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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_47/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_47.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 = 47 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 47 4700
main_MD> Size of nv and nvoiz: 47 4700
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 = 47
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> -2.0857723891380190E-002 -0.13113558561404615 -9.5355438319586941E-002 initial drift of cluster / NP1 for coalescence
init> 0.38119580775714801 0.35761995348719605 0.32779387028060086 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7822349552934422E-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) 2.74839 -3.08791 3.72194
force_rgl> df(natom) 0.79796 2.20195 2.29318
preparo> THERMALIZATION PROCESS AT 1240.6963004749357
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -97.336917069869955 7.9373868597458577 -105.27430392961581 6.8489591160204432E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1216.0000000000000
main_MD> interactions number 1 at Temperature= 1216.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33511 -0.13441 -1.80690
force_rgl> df(natom) -0.11741 0.05246 1.47321
5.0000 -108.46527 -100.30512 8.16015 3.08687 -98.44779 1363.97442
10.0000 -107.42188 -99.83251 7.58937 2.94829 -100.25252 1240.69270
15.0000 -104.67208 -97.74139 6.93068 3.12534 -97.94671 1324.93152
20.0000 -108.77584 -102.42196 6.35388 2.88589 -101.06523 1179.95993
25.0000 -108.42107 -101.16622 7.25485 2.87323 -101.23012 1213.37041
30.0000 -107.43722 -99.25834 8.17887 2.92229 -100.59123 1230.01966
35.0000 -107.08291 -99.35935 7.72356 3.04569 -98.98413 1369.64775
40.0000 -108.17957 -100.58209 7.59748 2.97051 -99.96323 1242.00523
45.0000 -108.77416 -102.06694 6.70722 2.85454 -101.47359 1157.62640
50.0000 -108.48858 -101.08045 7.40814 2.78749 -102.34680 1178.05848
55.0000 -106.80102 -100.40741 6.39361 2.88753 -101.04395 1185.23900
60.0000 -109.99357 -102.69622 7.29735 2.87454 -101.21305 1201.15812
65.0000 -108.07640 -101.40697 6.66942 2.83476 -101.73115 1147.12234
70.0000 -107.57762 -101.09559 6.48202 2.91729 -100.65628 1220.80728
75.0000 -109.02841 -101.02170 8.00671 2.85976 -101.40552 1185.36402
80.0000 -106.71257 -99.65872 7.05385 2.85179 -101.50931 1149.19204
85.0000 -108.36954 -100.54815 7.82139 2.94933 -100.23898 1245.10765
90.0000 -107.17042 -100.08856 7.08186 2.88919 -101.02223 1233.45497
95.0000 -107.66391 -99.42137 8.24254 2.90553 -100.80946 1192.52393
100.0000 -109.38241 -102.53412 6.84829 2.88607 -101.06288 1207.56156
105.0000 -107.97686 -101.26568 6.71118 2.82855 -101.81201 1139.38982
110.0000 -109.15239 -102.07816 7.07423 2.80854 -102.07262 1179.86378
115.0000 -107.56164 -97.26410 10.29754 2.92882 -100.50616 1221.76931
120.0000 -108.70122 -102.33159 6.36962 2.97156 -99.94957 1231.19683
125.0000 -108.79016 -101.53740 7.25276 2.88285 -101.10482 1184.32180
130.0000 -109.90590 -101.16967 8.73622 2.85926 -101.41211 1181.59469
135.0000 -108.55205 -102.06180 6.49025 2.91239 -100.72015 1224.74294
140.0000 -107.98310 -101.78853 6.19457 2.85194 -101.50742 1189.09495
145.0000 -108.05190 -100.82032 7.23158 2.83615 -101.71306 1150.47009
150.0000 -107.53712 -100.00158 7.53554 2.92758 -100.52227 1205.20393
155.0000 -107.83397 -101.09213 6.74183 2.98106 -99.82585 1280.18729
160.0000 -109.63225 -101.09888 8.53337 2.88423 -101.08693 1223.56498
165.0000 -108.54324 -101.47274 7.07050 2.93630 -100.40872 1254.47412
170.0000 -108.89770 -101.04638 7.85131 2.90395 -100.83005 1224.96414
175.0000 -106.59537 -98.40037 8.19500 3.08721 -98.44330 1347.97163
180.0000 -109.03883 -100.73515 8.30367 2.95087 -100.21899 1276.67459
185.0000 -106.82836 -99.34581 7.48255 2.89539 -100.94154 1195.57694
190.0000 -106.73408 -99.93429 6.79979 3.04983 -98.93017 1272.75968
195.0000 -107.47064 -99.82055 7.65010 2.99550 -99.63768 1265.56138
200.0000 -107.55236 -100.48623 7.06613 2.94508 -100.29442 1251.39111
205.0000 -109.65809 -103.60412 6.05397 2.79510 -102.24770 1110.10142
210.0000 -106.29003 -100.79517 5.49486 2.79230 -102.28415 1129.62581
215.0000 -106.90214 -98.92603 7.97611 2.89359 -100.96496 1166.86743
220.0000 -107.25141 -100.78009 6.47132 3.02355 -99.27239 1334.21620
225.0000 -109.76433 -101.63065 8.13368 2.88710 -101.04949 1211.22199
230.0000 -106.88405 -98.85602 8.02803 2.94306 -100.32064 1246.72493
235.0000 -104.08243 -96.95164 7.13079 3.08619 -98.45663 1319.71089
240.0000 -108.82638 -100.10075 8.72563 3.00884 -99.46393 1295.04737
245.0000 -109.68736 -103.07642 6.61094 2.95121 -100.21460 1232.24020
250.0000 -106.48917 -98.99024 7.49893 2.91527 -100.68262 1243.89322
FREEZING PROCESS: loop number 2 T-loop= 1191.0000000000000
main_MD> interactions number 2 at Temperature= 1191.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57883 3.58293 -2.41889
force_rgl> df(natom) -6.37300 -2.17532 -3.50533
255.0000 -107.49673 -100.18730 7.30943 2.99930 -99.58820 1283.22582
260.0000 -107.79607 -101.55076 6.24532 2.93859 -100.37888 1188.09028
265.0000 -108.47524 -99.78416 8.69109 2.97137 -99.95194 1277.44090
270.0000 -108.45111 -101.81001 6.64109 2.86895 -101.28589 1185.66788
275.0000 -108.20841 -101.35928 6.84913 2.88107 -101.12804 1202.89875
280.0000 -108.93929 -101.85381 7.08548 2.87677 -101.18404 1203.55447
285.0000 -109.17697 -101.87608 7.30090 2.84482 -101.60014 1198.69191
290.0000 -109.60592 -101.71529 7.89063 2.80865 -102.07118 1183.14685
295.0000 -108.95369 -101.68619 7.26750 2.83151 -101.77343 1176.12898
300.0000 -108.21807 -101.23547 6.98260 2.86820 -101.29564 1205.57120
305.0000 -108.59404 -101.76686 6.82718 2.86889 -101.28663 1171.60907
310.0000 -111.02935 -104.15934 6.87001 2.80561 -102.11077 1160.06113
315.0000 -109.13239 -100.23919 8.89321 2.82587 -101.84696 1134.10011
320.0000 -108.19147 -100.42375 7.76772 2.96713 -100.00722 1275.80186
325.0000 -107.53540 -102.04284 5.49256 2.92108 -100.60698 1281.58813
330.0000 -108.41873 -100.30210 8.11663 2.96694 -100.00972 1268.77962
335.0000 -107.36205 -99.11251 8.24954 3.03161 -99.16750 1324.48064
340.0000 -107.05667 -99.52867 7.52800 2.99377 -99.66027 1285.49969
345.0000 -109.84249 -102.52747 7.31501 2.89684 -100.92267 1216.04796
350.0000 -108.60565 -101.70489 6.90076 2.76966 -102.57894 1127.01093
355.0000 -108.91294 -102.12323 6.78971 2.81531 -101.98443 1154.45760
360.0000 -109.79216 -102.16420 7.62796 2.75497 -102.77030 1114.85441
365.0000 -106.54082 -98.87701 7.66380 2.97820 -99.86304 1246.79062
370.0000 -107.80862 -100.37179 7.43683 3.05443 -98.87020 1296.86651
375.0000 -108.15933 -100.74566 7.41367 2.92586 -100.54471 1216.16699
380.0000 -108.27393 -101.09583 7.17810 2.94292 -100.32247 1251.51014
385.0000 -108.03621 -101.33059 6.70562 2.83335 -101.74952 1166.09568
390.0000 -110.26644 -102.15241 8.11402 2.85243 -101.50108 1182.34340
395.0000 -108.60287 -101.52430 7.07857 2.75825 -102.72755 1102.07476
400.0000 -107.53840 -100.73173 6.80667 2.84183 -101.63902 1198.01322
405.0000 -111.23215 -104.52858 6.70357 2.78290 -102.40652 1130.98638
410.0000 -107.53671 -100.44727 7.08944 2.78860 -102.33229 1129.36294
415.0000 -110.00969 -102.42435 7.58534 2.84589 -101.58621 1099.61123
420.0000 -109.97811 -102.53262 7.44549 2.78889 -102.32854 1115.54523
425.0000 -108.99040 -102.65575 6.33465 2.76495 -102.64030 1100.83032
430.0000 -109.36247 -102.78725 6.57522 2.74595 -102.88781 1090.36082
435.0000 -109.11907 -101.32564 7.79343 2.83089 -101.78154 1151.19840
440.0000 -107.24235 -101.98189 5.26046 2.87158 -101.25156 1159.00782
445.0000 -106.96040 -99.82119 7.13921 2.91368 -100.70337 1234.65793
450.0000 -107.64905 -101.37893 6.27012 2.98017 -99.83741 1266.82707
455.0000 -107.15077 -98.68257 8.46820 2.93380 -100.44133 1192.11774
460.0000 -107.17645 -98.75949 8.41696 3.11919 -98.02690 1399.93364
465.0000 -107.37529 -99.35427 8.02103 3.07945 -98.54438 1359.32937
470.0000 -108.51411 -101.86284 6.65127 2.86943 -101.27967 1184.02806
475.0000 -108.58034 -100.44136 8.13898 2.86601 -101.32422 1214.74825
480.0000 -107.63224 -100.01575 7.61649 3.02149 -99.29926 1358.79166
485.0000 -109.76350 -102.67447 7.08903 2.89363 -100.96451 1187.41023
490.0000 -107.64280 -101.36806 6.27475 2.79514 -102.24719 1185.09549
495.0000 -105.69229 -99.06908 6.62321 2.93408 -100.43765 1239.94677
