.77959 -77.41935 3.36024 2.15374 -77.69631 735.65054
4925.0000 -79.69694 -76.12542 3.57152 2.20811 -77.12572 776.11955
4930.0000 -80.42430 -76.37818 4.04613 2.22082 -76.99231 805.27198
4935.0000 -80.25444 -76.08525 4.16919 2.25018 -76.68421 800.50829
4940.0000 -80.07717 -76.42034 3.65683 2.21836 -77.01809 742.52160
4945.0000 -80.79990 -77.05872 3.74118 2.21396 -77.06433 796.58928
4950.0000 -79.83537 -76.51289 3.32249 2.22728 -76.92446 781.94751
4955.0000 -80.32287 -76.83163 3.49124 2.27327 -76.44181 809.78784
4960.0000 -80.27244 -77.31121 2.96123 2.19712 -77.24101 770.19181
4965.0000 -80.59063 -77.40979 3.18085 2.15587 -77.67400 715.92119
4970.0000 -81.06442 -77.89602 3.16841 2.14366 -77.80213 712.63391
4975.0000 -80.47714 -77.44548 3.03165 2.17454 -77.47803 780.84526
4980.0000 -80.78256 -78.07790 2.70465 2.14704 -77.76667 720.56461
4985.0000 -80.60256 -77.18357 3.41899 2.19636 -77.24902 783.64767
4990.0000 -81.24644 -78.09141 3.15503 2.13879 -77.85324 738.55137
4995.0000 -80.53742 -77.08228 3.45514 2.15333 -77.70066 743.49280
5000.0000 -81.04396 -76.79047 4.25349 2.24815 -76.70551 820.35521
FREEZING PROCESS: loop number 21 T-loop= 732.00000000000000
main_MD> interactions number 21 at Temperature= 732.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.70913 -0.94868 -1.95090
force_rgl> df(natom) 0.77745 -2.09490 -2.90174
5005.0000 -80.36767 -77.49034 2.87733 2.20728 -77.13437 772.84901
5010.0000 -80.87804 -77.62228 3.25576 2.19286 -77.28571 762.29625
5015.0000 -79.83687 -76.67199 3.16488 2.18621 -77.35558 714.24275
5020.0000 -81.16803 -77.22293 3.94510 2.24731 -76.71428 794.17204
5025.0000 -80.01931 -76.04240 3.97692 2.22137 -76.98655 788.91540
5030.0000 -80.34044 -76.77199 3.56846 2.27136 -76.46193 811.03938
5035.0000 -80.97300 -78.10639 2.86662 2.15253 -77.70898 703.35661
5040.0000 -81.15016 -77.16834 3.98181 2.14414 -77.79706 728.32031
5045.0000 -81.56076 -78.72315 2.83760 2.17826 -77.43901 745.10370
5050.0000 -81.13630 -77.64975 3.48655 2.15268 -77.70743 694.47682
5055.0000 -80.23373 -77.19287 3.04086 2.17383 -77.48549 683.11111
5060.0000 -81.05605 -76.41661 4.63944 2.22393 -76.95965 818.06504
5065.0000 -80.76941 -77.51414 3.25527 2.20867 -77.11982 776.57015
5070.0000 -80.31212 -77.30744 3.00468 2.14691 -77.76795 668.37528
5075.0000 -80.44942 -76.81295 3.63647 2.18492 -77.36912 741.01327
5080.0000 -81.02582 -77.51634 3.50947 2.20730 -77.13421 766.48945
5085.0000 -81.36555 -78.30858 3.05697 2.14390 -77.79958 694.68205
5090.0000 -80.96207 -76.80323 4.15884 2.17271 -77.49724 756.07415
5095.0000 -80.33366 -77.20065 3.13302 2.19752 -77.23685 782.67834
5100.0000 -80.42379 -77.36176 3.06203 2.16956 -77.53033 746.24323
5105.0000 -80.44774 -77.90620 2.54154 2.22887 -76.90786 778.51867
5110.0000 -79.38024 -76.46060 2.91964 2.22921 -76.90424 788.07660
5115.0000 -80.06552 -77.40176 2.66376 2.24625 -76.72546 777.83967
5120.0000 -80.43338 -77.94482 2.48856 2.17368 -77.48703 733.10646
5125.0000 -80.13889 -77.21165 2.92724 2.14193 -77.82024 695.45427
5130.0000 -80.66051 -77.98786 2.67265 2.17747 -77.44729 741.50692
5135.0000 -81.04030 -77.71199 3.32831 2.11655 -78.08664 710.94360
5140.0000 -80.47999 -77.73674 2.74326 2.18297 -77.38957 744.93934
5145.0000 -80.92942 -78.30867 2.62075 2.17215 -77.50315 721.83640
5150.0000 -81.53645 -78.22584 3.31061 2.13353 -77.90839 715.12006
5155.0000 -81.43727 -78.75356 2.68370 2.07459 -78.52705 657.95643
5160.0000 -80.86817 -77.91127 2.95690 2.06854 -78.59045 633.96433
5165.0000 -80.73285 -77.43752 3.29533 2.11384 -78.11505 711.48344
5170.0000 -80.75510 -77.14844 3.60666 2.19908 -77.22046 769.30060
5175.0000 -80.75217 -76.99831 3.75386 2.20308 -77.17851 752.88940
5180.0000 -80.27710 -76.78035 3.49675 2.20005 -77.21033 769.80287
5185.0000 -81.44860 -77.99862 3.44998 2.22692 -76.92828 807.39930
5190.0000 -79.68739 -76.59810 3.08929 2.17248 -77.49961 741.66904
5195.0000 -81.06402 -77.88462 3.17940 2.27098 -76.46583 849.89945
5200.0000 -80.00542 -76.65557 3.34985 2.20306 -77.17871 752.68414
5205.0000 -81.22785 -77.36705 3.86079 2.20806 -77.12618 763.04518
5210.0000 -80.50727 -77.64892 2.85834 2.17287 -77.49554 715.11987
5215.0000 -80.49618 -77.49518 3.00100 2.16551 -77.57283 734.12287
5220.0000 -80.81180 -77.83130 2.98050 2.16717 -77.55541 773.06226
5225.0000 -80.74859 -78.11290 2.63569 2.11376 -78.11588 693.04351
5230.0000 -80.11280 -76.54650 3.56630 2.21623 -77.04053 780.62819
5235.0000 -80.00868 -76.57333 3.43535 2.27777 -76.39460 829.41305
5240.0000 -80.17601 -75.70016 4.47585 2.28414 -76.32780 877.14240
5245.0000 -81.22222 -76.87773 4.34450 2.29817 -76.18052 885.51458
5250.0000 -80.81611 -78.48738 2.32874 2.09977 -78.26272 661.19259
FREEZING PROCESS: loop number 22 T-loop= 707.00000000000000
main_MD> interactions number 22 at Temperature= 707.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.59812 -2.65894 -0.15237
force_rgl> df(natom) 3.59709 2.32539 0.27011
5255.0000 -81.32761 -78.68884 2.63877 2.07628 -78.50922 663.02756
5260.0000 -81.49293 -79.16604 2.32689 2.04693 -78.81728 643.86965
5265.0000 -81.14512 -77.95449 3.19063 2.03399 -78.95306 640.58075
5270.0000 -81.57095 -79.19437 2.37658 2.02054 -79.09423 641.12968
5275.0000 -81.15966 -78.60736 2.55230 2.05795 -78.70165 628.21787
5280.0000 -81.11398 -78.58901 2.52497 2.09483 -78.31463 649.72997
5285.0000 -80.85834 -77.73462 3.12371 2.09771 -78.28440 661.33633
5290.0000 -79.99684 -76.94332 3.05352 2.20443 -77.16430 737.38705
5295.0000 -80.07569 -77.13986 2.93583 2.21596 -77.04333 755.31321
5300.0000 -81.11384 -78.03380 3.08004 2.15117 -77.72324 720.18752
5305.0000 -80.99266 -77.36754 3.62512 2.15394 -77.69423 700.56813
5310.0000 -80.51132 -78.11188 2.39945 2.17251 -77.49930 707.30613
5315.0000 -81.83914 -78.87901 2.96014 2.08351 -78.43334 659.47534
5320.0000 -81.29648 -78.47932 2.81715 2.04975 -78.78765 626.43000
5325.0000 -81.49307 -77.89544 3.59763 2.11457 -78.10742 703.73785
5330.0000 -81.28027 -78.31927 2.96100 2.10396 -78.21878 703.78622
5335.0000 -80.65175 -77.34649 3.30526 2.12874 -77.95865 705.68111
5340.0000 -80.29920 -77.47091 2.82829 2.18820 -77.33470 743.70094
5345.0000 -80.54337 -77.45681 3.08657 2.20495 -77.15882 708.41237
5350.0000 -80.65744 -77.73160 2.92585 2.17553 -77.46764 713.25640
5355.0000 -81.11516 -78.29668 2.81848 2.14552 -77.78260 710.93382
5360.0000 -81.15569 -78.25627 2.89941 2.09388 -78.32450 685.51136
5365.0000 -80.97695 -77.89966 3.07729 2.10011 -78.25921 662.08171
5370.0000 -81.19500 -77.61743 3.57757 2.13623 -77.88005 707.19202
5375.0000 -80.45921 -77.02752 3.43169 2.19644 -77.24815 736.26935
5380.0000 -81.11439 -78.37249 2.74189 2.16637 -77.56376 724.64834
5385.0000 -80.78200 -78.35618 2.42582 2.05648 -78.71706 595.33220
5390.0000 -81.50602 -77.80701 3.69901 2.15525 -77.68050 756.20088
5395.0000 -81.35742 -78.49077 2.86665 2.05510 -78.73158 618.84584
5400.0000 -80.86869 -77.92556 2.94313 2.08567 -78.41076 618.82003
5405.0000 -80.60658 -78.00873 2.59785 2.10349 -78.22369 652.83509
5410.0000 -80.32914 -77.38852 2.94062 2.15687 -77.66351 693.13225
5415.0000 -80.20501 -76.83229 3.37273 2.20331 -77.17604 756.77092
5420.0000 -80.65541 -78.14532 2.51009 2.19216 -77.29307 746.56035
5425.0000 -80.57087 -77.06591 3.50495 2.21004 -77.10544 769.15769
5430.0000 -79.78399 -77.15123 2.63275 2.19774 -77.23456 736.23564
5435.0000 -80.70474 -77.14245 3.56229 2.17195 -77.50518 706.94313
5440.0000 -81.21311 -77.73098 3.48213 2.18083 -77.41199 763.59936
5445.0000 -80.62676 -77.86300 2.76376 2.11117 -78.14310 709.69480
5450.0000 -80.97029 -77.68125 3.28905 2.16117 -77.61837 748.17513
5455.0000 -81.99410 -78.65885 3.33526 2.09186 -78.34577 670.18626
5460.0000 -81.05847 -77.91091 3.14756 2.07393 -78.53389 650.06852
5465.0000 -80.99422 -78.09232 2.90191 2.08732 -78.39345 646.88343
5470.0000 -80.63470 -77.61648 3.01822 2.16797 -77.54701 708.54887
5475.0000 -80.40884 -76.91807 3.49076 2.16693 -77.55792 700.64741
5480.0000 -80.56822 -77.16576 3.40247 2.23660 -76.82668 747.33891
5485.0000 -80.57916 -77.64475 2.93441 2.19271 -77.28735 732.39620
5490.0000 -81.51461 -78.65665 2.85795 2.08164 -78.45298 659.19804
5495.0000 -82.04710 -79.25821 2.78889 2.03191 -78.97491 612.17658
5500.0000 -81.41461 -78.75907 2.65555 2.02913 -79.00416 621.98099
FREEZING PROCESS: loop number 23 T-loop= 682.00000000000000
main_MD> interactions number 23 at Temperature= 682.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26560 0.15073 1.52468
force_rgl> df(natom) 2.25524 -0.07202 -0.12678
5505.0000 -81.28326 -78.29964 2.98362 2.07938 -78.47668 649.99015
5510.0000 -81.34059 -77.55514 3.78545 2.11441 -78.10910 644.55652
5515.0000 -81.59668 -78.26702 3.32965 2.15337 -77.70023 710.53434
5520.0000 -81.22853 -78.98308 2.24546 2.06521 -78.62542 644.54134
5525.0000 -82.09256 -78.92571 3.16685 2.02212 -79.07772 621.40534
5530.0000 -81.76504 -78.71245 3.05259 2.05189 -78.76525 625.56065
5535.0000 -80.19956 -77.05003 3.14953 2.14831 -77.75330 709.21344
5540.0000 -80.70579 -78.21361 2.49218 2.15922 -77.63875 711.92759
5545.0000 -80.34610 -77.93178 2.41433 2.14949 -77.74092 697.06441
5550.0000 -81.03559 -78.31992 2.71567 2.14275 -77.81169 709.98443
5555.0000 -81.35564 -78.26486 3.09078 2.13304 -77.91352 679.37655
5560.0000 -80.50523 -76.80158 3.70365 2.20226 -77.18712 733.05002
5565.0000 -80.85387 -77.42955 3.42433 2.20927 -77.11355 767.76954
5570.0000 -80.97132 -78.35113 2.62019 2.08548 -78.41273 661.38858
5575.0000 -80.95241 -77.52699 3.42543 2.12606 -77.98683 692.89672
5580.0000 -81.95191 -78.96262 2.98929 2.10994 -78.15603 696.70651
5585.0000 -80.21200 -77.66491 2.54709 2.05776 -78.70362 612.87555
5590.0000 -80.67756 -78.45749 2.22007 2.10549 -78.20270 670.88142
5595.0000 -81.47537 -78.49620 2.97917 2.06376 -78.64064 648.81378
5600.0000 -81.31502 -78.74442 2.57060 2.06667 -78.61014 622.67465
5605.0000 -80.76269 -78.43779 2.32489 2.05441 -78.73876 630.57415
5610.0000 -81.65302 -79.22924 2.42378 2.04618 -78.82515 605.58312
5615.0000 -81.98820 -79.56264 2.42556 1.97728 -79.54825 568.95146
5620.0000 -82.04423 -78.58625 3.45799 2.08104 -78.45928 669.69428
5625.0000 -81.52756 -78.35001 3.17755 2.09002 -78.36506 664.28588
5630.0000 -80.50089 -78.14551 2.35538 2.12664 -77.98076 690.57143
5635.0000 -81.33107 -78.48125 2.84981 2.09558 -78.30671 710.04187
5640.0000 -80.98755 -77.79613 3.19141 2.09758 -78.28575 674.99707
5645.0000 -81.12624 -78.86882 2.25741 2.10299 -78.22889 674.36621
5650.0000 -81.33640 -78.22378 3.11262 2.08255 -78.44345 650.50314
5655.0000 -80.89246 -77.87633 3.01613 2.11621 -78.09021 690.48432
5660.0000 -81.09985 -78.09630 3.00355 2.13761 -77.86563 692.76104
5665.0000 -80.93855 -77.57844 3.36011 2.13331 -77.91069 703.01936
5670.0000 -81.30971 -77.80998 3.49974 2.17114 -77.51365 751.56026
5675.0000 -80.21330 -76.60427 3.60903 2.16473 -77.58101 755.50804
5680.0000 -80.85652 -77.12413 3.73240 2.25293 -76.65527 789.95320
5685.0000 -80.47772 -77.40795 3.06978 2.17302 -77.49394 756.17900
5690.0000 -80.95308 -77.35494 3.59813 2.14098 -77.83026 733.70194
5695.0000 -80.88676 -78.22536 2.66140 2.06790 -78.59719 639.06596
5700.0000 -81.63803 -78.11684 3.52119 2.09828 -78.27841 675.03786
5705.0000 -81.32925 -78.64129 2.68796 2.11572 -78.09534 672.54764
5710.0000 -80.91759 -78.35140 2.56619 2.11926 -78.05823 684.63108
5715.0000 -80.66614 -77.78453 2.88161 2.13664 -77.87577 711.23125
5720.0000 -80.86583 -78.17098 2.69485 2.10436 -78.21459 620.89478
5725.0000 -80.85552 -78.01690 2.83862 2.12960 -77.94964 686.34260
5730.0000 -80.83334 -78.13327 2.70007 2.12224 -78.02696 698.36665
5735.0000 -82.09827 -79.07601 3.02226 2.05205 -78.76357 620.11417
5740.0000 -80.71435 -77.69162 3.02273 2.08956 -78.36990 638.82166
5745.0000 -81.74362 -78.90069 2.84293 2.09495 -78.31335 656.86122
5750.0000 -80.79606 -77.10853 3.68753 2.12419 -78.00648 679.96934
FREEZING PROCESS: loop number 24 T-loop= 657.00000000000000
main_MD> interactions number 24 at Temperature= 657.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.73378 -0.05303 -1.49711
force_rgl> df(natom) -4.66489 1.63743 -4.09947
5755.0000 -81.22861 -77.49696 3.73165 2.22194 -76.98058 785.65133
5760.0000 -81.17294 -76.85334 4.31960 2.15703 -77.66177 714.28320
5765.0000 -80.91567 -77.62650 3.28917 2.21517 -77.05157 746.16724
5770.0000 -81.12541 -78.19968 2.92572 2.15337 -77.70023 699.20715
5775.0000 -81.26489 -78.28650 2.97838 2.08313 -78.43733 637.52135
5780.0000 -80.52242 -78.09448 2.42794 2.09265 -78.33747 629.73305
5785.0000 -81.56038 -78.31733 3.24305 2.15195 -77.71514 711.49093
5790.0000 -80.85738 -78.44044 2.41694 2.10460 -78.21205 685.35539
5795.0000 -79.94222 -76.89475 3.04748 2.12420 -78.00629 698.96769
5800.0000 -80.85290 -78.36066 2.49224 2.17265 -77.49780 735.87083
5805.0000 -82.30210 -78.86780 3.43430 2.05113 -78.77321 644.87970
5810.0000 -81.64430 -78.65563 2.98867 2.04727 -78.81372 640.46613
5815.0000 -80.62991 -78.25948 2.37043 2.07259 -78.54803 645.75520
5820.0000 -81.08693 -78.45783 2.62909 2.13678 -77.87428 655.20689
5825.0000 -81.02841 -78.55356 2.47485 2.08242 -78.44480 649.14373
5830.0000 -81.13572 -78.40583 2.72990 2.06143 -78.66511 630.40704
5835.0000 -82.04910 -79.45965 2.58945 2.00143 -79.29484 565.09296
5840.0000 -82.15830 -79.50425 2.65405 2.00125 -79.29671 597.25813
5845.0000 -80.01111 -76.89059 3.12052 2.11230 -78.13122 684.62597
5850.0000 -81.21359 -78.40609 2.80750 2.12019 -78.04848 698.64561
5855.0000 -81.22091 -78.07408 3.14682 2.10667 -78.19027 696.95815
5860.0000 -81.68327 -78.94695 2.73632 2.05938 -78.68659 618.49603
5865.0000 -80.88231 -77.39054 3.49177 2.07794 -78.49184 680.45140
5870.0000 -81.48873 -77.35403 4.13470 2.21613 -77.04152 791.26495
5875.0000 -81.57708 -78.73245 2.84463 2.10190 -78.24035 682.29225
5880.0000 -81.53638 -78.54555 2.99083 2.03440 -78.94885 622.25131
5885.0000 -81.92392 -78.78937 3.13456 2.02351 -79.06309 628.08317
5890.0000 -81.54670 -78.78994 2.75676 2.01461 -79.15653 609.49283
5895.0000 -82.45148 -78.50255 3.94893 2.04290 -78.85961 624.91550
5900.0000 -80.95428 -77.93506 3.01922 2.09925 -78.26818 677.08492
5905.0000 -80.47389 -77.67532 2.79857 2.12361 -78.01258 670.16472
5910.0000 -81.35207 -78.06291 3.28916 2.12312 -78.01766 687.70902
5915.0000 -81.60854 -78.41668 3.19186 2.10308 -78.22799 688.28620
5920.0000 -81.11422 -78.25098 2.86325 2.07979 -78.47244 661.43505
5925.0000 -81.06975 -78.64467 2.42508 2.08951 -78.37039 663.76493
5930.0000 -80.35119 -77.22544 3.12575 2.08212 -78.44794 642.25473
5935.0000 -80.67960 -77.94615 2.73345 2.12825 -77.96386 638.53765
5940.0000 -81.66273 -79.51826 2.14447 2.04304 -78.85809 598.12151
5945.0000 -81.60751 -78.63520 2.97231 2.02115 -79.08791 587.52518
5950.0000 -80.97970 -78.61483 2.36487 2.05179 -78.76630 617.41627
5955.0000 -80.76046 -78.09791 2.66256 2.11856 -78.06553 672.69298
5960.0000 -81.26545 -78.65347 2.61198 2.05183 -78.76590 637.81924
5965.0000 -81.59928 -78.87935 2.71993 2.05449 -78.73790 611.85332
5970.0000 -81.57922 -78.76250 2.81673 2.05628 -78.71913 655.32251
5975.0000 -81.25412 -78.14691 3.10721 2.07137 -78.56082 671.90640
5980.0000 -82.00317 -78.96582 3.03736 2.07065 -78.56839 675.43740
5985.0000 -81.98793 -79.61763 2.37030 2.00171 -79.29192 593.25027
5990.0000 -82.49808 -80.19207 2.30601 1.91867 -80.16337 539.21297
5995.0000 -82.27187 -79.32416 2.94772 1.94828 -79.85260 574.63061
6000.0000 -81.46423 -78.90906 2.55516 1.99773 -79.33362 579.80805
FREEZING PROCESS: loop number 25 T-loop= 632.00000000000000
main_MD> interactions number 25 at Temperature= 632.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49528 4.66495 -2.51337
force_rgl> df(natom) -1.38336 0.67804 1.80971
6005.0000 -82.17365 -79.83228 2.34137 1.98637 -79.45292 582.44722
6010.0000 -81.21420 -78.46272 2.75147 2.03536 -78.93874 635.09071
6015.0000 -81.26155 -78.27078 2.99077 2.10046 -78.25553 679.86998
6020.0000 -82.09733 -78.70246 3.39487 2.07185 -78.55579 643.74437
6025.0000 -81.72693 -78.96423 2.76269 2.05387 -78.74447 602.51404
6030.0000 -79.75821 -77.16213 2.59607 2.14109 -77.82907 700.20661
6035.0000 -81.55041 -78.17741 3.37301 2.15994 -77.63125 731.91827
6040.0000 -82.30119 -79.31075 2.99044 2.04502 -78.83731 659.41426
6045.0000 -81.69029 -78.62378 3.06650 2.06087 -78.67100 660.44208
6050.0000 -81.54067 -79.28830 2.25238 2.04258 -78.86299 645.81317
6055.0000 -81.94544 -79.79508 2.15036 2.01231 -79.18059 613.48079