500.0000 -107.64351 -99.00710 8.63641 3.02401 -99.26640 1288.51235
FREEZING PROCESS: loop number 3 T-loop= 1166.0000000000000
main_MD> interactions number 3 at Temperature= 1166.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.31879 -1.77887 -2.17460
force_rgl> df(natom) -0.73954 -2.47495 1.36330
505.0000 -108.68574 -102.68890 5.99684 2.90505 -100.81573 1204.67662
510.0000 -107.40973 -99.84031 7.56942 2.86841 -101.29294 1220.05590
515.0000 -108.65181 -101.58973 7.06208 2.94965 -100.23488 1244.92490
520.0000 -108.28486 -100.39518 7.88969 2.88779 -101.04051 1202.33927
525.0000 -108.22903 -101.39859 6.83043 2.87750 -101.17456 1157.57798
530.0000 -109.87094 -102.34914 7.52181 2.86835 -101.29366 1206.53504
535.0000 -107.99740 -99.31980 8.67761 2.86869 -101.28924 1143.60331
540.0000 -107.47696 -101.38713 6.08983 2.94023 -100.35753 1243.00210
545.0000 -107.20517 -101.24464 5.96053 2.86214 -101.37461 1154.30563
550.0000 -106.96176 -99.60267 7.35909 2.93946 -100.36756 1257.19278
555.0000 -107.91897 -101.79220 6.12677 2.95050 -100.22379 1277.75141
560.0000 -109.33230 -103.00159 6.33071 2.79743 -102.21734 1126.86116
565.0000 -109.08876 -101.02573 8.06303 2.79909 -102.19572 1118.68334
570.0000 -109.10867 -100.76204 8.34663 2.86545 -101.33145 1192.93875
575.0000 -104.66546 -98.57399 6.09148 3.08605 -98.45838 1302.73512
580.0000 -106.77488 -99.91420 6.86068 3.07943 -98.54462 1315.68627
585.0000 -108.99765 -102.39655 6.60110 2.84848 -101.55247 1171.86029
590.0000 -109.70347 -99.84841 9.85506 2.82187 -101.89901 1138.41234
595.0000 -109.18297 -102.99059 6.19239 2.85542 -101.46202 1209.25696
600.0000 -108.21226 -101.94320 6.26905 2.78098 -102.43152 1108.36625
605.0000 -109.06011 -102.25005 6.81006 2.79366 -102.26637 1118.19996
610.0000 -107.71846 -101.20413 6.51433 2.80996 -102.05409 1139.50847
615.0000 -109.63391 -102.95674 6.67718 2.83900 -101.67594 1136.81583
620.0000 -110.57739 -104.49787 6.07953 2.69115 -103.60152 1059.37260
625.0000 -107.60663 -100.26716 7.33947 2.75586 -102.75876 1128.50658
630.0000 -109.39256 -100.81307 8.57949 2.93578 -100.41548 1244.86468
635.0000 -107.19957 -100.79477 6.40480 2.92461 -100.56099 1227.97932
640.0000 -108.45333 -101.60200 6.85133 2.90416 -100.82724 1190.70422
645.0000 -109.84767 -102.81262 7.03505 2.81661 -101.96754 1155.59158
650.0000 -110.09092 -101.48077 8.61015 2.77899 -102.45748 1123.14454
655.0000 -110.14868 -101.36635 8.78234 2.88393 -101.09082 1186.29396
660.0000 -109.90902 -102.09786 7.81117 2.76820 -102.59795 1116.46586
665.0000 -107.21119 -99.46741 7.74378 2.92554 -100.54882 1218.87172
670.0000 -108.30898 -101.95583 6.35315 2.89974 -100.88482 1192.90117
675.0000 -109.65574 -101.96598 7.68975 2.79155 -102.29393 1138.81494
680.0000 -107.05177 -99.76799 7.28378 2.89477 -100.94964 1187.42148
685.0000 -108.03211 -99.91793 8.11418 2.94816 -100.25433 1282.66599
690.0000 -107.70698 -100.79280 6.91418 2.93844 -100.38087 1270.78506
695.0000 -107.52137 -98.98072 8.54065 2.98023 -99.83657 1253.30777
700.0000 -109.07220 -102.03443 7.03777 2.86222 -101.37358 1189.50833
705.0000 -109.51843 -103.10377 6.41466 2.81992 -101.92446 1178.60848
710.0000 -110.28107 -104.35614 5.92492 2.70130 -103.46922 1097.64843
715.0000 -108.24361 -102.62678 5.61683 2.68489 -103.68295 1014.46877
720.0000 -108.85778 -101.45272 7.40506 2.79873 -102.20038 1116.22272
725.0000 -107.89179 -100.49154 7.40025 2.86020 -101.39986 1211.10579
730.0000 -106.30770 -98.71453 7.59317 3.03187 -99.16407 1316.35050
735.0000 -107.12612 -100.84382 6.28230 2.97496 -99.90525 1288.61961
740.0000 -110.15544 -103.29017 6.86527 2.81228 -102.02393 1116.90413
745.0000 -109.10117 -101.67037 7.43080 2.72594 -103.14835 1104.49555
750.0000 -107.66413 -100.73467 6.92947 2.82488 -101.85976 1133.09281
FREEZING PROCESS: loop number 4 T-loop= 1141.0000000000000
main_MD> interactions number 4 at Temperature= 1141.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.16358 4.41189 -1.66354
force_rgl> df(natom) -1.50723 1.73864 -1.40536
755.0000 -107.98174 -101.64603 6.33571 2.83781 -101.69141 1148.38432
760.0000 -109.50237 -102.98570 6.51666 2.78068 -102.43553 1027.99268
765.0000 -109.64944 -103.02158 6.62786 2.73389 -103.04479 1117.11849
770.0000 -107.56784 -100.52947 7.03837 2.82294 -101.88504 1125.53255
775.0000 -108.15055 -100.02295 8.12760 2.92241 -100.58962 1206.90387
780.0000 -108.73113 -101.53426 7.19686 2.92565 -100.54738 1223.59380
785.0000 -108.74741 -101.77854 6.96886 2.74367 -102.91747 1072.74965
790.0000 -110.10047 -102.24880 7.85167 2.85038 -101.52775 1163.60243
795.0000 -110.14357 -102.47740 7.66617 2.74738 -102.86919 1083.56694
800.0000 -110.35132 -103.46883 6.88249 2.77317 -102.53325 1090.16874
805.0000 -111.25384 -103.78996 7.46388 2.70621 -103.40528 1056.59475
810.0000 -109.31059 -103.43317 5.87742 2.64543 -104.19691 1014.73269
815.0000 -109.11479 -101.76347 7.35132 2.75698 -102.74418 1040.05303
820.0000 -108.21080 -100.94370 7.26709 2.84140 -101.64464 1139.55519
825.0000 -108.16636 -101.60284 6.56353 2.80704 -102.09221 1117.83102
830.0000 -108.02832 -100.57515 7.45317 2.86527 -101.33382 1192.59079
835.0000 -110.02843 -103.83454 6.19389 2.72368 -103.17786 1091.34382
840.0000 -109.40239 -102.88057 6.52182 2.76604 -102.62609 1104.73932
845.0000 -108.79619 -102.25561 6.54058 2.72874 -103.11186 1066.31814
850.0000 -108.85589 -102.18587 6.67002 2.72207 -103.19872 1088.56613
855.0000 -108.25751 -102.88857 5.36894 2.78546 -102.37324 1161.89481
860.0000 -108.02281 -101.32101 6.70180 2.77497 -102.50983 1121.12561
865.0000 -109.06673 -102.70164 6.36509 2.78079 -102.43406 1125.92316
870.0000 -110.36525 -103.30332 7.06193 2.70289 -103.44861 1068.92993
875.0000 -108.58783 -102.54783 6.04000 2.69145 -103.59750 1013.21733
880.0000 -109.69378 -102.65528 7.03851 2.69596 -103.53887 1069.07729
885.0000 -108.35918 -100.77795 7.58124 2.82964 -101.79784 1173.17597
890.0000 -111.83862 -104.27436 7.56426 2.81857 -101.94201 1180.81650
895.0000 -111.36384 -104.90766 6.45619 2.58560 -104.97615 964.23786
900.0000 -109.22679 -103.43712 5.78966 2.71431 -103.29991 1078.93131
905.0000 -109.51915 -103.63050 5.88865 2.75068 -102.82618 1095.46077
910.0000 -108.62340 -101.46626 7.15714 2.82306 -101.88351 1171.15817
915.0000 -108.84423 -102.44108 6.40315 2.79207 -102.28707 1073.62215
920.0000 -107.59703 -102.11660 5.48043 2.76186 -102.68063 1129.30589
925.0000 -108.39487 -101.95819 6.43668 2.84283 -101.62600 1155.04665
930.0000 -108.78483 -103.79197 4.99286 2.73691 -103.00547 1089.11746
935.0000 -108.73669 -103.06728 5.66941 2.67795 -103.77333 1047.29320
940.0000 -109.42407 -102.71513 6.70894 2.68967 -103.62071 1075.76124
945.0000 -108.99454 -102.56508 6.42946 2.74049 -102.95886 1105.40405
950.0000 -110.53958 -104.61845 5.92113 2.66648 -103.92271 1011.41696
955.0000 -107.70851 -100.23697 7.47154 2.74507 -102.89922 1098.23874
960.0000 -107.63071 -99.05525 8.57547 2.96775 -99.99917 1206.15730
965.0000 -109.08419 -101.44756 7.63662 2.84623 -101.58171 1217.94259
970.0000 -109.33988 -101.24196 8.09791 2.84309 -101.62269 1224.63473
975.0000 -107.69956 -100.32997 7.36958 2.86920 -101.28258 1184.52219
980.0000 -109.56306 -103.01239 6.55067 2.91284 -100.71433 1201.91556
985.0000 -109.11046 -102.93496 6.17550 2.70991 -103.35711 1066.80602
990.0000 -109.30935 -102.73957 6.56978 2.78433 -102.38791 1161.17351
995.0000 -108.75850 -102.54304 6.21546 2.82407 -101.87040 1146.77330
1000.0000 -109.81804 -102.97519 6.84286 2.75425 -102.77962 1128.67399
FREEZING PROCESS: loop number 5 T-loop= 1116.0000000000000
main_MD> interactions number 5 at Temperature= 1116.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.13412 0.76541 2.43983
force_rgl> df(natom) -0.28523 -3.90584 -4.45199
1005.0000 -111.50047 -104.89259 6.60789 2.70488 -103.42269 1023.60362
1010.0000 -109.53771 -104.29808 5.23963 2.67934 -103.75527 1050.51474
1015.0000 -109.18149 -101.69447 7.48701 2.76538 -102.63472 1127.43837
1020.0000 -110.86789 -103.44962 7.41828 2.74362 -102.91806 1061.27026
1025.0000 -109.98459 -103.97052 6.01407 2.69569 -103.54233 1052.51052
1030.0000 -108.62296 -102.90662 5.71634 2.72332 -103.18249 1059.75488
1035.0000 -107.90590 -101.64168 6.26422 2.73930 -102.97434 1072.64824
1040.0000 -107.99551 -100.46758 7.52792 2.87328 -101.22942 1170.50678
1045.0000 -110.69369 -104.42762 6.26607 2.72558 -103.15312 1086.12949
1050.0000 -110.11655 -102.67363 7.44292 2.68932 -103.62535 1094.89951
1055.0000 -109.75281 -104.16719 5.58562 2.67350 -103.83129 1010.57477
1060.0000 -110.43499 -103.54258 6.89241 2.73697 -103.00473 1070.31104
1065.0000 -108.28085 -102.00791 6.27294 2.74670 -102.87807 1095.14632
1070.0000 -106.95027 -99.63644 7.31382 2.87459 -101.21238 1209.73685
1075.0000 -108.25136 -100.44543 7.80593 3.00763 -99.47975 1327.00090
1080.0000 -108.44232 -101.16418 7.27814 2.97010 -99.96854 1304.14031
1085.0000 -110.13330 -103.37194 6.76137 2.82277 -101.88735 1199.12657
1090.0000 -110.81769 -105.55574 5.26195 2.62613 -104.44827 988.06448
1095.0000 -108.83306 -102.55761 6.27546 2.61923 -104.53818 989.27355
1100.0000 -109.10143 -102.86705 6.23439 2.74935 -102.84352 1094.97472
1105.0000 -108.42133 -102.16083 6.26051 2.73097 -103.08292 1062.40148
1110.0000 -110.70364 -104.17363 6.53001 2.74546 -102.89410 1093.76316
1115.0000 -109.31384 -102.55629 6.75756 2.72799 -103.12167 1083.78568
1120.0000 -109.62276 -102.58972 7.03304 2.75336 -102.79128 1122.43039
1125.0000 -108.64457 -102.99506 5.64951 2.79127 -102.29750 1122.76593
1130.0000 -109.98881 -103.81688 6.17193 2.71785 -103.25371 1048.22799
1135.0000 -109.03449 -102.50865 6.52584 2.71065 -103.34754 1066.43769
1140.0000 -108.68197 -101.13666 7.54531 2.85570 -101.45849 1198.90859
1145.0000 -105.75636 -98.21813 7.53824 3.01932 -99.32756 1316.63635
1150.0000 -108.33048 -100.72176 7.60872 3.02605 -99.23985 1291.71186
1155.0000 -108.14983 -100.43822 7.71161 2.90734 -100.78595 1190.70376
1160.0000 -108.58461 -102.67162 5.91299 2.83409 -101.73987 1139.10354
1165.0000 -107.67852 -101.60530 6.07322 2.79537 -102.24419 1118.96563
1170.0000 -107.75383 -100.23400 7.51982 3.00853 -99.46803 1286.14083
1175.0000 -110.89499 -103.08834 7.80665 2.79609 -102.23471 1126.84990
1180.0000 -109.47203 -102.96645 6.50558 2.74318 -102.92387 1094.27443
1185.0000 -109.61796 -102.49523 7.12274 2.69629 -103.53454 1053.49046
1190.0000 -109.48854 -102.37130 7.11724 2.77264 -102.54014 1103.06819
1195.0000 -110.37668 -103.86698 6.50969 2.76697 -102.61400 1105.31819
1200.0000 -108.40835 -100.67673 7.73161 2.76001 -102.70467 1142.51079
1205.0000 -107.18462 -100.83534 6.34928 2.89109 -100.99753 1175.72816
1210.0000 -110.06724 -103.22088 6.84636 2.86582 -101.32666 1177.49691
1215.0000 -108.63554 -102.92728 5.70826 2.79740 -102.21769 1161.64123
1220.0000 -110.03114 -102.88218 7.14896 2.72975 -103.09873 1081.30205
1225.0000 -109.46499 -103.40578 6.05921 2.71454 -103.29681 1066.67627
1230.0000 -108.50858 -101.93169 6.57689 2.77759 -102.47567 1115.24606
1235.0000 -108.17472 -100.79249 7.38222 2.84924 -101.54258 1189.91517
1240.0000 -109.74615 -103.15548 6.59068 2.76756 -102.60631 1134.48913
1245.0000 -109.85213 -103.28946 6.56267 2.75473 -102.77345 1114.88448
1250.0000 -110.68069 -104.61497 6.06572 2.63609 -104.31850 942.68414
FREEZING PROCESS: loop number 6 T-loop= 1091.0000000000000
main_MD> interactions number 6 at Temperature= 1091.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03614 0.16239 0.57982
force_rgl> df(natom) -0.76693 3.00027 -0.66426
1255.0000 -110.12871 -103.18681 6.94190 2.65739 -104.04120 1047.59652
1260.0000 -108.81856 -103.81861 4.99994 2.68011 -103.74522 1028.39513
1265.0000 -111.39232 -104.47933 6.91299 2.64116 -104.25254 1044.45790
1270.0000 -112.21126 -106.00817 6.20310 2.57920 -105.05950 981.62446
1275.0000 -110.25746 -103.04287 7.21459 2.63820 -104.29105 1008.58242
1280.0000 -109.41071 -101.69944 7.71127 2.75218 -102.80668 1085.33268
1285.0000 -107.43601 -101.78615 5.64986 2.76299 -102.66590 1064.56697
1290.0000 -109.86693 -103.27760 6.58933 2.78602 -102.36588 1138.30954
1295.0000 -109.20863 -101.95052 7.25810 2.73537 -103.02561 1107.78918
1300.0000 -110.15464 -102.97994 7.17470 2.80199 -102.15794 1131.13762
1305.0000 -109.98862 -104.57705 5.41158 2.67072 -103.86760 1041.55236
1310.0000 -109.31781 -103.29617 6.02164 2.72285 -103.18868 1082.97775
1315.0000 -109.67195 -101.49878 8.17317 2.75738 -102.73897 1081.30762
1320.0000 -108.37369 -101.90957 6.46412 2.81401 -102.00137 1163.67801
1325.0000 -108.57282 -101.02793 7.54489 2.79901 -102.19673 1106.87249
1330.0000 -109.74978 -103.01004 6.73974 2.77581 -102.49894 1096.51732
1335.0000 -108.48619 -102.36912 6.11707 2.79852 -102.20315 1117.10379
1340.0000 -109.88768 -103.88402 6.00366 2.74378 -102.91600 1079.06445
1345.0000 -109.37422 -101.87937 7.49485 2.71657 -103.27042 1068.84725
1350.0000 -108.94586 -103.73781 5.20806 2.72123 -103.20972 1070.11673
1355.0000 -110.40618 -103.03867 7.36752 2.71479 -103.29353 1075.48154
1360.0000 -109.04072 -103.57814 5.46258 2.78177 -102.42127 1077.82551
1365.0000 -112.10205 -106.15597 5.94608 2.57339 -105.13517 933.94357
1370.0000 -111.59366 -106.04630 5.54736 2.54522 -105.50205 981.33163
1375.0000 -109.96991 -104.48322 5.48669 2.58631 -104.96684 984.98968
1380.0000 -109.78925 -103.33096 6.45829 2.66460 -103.94730 1021.14650
1385.0000 -110.55575 -103.86012 6.69563 2.70310 -103.44585 1041.93223
1390.0000 -109.19676 -103.35345 5.84331 2.77158 -102.55397 1126.99036
1395.0000 -109.14200 -101.95988 7.18211 2.84942 -101.54016 1150.15720
1400.0000 -108.54917 -101.75753 6.79164 2.85697 -101.44195 1182.68530
1405.0000 -109.44207 -102.69820 6.74387 2.82707 -101.83126 1146.20997
1410.0000 -109.51029 -102.71662 6.79367 2.76020 -102.70225 1097.72116
1415.0000 -109.91283 -102.69276 7.22007 2.79481 -102.25147 1120.34458
1420.0000 -109.95450 -103.06853 6.88598 2.77669 -102.48737 1122.60647
1425.0000 -109.66845 -102.91030 6.75815 2.73465 -103.03494 1098.57533
1430.0000 -110.78490 -103.76645 7.01845 2.69254 -103.58331 1013.92399
1435.0000 -108.08708 -100.98831 7.09877 2.81958 -101.92881 1158.05825
1440.0000 -109.07393 -102.18413 6.88980 2.85546 -101.46161 1187.64112
1445.0000 -109.68230 -101.45615 8.22615 2.80352 -102.13803 1123.80224
1450.0000 -108.89275 -102.15098 6.74177 2.82620 -101.84261 1094.78784
1455.0000 -108.59872 -101.58240 7.01631 2.83638 -101.71008 1143.74236
1460.0000 -107.99862 -101.46322 6.53540 2.85057 -101.52518 1133.49781
1465.0000 -109.58835 -100.44280 9.14555 2.88594 -101.06457 1169.77377
1470.0000 -109.57198 -103.56674 6.00524 2.81257 -102.02011 1114.47310
1475.0000 -108.12521 -100.42326 7.70195 2.83819 -101.68644 1122.46621
1480.0000 -109.78978 -102.61702 7.17276 2.89072 -101.00229 1231.99282
1485.0000 -110.13827 -104.41563 5.72264 2.66337 -103.96328 1005.43880
1490.0000 -110.35892 -104.31889 6.04003 2.63921 -104.27786 1043.85822
1495.0000 -111.30139 -104.06183 7.23956 2.68399 -103.69471 1018.05409
1500.0000 -109.32642 -103.05938 6.26705 2.71453 -103.29701 1061.76672
FREEZING PROCESS: loop number 7 T-loop= 1066.0000000000000
main_MD> interactions number 7 at Temperature= 1066.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.38052 1.76006 0.99554
force_rgl> df(natom) -1.79101 4.61637 -1.55325
1505.0000 -109.42045 -103.69252 5.72793 2.73480 -103.03305 1096.26548
1510.0000 -109.42119 -104.61285 4.80835 2.68920 -103.62683 1060.84412
1515.0000 -110.80926 -104.96686 5.84241 2.57634 -105.09666 942.29176
1520.0000 -109.84644 -103.97384 5.87260 2.64277 -104.23149 1056.20772
1525.0000 -108.80304 -102.04114 6.76190 2.79531 -102.24496 1124.71916
1530.0000 -111.40452 -103.73357 7.67095 2.71983 -103.22798 1063.70901
1535.0000 -110.05723 -104.73052 5.32671 2.65321 -104.09556 1021.97018
1540.0000 -110.56624 -104.85295 5.71329 2.63332 -104.35459 1003.09058
1545.0000 -108.91905 -102.44521 6.47385 2.70710 -103.39374 1027.09950
1550.0000 -109.24174 -103.46835 5.77339 2.68508 -103.68051 1019.59368
1555.0000 -109.39580 -102.67676 6.71904 2.65232 -104.10715 1006.89836
1560.0000 -110.44877 -103.30514 7.14363 2.74732 -102.86991 1093.16888
1565.0000 -109.57540 -102.66946 6.90595 2.69452 -103.55755 1056.38373
1570.0000 -109.15519 -102.32836 6.82683 2.70063 -103.47801 1092.31332
1575.0000 -110.75396 -103.92445 6.82951 2.75682 -102.74624 1094.50509
1580.0000 -111.21408 -103.81776 7.39632 2.69988 -103.48782 1048.32097
1585.0000 -110.31047 -104.92590 5.38456 2.58851 -104.93816 937.53368
1590.0000 -111.07461 -104.40030 6.67431 2.65771 -104.03700 1012.33031
1595.0000 -111.38738 -106.02663 5.36075 2.53490 -105.63641 975.35540
1600.0000 -111.29214 -106.13633 5.15581 2.53165 -105.67869 944.13116
1605.0000 -110.61494 -105.45871 5.15624 2.50621 -106.01008 897.86951