6060.0000 -81.52171 -78.96413 2.55758 2.00816 -79.22419 593.46090
6065.0000 -81.36062 -78.50040 2.86022 2.08170 -78.45243 659.00446
6070.0000 -82.44922 -79.86366 2.58556 2.01783 -79.12273 632.36940
6075.0000 -82.74109 -80.27411 2.46698 1.91129 -80.24089 499.81507
6080.0000 -81.55747 -79.62010 1.93737 1.94002 -79.93934 537.26114
6085.0000 -80.59070 -78.90116 1.68954 1.99301 -79.38324 614.87127
6090.0000 -82.10367 -79.93077 2.17290 2.00606 -79.24622 574.88720
6095.0000 -81.17327 -78.23596 2.93731 1.99430 -79.36970 557.71638
6100.0000 -80.45344 -77.33128 3.12217 2.15201 -77.71451 722.90486
6105.0000 -81.17886 -77.03458 4.14429 2.17055 -77.51988 747.04370
6110.0000 -80.67114 -78.21774 2.45341 2.11678 -78.08424 684.88231
6115.0000 -82.31839 -79.53293 2.78545 2.03769 -78.91422 625.09610
6120.0000 -81.92555 -78.54298 3.38257 2.03339 -78.95943 650.29207
6125.0000 -83.01440 -80.80211 2.21229 1.97857 -79.53478 568.50513
6130.0000 -81.88179 -78.61394 3.26785 1.99435 -79.36913 616.29478
6135.0000 -81.65549 -78.68897 2.96652 2.01762 -79.12488 615.71816
6140.0000 -81.41414 -79.41400 2.00014 2.05062 -78.77855 625.88251
6145.0000 -82.39180 -79.43035 2.96145 1.99552 -79.35681 588.39484
6150.0000 -82.83358 -79.73676 3.09681 1.99972 -79.31273 583.95880
6155.0000 -81.27055 -78.43806 2.83249 1.98939 -79.42119 577.03580
6160.0000 -81.94157 -79.44812 2.49345 2.03442 -78.94861 611.31587
6165.0000 -81.61408 -78.76645 2.84764 2.00383 -79.26962 568.50315
6170.0000 -81.20074 -78.55076 2.64998 2.07511 -78.52153 623.85176
6175.0000 -81.05621 -78.06409 2.99212 2.06900 -78.58562 671.44169
6180.0000 -81.88589 -79.32281 2.56309 2.07566 -78.51572 658.61289
6185.0000 -82.01811 -79.75332 2.26478 1.98892 -79.42613 560.54869
6190.0000 -81.41416 -77.80614 3.60802 2.03385 -78.95462 619.24633
6195.0000 -81.07767 -78.11181 2.96585 2.08140 -78.45549 623.17687
6200.0000 -81.61928 -78.42907 3.19021 2.08914 -78.37434 640.34580
6205.0000 -81.30983 -78.02193 3.28791 2.11424 -78.11091 664.99792
6210.0000 -81.06040 -78.45500 2.60540 2.09869 -78.27409 654.78590
6215.0000 -81.45535 -78.78202 2.67333 2.07741 -78.49739 653.37891
6220.0000 -81.24227 -78.11667 3.12560 2.09677 -78.29425 687.94983
6225.0000 -80.50509 -77.88666 2.61843 2.10821 -78.17417 643.88604
6230.0000 -81.30641 -78.32513 2.98128 2.12882 -77.95787 683.41581
6235.0000 -81.95013 -79.08812 2.86202 2.07749 -78.49660 668.01286
6240.0000 -82.30963 -79.82231 2.48732 1.97290 -79.59428 557.12119
6245.0000 -81.07726 -78.61079 2.46647 2.03701 -78.92138 595.20531
6250.0000 -81.07537 -78.51635 2.55902 2.06467 -78.63112 612.49745
FREEZING PROCESS: loop number 26 T-loop= 607.00000000000000
main_MD> interactions number 26 at Temperature= 607.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.67823 1.48801 -0.92356
force_rgl> df(natom) -0.65287 -2.40329 -1.62907
6255.0000 -80.89170 -78.77897 2.11272 2.06729 -78.60365 613.77095
6260.0000 -81.65044 -79.10691 2.54354 2.09431 -78.32005 638.27731
6265.0000 -81.56687 -79.14122 2.42565 2.00520 -79.25528 585.95779
6270.0000 -81.95077 -79.22267 2.72810 1.98377 -79.48016 568.37875
6275.0000 -81.37928 -78.73133 2.64795 2.06900 -78.58564 646.98648
6280.0000 -81.52221 -78.86403 2.65818 2.05015 -78.78349 624.43719
6285.0000 -82.07587 -79.77136 2.30451 2.01846 -79.11610 636.89798
6290.0000 -82.16526 -79.71380 2.45146 1.92861 -80.05910 524.45562
6295.0000 -81.97956 -78.93170 3.04785 1.98493 -79.46799 579.85107
6300.0000 -82.68630 -79.75267 2.93363 2.00912 -79.21414 625.51496
6305.0000 -82.19319 -79.59963 2.59355 1.97634 -79.55819 588.24175
6310.0000 -81.62012 -78.93539 2.68472 2.01523 -79.15004 650.70228
6315.0000 -82.16748 -79.52867 2.63881 2.00185 -79.29038 607.54155
6320.0000 -81.74498 -79.47425 2.27073 1.98915 -79.42374 581.97782
6325.0000 -81.65709 -78.92594 2.73115 2.00687 -79.23773 624.96064
6330.0000 -81.45887 -79.46473 1.99414 2.00380 -79.26992 568.83539
6335.0000 -82.08273 -79.02636 3.05637 1.99035 -79.41112 585.85125
6340.0000 -81.68124 -78.94353 2.73771 2.02258 -79.07280 614.25252
6345.0000 -81.78163 -79.26808 2.51355 2.01533 -79.14899 617.19297
6350.0000 -81.94234 -80.01024 1.93210 1.95999 -79.72973 564.93928
6355.0000 -82.77741 -80.27820 2.49921 1.91483 -80.20373 532.05397
6360.0000 -82.01038 -79.45643 2.55394 1.94854 -79.84994 554.68849
6365.0000 -82.46832 -80.31679 2.15153 1.97759 -79.54507 579.39000
6370.0000 -81.67678 -79.72210 1.95469 1.92707 -80.07524 548.26073
6375.0000 -82.50423 -79.20079 3.30343 1.96379 -79.68981 578.78461
6380.0000 -81.80417 -79.29949 2.50468 2.02414 -79.05651 619.41661
6385.0000 -81.62892 -79.32528 2.30363 2.01344 -79.16877 586.01896
6390.0000 -81.57708 -79.53389 2.04319 2.00437 -79.26398 576.31147
6395.0000 -81.05137 -78.67072 2.38065 2.02323 -79.06607 591.38363
6400.0000 -81.29726 -78.78095 2.51632 2.06439 -78.63401 620.89672
6405.0000 -82.44088 -80.08690 2.35398 2.03645 -78.92726 623.37295
6410.0000 -81.62503 -79.71942 1.90561 1.97971 -79.52282 583.83693
6415.0000 -81.87160 -79.19769 2.67391 1.96400 -79.68768 573.89167
6420.0000 -82.11449 -79.64668 2.46781 2.00411 -79.26668 585.57831
6425.0000 -81.55916 -79.15014 2.40902 1.98698 -79.44647 579.35935
6430.0000 -81.30141 -78.31395 2.98746 2.08223 -78.44680 649.21776
6435.0000 -81.02916 -78.55663 2.47253 2.12552 -77.99251 697.26683
6440.0000 -82.38864 -79.90184 2.48680 2.03572 -78.93493 635.66835
6445.0000 -83.13782 -80.26191 2.87590 1.92684 -80.07767 557.33445
6450.0000 -82.27533 -80.17109 2.10424 1.94165 -79.92225 564.08022
6455.0000 -81.90765 -79.04491 2.86274 1.95573 -79.77443 540.72638
6460.0000 -82.32520 -79.67920 2.64600 2.01013 -79.20347 602.20293
6465.0000 -81.33201 -78.92175 2.41026 2.01452 -79.15748 627.76166
6470.0000 -81.30573 -78.20067 3.10506 2.02858 -79.00988 571.33366
6475.0000 -80.34340 -77.65324 2.69016 2.13874 -77.85372 698.20472
6480.0000 -81.47551 -78.66627 2.80924 2.13409 -77.90255 696.38411
6485.0000 -81.59953 -79.31333 2.28620 2.04604 -78.82664 619.36583
6490.0000 -81.87344 -79.12440 2.74904 2.00331 -79.27505 595.23891
6495.0000 -81.56440 -79.44067 2.12373 1.95750 -79.75592 536.27949
6500.0000 -81.50656 -78.45846 3.04809 2.04769 -78.80937 641.59593
FREEZING PROCESS: loop number 27 T-loop= 582.00000000000000
main_MD> interactions number 27 at Temperature= 582.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.11645 -0.16638 -0.16544
force_rgl> df(natom) 0.60492 -0.47133 0.26810
6505.0000 -81.80533 -79.31670 2.48863 2.01108 -79.19358 606.16920
6510.0000 -81.62591 -79.60300 2.02290 1.97535 -79.56855 545.27856
6515.0000 -81.44047 -78.66090 2.77958 2.03361 -78.95708 617.72030
6520.0000 -81.74119 -79.18094 2.56025 2.00618 -79.24499 594.97730
6525.0000 -81.21028 -79.05625 2.15403 1.99537 -79.35838 565.88462
6530.0000 -81.00764 -78.19368 2.81396 2.05408 -78.74225 606.45995
6535.0000 -81.40405 -78.58550 2.81855 2.07153 -78.55913 641.97257
6540.0000 -81.39274 -78.45506 2.93769 2.05912 -78.68932 577.97028
6545.0000 -82.07819 -79.86769 2.21050 2.01774 -79.12368 603.62640
6550.0000 -82.63799 -80.25066 2.38732 1.94372 -79.90054 540.66282
6555.0000 -82.40277 -79.82492 2.57785 1.94147 -79.92412 570.96699
6560.0000 -81.99072 -79.56167 2.42906 1.96712 -79.65493 582.98973
6565.0000 -82.05918 -79.34783 2.71135 1.93385 -80.00403 534.19309
6570.0000 -81.10717 -78.82576 2.28140 2.05449 -78.73798 652.88333
6575.0000 -81.96715 -79.57395 2.39320 1.98719 -79.44423 574.58276
6580.0000 -81.59751 -79.07251 2.52500 2.02519 -79.04546 606.77004
6585.0000 -81.91160 -79.31751 2.59409 1.99647 -79.34684 570.04681
6590.0000 -81.80238 -78.92170 2.88069 2.04085 -78.88113 629.60415
6595.0000 -81.94827 -79.24179 2.70649 2.02483 -79.04929 595.06072
6600.0000 -81.88050 -79.38427 2.49624 2.02245 -79.07425 591.28763
6605.0000 -81.52891 -78.94380 2.58511 1.97742 -79.54677 547.31780
6610.0000 -81.92011 -78.83335 3.08676 2.00579 -79.24905 579.74250
6615.0000 -81.15753 -78.88039 2.27714 2.05313 -78.75217 630.38462
6620.0000 -81.38927 -79.06402 2.32525 2.02056 -79.09409 574.49608
6625.0000 -81.87634 -79.81617 2.06017 2.01300 -79.17339 581.26996
6630.0000 -82.57789 -80.34942 2.22847 1.89354 -80.42715 469.84501
6635.0000 -82.13281 -79.68799 2.44482 1.99478 -79.36465 576.05410
6640.0000 -81.34835 -78.67192 2.67643 2.00316 -79.27670 588.10598
6645.0000 -81.31792 -78.84076 2.47717 2.04177 -78.87143 603.97409
6650.0000 -82.07771 -79.66370 2.41401 1.97118 -79.61227 568.61150
6655.0000 -82.22497 -79.80475 2.42021 1.96775 -79.64834 560.14025
6660.0000 -82.61362 -79.94852 2.66510 1.96245 -79.70387 567.89600
6665.0000 -83.02148 -80.58548 2.43600 1.90341 -80.32357 528.01617
6670.0000 -82.72241 -80.66600 2.05641 1.88703 -80.49548 488.90829
6675.0000 -82.05000 -79.29171 2.75829 1.90996 -80.25482 510.83514
6680.0000 -81.85200 -79.20738 2.64462 2.04697 -78.81683 668.98009
6685.0000 -80.94479 -78.53947 2.40532 2.05254 -78.75837 622.80805
6690.0000 -81.66257 -78.76107 2.90150 2.07375 -78.53579 676.71527
6695.0000 -82.15403 -79.13253 3.02150 2.02324 -79.06591 623.99541
6700.0000 -81.11045 -78.60103 2.50942 2.01130 -79.19127 619.36799
6705.0000 -81.64096 -78.24805 3.39291 2.08137 -78.45586 655.23499
6710.0000 -81.19295 -78.63111 2.56184 2.11091 -78.14582 687.01782
6715.0000 -81.85762 -79.32875 2.52887 1.99850 -79.32561 548.17204
6720.0000 -82.03829 -79.77023 2.26806 2.00396 -79.26831 627.41169
6725.0000 -81.83687 -79.61431 2.22256 1.97763 -79.54463 525.06224
6730.0000 -82.35414 -80.22177 2.13237 1.94069 -79.93230 544.19709
6735.0000 -82.55466 -80.16489 2.38977 1.93488 -79.99329 555.96726
6740.0000 -82.34860 -79.27849 3.07011 1.95366 -79.79616 567.52284
6745.0000 -82.67277 -80.59837 2.07439 1.94197 -79.91886 527.16289
6750.0000 -82.23573 -79.92551 2.31022 1.97090 -79.61522 575.64435
FREEZING PROCESS: loop number 28 T-loop= 557.00000000000000
main_MD> interactions number 28 at Temperature= 557.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.57679 -0.80734 -0.12082
force_rgl> df(natom) 3.15272 0.18671 -1.60473
6755.0000 -81.00856 -78.23652 2.77203 2.00905 -79.21484 613.51718
6760.0000 -82.21313 -79.33864 2.87449 2.00143 -79.29480 630.46231
6765.0000 -81.40167 -79.04352 2.35815 2.00123 -79.29689 577.47646
6770.0000 -82.77312 -80.55620 2.21692 1.98044 -79.51515 578.00829
6775.0000 -83.26840 -81.05847 2.20993 1.84397 -80.94736 459.69456
6780.0000 -83.09350 -81.01627 2.07723 1.80331 -81.37413 413.38189
6785.0000 -82.71261 -80.08869 2.62392 1.90325 -80.32527 536.55199
6790.0000 -82.35533 -80.47442 1.88091 1.89630 -80.39819 508.20179
6795.0000 -82.40943 -80.29318 2.11625 1.90701 -80.28579 494.37499
6800.0000 -82.05605 -79.01698 3.03907 1.94771 -79.85858 523.55525
6805.0000 -82.00232 -79.48039 2.52193 1.98504 -79.46686 575.47025
6810.0000 -81.46209 -79.02550 2.43658 2.02651 -79.03161 610.55033
6815.0000 -81.74164 -78.39754 3.34410 2.03792 -78.91188 614.41947
6820.0000 -81.83823 -78.73891 3.09932 2.06832 -78.59282 623.42289
6825.0000 -80.59287 -78.21724 2.37563 2.03434 -78.94940 597.21082
6830.0000 -82.00740 -79.29938 2.70802 2.07257 -78.54821 682.78838
6835.0000 -81.84668 -79.17003 2.67664 2.04087 -78.88094 622.40010
6840.0000 -82.24843 -79.06291 3.18552 2.02651 -79.03164 583.52994
6845.0000 -81.34717 -78.88358 2.46359 2.03409 -78.95209 625.73815
6850.0000 -82.28779 -79.20650 3.08129 2.00460 -79.26159 590.28238
6855.0000 -81.77239 -79.42772 2.34467 2.02511 -79.04627 608.08307
6860.0000 -81.44932 -78.86669 2.58263 2.00770 -79.22899 604.63281
6865.0000 -80.97988 -78.53552 2.44436 2.05976 -78.68264 654.80669
6870.0000 -81.01518 -78.65117 2.36400 2.04165 -78.87272 597.41205
6875.0000 -81.73036 -78.87410 2.85626 2.05965 -78.68385 612.08773
6880.0000 -81.88505 -79.48598 2.39907 2.01492 -79.15322 584.45140
6885.0000 -81.63541 -78.99914 2.63628 1.99833 -79.32734 583.92326
6890.0000 -81.58176 -79.10217 2.47959 2.00096 -79.29976 585.22542
6895.0000 -81.92434 -79.15125 2.77309 2.01827 -79.11806 622.13633
6900.0000 -81.27367 -78.69348 2.58019 2.02871 -79.00855 599.05365
6905.0000 -82.30948 -79.73669 2.57278 2.00346 -79.27349 548.77260
6910.0000 -81.63534 -79.50113 2.13421 1.95813 -79.74927 524.69083
6915.0000 -81.98987 -79.09604 2.89383 2.02953 -78.99991 616.12405
6920.0000 -81.50343 -78.78884 2.71459 2.04550 -78.83229 617.96777
6925.0000 -81.45638 -79.07184 2.38454 2.02385 -79.05954 556.11206
6930.0000 -81.26592 -79.12030 2.14562 2.01017 -79.20313 604.50307
6935.0000 -81.68979 -79.51525 2.17454 2.02034 -79.09632 594.05568
6940.0000 -82.31772 -80.38526 1.93246 1.90529 -80.30383 469.13081
6945.0000 -82.41433 -80.26434 2.14999 1.93628 -79.97856 531.94608
6950.0000 -82.74042 -80.40652 2.33391 1.89838 -80.37632 500.55320
6955.0000 -82.46557 -80.12189 2.34367 1.87199 -80.65327 483.73723
6960.0000 -82.27195 -80.30784 1.96411 1.93536 -79.98825 547.91750
6965.0000 -81.37059 -78.74477 2.62582 1.97052 -79.61927 530.81582
6970.0000 -81.53792 -78.70252 2.83540 2.04858 -78.79993 594.38390
6975.0000 -81.51151 -78.77888 2.73262 2.08500 -78.41773 659.79970
6980.0000 -81.99863 -79.31956 2.67907 1.99798 -79.33101 607.45087
6985.0000 -82.26935 -79.87610 2.39324 1.99402 -79.37263 630.29321
6990.0000 -81.99500 -79.36758 2.62742 1.99368 -79.37616 593.02457
6995.0000 -82.24304 -80.05054 2.19250 1.95783 -79.75237 545.57931
7000.0000 -81.20371 -79.39222 1.81149 1.96915 -79.63358 550.41909
FREEZING PROCESS: loop number 29 T-loop= 532.00000000000000
main_MD> interactions number 29 at Temperature= 532.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19804 -3.58994 -1.79358
force_rgl> df(natom) -0.15116 -1.24433 1.88033
7005.0000 -81.69013 -79.89439 1.79573 1.96446 -79.68281 535.75934
7010.0000 -82.30696 -80.31211 1.99485 1.92663 -80.07981 502.50011
7015.0000 -82.36463 -80.22507 2.13957 1.92879 -80.05721 509.25319
7020.0000 -81.93931 -79.54733 2.39198 1.93529 -79.98895 527.57740
7025.0000 -82.42485 -80.15896 2.26589 1.94176 -79.92105 518.74831
7030.0000 -82.50083 -80.31758 2.18324 1.91497 -80.20219 509.81141
7035.0000 -82.98769 -80.45565 2.53204 1.91362 -80.21636 509.90172
7040.0000 -82.55101 -80.32075 2.23026 1.88404 -80.52681 489.64368
7045.0000 -81.60522 -79.17439 2.43083 1.94861 -79.84917 539.93351
7050.0000 -81.96051 -79.54563 2.41489 1.97148 -79.60913 569.22512
7055.0000 -81.64372 -79.03924 2.60448 1.97018 -79.62282 575.47817
7060.0000 -82.01255 -79.95095 2.06161 1.98888 -79.42657 567.74643
7065.0000 -82.01357 -79.36582 2.64775 1.95229 -79.81050 533.85986
7070.0000 -82.12069 -79.32265 2.79803 1.99179 -79.39595 565.94453
7075.0000 -81.55488 -79.24785 2.30703 1.99735 -79.33764 585.98239
7080.0000 -82.01769 -79.07799 2.93970 1.96333 -79.69471 563.28969
7085.0000 -81.73988 -79.57651 2.16336 2.02216 -79.07731 620.27515
7090.0000 -82.04839 -79.56015 2.48824 1.97890 -79.53126 563.54138
7095.0000 -82.61535 -79.76609 2.84927 1.97528 -79.56924 556.28109
7100.0000 -82.69263 -80.13593 2.55670 1.96516 -79.67545 556.72745
7105.0000 -82.55456 -80.27659 2.27797 1.90874 -80.26766 518.43612
7110.0000 -82.74537 -80.51607 2.22930 1.90024 -80.35684 510.57959
7115.0000 -81.93533 -79.86977 2.06556 1.93634 -79.97793 553.27458
7120.0000 -82.44617 -80.07500 2.37117 1.90717 -80.28410 509.09266
7125.0000 -82.73443 -80.35006 2.38437 1.91051 -80.24906 524.19053
7130.0000 -82.46359 -80.43215 2.03144 1.86652 -80.71075 471.34591
7135.0000 -82.62584 -80.48359 2.14225 1.91851 -80.16511 516.58439
7140.0000 -82.59816 -80.18668 2.41149 1.89072 -80.45676 505.58576
7145.0000 -81.94213 -79.81764 2.12449 1.92930 -80.05182 520.90169
7150.0000 -81.75691 -80.16546 1.59145 1.95080 -79.82620 552.10814
7155.0000 -81.88010 -79.60150 2.27859 1.97348 -79.58815 580.15739
7160.0000 -82.39853 -80.33501 2.06351 1.93377 -80.00488 527.93597
7165.0000 -83.19313 -81.17472 2.01840 1.86398 -80.73742 473.50386
7170.0000 -82.77550 -80.97129 1.80421 1.84102 -80.97836 456.23250
7175.0000 -82.78344 -80.82263 1.96082 1.85979 -80.78133 459.94571
7180.0000 -82.50903 -80.09751 2.41152 1.88809 -80.48434 503.30089
7185.0000 -82.50382 -80.20127 2.30255 1.92732 -80.07260 513.73612
7190.0000 -82.10762 -80.05667 2.05095 1.91929 -80.15686 520.74609
7195.0000 -81.90827 -79.82507 2.08319 1.90833 -80.27195 524.76376
7200.0000 -82.11818 -79.73043 2.38776 1.91098 -80.24408 528.23401
7205.0000 -81.79610 -79.34263 2.45347 1.97782 -79.54261 563.20802
7210.0000 -82.68767 -80.29867 2.38899 1.90864 -80.26869 499.00109
7215.0000 -83.08825 -80.82267 2.26558 1.86962 -80.67813 471.66063