1610.0000 -110.67188 -104.91008 5.76180 2.59175 -104.89602 976.98723
1615.0000 -110.00283 -104.10032 5.90250 2.65356 -104.09097 1057.93016
1620.0000 -109.25821 -103.40408 5.85414 2.63993 -104.26853 1022.80005
1625.0000 -109.05729 -102.66958 6.38771 2.70473 -103.42457 1056.12300
1630.0000 -110.32208 -104.55405 5.76802 2.66584 -103.93114 1025.57162
1635.0000 -110.40696 -104.80333 5.60363 2.58096 -105.03658 979.59697
1640.0000 -109.89384 -104.84699 5.04686 2.62128 -104.51142 1011.61727
1645.0000 -111.01355 -105.52834 5.48520 2.59819 -104.81215 972.37025
1650.0000 -112.19797 -105.91693 6.28104 2.52822 -105.72335 924.49846
1655.0000 -111.13336 -105.83943 5.29393 2.54917 -105.45059 947.23937
1660.0000 -110.04924 -104.95636 5.09287 2.57282 -105.14257 957.07574
1665.0000 -110.49653 -104.33605 6.16048 2.70807 -103.38117 1092.89440
1670.0000 -107.93724 -101.88209 6.05515 2.68617 -103.66629 1033.53527
1675.0000 -108.17499 -101.15996 7.01503 2.82914 -101.80433 1128.33934
1680.0000 -108.68743 -101.51584 7.17159 2.86928 -101.28155 1188.09874
1685.0000 -109.70933 -103.29952 6.40982 2.83877 -101.67896 1200.90738
1690.0000 -109.89844 -103.29401 6.60443 2.72125 -103.20950 1040.23077
1695.0000 -109.28134 -103.14366 6.13768 2.75304 -102.79550 1077.03555
1700.0000 -109.91661 -102.84611 7.07050 2.73081 -103.08497 1080.16158
1705.0000 -109.35615 -102.50861 6.84754 2.77498 -102.50975 1112.55981
1710.0000 -109.75407 -103.48660 6.26747 2.74649 -102.88075 1107.84394
1715.0000 -108.80047 -102.54260 6.25787 2.77179 -102.55125 1112.00052
1720.0000 -110.51538 -104.67997 5.83541 2.71471 -103.29460 1094.07649
1725.0000 -110.29104 -104.81332 5.47772 2.61448 -104.59997 1029.43149
1730.0000 -110.41297 -104.04325 6.36972 2.62236 -104.49734 1017.28323
1735.0000 -109.62696 -102.87234 6.75462 2.68644 -103.66284 1047.61280
1740.0000 -108.77663 -102.21434 6.56229 2.79376 -102.26506 1146.24887
1745.0000 -108.31973 -102.10554 6.21419 2.80040 -102.17869 1102.66565
1750.0000 -110.55772 -103.11358 7.44414 2.81428 -101.99781 1116.66481
FREEZING PROCESS: loop number 8 T-loop= 1041.0000000000000
main_MD> interactions number 8 at Temperature= 1041.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27781 0.16825 1.98328
force_rgl> df(natom) -0.84561 -0.10605 1.85699
1755.0000 -109.46120 -103.73564 5.72556 2.70881 -103.37154 1061.90169
1760.0000 -109.75033 -104.40432 5.34601 2.61678 -104.57001 954.53178
1765.0000 -109.85467 -102.85661 6.99806 2.65444 -104.07958 1021.61387
1770.0000 -108.97573 -102.72983 6.24590 2.77482 -102.51185 1128.18418
1775.0000 -108.79670 -99.79274 9.00396 2.84905 -101.54498 1170.03005
1780.0000 -109.74121 -102.83662 6.90459 2.83987 -101.66463 1175.84156
1785.0000 -109.81641 -104.07024 5.74616 2.71860 -103.24398 1028.24933
1790.0000 -111.65055 -105.21824 6.43230 2.66725 -103.91268 1001.13395
1795.0000 -110.91148 -104.88536 6.02611 2.61912 -104.53959 988.39656
1800.0000 -111.16493 -103.69021 7.47473 2.61975 -104.53131 963.37010
1805.0000 -109.33124 -103.31960 6.01164 2.62820 -104.42128 1010.16868
1810.0000 -111.79759 -104.79765 6.99994 2.71396 -103.30434 1071.62647
1815.0000 -111.47905 -105.48707 5.99198 2.56205 -105.28286 988.40798
1820.0000 -111.88846 -106.36127 5.52718 2.49812 -106.11537 929.74344
1825.0000 -111.86129 -106.14204 5.71925 2.43650 -106.91799 877.74523
1830.0000 -111.12923 -105.09299 6.03625 2.51168 -105.93878 930.77704
1835.0000 -110.44806 -104.52841 5.91964 2.59527 -104.85011 983.64698
1840.0000 -111.39798 -105.00962 6.38836 2.64028 -104.26402 1018.11264
1845.0000 -110.00400 -103.47725 6.52675 2.61131 -104.64123 1020.93217
1850.0000 -109.66098 -103.58883 6.07216 2.70128 -103.46948 1052.71715
1855.0000 -110.33920 -104.05429 6.28491 2.68813 -103.64086 1048.50576
1860.0000 -110.80038 -104.04892 6.75146 2.66534 -103.93766 1048.43413
1865.0000 -108.11639 -100.79319 7.32320 2.78055 -102.43715 1127.96575
1870.0000 -109.96019 -103.33850 6.62169 2.79944 -102.19108 1139.60869
1875.0000 -109.95999 -102.40822 7.55177 2.69470 -103.55519 1047.06123
1880.0000 -109.79092 -103.72055 6.07036 2.69597 -103.53864 1018.64791
1885.0000 -111.45743 -105.20661 6.25083 2.54899 -105.45288 955.58803
1890.0000 -110.15444 -103.95746 6.19698 2.65876 -104.02335 1026.52281
1895.0000 -109.83882 -103.28884 6.54998 2.74369 -102.91722 1062.36535
1900.0000 -109.48576 -102.21389 7.27186 2.76462 -102.64467 1121.74763
1905.0000 -109.09818 -102.88134 6.21685 2.77060 -102.56668 1114.80245
1910.0000 -108.96973 -102.99581 5.97392 2.77732 -102.47917 1150.32455
1915.0000 -107.42196 -100.30407 7.11789 2.83914 -101.67404 1197.01235
1920.0000 -108.00730 -100.49834 7.50896 2.88899 -101.02483 1194.24569
1925.0000 -110.62940 -104.78190 5.84750 2.77587 -102.49807 1114.31668
1930.0000 -110.15342 -102.74040 7.41302 2.58625 -104.96766 955.93903
1935.0000 -109.88801 -102.58450 7.30350 2.69214 -103.58862 1027.82638
1940.0000 -109.37055 -103.04253 6.32801 2.75038 -102.83012 1088.32732
1945.0000 -109.88519 -102.91611 6.96908 2.71209 -103.32872 1036.65672
1950.0000 -108.86373 -102.11848 6.74525 2.75507 -102.76904 1108.99077
1955.0000 -110.02138 -104.08254 5.93884 2.66399 -103.95521 1013.31096
1960.0000 -111.07316 -105.15828 5.91488 2.61790 -104.55548 995.50227
1965.0000 -110.07071 -103.90152 6.16919 2.67286 -103.83962 1067.52471
1970.0000 -110.79611 -104.50740 6.28871 2.60172 -104.76617 979.11677
1975.0000 -109.65620 -102.30849 7.34770 2.73635 -103.01284 1083.27335
1980.0000 -110.12308 -102.21500 7.90808 2.73558 -103.02284 1069.30440
1985.0000 -109.65498 -104.28785 5.36713 2.71531 -103.28679 1066.69915
1990.0000 -109.36980 -102.64702 6.72277 2.74269 -102.93017 1059.43539
1995.0000 -109.10934 -102.48437 6.62498 2.80760 -102.08485 1177.46943
2000.0000 -110.38761 -104.31657 6.07105 2.69816 -103.51015 1094.00836
FREEZING PROCESS: loop number 9 T-loop= 1016.0000000000000
main_MD> interactions number 9 at Temperature= 1016.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.04642 1.14753 1.14515
force_rgl> df(natom) 1.32688 -5.51850 0.08916
2005.0000 -110.65751 -104.96736 5.69015 2.58509 -104.98279 965.82910
2010.0000 -110.36826 -103.22466 7.14361 2.64824 -104.16026 1022.49782
2015.0000 -108.25615 -101.62749 6.62865 2.78859 -102.33244 1129.72996
2020.0000 -110.63092 -104.16920 6.46171 2.74869 -102.85215 1108.26829
2025.0000 -110.29138 -104.44194 5.84944 2.57496 -105.11470 977.84728
2030.0000 -111.14482 -104.67452 6.47030 2.63406 -104.34494 1017.49423
2035.0000 -110.10246 -103.75326 6.34920 2.67603 -103.79836 1017.28112
2040.0000 -110.76425 -104.25795 6.50630 2.65209 -104.11023 1025.77195
2045.0000 -111.85565 -106.49439 5.36126 2.57756 -105.08086 963.78557
2050.0000 -110.17529 -104.59531 5.57998 2.52336 -105.78674 914.88698
2055.0000 -110.61035 -104.18902 6.42133 2.59063 -104.91062 1008.07487
2060.0000 -110.68159 -104.67903 6.00256 2.53291 -105.66239 943.57015
2065.0000 -111.14723 -106.38104 4.76619 2.60256 -104.75518 986.96977
2070.0000 -112.23505 -104.90387 7.33118 2.54689 -105.48026 977.23939
2075.0000 -109.58655 -104.19124 5.39530 2.58313 -105.00827 983.82835
2080.0000 -109.66534 -102.56287 7.10247 2.69699 -103.52535 1068.80286
2085.0000 -109.68353 -103.14457 6.53895 2.71720 -103.26222 1080.84845
2090.0000 -110.35428 -103.58566 6.76862 2.71570 -103.28173 1072.08375
2095.0000 -111.11367 -105.36713 5.74654 2.61771 -104.55786 1011.16634
2100.0000 -110.04055 -104.15737 5.88318 2.60640 -104.70528 972.17338
2105.0000 -110.09033 -102.76934 7.32099 2.73595 -103.01802 1097.25197
2110.0000 -109.90385 -104.17768 5.72616 2.69112 -103.60184 1027.12538
2115.0000 -110.41530 -103.62874 6.78656 2.67015 -103.87491 1025.02122
2120.0000 -110.09838 -103.53071 6.56767 2.74244 -102.93354 1100.19215
2125.0000 -111.94868 -105.18348 6.76520 2.57768 -105.07924 1015.15526
2130.0000 -110.64349 -104.30194 6.34155 2.56250 -105.27692 931.97495
2135.0000 -110.23991 -102.82101 7.41890 2.69621 -103.53561 1093.68151
2140.0000 -109.95665 -102.16638 7.79026 2.67561 -103.80391 1051.47784
2145.0000 -110.28011 -104.22462 6.05549 2.70139 -103.46815 1061.61685
2150.0000 -111.06701 -104.66941 6.39760 2.60065 -104.78005 918.02890
2155.0000 -109.40882 -101.44993 7.95889 2.77456 -102.51518 1094.58719
2160.0000 -110.32141 -103.88678 6.43463 2.69835 -103.50772 1096.75845
2165.0000 -109.45301 -103.77807 5.67494 2.73444 -103.03770 1095.61223