7220.0000 -82.48071 -80.35006 2.13065 1.86877 -80.68711 462.24980
7225.0000 -82.45975 -80.25892 2.20083 1.88333 -80.53433 481.72782
7230.0000 -82.51953 -80.14140 2.37813 1.91492 -80.20280 517.04264
7235.0000 -81.99207 -79.59532 2.39674 1.93291 -80.01395 545.21307
7240.0000 -81.56911 -79.55429 2.01482 1.98493 -79.46799 579.92423
7245.0000 -82.06128 -79.86613 2.19515 2.00535 -79.25365 598.43562
7250.0000 -81.22201 -78.84289 2.37911 1.95751 -79.75580 551.92292
FREEZING PROCESS: loop number 30 T-loop= 507.00000000000000
main_MD> interactions number 30 at Temperature= 507.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33413 1.29738 -3.41236
force_rgl> df(natom) 0.66888 2.61279 0.26360
7255.0000 -81.71253 -79.34555 2.36698 2.01756 -79.12555 601.18345
7260.0000 -82.15943 -80.22358 1.93586 1.93416 -80.00083 495.37827
7265.0000 -81.87308 -79.81537 2.05771 1.92287 -80.11935 494.10991
7270.0000 -82.53448 -80.76139 1.77309 1.91995 -80.14991 477.53783
7275.0000 -82.38155 -80.33438 2.04716 1.86828 -80.69229 434.56873
7280.0000 -81.76877 -80.01761 1.75117 1.90070 -80.35201 465.50560
7285.0000 -82.50471 -79.96089 2.54383 1.93511 -79.99082 516.39753
7290.0000 -81.51913 -79.16672 2.35241 1.97529 -79.56921 552.22362
7295.0000 -82.68967 -80.45817 2.23149 1.97456 -79.57680 569.43550
7300.0000 -82.37435 -79.95096 2.42339 1.92075 -80.14155 525.77791
7305.0000 -82.10787 -79.41755 2.69032 1.98260 -79.49241 587.27481
7310.0000 -82.33759 -80.22273 2.11485 1.96512 -79.67594 559.09144
7315.0000 -82.22778 -79.82120 2.40658 1.93414 -80.00099 525.22406
7320.0000 -82.46951 -80.75813 1.71137 1.90065 -80.35252 522.62295
7325.0000 -82.72251 -80.84930 1.87321 1.86202 -80.75790 475.13055
7330.0000 -82.71020 -80.26935 2.44086 1.91364 -80.21617 517.14615
7335.0000 -83.07343 -81.08826 1.98516 1.87506 -80.62110 497.18045
7340.0000 -82.72737 -80.20062 2.52675 1.90013 -80.35800 500.91179
7345.0000 -82.24232 -79.87814 2.36418 1.94514 -79.88555 555.83703
7350.0000 -82.31524 -79.54631 2.76893 1.99052 -79.40930 618.25052
7355.0000 -82.41669 -80.63221 1.78448 1.93341 -80.00866 561.97292
7360.0000 -82.62028 -80.81749 1.80280 1.89650 -80.39604 513.50552
7365.0000 -83.00987 -81.32115 1.68873 1.82101 -81.18839 417.71446
7370.0000 -82.64666 -80.68743 1.95923 1.84348 -80.95251 436.54733
7375.0000 -82.85552 -80.68993 2.16559 1.87106 -80.66311 484.08236
7380.0000 -82.42187 -79.99383 2.42803 1.92634 -80.08286 514.13340
7385.0000 -81.88366 -79.92415 1.95951 1.94309 -79.90707 507.64993
7390.0000 -82.47642 -80.20608 2.27034 1.94597 -79.87692 529.36151
7395.0000 -82.08808 -80.49591 1.59217 1.90872 -80.26781 498.04328
7400.0000 -82.34057 -80.35419 1.98638 1.88687 -80.49711 446.91779
7405.0000 -82.34591 -80.72459 1.62132 1.85909 -80.78871 459.37003
7410.0000 -82.15912 -79.87965 2.27947 1.89604 -80.40090 484.53572
7415.0000 -82.58652 -81.00989 1.57664 1.89999 -80.35949 499.83356
7420.0000 -82.81602 -80.85798 1.95804 1.84245 -80.96329 443.49451
7425.0000 -82.18226 -79.50849 2.67377 1.88024 -80.56670 472.17983
7430.0000 -81.63072 -79.36702 2.26369 1.98569 -79.46004 548.33541
7435.0000 -83.00115 -79.89392 3.10723 2.00600 -79.24690 591.17145
7440.0000 -82.69205 -80.27558 2.41647 1.91923 -80.15749 534.67120
7445.0000 -82.44758 -80.25232 2.19526 1.95464 -79.78591 562.34771
7450.0000 -82.75901 -80.36754 2.39147 1.90037 -80.35544 513.84671
7455.0000 -82.24425 -79.30614 2.93811 1.93105 -80.03350 513.53548
7460.0000 -82.35837 -80.11252 2.24585 1.97089 -79.61536 589.71614
7465.0000 -82.07315 -80.21636 1.85679 1.91948 -80.15495 525.43545
7470.0000 -82.18925 -79.52695 2.66231 1.91717 -80.17915 526.10427
7475.0000 -82.26235 -80.58920 1.67315 1.92866 -80.05856 500.13064
7480.0000 -82.21894 -79.49929 2.71965 1.88682 -80.49770 442.29129
7485.0000 -82.65545 -80.23428 2.42117 1.92409 -80.10647 519.30313
7490.0000 -82.67914 -80.84936 1.82977 1.91679 -80.18309 498.53535
7495.0000 -82.11677 -79.68090 2.43587 1.92795 -80.06604 541.40939
7500.0000 -82.66224 -80.14067 2.52156 1.93842 -79.95615 528.78813
FREEZING PROCESS: loop number 31 T-loop= 482.00000000000000
main_MD> interactions number 31 at Temperature= 482.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26649 -0.33511 0.50994
force_rgl> df(natom) 0.85904 0.37414 -0.03879
7505.0000 -82.73165 -80.45320 2.27845 1.94467 -79.89054 544.89539
7510.0000 -82.62906 -80.54410 2.08495 1.89569 -80.40461 485.09202
7515.0000 -82.23493 -79.80013 2.43480 1.89748 -80.38579 486.27450
7520.0000 -82.88677 -80.80408 2.08269 1.90353 -80.32226 507.98161
7525.0000 -82.53712 -80.53784 1.99928 1.86939 -80.68057 472.84889
7530.0000 -81.78244 -79.45353 2.32891 1.91126 -80.24115 496.58539
7535.0000 -81.96030 -79.24637 2.71394 2.00739 -79.23229 591.82196
7540.0000 -81.58497 -79.52890 2.05607 1.96257 -79.70269 564.38810
7545.0000 -82.25590 -79.83620 2.41970 1.93617 -79.97969 521.10982
7550.0000 -81.76242 -79.86015 1.90227 1.96122 -79.71688 553.07191
7555.0000 -82.66596 -80.03859 2.62737 1.94858 -79.84950 541.78956
7560.0000 -82.19500 -79.67330 2.52170 1.97180 -79.60575 564.80536
7565.0000 -82.35800 -79.51447 2.84353 1.95610 -79.77060 543.45606
7570.0000 -82.43141 -80.25300 2.17840 1.93766 -79.96408 536.45402
7575.0000 -82.34790 -80.03062 2.31728 1.93875 -79.95270 532.58157
7580.0000 -82.07277 -80.23661 1.83617 1.93369 -80.00578 524.18556
7585.0000 -82.79693 -80.32651 2.47041 1.92677 -80.07839 522.54916
7590.0000 -82.66082 -80.69125 1.96957 1.87636 -80.60748 459.70337
7595.0000 -83.09089 -80.85894 2.23195 1.83829 -81.00697 432.49809
7600.0000 -82.77351 -80.96732 1.80619 1.83313 -81.06110 426.45269
7605.0000 -82.06128 -80.06531 1.99596 1.87115 -80.66207 474.24287
7610.0000 -82.30214 -80.02550 2.27664 1.91833 -80.16693 514.61298
7615.0000 -82.61695 -80.43964 2.17731 1.91844 -80.16578 535.20399
7620.0000 -82.70299 -80.24464 2.45835 1.87754 -80.59504 477.83381
7625.0000 -82.69960 -80.09233 2.60727 1.91182 -80.23530 523.81977
7630.0000 -82.19109 -79.98650 2.20459 1.91271 -80.22599 521.46800
7635.0000 -82.16863 -79.99641 2.17222 1.90724 -80.28336 509.31540
7640.0000 -82.58804 -80.46918 2.11886 1.91103 -80.24359 488.15088
7645.0000 -82.41651 -80.23867 2.17784 1.90149 -80.34366 492.53023
7650.0000 -81.67295 -80.27930 1.39365 1.90860 -80.26906 514.65024
7655.0000 -82.97136 -81.05915 1.91221 1.85197 -80.86341 452.88234
7660.0000 -82.87613 -81.37350 1.50263 1.82018 -81.19706 414.59964
7665.0000 -82.67550 -80.54897 2.12654 1.86529 -80.72365 463.30106
7670.0000 -82.50325 -80.25523 2.24802 1.93020 -80.04237 530.53893
7675.0000 -82.66083 -80.18767 2.47316 1.90933 -80.26143 521.84889
7680.0000 -83.00088 -81.18470 1.81617 1.85752 -80.80521 470.85223
7685.0000 -82.45364 -80.25941 2.19423 1.86077 -80.77102 457.95899
7690.0000 -81.40464 -79.50175 1.90288 1.97089 -79.61536 553.80389
7695.0000 -81.95698 -79.18299 2.77399 1.98733 -79.44277 596.38226
7700.0000 -82.67037 -80.73573 1.93464 1.92616 -80.08484 528.23654
7705.0000 -82.84212 -80.68059 2.16153 1.89799 -80.38045 521.50673
7710.0000 -82.48476 -80.51402 1.97075 1.86309 -80.74675 458.97849
7715.0000 -82.86533 -81.17925 1.68608 1.87000 -80.67419 456.88776
7720.0000 -82.38490 -80.01519 2.36970 1.86778 -80.69752 473.20509
7725.0000 -82.95740 -80.27168 2.68572 1.92945 -80.05023 529.28169
7730.0000 -82.57958 -79.70595 2.87363 1.91679 -80.18312 521.55092
7735.0000 -82.75314 -80.94808 1.80507 1.88914 -80.47331 477.46886
7740.0000 -83.13812 -81.09487 2.04325 1.82541 -81.14221 409.04563
7745.0000 -82.72762 -80.61273 2.11489 1.84723 -80.91315 451.58459
7750.0000 -82.94233 -80.74559 2.19675 1.85060 -80.87784 459.27605
FREEZING PROCESS: loop number 32 T-loop= 457.00000000000000
main_MD> interactions number 32 at Temperature= 457.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.97925 -0.21139 0.78660
force_rgl> df(natom) 0.36276 1.57710 1.58427
7755.0000 -82.86777 -80.84494 2.02283 1.88167 -80.55172 506.24087
7760.0000 -82.73826 -80.95695 1.78131 1.84819 -80.90310 454.14211
7765.0000 -82.80398 -80.38974 2.41424 1.87631 -80.60795 477.19105
7770.0000 -82.91654 -80.82581 2.09073 1.87569 -80.61448 484.48976
7775.0000 -83.23712 -81.39646 1.84067 1.85734 -80.80703 462.53787