2170.0000 -108.62736 -102.37780 6.24957 2.76005 -102.70409 1086.43335
2175.0000 -110.41943 -102.98570 7.43373 2.76490 -102.64097 1133.08503
2180.0000 -111.13591 -103.09601 8.03990 2.75051 -102.82833 1116.77381
2185.0000 -110.21115 -102.84042 7.37073 2.71841 -103.24651 1070.31442
2190.0000 -111.28227 -104.22466 7.05761 2.68489 -103.68294 1056.37442
2195.0000 -111.10913 -105.29763 5.81150 2.62082 -104.51738 961.32330
2200.0000 -110.25137 -103.57543 6.67594 2.61752 -104.56044 995.11956
2205.0000 -109.37873 -102.34335 7.03539 2.74052 -102.95855 1069.54559
2210.0000 -111.04305 -104.15436 6.88869 2.71180 -103.33257 1067.81345
2215.0000 -110.12534 -104.61058 5.51476 2.62263 -104.49382 1010.57409
2220.0000 -109.65559 -102.48616 7.16944 2.64033 -104.26337 997.75995
2225.0000 -110.50894 -104.37241 6.13653 2.66146 -103.98815 1024.01657
2230.0000 -111.44863 -106.32899 5.11964 2.52212 -105.80281 936.67735
2235.0000 -111.66455 -104.79642 6.86813 2.50967 -105.96500 944.63771
2240.0000 -110.38802 -104.89329 5.49473 2.60300 -104.74950 981.13705
2245.0000 -111.07012 -104.67678 6.39333 2.64130 -104.25075 983.58019
2250.0000 -110.58310 -103.44138 7.14171 2.65248 -104.10506 1006.19230
FREEZING PROCESS: loop number 10 T-loop= 991.00000000000000
main_MD> interactions number 10 at Temperature= 991.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86930 -0.51775 1.13976
force_rgl> df(natom) 1.70050 -1.42210 -0.14794
2255.0000 -110.45892 -105.05677 5.40215 2.63161 -104.37690 1024.46314
2260.0000 -110.29351 -105.33156 4.96195 2.60704 -104.69692 942.97282
2265.0000 -111.81809 -106.53215 5.28593 2.57952 -105.05528 942.15590
2270.0000 -110.47217 -104.69867 5.77350 2.52071 -105.82122 932.03773
2275.0000 -110.02880 -103.34127 6.68753 2.67197 -103.85123 1072.82908
2280.0000 -109.55639 -103.29329 6.26310 2.70303 -103.44675 1070.82288
2285.0000 -111.77705 -105.02463 6.75242 2.69684 -103.52740 1044.54693
2290.0000 -111.39849 -105.25584 6.14265 2.59200 -104.89277 991.11968
2295.0000 -111.10100 -105.31752 5.78348 2.56893 -105.19323 961.26721
2300.0000 -110.78996 -105.13487 5.65509 2.55504 -105.37411 953.60334
2305.0000 -111.54232 -105.34774 6.19459 2.58729 -104.95412 948.17420
2310.0000 -111.07809 -104.45782 6.62028 2.54597 -105.49225 961.52377
2315.0000 -109.49511 -103.87753 5.61758 2.64427 -104.21202 1016.46392
2320.0000 -107.87507 -103.40663 4.46844 2.72583 -103.14978 1076.01033
2325.0000 -111.39562 -105.20065 6.19497 2.60862 -104.67629 973.33879
2330.0000 -110.81981 -105.82268 4.99713 2.51788 -105.85804 936.30819
2335.0000 -112.27858 -107.12052 5.15806 2.47840 -106.37226 885.13048
2340.0000 -111.18158 -106.66929 4.51229 2.46998 -106.48191 861.44274
2345.0000 -111.66382 -105.74906 5.91475 2.51366 -105.91309 915.07037
2350.0000 -111.17647 -105.68906 5.48741 2.54047 -105.56386 927.12679
2355.0000 -111.62324 -105.19234 6.43090 2.58551 -104.97733 982.99903
2360.0000 -110.10750 -105.66311 4.44439 2.58851 -104.93825 968.40196
2365.0000 -110.66542 -103.61920 7.04622 2.68369 -103.69867 1048.62618
2370.0000 -108.88342 -102.95374 5.92968 2.79809 -102.20869 1138.42843
2375.0000 -112.05085 -105.73174 6.31911 2.61236 -104.62766 990.55203
2380.0000 -111.02714 -103.60667 7.42047 2.61202 -104.63208 1005.98529
2385.0000 -110.55956 -105.80006 4.75950 2.62298 -104.48930 1055.63733
2390.0000 -108.62790 -103.68390 4.94400 2.52750 -105.73283 907.38411
2395.0000 -111.70531 -104.75630 6.94900 2.65710 -104.04490 1011.20618
2400.0000 -110.02454 -104.66075 5.36379 2.58203 -105.02265 976.93073
2405.0000 -111.45736 -103.03718 8.42018 2.62984 -104.39999 1002.42265
2410.0000 -109.84441 -102.94007 6.90433 2.72311 -103.18529 1040.73736
2415.0000 -110.25459 -104.00062 6.25397 2.65791 -104.03438 998.80229
2420.0000 -110.30505 -103.67123 6.63381 2.66624 -103.92590 1018.63253
2425.0000 -110.63224 -105.25394 5.37830 2.58291 -105.01120 964.43641
2430.0000 -110.49871 -105.49819 5.00051 2.55246 -105.40777 929.81610
2435.0000 -109.35148 -102.03292 7.31855 2.70488 -103.42260 1025.01131
2440.0000 -109.47070 -104.35955 5.11115 2.68983 -103.61868 1040.90876
2445.0000 -109.20504 -101.32817 7.87688 2.79553 -102.24204 1128.14689
2450.0000 -110.72423 -103.63878 7.08545 2.78345 -102.39937 1141.35427
2455.0000 -110.07571 -104.47255 5.60316 2.64235 -104.23702 1000.61806
2460.0000 -112.29777 -106.27780 6.01996 2.55557 -105.36716 952.73873
2465.0000 -110.07153 -103.63000 6.44153 2.63266 -104.36325 1016.75433
2470.0000 -109.56650 -103.90580 5.66070 2.68323 -103.70468 1063.78341
2475.0000 -111.51799 -103.86159 7.65640 2.69022 -103.61360 1056.17515
2480.0000 -110.49260 -103.79388 6.69873 2.62636 -104.44521 997.35456
2485.0000 -109.65778 -103.50791 6.14987 2.67277 -103.84084 1077.34725
2490.0000 -110.76498 -104.92823 5.83675 2.60301 -104.74939 970.33417
2495.0000 -111.60560 -107.10422 4.50138 2.44616 -106.79216 860.97650
2500.0000 -112.46781 -106.96789 5.49992 2.40481 -107.33061 788.33930
FREEZING PROCESS: loop number 11 T-loop= 966.00000000000000
main_MD> interactions number 11 at Temperature= 966.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70192 0.47400 2.04690
force_rgl> df(natom) -2.44246 -0.25947 2.37134
2505.0000 -111.30735 -105.92905 5.37829 2.47434 -106.42513 880.05561
2510.0000 -110.26809 -103.58752 6.68056 2.54794 -105.46662 933.08468
2515.0000 -110.34843 -104.75737 5.59106 2.63091 -104.38606 980.89272
2520.0000 -109.61320 -104.70016 4.91305 2.58253 -105.01609 945.04433
2525.0000 -111.67993 -106.91916 4.76077 2.52997 -105.70058 945.70371
2530.0000 -111.78869 -106.92607 4.86262 2.43737 -106.90659 811.62562
2535.0000 -111.11979 -105.05588 6.06391 2.48520 -106.28372 864.44871
2540.0000 -111.45589 -106.26821 5.18768 2.53785 -105.59803 889.58706
2545.0000 -110.28618 -104.48475 5.80142 2.51559 -105.88796 935.03875
2550.0000 -110.81106 -104.93621 5.87485 2.63457 -104.33829 1029.99936
2555.0000 -109.15546 -102.68240 6.47306 2.63415 -104.34381 1007.69565
2560.0000 -109.48936 -104.18635 5.30301 2.68498 -103.68185 1049.10142
2565.0000 -110.19758 -102.79533 7.40224 2.70053 -103.47931 1064.23181
2570.0000 -110.94892 -104.19638 6.75254 2.70822 -103.37913 1064.50783
2575.0000 -109.54113 -104.62331 4.91782 2.62262 -104.49396 1039.94634
2580.0000 -111.34632 -104.23933 7.10699 2.60224 -104.75939 969.87245
2585.0000 -111.30044 -105.05487 6.24557 2.59786 -104.81648 1023.91119
2590.0000 -111.30175 -104.89703 6.40472 2.62024 -104.52501 1014.61144
2595.0000 -110.48892 -104.81243 5.67649 2.63954 -104.27359 995.50839
2600.0000 -109.34908 -103.89151 5.45757 2.64620 -104.18686 1017.15958
2605.0000 -110.75809 -104.85516 5.90293 2.63527 -104.32918 1016.69768
2610.0000 -110.44021 -104.37154 6.06867 2.55847 -105.32946 979.50787
2615.0000 -110.65248 -105.90507 4.74742 2.56318 -105.26808 961.60135
2620.0000 -111.80411 -107.59474 4.20937 2.43711 -106.91003 852.72341
2625.0000 -110.38349 -103.93168 6.45181 2.51865 -105.84808 946.47121
2630.0000 -111.15265 -105.25133 5.90131 2.58150 -105.02951 981.31370
2635.0000 -109.82677 -104.91844 4.90833 2.54448 -105.51167 909.01934
2640.0000 -109.54809 -104.44163 5.10645 2.59836 -104.80997 976.38936
2645.0000 -110.34534 -103.52323 6.82211 2.61168 -104.63652 966.36239
2650.0000 -110.32444 -104.39016 5.93428 2.70076 -103.47626 1047.45765
2655.0000 -110.53050 -105.15450 5.37599 2.57541 -105.10884 925.88270
2660.0000 -109.33584 -104.29970 5.03614 2.65670 -104.05012 1000.82387
2665.0000 -110.23453 -103.67907 6.55546 2.63200 -104.37179 973.27979
2670.0000 -109.39030 -103.05698 6.33332 2.66217 -103.97889 1006.26358
2675.0000 -110.26311 -102.67580 7.58731 2.69389 -103.56576 1023.35540
2680.0000 -110.35270 -103.91238 6.44032 2.76762 -102.60556 1103.67696
2685.0000 -111.53820 -106.09618 5.44202 2.53846 -105.59007 906.32525
2690.0000 -111.75961 -106.58762 5.17199 2.46865 -106.49918 886.80251
2695.0000 -111.24010 -104.82076 6.41934 2.50833 -105.98246 882.01153
2700.0000 -110.09961 -104.70485 5.39476 2.59485 -104.85560 963.18756
2705.0000 -111.08924 -106.09214 4.99710 2.57642 -105.09572 966.76144
2710.0000 -111.45042 -106.04021 5.41021 2.52261 -105.79649 892.35474
2715.0000 -108.64594 -103.69409 4.95185 2.56170 -105.28737 920.72513
2720.0000 -111.18212 -104.36085 6.82127 2.73004 -103.09500 1083.88367
2725.0000 -112.72320 -107.41417 5.30903 2.54716 -105.47670 928.44741
2730.0000 -112.00114 -106.45085 5.55028 2.44803 -106.76782 872.21440