7780.0000 -83.12022 -80.89093 2.22929 1.82711 -81.12430 413.62887
7785.0000 -82.62376 -80.39240 2.23136 1.87449 -80.62706 462.07701
7790.0000 -82.90867 -80.93876 1.96991 1.88849 -80.48019 491.96092
7795.0000 -82.98373 -81.08079 1.90293 1.84367 -80.95056 447.08525
7800.0000 -82.98097 -81.00617 1.97480 1.85804 -80.79975 444.23737
7805.0000 -82.94477 -80.78743 2.15734 1.85472 -80.83459 457.79995
7810.0000 -82.85170 -80.45993 2.39177 1.88613 -80.50493 485.43528
7815.0000 -83.03064 -80.84968 2.18096 1.85327 -80.84976 456.72913
7820.0000 -82.71996 -80.81365 1.90632 1.86558 -80.72060 465.48852
7825.0000 -83.21216 -81.16797 2.04419 1.86063 -80.77255 460.60965
7830.0000 -83.18977 -81.21987 1.96991 1.82495 -81.14699 429.27459
7835.0000 -82.87993 -81.27940 1.60053 1.80703 -81.33506 419.39295
7840.0000 -82.65961 -80.56062 2.09899 1.87609 -80.61025 460.06348
7845.0000 -82.90665 -80.64586 2.26079 1.84098 -80.97876 435.30084
7850.0000 -82.71090 -80.35926 2.35164 1.86965 -80.67788 469.32634
7855.0000 -82.26374 -80.59375 1.66999 1.88497 -80.51703 501.41373
7860.0000 -83.27668 -80.73673 2.53995 1.88553 -80.51116 501.41334
7865.0000 -82.83504 -80.86667 1.96837 1.86873 -80.68752 485.26798
7870.0000 -82.87398 -80.87349 2.00049 1.85445 -80.83735 456.98255
7875.0000 -83.22054 -81.42248 1.79806 1.82290 -81.16846 423.87474
7880.0000 -82.90964 -81.24969 1.65995 1.80388 -81.36810 411.52042
7885.0000 -82.88652 -81.19385 1.69267 1.82810 -81.11396 432.02348
7890.0000 -82.82028 -81.10729 1.71300 1.81426 -81.25919 408.77854
7895.0000 -82.46305 -80.68746 1.77559 1.84802 -80.90490 446.68407
7900.0000 -83.17934 -81.49064 1.68869 1.85820 -80.79800 467.28812
7905.0000 -83.12459 -81.20911 1.91548 1.79726 -81.43763 393.48714
7910.0000 -83.14165 -81.15664 1.98500 1.81311 -81.27124 428.69159
7915.0000 -82.92738 -81.18952 1.73786 1.84226 -80.96530 452.25926
7920.0000 -83.01428 -81.53692 1.47736 1.81661 -81.23450 430.34844
7925.0000 -82.94963 -81.00850 1.94113 1.81223 -81.28049 420.86150
7930.0000 -83.17786 -81.26880 1.90906 1.84443 -80.94250 471.31018
7935.0000 -83.51491 -81.76120 1.75370 1.78046 -81.61388 396.50012
7940.0000 -83.19147 -81.27949 1.91198 1.80446 -81.36200 413.94793
7945.0000 -83.03500 -81.46715 1.56785 1.81395 -81.26239 410.40905
7950.0000 -83.35664 -80.93465 2.42199 1.78846 -81.52996 396.79180
7955.0000 -83.35427 -81.29823 2.05604 1.82192 -81.17879 448.77575
7960.0000 -82.65755 -80.86597 1.79157 1.81464 -81.25516 415.24427
7965.0000 -82.77139 -80.56870 2.20269 1.86412 -80.73593 466.46338
7970.0000 -82.24258 -79.75852 2.48407 1.88641 -80.50201 501.83270
7975.0000 -83.27330 -80.60986 2.66344 1.91522 -80.19958 529.94127
7980.0000 -82.52600 -80.88219 1.64381 1.84543 -80.93209 462.37459
7985.0000 -83.23215 -81.06390 2.16825 1.85070 -80.87679 457.95391
7990.0000 -82.45251 -80.18843 2.26408 1.90158 -80.34278 492.43000
7995.0000 -82.78167 -80.57939 2.20228 1.91348 -80.21786 516.07929
8000.0000 -82.64250 -80.49599 2.14651 1.86167 -80.76166 474.35149
FREEZING PROCESS: loop number 33 T-loop= 432.00000000000000
main_MD> interactions number 33 at Temperature= 432.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58861 -0.49133 -2.39244
force_rgl> df(natom) 4.58657 -3.05632 -2.18885
8005.0000 -83.09295 -81.35788 1.73506 1.83938 -80.99560 452.45525
8010.0000 -82.76866 -81.23280 1.53586 1.83235 -81.06930 442.51003
8015.0000 -83.03811 -81.02749 2.01062 1.87123 -80.66123 475.04780
8020.0000 -82.40848 -80.34331 2.06518 1.88121 -80.55655 458.43710
8025.0000 -82.76780 -80.72020 2.04760 1.87682 -80.60265 460.26171
8030.0000 -82.84120 -80.83074 2.01046 1.85056 -80.87826 445.50580
8035.0000 -82.77530 -80.58147 2.19383 1.86252 -80.75267 464.15128
8040.0000 -81.95391 -79.86066 2.09325 1.89999 -80.35942 495.50485
8045.0000 -82.62066 -80.84696 1.77370 1.88064 -80.56250 472.14433
8050.0000 -83.43373 -81.14079 2.29294 1.83497 -81.04181 440.45152
8055.0000 -82.39482 -80.68000 1.71483 1.83831 -81.00675 428.28267
8060.0000 -82.97365 -81.43896 1.53469 1.82096 -81.18889 425.89061
8065.0000 -82.85850 -80.73724 2.12127 1.83265 -81.06617 435.88731
8070.0000 -82.55085 -80.90504 1.64581 1.84234 -80.96449 443.76028
8075.0000 -82.35535 -80.26809 2.08726 1.88183 -80.55004 467.61557
8080.0000 -82.57206 -80.38342 2.18864 1.91032 -80.25108 490.03065
8085.0000 -82.90885 -80.53283 2.37602 1.89970 -80.36251 498.93057
8090.0000 -82.62408 -80.46309 2.16099 1.87222 -80.65095 490.45399
8095.0000 -82.71519 -80.53781 2.17739 1.85440 -80.83795 453.77316
8100.0000 -83.09158 -81.57300 1.51858 1.84813 -80.90369 442.23683
8105.0000 -82.59506 -80.70782 1.88724 1.81481 -81.25344 402.31417
8110.0000 -82.75022 -80.36939 2.38083 1.90415 -80.31584 493.80419
8115.0000 -82.48491 -80.90641 1.57851 1.87431 -80.62899 459.32707
8120.0000 -83.18919 -80.64173 2.54746 1.85726 -80.80793 457.47119
8125.0000 -83.27959 -81.35260 1.92699 1.82309 -81.16648 424.02021
8130.0000 -83.22094 -81.49242 1.72852 1.79724 -81.43783 384.64237
8135.0000 -82.79507 -80.96687 1.82821 1.77818 -81.63784 364.88871
8140.0000 -82.99592 -81.38948 1.60644 1.81000 -81.30385 410.76522
8145.0000 -83.19444 -80.95534 2.23910 1.80018 -81.40691 406.69710
8150.0000 -83.19985 -81.15796 2.04189 1.82275 -81.17006 431.69702
8155.0000 -82.84149 -80.69314 2.14835 1.85317 -80.85083 464.02508
8160.0000 -82.98163 -80.96692 2.01471 1.85069 -80.87683 469.53490
8165.0000 -82.90455 -81.25608 1.64847 1.82023 -81.19656 442.32141
8170.0000 -82.98525 -81.51403 1.47122 1.78167 -81.60119 394.06255
8175.0000 -83.35210 -81.58425 1.76786 1.78800 -81.53477 398.95477
8180.0000 -82.80608 -80.61006 2.19602 1.83663 -81.02440 453.43800
8185.0000 -83.26077 -81.52718 1.73359 1.82594 -81.13663 431.81602
8190.0000 -83.09956 -81.22246 1.87710 1.83005 -81.09346 433.23199
8195.0000 -83.17839 -81.39641 1.78198 1.81579 -81.24313 437.31532
8200.0000 -83.15775 -81.06117 2.09659 1.83745 -81.01578 455.43313
8205.0000 -83.07021 -81.30063 1.76958 1.81681 -81.23243 431.54826
8210.0000 -82.54976 -80.61911 1.93065 1.85268 -80.85595 462.28599
8215.0000 -82.76257 -80.62092 2.14165 1.87809 -80.58929 485.69085
8220.0000 -82.72350 -80.91762 1.80588 1.87531 -80.61846 491.68236
8225.0000 -83.19740 -80.78713 2.41027 1.84738 -80.91164 467.10814
8230.0000 -83.30875 -81.64164 1.66711 1.79848 -81.42479 410.43924
8235.0000 -83.25307 -81.44176 1.81132 1.80449 -81.36171 406.52828
8240.0000 -83.26020 -81.26934 1.99086 1.81649 -81.23575 423.29470
8245.0000 -83.30509 -81.63340 1.67169 1.79564 -81.45463 408.87560
8250.0000 -82.78447 -80.61126 2.17321 1.85246 -80.85831 462.81214
FREEZING PROCESS: loop number 34 T-loop= 407.00000000000000
main_MD> interactions number 34 at Temperature= 407.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.12843 -5.53865 -2.82193
force_rgl> df(natom) -2.07157 0.85282 0.02132
8255.0000 -83.30396 -81.61105 1.69291 1.84102 -80.97835 439.47340
8260.0000 -83.34520 -81.82822 1.51699 1.76432 -81.78327 368.13373
8265.0000 -83.48321 -81.54242 1.94079 1.76836 -81.74095 376.93712
8270.0000 -83.74769 -81.82045 1.92723 1.80408 -81.36598 420.30759
8275.0000 -82.94797 -81.39455 1.55343 1.78497 -81.56661 391.66531
8280.0000 -82.70240 -80.39154 2.31086 1.86715 -80.70411 462.56371
8285.0000 -82.79884 -81.00952 1.78932 1.88666 -80.49935 493.22881
8290.0000 -82.88503 -81.04529 1.83975 1.83223 -81.07055 444.93305
8295.0000 -83.39026 -81.56063 1.82963 1.82087 -81.18985 434.83183
8300.0000 -83.44823 -81.54967 1.89856 1.78777 -81.53724 403.20032
8305.0000 -83.88922 -82.44480 1.44442 1.72190 -82.22853 331.57773
8310.0000 -83.58831 -82.20531 1.38299 1.74721 -81.96284 361.28858
8315.0000 -83.29579 -81.75850 1.53728 1.74118 -82.02616 354.82383
8320.0000 -83.01519 -81.28425 1.73093 1.78504 -81.56581 382.29263
8325.0000 -83.01072 -80.82284 2.18787 1.83193 -81.07377 431.70016
8330.0000 -82.49904 -80.49370 2.00534 1.89966 -80.36292 496.77008
8335.0000 -82.87697 -81.26513 1.61184 1.82280 -81.16957 431.06162
8340.0000 -82.94463 -81.03941 1.90523 1.82561 -81.14008 413.85571
8345.0000 -83.13882 -80.89532 2.24350 1.82653 -81.13043 445.85273
8350.0000 -83.20742 -81.35210 1.85532 1.82627 -81.13313 442.40396
8355.0000 -82.99189 -81.08976 1.90213 1.84150 -80.97329 461.94903