2735.0000 -110.00927 -105.42033 4.58894 2.51610 -105.88132 901.86304
2740.0000 -110.02025 -104.41100 5.60925 2.55410 -105.38632 934.19430
2745.0000 -109.91987 -103.92585 5.99402 2.61950 -104.53458 1008.13743
2750.0000 -111.98973 -105.78908 6.20064 2.60581 -104.71297 996.10434
FREEZING PROCESS: loop number 12 T-loop= 941.00000000000000
main_MD> interactions number 12 at Temperature= 941.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37811 -2.07651 1.17014
force_rgl> df(natom) -0.10283 -0.08578 -2.29030
2755.0000 -111.72559 -106.92585 4.79974 2.52468 -105.76955 906.76719
2760.0000 -110.60072 -106.57316 4.02756 2.41905 -107.14523 857.00365
2765.0000 -110.80723 -105.35492 5.45231 2.55364 -105.39239 941.05332
2770.0000 -111.18423 -104.81783 6.36640 2.54493 -105.50583 903.47396
2775.0000 -111.73760 -106.17222 5.56539 2.54299 -105.53107 926.78428
2780.0000 -111.64357 -105.45673 6.18684 2.47143 -106.46299 873.00968
2785.0000 -111.75697 -104.67140 7.08557 2.56600 -105.23133 987.44045
2790.0000 -111.28816 -105.35816 5.93000 2.58566 -104.97527 959.33156
2795.0000 -109.66914 -103.72085 5.94829 2.62930 -104.40701 989.19175
2800.0000 -112.01170 -106.35648 5.65522 2.58216 -105.02093 987.68759
2805.0000 -112.59177 -106.33584 6.25594 2.44662 -106.78611 896.87546
2810.0000 -111.43375 -105.96948 5.46427 2.50586 -106.01459 880.73107
2815.0000 -111.81957 -106.59131 5.22826 2.51072 -105.95130 907.85202
2820.0000 -111.01085 -105.14410 5.86675 2.53022 -105.69739 923.18032
2825.0000 -112.02474 -106.09033 5.93442 2.56651 -105.22475 965.90215
2830.0000 -110.42042 -104.28574 6.13469 2.53572 -105.62568 919.24822
2835.0000 -109.78968 -104.76679 5.02289 2.65357 -104.09086 1038.91843
2840.0000 -111.74383 -105.69054 6.05329 2.53754 -105.60198 902.81302
2845.0000 -110.72260 -105.57030 5.15230 2.55112 -105.42520 948.82262
2850.0000 -109.48747 -104.13476 5.35271 2.62249 -104.49565 990.48179
2855.0000 -111.61985 -105.50418 6.11567 2.62541 -104.45771 1005.68504
2860.0000 -111.49497 -106.81480 4.68017 2.53393 -105.64901 914.51996
2865.0000 -111.06349 -105.80953 5.25396 2.55738 -105.34369 956.09431
2870.0000 -111.23237 -104.29230 6.94007 2.61044 -104.65260 1026.62684
2875.0000 -109.66312 -104.88655 4.77657 2.58714 -104.95610 938.07100
2880.0000 -112.51487 -105.88399 6.63087 2.60915 -104.66936 989.86316
2885.0000 -110.32062 -104.57001 5.75061 2.59310 -104.87846 970.59121
2890.0000 -111.03608 -105.26115 5.77493 2.61402 -104.60597 1010.03097
2895.0000 -111.44618 -105.33795 6.10823 2.52898 -105.71352 924.65650
2900.0000 -110.23861 -105.13238 5.10623 2.60705 -104.69674 990.47232
2905.0000 -112.24316 -107.15048 5.09269 2.51941 -105.83813 937.95830
2910.0000 -111.67639 -105.83439 5.84200 2.42595 -107.05528 827.07551
2915.0000 -110.70173 -104.46236 6.23937 2.55854 -105.32850 983.47927
2920.0000 -111.08694 -105.24054 5.84639 2.59586 -104.84247 994.37477
2925.0000 -110.42005 -104.66897 5.75108 2.56890 -105.19357 941.87800
2930.0000 -110.10951 -104.97570 5.13380 2.64315 -104.22658 980.32727
2935.0000 -111.11199 -104.31812 6.79387 2.60620 -104.70786 967.09644
2940.0000 -112.42875 -106.56924 5.85952 2.57384 -105.12933 938.88333
2945.0000 -111.28846 -105.94472 5.34374 2.55396 -105.38823 982.61671
2950.0000 -110.38713 -104.30884 6.07828 2.58925 -104.92860 947.36020
2955.0000 -108.89710 -103.64767 5.24943 2.64191 -104.24276 1025.78093
2960.0000 -110.83278 -103.67445 7.15832 2.64745 -104.17058 1006.41319
2965.0000 -111.86258 -105.93037 5.93220 2.55365 -105.39223 953.75012
2970.0000 -110.59638 -105.30647 5.28990 2.49222 -106.19232 916.51300
2975.0000 -110.90053 -105.23968 5.66085 2.59199 -104.89283 1005.82090
2980.0000 -110.63697 -104.44042 6.19655 2.56890 -105.19364 959.69909
2985.0000 -112.45455 -106.57453 5.88002 2.53638 -105.61717 949.47061
2990.0000 -111.27052 -106.20522 5.06530 2.44796 -106.76872 836.42324
2995.0000 -111.78879 -105.98344 5.80535 2.49317 -106.17992 883.14118
3000.0000 -110.91639 -105.69433 5.22205 2.52648 -105.74613 929.82968
FREEZING PROCESS: loop number 13 T-loop= 916.00000000000000
main_MD> interactions number 13 at Temperature= 916.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19814 -1.95516 0.11037
force_rgl> df(natom) -1.51456 -1.30483 -1.43348
3005.0000 -110.68654 -105.50003 5.18651 2.53718 -105.60670 946.39030
3010.0000 -111.63379 -105.13951 6.49428 2.57096 -105.16675 979.25438
3015.0000 -111.23751 -105.61977 5.61774 2.59470 -104.85765 1006.12585
3020.0000 -110.96288 -106.16037 4.80251 2.47235 -106.45103 851.77940
3025.0000 -113.22966 -106.98420 6.24546 2.44070 -106.86327 862.60284
3030.0000 -111.42560 -106.12718 5.29842 2.49411 -106.16761 859.00052
3035.0000 -111.61974 -106.06175 5.55799 2.46554 -106.53976 833.15787
3040.0000 -112.12181 -106.34300 5.77881 2.51163 -105.93946 903.69675
3045.0000 -111.17872 -105.96168 5.21704 2.47444 -106.42387 909.70085
3050.0000 -112.72276 -107.24659 5.47617 2.43557 -106.93009 852.90336
3055.0000 -111.41705 -106.58873 4.82832 2.50176 -106.06800 903.48209
3060.0000 -111.18734 -106.49291 4.69443 2.45375 -106.69322 874.26385
3065.0000 -112.02523 -107.22981 4.79542 2.47614 -106.40167 901.84197
3070.0000 -111.25968 -106.05571 5.20396 2.45589 -106.66542 867.72373
3075.0000 -109.79437 -104.91492 4.87945 2.62646 -104.44396 1037.50489
3080.0000 -111.21109 -105.60591 5.60517 2.55367 -105.39193 942.47829
3085.0000 -112.32154 -106.15048 6.17106 2.48414 -106.29747 931.65599
3090.0000 -109.73200 -104.19048 5.54152 2.54300 -105.53091 938.28162
3095.0000 -110.31343 -105.03757 5.27587 2.57361 -105.13226 961.91259
3100.0000 -111.31450 -105.34551 5.96899 2.61835 -104.54965 1011.26504
3105.0000 -112.71598 -106.31751 6.39847 2.53155 -105.67998 965.43446
3110.0000 -112.82070 -107.51001 5.31069 2.41280 -107.22659 844.78660
3115.0000 -112.03183 -106.82647 5.20537 2.44065 -106.86382 881.03076
3120.0000 -112.05007 -106.98456 5.06551 2.52644 -105.74662 900.06412
3125.0000 -111.87437 -107.33071 4.54366 2.46623 -106.53069 864.11849
3130.0000 -110.68039 -105.93707 4.74332 2.49554 -106.14904 896.02943
3135.0000 -111.05684 -105.44946 5.60738 2.52367 -105.78265 945.83577
3140.0000 -111.19481 -104.92041 6.27439 2.58672 -104.96156 943.09312
3145.0000 -111.24301 -106.75039 4.49262 2.43747 -106.90532 869.78628
3150.0000 -113.03301 -107.95229 5.08073 2.40812 -107.28749 853.14317
3155.0000 -113.69853 -108.76388 4.93465 2.34496 -108.11011 821.30005
3160.0000 -113.46307 -107.91963 5.54343 2.34132 -108.15754 793.09099
3165.0000 -112.93044 -106.04531 6.88513 2.47610 -106.40221 864.27783
3170.0000 -111.64233 -106.27553 5.36679 2.48778 -106.25011 889.02662
3175.0000 -111.20007 -105.34079 5.85928 2.53597 -105.62241 903.81591
3180.0000 -112.05413 -105.73944 6.31468 2.46323 -106.56982 841.65768
3185.0000 -110.63421 -105.17862 5.45559 2.62084 -104.51718 996.62114
3190.0000 -110.78335 -105.50180 5.28155 2.54956 -105.44550 911.21953
3195.0000 -112.29277 -106.47399 5.81878 2.51093 -105.94864 912.35854
3200.0000 -112.13903 -106.94602 5.19301 2.42692 -107.04272 847.61352
3205.0000 -112.37599 -106.39847 5.97751 2.48831 -106.24314 893.03453
3210.0000 -111.42838 -106.31933 5.10905 2.48536 -106.28159 890.51783
3215.0000 -112.35054 -106.06971 6.28083 2.49488 -106.15759 896.63327
3220.0000 -111.36883 -106.38063 4.98820 2.49458 -106.16158 921.86396
3225.0000 -110.79221 -105.71382 5.07839 2.50460 -106.03101 877.49620
3230.0000 -111.80821 -104.93215 6.87606 2.56586 -105.23315 914.10825
3235.0000 -111.73434 -106.33499 5.39935 2.44175 -106.84954 852.89366
3240.0000 -111.20788 -106.91899 4.28889 2.44115 -106.85733 887.70667
3245.0000 -111.99201 -106.46777 5.52424 2.51542 -105.89006 956.92434
3250.0000 -111.88639 -106.96992 4.91647 2.45750 -106.64441 861.65251
FREEZING PROCESS: loop number 14 T-loop= 891.00000000000000
main_MD> interactions number 14 at Temperature= 891.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.50377 -2.25578 -3.54901
force_rgl> df(natom) 3.36023 1.31982 -0.85990
3255.0000 -111.77284 -107.14991 4.62293 2.41921 -107.14314 862.87696
3260.0000 -111.95242 -107.27597 4.67645 2.41929 -107.14214 832.28969
3265.0000 -109.86173 -105.15356 4.70817 2.51990 -105.83171 904.63164
3270.0000 -110.72128 -103.81740 6.90388 2.65186 -104.11318 1022.69831
3275.0000 -109.43033 -103.82468 5.60566 2.69691 -103.52646 1051.04111
3280.0000 -111.42374 -105.93407 5.48967 2.63408 -104.34470 1006.30741
3285.0000 -112.53279 -105.53572 6.99707 2.54001 -105.56984 919.25192
3290.0000 -111.87700 -106.09056 5.78645 2.53143 -105.68166 959.40274
3295.0000 -111.63478 -106.94021 4.69457 2.52797 -105.72663 923.73858
3300.0000 -112.10625 -106.56179 5.54446 2.39257 -107.49011 825.68752
3305.0000 -111.55715 -106.35755 5.19960 2.44693 -106.78204 851.48614
3310.0000 -111.58421 -105.15145 6.43276 2.59351 -104.87305 982.29560
3315.0000 -111.50680 -106.53908 4.96772 2.50146 -106.07191 906.20916
3320.0000 -111.04479 -105.92216 5.12263 2.48515 -106.28433 852.66300
3325.0000 -112.07881 -105.62188 6.45694 2.49769 -106.12101 893.17346
3330.0000 -112.35172 -106.62421 5.72751 2.50477 -106.02876 935.86665
3335.0000 -109.84711 -104.35576 5.49135 2.54036 -105.56533 936.89514
3340.0000 -110.42982 -104.88894 5.54088 2.67752 -103.77899 1013.19215
3345.0000 -110.65505 -105.36005 5.29500 2.60346 -104.74351 981.08784
3350.0000 -111.65429 -106.91593 4.73835 2.53490 -105.63636 919.78412
3355.0000 -112.88998 -109.09658 3.79340 2.36129 -107.89749 770.47351
3360.0000 -111.52730 -104.97890 6.54840 2.42303 -107.09340 825.17811
3365.0000 -110.59807 -105.34675 5.25132 2.56462 -105.24939 950.82282
3370.0000 -111.49221 -106.05706 5.43515 2.50245 -106.05900 903.06815
3375.0000 -111.21293 -106.47412 4.73880 2.48950 -106.22769 865.07792
3380.0000 -112.18763 -105.58452 6.60311 2.50141 -106.07261 901.21045
3385.0000 -112.50400 -106.72768 5.77632 2.49477 -106.15910 903.06849
3390.0000 -111.57767 -106.33154 5.24613 2.44966 -106.74649 887.31813
3395.0000 -111.12557 -107.06233 4.06324 2.45328 -106.69939 846.25584
3400.0000 -111.32452 -105.35035 5.97416 2.47192 -106.45663 864.08070
3405.0000 -110.69860 -104.80029 5.89831 2.58993 -104.91978 955.77215
3410.0000 -112.80022 -106.81842 5.98179 2.52421 -105.77567 941.08664
3415.0000 -112.66485 -107.00973 5.65512 2.46106 -106.59809 833.29043
3420.0000 -111.38502 -105.72804 5.65698 2.43710 -106.91015 858.43714
3425.0000 -112.29935 -107.39811 4.90124 2.45727 -106.64738 885.22359
3430.0000 -113.46592 -108.55687 4.90905 2.32913 -108.31622 748.57045
3435.0000 -111.92773 -107.02748 4.90026 2.35683 -107.95551 821.58646
3440.0000 -111.71637 -106.34258 5.37379 2.44669 -106.78518 868.46053
3445.0000 -110.62170 -105.86887 4.75283 2.48872 -106.23783 885.08752
3450.0000 -111.19963 -105.58891 5.61072 2.54751 -105.47213 938.92148
3455.0000 -111.65667 -106.66628 4.99039 2.45136 -106.72438 845.49222
3460.0000 -111.22169 -107.01674 4.20494 2.45357 -106.69557 861.79496
3465.0000 -113.08836 -106.95527 6.13309 2.44194 -106.84714 858.26266
3470.0000 -112.25792 -106.69222 5.56570 2.46022 -106.60906 876.99134
3475.0000 -113.31902 -109.14160 4.17742 2.35054 -108.03746 790.77042
3480.0000 -112.69461 -107.20243 5.49218 2.33154 -108.28496 780.38190
3485.0000 -112.06849 -106.93735 5.13115 2.43322 -106.96072 856.27128
3490.0000 -112.38370 -107.37782 5.00589 2.47861 -106.36951 884.12290
3495.0000 -113.06631 -108.89993 4.16637 2.33509 -108.23869 772.59086
3500.0000 -112.75087 -107.58058 5.17029 2.33123 -108.28889 795.53039
FREEZING PROCESS: loop number 15 T-loop= 866.00000000000000
main_MD> interactions number 15 at Temperature= 866.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81904 -0.07732 -0.25629
force_rgl> df(natom) -0.26905 -0.77220 -1.73353
3505.0000 -112.29357 -107.21933 5.07424 2.38761 -107.55460 806.96338
3510.0000 -112.41517 -107.59564 4.81953 2.35166 -108.02281 798.31542
3515.0000 -113.89033 -109.53395 4.35638 2.34956 -108.05019 773.72049
3520.0000 -111.83346 -107.03685 4.79661 2.33554 -108.23274 790.70569
3525.0000 -112.57725 -108.34582 4.23143 2.34202 -108.14834 745.70096
3530.0000 -111.84329 -107.76960 4.07369 2.38520 -107.58600 842.59959
3535.0000 -112.30397 -108.42399 3.87998 2.31428 -108.50964 789.67343
3540.0000 -111.50097 -107.32718 4.17378 2.37914 -107.66494 823.52795
3545.0000 -111.64744 -107.31525 4.33219 2.38920 -107.53401 793.38355
3550.0000 -110.42758 -104.84256 5.58502 2.48256 -106.31811 890.61790
3555.0000 -111.15172 -105.30147 5.85025 2.57721 -105.08543 970.80162
3560.0000 -111.12430 -105.77206 5.35224 2.55366 -105.39211 975.84781
3565.0000 -111.93760 -105.61080 6.32680 2.50088 -106.07953 918.37103
3570.0000 -112.17549 -107.41157 4.76393 2.47813 -106.37576 876.87088
3575.0000 -111.47215 -106.20713 5.26503 2.47995 -106.35210 895.24799
3580.0000 -112.72071 -107.28755 5.43317 2.45585 -106.66587 917.89947
3585.0000 -111.43246 -106.01698 5.41549 2.40325 -107.35095 835.95477
3590.0000 -111.99801 -107.75497 4.24304 2.46928 -106.49108 870.33769
3595.0000 -112.51642 -107.74608 4.77034 2.38497 -107.58899 828.93729
3600.0000 -112.61778 -107.66166 4.95612 2.35998 -107.91444 790.52683
3605.0000 -113.01219 -109.34852 3.66367 2.31917 -108.44596 795.01924
3610.0000 -111.92010 -106.66852 5.25158 2.36960 -107.78919 815.53074
3615.0000 -112.19164 -105.46224 6.72940 2.54693 -105.47975 955.05610
3620.0000 -110.72614 -105.06739 5.65876 2.59697 -104.82801 976.82694
3625.0000 -111.23025 -105.96588 5.26437 2.61325 -104.61603 977.18012
3630.0000 -111.52667 -107.03920 4.48748 2.48862 -106.23909 883.26906
3635.0000 -112.73091 -107.70397 5.02694 2.43846 -106.89240 845.97849
3640.0000 -112.45645 -107.12779 5.32866 2.39682 -107.43473 846.42998
3645.0000 -113.16006 -106.91256 6.24750 2.44498 -106.80749 893.66769
3650.0000 -112.16157 -105.91215 6.24941 2.49224 -106.19200 928.21669
3655.0000 -111.45474 -104.72240 6.73233 2.54350 -105.52440 950.52520
3660.0000 -110.97458 -106.23878 4.73580 2.62296 -104.48955 1006.00759
3665.0000 -110.61403 -105.81416 4.79987 2.50206 -106.06408 863.50480
3670.0000 -110.39492 -104.93633 5.45859 2.57894 -105.06288 956.01562
3675.0000 -110.48764 -106.05558 4.43206 2.54686 -105.48070 933.42806
3680.0000 -113.25982 -107.93738 5.32244 2.44501 -106.80709 866.05698
3685.0000 -111.18109 -106.06491 5.11618 2.38536 -107.58395 806.69466
3690.0000 -112.52907 -107.88120 4.64787 2.37266 -107.74933 832.40267
3695.0000 -112.37084 -107.47621 4.89463 2.40252 -107.36054 844.79804
3700.0000 -112.10209 -107.25191 4.85018 2.40278 -107.35707 833.87369
3705.0000 -111.21056 -106.25042 4.96014 2.48881 -106.23672 900.26809
3710.0000 -111.88812 -105.93683 5.95129 2.47273 -106.44613 892.85850
3715.0000 -111.53436 -106.21803 5.31633 2.45617 -106.66181 858.86278
3720.0000 -112.12212 -107.43728 4.68484 2.46722 -106.51783 878.85318
3725.0000 -111.72392 -107.58281 4.14110 2.36931 -107.79297 807.63863
3730.0000 -111.67745 -106.46844 5.20901 2.43451 -106.94388 823.62385
3735.0000 -112.18519 -107.44356 4.74163 2.39896 -107.40687 833.75577
3740.0000 -112.79583 -108.34433 4.45150 2.34697 -108.08388 735.90514
3745.0000 -111.25094 -107.01791 4.23303 2.41195 -107.23772 867.04449
3750.0000 -110.69977 -106.48065 4.21912 2.49541 -106.15070 884.45091
FREEZING PROCESS: loop number 16 T-loop= 841.00000000000000
main_MD> interactions number 16 at Temperature= 841.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.50561 -2.55273 0.14835
force_rgl> df(natom) 2.68189 0.94315 -2.04513
3755.0000 -112.22347 -107.04937 5.17409 2.45887 -106.62658 871.46862
3760.0000 -110.61324 -105.51306 5.10018 2.46663 -106.52560 856.43461
3765.0000 -112.24927 -106.08267 6.16660 2.51499 -105.89571 899.05295
3770.0000 -111.97986 -106.35326 5.62659 2.49078 -106.21106 912.45782
3775.0000 -112.22888 -106.23690 5.99198 2.48391 -106.30055 857.21187
3780.0000 -112.55490 -107.45931 5.09558 2.47722 -106.38756 891.43350
3785.0000 -112.07347 -106.92142 5.15205 2.45346 -106.69708 854.87896
3790.0000 -112.55386 -108.23985 4.31401 2.36349 -107.86879 842.88255
3795.0000 -112.03810 -106.56551 5.47259 2.42231 -107.10275 831.81639
3800.0000 -112.09837 -107.54802 4.55035 2.40800 -107.28914 816.66290
3805.0000 -113.16821 -108.10348 5.06474 2.39179 -107.50027 847.35212
3810.0000 -112.43084 -107.86670 4.56413 2.37811 -107.67842 840.52103
3815.0000 -113.21791 -108.02617 5.19174 2.32028 -108.43151 760.08684
3820.0000 -111.70349 -107.26268 4.44081 2.42130 -107.11591 809.98904
3825.0000 -112.29218 -107.08045 5.21173 2.45662 -106.65597 878.27228
3830.0000 -112.86134 -106.95665 5.90469 2.39599 -107.44556 841.65703
3835.0000 -111.84663 -106.45739 5.38924 2.46842 -106.50228 893.12249
3840.0000 -112.41756 -106.36448 6.05307 2.47877 -106.36745 915.29059