8360.0000 -83.19643 -81.43436 1.76207 1.77179 -81.70488 376.68767
8365.0000 -83.17126 -81.30929 1.86197 1.79662 -81.44434 424.06060
8370.0000 -83.06065 -81.30535 1.75530 1.83758 -81.01442 450.47962
8375.0000 -83.68273 -81.81930 1.86343 1.80021 -81.40668 407.89947
8380.0000 -82.64150 -81.11917 1.52233 1.78873 -81.52711 398.38656
8385.0000 -82.16546 -80.16171 2.00375 1.86145 -80.76397 483.50366
8390.0000 -82.17731 -80.30246 1.87485 1.90103 -80.34855 482.50495
8395.0000 -82.46516 -80.69861 1.76655 1.88972 -80.46718 487.99979
8400.0000 -83.13587 -80.82899 2.30688 1.85691 -80.81157 426.22175
8405.0000 -83.61955 -81.45717 2.16238 1.85221 -80.86089 470.89838
8410.0000 -82.84141 -81.46144 1.37997 1.80561 -81.35001 397.41417
8415.0000 -83.04150 -81.30670 1.73480 1.80425 -81.36429 407.50064
8420.0000 -83.15995 -81.27393 1.88602 1.81038 -81.29993 410.91116
8425.0000 -83.05252 -81.18378 1.86874 1.77955 -81.62350 376.00019
8430.0000 -83.12985 -81.24723 1.88263 1.81283 -81.27421 419.02261
8435.0000 -83.27377 -81.29776 1.97601 1.81050 -81.29870 420.11213
8440.0000 -83.56421 -81.66562 1.89859 1.79344 -81.47773 402.77959
8445.0000 -82.68854 -80.57569 2.11285 1.83186 -81.07447 435.49528
8450.0000 -83.13740 -81.45542 1.68198 1.81645 -81.23622 427.91773
8455.0000 -83.10644 -81.02418 2.08226 1.83014 -81.09258 438.35807
8460.0000 -83.05757 -81.44655 1.61102 1.81032 -81.30052 409.28147
8465.0000 -83.68863 -82.00750 1.68114 1.78687 -81.54667 394.04466
8470.0000 -83.22659 -81.51708 1.70951 1.76203 -81.80734 361.31049
8475.0000 -83.07854 -81.38721 1.69133 1.79458 -81.46578 383.49188
8480.0000 -82.89323 -81.16291 1.73032 1.79170 -81.49599 372.20360
8485.0000 -82.83064 -81.08992 1.74072 1.81941 -81.20509 422.74595
8490.0000 -82.87815 -80.75915 2.11900 1.83377 -81.05440 447.92523
8495.0000 -83.19101 -81.20775 1.98326 1.83243 -81.06845 440.17291
8500.0000 -83.15945 -81.67754 1.48191 1.80017 -81.40703 391.49757
FREEZING PROCESS: loop number 35 T-loop= 382.00000000000000
main_MD> interactions number 35 at Temperature= 382.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76133 -1.66754 0.16690
force_rgl> df(natom) -0.42430 -0.92770 0.94193
8505.0000 -83.32438 -81.46838 1.85600 1.78274 -81.58998 386.22917
8510.0000 -83.49718 -81.56151 1.93567 1.78151 -81.60287 377.69178
8515.0000 -83.10792 -81.56120 1.54672 1.77622 -81.65842 368.96192
8520.0000 -82.42298 -80.91389 1.50909 1.81630 -81.23782 403.92398
8525.0000 -83.05471 -81.39154 1.66317 1.81031 -81.30063 365.28301
8530.0000 -82.54356 -81.08246 1.46109 1.82465 -81.15018 401.56019
8535.0000 -83.31936 -81.88395 1.43542 1.79721 -81.43812 376.41851
8540.0000 -82.57197 -81.38705 1.18492 1.80398 -81.36708 366.20524
8545.0000 -83.15507 -81.39488 1.76019 1.79682 -81.44224 387.52643
8550.0000 -83.03832 -81.36543 1.67289 1.81287 -81.27374 409.01421
8555.0000 -83.17700 -81.79466 1.38233 1.75055 -81.92781 340.01790
8560.0000 -83.56210 -81.52466 2.03745 1.77006 -81.72310 362.14085
8565.0000 -83.19821 -81.43147 1.76675 1.80481 -81.35837 407.76640
8570.0000 -83.39012 -81.68550 1.70462 1.76524 -81.77367 359.64575
8575.0000 -83.47740 -82.08750 1.38990 1.76010 -81.82762 375.94350
8580.0000 -83.61538 -81.77763 1.83775 1.74704 -81.96472 357.35490
8585.0000 -84.03137 -82.33797 1.69341 1.74828 -81.95169 357.60282
8590.0000 -83.38121 -81.83795 1.54326 1.75587 -81.87194 371.56468
8595.0000 -83.55177 -82.00084 1.55092 1.77337 -81.68834 384.05819
8600.0000 -83.27941 -81.56506 1.71436 1.75155 -81.91736 357.64591
8605.0000 -82.72050 -81.49631 1.22420 1.78583 -81.55761 387.94775
8610.0000 -82.87355 -81.21127 1.66228 1.80262 -81.38139 409.59049
8615.0000 -83.45342 -81.33816 2.11526 1.79215 -81.49126 398.47240
8620.0000 -82.95879 -81.30943 1.64936 1.81221 -81.28072 428.86049
8625.0000 -83.25846 -81.38524 1.87322 1.81301 -81.27228 426.28408
8630.0000 -83.40470 -81.73884 1.66586 1.77189 -81.70381 379.15011
8635.0000 -83.37123 -81.86814 1.50309 1.75810 -81.84855 362.33418
8640.0000 -83.24609 -81.31494 1.93115 1.77749 -81.64510 376.52256
8645.0000 -83.14826 -81.13242 2.01584 1.82898 -81.10468 444.33454
8650.0000 -83.09166 -81.46464 1.62702 1.81609 -81.23997 400.40946
8655.0000 -83.00266 -81.36111 1.64154 1.78421 -81.57461 377.18177
8660.0000 -83.06269 -81.45925 1.60343 1.79391 -81.47274 397.15952
8665.0000 -83.04820 -81.44892 1.59928 1.78874 -81.52699 386.55030
8670.0000 -83.13218 -81.23273 1.89946 1.77836 -81.63599 393.97223
8675.0000 -83.67176 -81.75013 1.92163 1.78999 -81.51391 403.52629
8680.0000 -83.73739 -82.11746 1.61993 1.76101 -81.81803 362.57917
8685.0000 -83.83787 -82.20443 1.63344 1.74682 -81.96701 355.38705
8690.0000 -83.59169 -82.18139 1.41030 1.74256 -82.01164 342.94416
8695.0000 -83.45727 -82.25922 1.19805 1.73182 -82.12436 318.19860
8700.0000 -83.37792 -81.55607 1.82185 1.78898 -81.52455 400.17751
8705.0000 -83.80400 -82.13050 1.67350 1.79072 -81.50627 406.88593
8710.0000 -83.56803 -81.87793 1.69009 1.74979 -81.93577 357.73689
8715.0000 -83.21920 -81.59690 1.62230 1.77501 -81.67107 383.14632
8720.0000 -83.28863 -81.72226 1.56637 1.77097 -81.71349 390.16196
8725.0000 -83.50483 -81.64018 1.86465 1.74221 -82.01531 342.95781
8730.0000 -83.17261 -81.54166 1.63096 1.79719 -81.43835 403.23699
8735.0000 -83.58832 -81.93559 1.65273 1.77369 -81.68495 369.15735
8740.0000 -83.37211 -81.41229 1.95982 1.78539 -81.56223 396.97732
8745.0000 -83.17292 -81.29978 1.87314 1.81328 -81.26943 410.88539
8750.0000 -83.27874 -81.45592 1.82282 1.79205 -81.49224 401.01970
FREEZING PROCESS: loop number 36 T-loop= 357.00000000000000
main_MD> interactions number 36 at Temperature= 357.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.75810 3.33217 -1.25836
force_rgl> df(natom) -0.89109 0.40116 -0.75782
8755.0000 -83.07287 -81.44511 1.62776 1.79611 -81.44971 390.45201
8760.0000 -83.15797 -81.41357 1.74440 1.78577 -81.55815 399.16807
8765.0000 -83.03747 -81.47648 1.56099 1.78220 -81.59568 390.02706
8770.0000 -83.54484 -81.56548 1.97936 1.77834 -81.63621 379.66440
8775.0000 -83.54366 -81.70287 1.84079 1.76768 -81.74800 375.43596
8780.0000 -83.25872 -81.75360 1.50512 1.77741 -81.64595 392.36054
8785.0000 -83.81401 -82.08667 1.72734 1.77389 -81.68292 374.99223
8790.0000 -83.33062 -82.03725 1.29337 1.72554 -82.19028 326.18264
8795.0000 -83.86079 -82.14360 1.71719 1.75478 -81.88347 370.68310
8800.0000 -83.56521 -81.98451 1.58070 1.74008 -82.03772 338.04609
8805.0000 -83.80814 -82.51298 1.29516 1.72221 -82.22521 321.28572
8810.0000 -83.72439 -82.18998 1.53441 1.70792 -82.37528 307.37365
8815.0000 -83.42348 -81.75814 1.66534 1.79085 -81.50491 394.94540
8820.0000 -83.38336 -81.95018 1.43318 1.77207 -81.70197 378.93108
8825.0000 -83.78260 -82.23113 1.55148 1.73058 -82.13744 327.24196
8830.0000 -83.52982 -82.34931 1.18051 1.71033 -82.34993 313.09062
8835.0000 -83.21426 -81.71187 1.50239 1.73815 -82.05798 340.90381
8840.0000 -83.66051 -81.21468 2.44583 1.80588 -81.34716 402.15434
8845.0000 -83.74921 -82.06340 1.68581 1.77188 -81.70393 382.66568
8850.0000 -83.38746 -82.09090 1.29655 1.75148 -81.91808 359.13124
8855.0000 -83.30521 -81.84153 1.46369 1.76335 -81.79347 367.49319
8860.0000 -83.63650 -81.66596 1.97054 1.75086 -81.92453 361.81762
8865.0000 -83.30211 -81.75543 1.54668 1.75566 -81.87418 361.98477
8870.0000 -83.57738 -81.87121 1.70617 1.76662 -81.75913 370.28696
8875.0000 -83.14959 -81.52249 1.62710 1.77785 -81.64136 386.27356
8880.0000 -83.30063 -81.71552 1.58511 1.77805 -81.63916 387.06037
8885.0000 -83.46548 -81.81208 1.65339 1.77973 -81.62161 370.56896
8890.0000 -83.54830 -82.21452 1.33378 1.73191 -82.12343 329.42778
8895.0000 -83.40775 -81.97165 1.43610 1.73749 -82.06487 337.75889
8900.0000 -83.78692 -82.30807 1.47885 1.71685 -82.28155 320.14146
8905.0000 -84.12957 -82.45827 1.67130 1.70985 -82.35503 320.71519
8910.0000 -83.61555 -82.23056 1.38498 1.71382 -82.31335 321.51278
8915.0000 -83.70416 -82.34788 1.35628 1.71687 -82.28131 324.43672
8920.0000 -83.82048 -82.06142 1.75906 1.74353 -82.00154 358.30307
8925.0000 -83.54271 -81.83172 1.71098 1.73666 -82.07360 346.59050
8930.0000 -83.60740 -82.06890 1.53851 1.73040 -82.13926 336.24966
8935.0000 -83.57745 -82.23558 1.34187 1.74762 -81.95856 352.76055
8940.0000 -83.55355 -81.92212 1.63143 1.76385 -81.78824 366.13909
8945.0000 -83.40338 -81.84275 1.56062 1.73468 -82.09442 341.95754
8950.0000 -83.41583 -81.77555 1.64028 1.77417 -81.67996 371.96894
8955.0000 -83.47058 -81.91307 1.55750 1.75875 -81.84178 363.08026
8960.0000 -83.55197 -82.15598 1.39599 1.73036 -82.13977 311.98774
8965.0000 -83.24085 -81.77209 1.46877 1.75553 -81.87556 356.04792
8970.0000 -83.34865 -81.60214 1.74650 1.77030 -81.72054 372.52368
8975.0000 -83.83933 -82.37204 1.46729 1.73872 -82.05203 332.08635
8980.0000 -83.57959 -82.27374 1.30585 1.70236 -82.43356 301.32772
8985.0000 -83.44577 -81.99297 1.45280 1.71430 -82.30827 304.75842
8990.0000 -83.16493 -81.49918 1.66575 1.77041 -81.71938 366.95473
8995.0000 -83.23078 -81.39233 1.83845 1.76168 -81.81099 352.04892
9000.0000 -83.42708 -81.85150 1.57557 1.77542 -81.66681 367.57188
FREEZING PROCESS: loop number 37 T-loop= 332.00000000000000
main_MD> interactions number 37 at Temperature= 332.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36953 1.35884 -0.89693
force_rgl> df(natom) 0.48024 1.46283 -0.19239
9005.0000 -83.63109 -82.29333 1.33776 1.73917 -82.04726 336.57789
9010.0000 -83.50017 -82.01913 1.48103 1.73128 -82.13005 331.35621
9015.0000 -83.57390 -82.14613 1.42778 1.73321 -82.10984 337.58232
9020.0000 -83.71811 -82.06301 1.65510 1.73891 -82.05002 343.47300
9025.0000 -83.83950 -82.48913 1.35038 1.72292 -82.21776 328.98537
9030.0000 -83.69461 -81.95200 1.74260 1.71471 -82.30402 325.72882
9035.0000 -83.43792 -82.00605 1.43187 1.72868 -82.15732 327.67639
9040.0000 -83.72649 -81.91493 1.81157 1.74009 -82.03762 336.03553
9045.0000 -83.27492 -82.10839 1.16653 1.75750 -81.85488 338.78895
9050.0000 -83.93528 -82.20114 1.73414 1.74338 -82.00311 338.83405
9055.0000 -83.61032 -82.23800 1.37232 1.70802 -82.37414 308.50565
9060.0000 -83.60234 -81.92372 1.67862 1.72863 -82.15785 339.16381
9065.0000 -83.82080 -82.02163 1.79917 1.75771 -81.85273 368.54647
9070.0000 -83.79659 -81.63224 2.16436 1.75936 -81.83532 377.56249
9075.0000 -83.52703 -82.10609 1.42094 1.76010 -81.82763 374.22212
9080.0000 -83.55236 -81.65966 1.89270 1.74766 -81.95819 360.86411
9085.0000 -83.57851 -82.11756 1.46095 1.77576 -81.66320 383.57460
9090.0000 -83.61700 -82.24385 1.37315 1.74627 -81.97272 357.19079
9095.0000 -83.57377 -81.83038 1.74339 1.72803 -82.16415 340.95418
9100.0000 -83.58534 -81.90804 1.67730 1.73618 -82.07869 341.19770
9105.0000 -83.32509 -82.01224 1.31285 1.72942 -82.14961 311.95863
9110.0000 -83.60300 -82.45060 1.15240 1.72675 -82.17761 314.33956
9115.0000 -83.47002 -82.10025 1.36977 1.69602 -82.50017 286.77231
9120.0000 -84.05856 -82.53248 1.52608 1.70673 -82.38768 306.11466
9125.0000 -83.38637 -82.17472 1.21165 1.71474 -82.30362 316.00881
9130.0000 -83.70038 -82.46740 1.23298 1.69506 -82.51018 289.85312
9135.0000 -83.73580 -82.45788 1.27792 1.68796 -82.58475 294.77325
9140.0000 -84.22982 -82.98886 1.24097 1.68679 -82.59695 286.88806
9145.0000 -84.11332 -82.71474 1.39859 1.68235 -82.64362 284.20417
9150.0000 -83.73444 -82.03093 1.70351 1.73315 -82.11049 340.49556
9155.0000 -84.15019 -82.42304 1.72716 1.73455 -82.09571 334.04661
9160.0000 -83.61485 -82.16088 1.45397 1.73562 -82.08447 327.86445
9165.0000 -83.27061 -81.92978 1.34083 1.74487 -81.98741 325.14853
9170.0000 -83.25671 -81.71982 1.53689 1.75049 -81.92844 343.53736
9175.0000 -83.31909 -81.82491 1.49418 1.76598 -81.76590 357.95289
9180.0000 -83.54123 -81.99550 1.54573 1.76783 -81.74649 357.52429
9185.0000 -83.10388 -81.90971 1.19417 1.75898 -81.83940 352.71943
9190.0000 -83.59510 -82.37973 1.21537 1.73723 -82.06757 332.32320
9195.0000 -83.83806 -82.41740 1.42066 1.70129 -82.44480 298.22838
9200.0000 -84.03285 -82.84418 1.18868 1.68743 -82.59024 282.41586
9205.0000 -83.78718 -82.35787 1.42931 1.67373 -82.73406 267.40466
9210.0000 -83.90971 -82.28529 1.62442 1.72250 -82.22227 323.48702
9215.0000 -83.09882 -81.66386 1.43496 1.73706 -82.06943 345.57872
9220.0000 -83.57505 -81.98445 1.59061 1.78390 -81.57787 377.57690
9225.0000 -83.79265 -82.47609 1.31657 1.72012 -82.24720 327.71439
9230.0000 -83.67411 -82.57851 1.09560 1.70351 -82.42149 304.73901
9235.0000 -83.47509 -81.74834 1.72676 1.70822 -82.37204 315.98379
9240.0000 -83.84140 -82.22494 1.61646 1.75511 -81.87996 358.43731
9245.0000 -83.68462 -82.38874 1.29588 1.70168 -82.44074 296.62105
9250.0000 -83.76420 -82.17717 1.58704 1.71412 -82.31019 316.26568
FREEZING PROCESS: loop number 38 T-loop= 307.00000000000000
main_MD> interactions number 38 at Temperature= 307.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65148 2.79198 -0.77283
force_rgl> df(natom) 0.79773 0.41633 -0.59520
9255.0000 -83.43469 -82.01295 1.42174 1.73306 -82.11144 334.47925
9260.0000 -83.54542 -82.13629 1.40913 1.74272 -82.01004 339.18370
9265.0000 -83.83999 -82.38983 1.45016 1.72114 -82.23651 306.14813
9270.0000 -83.90381 -82.17874 1.72506 1.72771 -82.16754 313.35915
9275.0000 -83.26718 -82.16814 1.09904 1.72010 -82.24736 309.52815
9280.0000 -83.76616 -82.77447 0.99168 1.72808 -82.16362 315.14615
9285.0000 -84.11922 -82.66281 1.45641 1.68377 -82.62872 269.35634
9290.0000 -83.44536 -81.90722 1.53814 1.69116 -82.55108 275.81501
9295.0000 -83.41961 -81.68660 1.73301 1.74480 -81.98813 332.55486
9300.0000 -83.52943 -81.74871 1.78072 1.76027 -81.82585 346.30579
9305.0000 -83.85734 -82.46075 1.39658 1.74440 -81.99237 342.55245
9310.0000 -83.45104 -82.25186 1.19918 1.71148 -82.33783 294.90985
9315.0000 -83.68606 -82.42195 1.26412 1.73005 -82.14298 315.40163
9320.0000 -83.83575 -82.61683 1.21892 1.69907 -82.46815 279.66380
9325.0000 -83.90479 -82.12843 1.77636 1.72369 -82.20976 315.58822
9330.0000 -83.60476 -82.50251 1.10226 1.69764 -82.48311 287.47468
9335.0000 -83.68654 -82.67192 1.01463 1.70510 -82.40484 285.54887
9340.0000 -83.75136 -82.54532 1.20604 1.69871 -82.47191 295.40853
9345.0000 -83.70303 -82.38221 1.32082 1.70572 -82.39831 308.32947
9350.0000 -84.02287 -82.31861 1.70426 1.72787 -82.16585 337.08176
9355.0000 -83.72372 -82.40524 1.31847 1.72276 -82.21951 332.65151
9360.0000 -83.84284 -82.59273 1.25011 1.68055 -82.66243 282.58007
9365.0000 -84.03332 -82.82636 1.20696 1.67666 -82.70329 279.51393
9370.0000 -83.75060 -82.50128 1.24932 1.68409 -82.62531 286.44205
9375.0000 -83.93012 -82.16547 1.76465 1.69614 -82.49890 303.01156
9380.0000 -83.58036 -82.18548 1.39488 1.71347 -82.31699 319.43807
9385.0000 -83.62125 -82.46686 1.15440 1.70911 -82.36272 311.24622
9390.0000 -83.91095 -82.56776 1.34319 1.69857 -82.47333 306.46884
9395.0000 -83.91562 -82.41436 1.50126 1.69027 -82.56051 294.75133
9400.0000 -84.05540 -82.47683 1.57856 1.69135 -82.54910 295.67030
9405.0000 -83.84439 -82.64016 1.20423 1.70023 -82.45599 301.44773
9410.0000 -84.07066 -82.74154 1.32912 1.68466 -82.61932 274.52797
9415.0000 -83.52658 -82.40284 1.12374 1.70415 -82.41481 290.18401
9420.0000 -83.52262 -82.20099 1.32163 1.70908 -82.36301 295.66929
9425.0000 -84.04937 -82.78156 1.26781 1.69664 -82.49358 282.00492
9430.0000 -83.81483 -82.67002 1.14481 1.69067 -82.55625 277.91827
9435.0000 -83.83216 -82.42944 1.40272 1.70209 -82.43644 291.21946
9440.0000 -83.56717 -82.51605 1.05112 1.70946 -82.35905 307.72129
9445.0000 -83.81767 -82.46930 1.34836 1.70135 -82.44414 298.45635
9450.0000 -83.80354 -82.48820 1.31533 1.70593 -82.39613 292.49315
9455.0000 -83.92254 -82.76146 1.16107 1.70911 -82.36271 294.58175
9460.0000 -83.60101 -82.34662 1.25439 1.69151 -82.54745 294.06300
9465.0000 -83.35889 -81.89879 1.46010 1.70839 -82.37034 305.93910
9470.0000 -83.52214 -82.25380 1.26833 1.71311 -82.32072 314.28979
9475.0000 -83.23839 -81.73128 1.50711 1.74916 -81.94244 355.94855
9480.0000 -84.01797 -82.60195 1.41601 1.72720 -82.17288 322.64852
9485.0000 -83.78961 -82.59058 1.19903 1.69086 -82.55429 284.99284
9490.0000 -83.73760 -82.31535 1.42225 1.70513 -82.40450 304.30446
9495.0000 -83.80347 -81.92984 1.87363 1.72994 -82.14408 333.27264
9500.0000 -83.66908 -82.15003 1.51905 1.73563 -82.08440 341.14345
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 6 [min], 6.3530984 [s].
main_MD> Deallocating global variables
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