3845.0000 -112.42316 -106.90881 5.51435 2.45205 -106.71540 848.01483
3850.0000 -112.08686 -107.37112 4.71574 2.42040 -107.12759 861.59491
3855.0000 -114.51156 -109.22043 5.29113 2.33139 -108.28688 820.23759
3860.0000 -113.58387 -108.54637 5.03750 2.26012 -109.21504 716.04099
3865.0000 -113.53424 -107.83233 5.70190 2.29783 -108.72397 740.67671
3870.0000 -113.65095 -108.97316 4.67778 2.31546 -108.49427 749.46148
3875.0000 -112.96547 -108.46805 4.49742 2.31328 -108.52272 745.83483
3880.0000 -112.74730 -108.60735 4.13995 2.29080 -108.81549 771.38317
3885.0000 -111.72897 -105.50545 6.22352 2.45357 -106.69560 880.59631
3890.0000 -113.77017 -108.98139 4.78879 2.35409 -107.99125 807.02208
3895.0000 -113.26879 -108.62728 4.64151 2.26571 -109.14227 714.10293
3900.0000 -112.08458 -106.31667 5.76790 2.37971 -107.65751 798.94277
3905.0000 -112.70683 -108.11939 4.58744 2.37153 -107.76402 816.09574
3910.0000 -112.47859 -107.97047 4.50813 2.33135 -108.28738 778.70882
3915.0000 -112.56778 -107.26942 5.29836 2.37316 -107.74285 812.20324
3920.0000 -112.19702 -107.72556 4.47146 2.40640 -107.30996 831.80340
3925.0000 -111.99193 -106.34346 5.64847 2.47887 -106.36609 850.57608
3930.0000 -110.59273 -105.85652 4.73621 2.46285 -106.57473 871.48670
3935.0000 -110.53968 -106.57256 3.96711 2.51538 -105.89059 897.57023
3940.0000 -112.62346 -108.51003 4.11344 2.40406 -107.34046 822.45204
3945.0000 -113.60937 -108.42979 5.17958 2.33911 -108.18637 790.82970
3950.0000 -112.17547 -107.78014 4.39533 2.37575 -107.70909 832.73596
3955.0000 -112.57161 -106.66777 5.90384 2.38540 -107.58349 815.93720
3960.0000 -111.96458 -106.19762 5.76696 2.44318 -106.83099 882.64193
3965.0000 -112.29380 -108.15382 4.13998 2.45670 -106.65484 890.11193
3970.0000 -113.65084 -109.09370 4.55714 2.33046 -108.29897 757.07941
3975.0000 -113.34071 -108.71411 4.62660 2.28937 -108.83415 755.87017
3980.0000 -112.65916 -108.59511 4.06404 2.31733 -108.47002 721.51850
3985.0000 -112.21668 -106.29121 5.92547 2.41646 -107.17895 848.64677
3990.0000 -110.41169 -104.66342 5.74827 2.47014 -106.47978 891.91652
3995.0000 -111.77484 -106.58685 5.18799 2.54613 -105.49015 955.02666
4000.0000 -111.96120 -106.90165 5.05956 2.46285 -106.57477 867.90666
FREEZING PROCESS: loop number 17 T-loop= 816.00000000000000
main_MD> interactions number 17 at Temperature= 816.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87148 -5.17248 3.59373
force_rgl> df(natom) -0.42714 -4.10940 -3.89675
4005.0000 -111.79745 -105.46371 6.33374 2.47250 -106.44912 867.70455
4010.0000 -112.17781 -107.94674 4.23106 2.45672 -106.65456 876.85758
4015.0000 -113.37451 -108.45351 4.92100 2.33893 -108.18867 784.54352
4020.0000 -112.99212 -107.91087 5.08125 2.35021 -108.04177 793.61705
4025.0000 -113.62324 -108.01550 5.60774 2.34042 -108.16918 761.90682
4030.0000 -112.41426 -107.73354 4.68072 2.38737 -107.55776 827.54654
4035.0000 -112.05780 -107.26988 4.78791 2.36814 -107.80821 779.42700
4040.0000 -112.89321 -108.90719 3.98602 2.37343 -107.73938 786.71327
4045.0000 -112.81472 -107.19086 5.62387 2.29510 -108.75952 759.80219
4050.0000 -111.96584 -106.83589 5.12995 2.42208 -107.10577 881.43811
4055.0000 -112.53972 -107.78224 4.75748 2.35626 -107.96290 806.62636
4060.0000 -112.52093 -108.12133 4.39960 2.39881 -107.40886 799.42694
4065.0000 -111.97850 -107.65035 4.32814 2.42971 -107.00641 847.03240
4070.0000 -112.95628 -108.47974 4.47654 2.31739 -108.46923 745.76554
4075.0000 -113.06310 -108.27085 4.79224 2.27478 -109.02412 778.37307
4080.0000 -113.50807 -108.78649 4.72158 2.31655 -108.48009 759.95446
4085.0000 -112.88658 -108.35798 4.52860 2.31201 -108.53922 767.32276
4090.0000 -112.82159 -108.51840 4.30318 2.33229 -108.27511 779.94579
4095.0000 -112.38870 -106.98260 5.40610 2.37423 -107.72892 784.91280
4100.0000 -111.41120 -106.27288 5.13832 2.47960 -106.35663 869.47615
4105.0000 -111.39930 -107.51525 3.88405 2.43016 -107.00054 839.66749
4110.0000 -112.07415 -106.88414 5.19001 2.43617 -106.92218 855.57393
4115.0000 -112.86617 -107.42199 5.44418 2.41990 -107.13413 834.84432
4120.0000 -110.91654 -105.99582 4.92071 2.48702 -106.25994 888.31651
4125.0000 -110.71503 -106.19708 4.51794 2.46596 -106.53425 840.71475
4130.0000 -112.47111 -107.42425 5.04687 2.44391 -106.82141 852.57119
4135.0000 -112.85300 -108.67743 4.17556 2.34662 -108.08854 766.59898
4140.0000 -112.95602 -107.08132 5.87470 2.37533 -107.71459 826.46047
4145.0000 -111.86340 -107.63671 4.22669 2.36162 -107.89308 812.25896
4150.0000 -112.74807 -106.39865 6.34942 2.43133 -106.98526 866.49102
4155.0000 -111.43427 -106.40775 5.02652 2.45613 -106.66228 866.92281
4160.0000 -109.17736 -104.78997 4.38739 2.55565 -105.36617 943.60009
4165.0000 -110.91868 -105.24273 5.67596 2.59232 -104.88865 980.48087
4170.0000 -111.33508 -104.86447 6.47061 2.54930 -105.44882 962.63579
4175.0000 -112.96631 -107.98864 4.97766 2.44144 -106.85363 863.49461
4180.0000 -113.53257 -107.68450 5.84807 2.43752 -106.90459 850.20030
4185.0000 -112.95266 -108.57999 4.37267 2.35238 -108.01353 775.15542
4190.0000 -111.61775 -106.61028 5.00747 2.40826 -107.28574 838.69827
4195.0000 -111.95964 -106.19696 5.76269 2.50386 -106.04062 921.53109
4200.0000 -112.71685 -107.77434 4.94250 2.45857 -106.63050 874.19006
4205.0000 -112.40070 -108.42252 3.97819 2.31317 -108.52420 741.85570
4210.0000 -113.48631 -108.78587 4.70043 2.31523 -108.49736 761.34487
4215.0000 -113.38072 -108.52411 4.85660 2.35671 -107.95705 809.49220
4220.0000 -111.69230 -106.65777 5.03453 2.43462 -106.94247 844.32647
4225.0000 -111.80946 -106.70861 5.10085 2.48991 -106.22232 878.40978
4230.0000 -111.40990 -107.37733 4.03257 2.40412 -107.33963 798.21445
4235.0000 -111.90358 -106.42105 5.48253 2.40629 -107.31144 827.33591
4240.0000 -113.56081 -107.57802 5.98278 2.40021 -107.39052 872.52450
4245.0000 -111.69956 -107.51717 4.18239 2.42909 -107.01441 851.34609
4250.0000 -112.73137 -106.86079 5.87058 2.44159 -106.85159 858.96621
FREEZING PROCESS: loop number 18 T-loop= 791.00000000000000
main_MD> interactions number 18 at Temperature= 791.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17048 3.25516 2.17553
force_rgl> df(natom) -0.74071 0.78048 0.07299
4255.0000 -111.17709 -105.59003 5.58706 2.46478 -106.54964 869.94263
4260.0000 -110.72258 -105.70334 5.01923 2.55506 -105.37380 932.69675
4265.0000 -112.21365 -107.70692 4.50673 2.47619 -106.40101 865.21096
4270.0000 -111.85053 -106.83032 5.02021 2.39361 -107.47648 815.51343
4275.0000 -111.83106 -106.17719 5.65387 2.46152 -106.59202 880.57913
4280.0000 -112.56136 -107.64441 4.91696 2.45198 -106.71638 874.47251
4285.0000 -111.35668 -106.85321 4.50347 2.41436 -107.20627 842.77116
4290.0000 -113.06737 -108.10067 4.96670 2.39933 -107.40199 856.84862
4295.0000 -112.74988 -108.01516 4.73472 2.35742 -107.94786 820.71899
4300.0000 -113.04195 -108.47763 4.56432 2.30162 -108.67450 754.81044
4305.0000 -113.46068 -109.17130 4.28937 2.26639 -109.13335 746.55367
4310.0000 -112.28498 -106.74223 5.54274 2.37089 -107.77236 824.31579
4315.0000 -113.09393 -108.57877 4.51516 2.40696 -107.30260 847.35745
4320.0000 -112.48781 -107.44438 5.04344 2.37663 -107.69767 835.15410
4325.0000 -113.29499 -108.63464 4.66035 2.29099 -108.81296 737.41005
4330.0000 -113.17156 -107.29035 5.88121 2.30475 -108.63374 774.84056
4335.0000 -112.35869 -107.61138 4.74731 2.36035 -107.90969 812.18216
4340.0000 -112.60503 -107.87327 4.73175 2.36346 -107.86917 774.46321
4345.0000 -113.01126 -108.00920 5.00206 2.39114 -107.50866 817.28990
4350.0000 -113.58333 -108.87008 4.71324 2.29744 -108.72897 736.02206
4355.0000 -112.35304 -107.19019 5.16285 2.30843 -108.58592 758.76319
4360.0000 -112.68648 -107.34198 5.34450 2.37230 -107.75408 819.62311
4365.0000 -111.59698 -106.24954 5.34743 2.42994 -107.00338 868.46060
4370.0000 -112.07271 -107.49039 4.58231 2.39020 -107.52094 808.11879
4375.0000 -112.92464 -107.47865 5.44599 2.33190 -108.28024 770.67894
4380.0000 -112.87820 -108.04154 4.83666 2.39285 -107.48639 802.56292
4385.0000 -113.34511 -109.14728 4.19783 2.31883 -108.45049 756.58341
4390.0000 -113.84504 -109.30970 4.53534 2.29134 -108.80841 733.01069
4395.0000 -114.21142 -109.17299 5.03843 2.26480 -109.15413 731.47056
4400.0000 -113.37133 -108.19669 5.17463 2.31652 -108.48052 764.50301
4405.0000 -113.87728 -109.51365 4.36364 2.25770 -109.24657 733.74159
4410.0000 -113.47223 -108.49518 4.97706 2.29520 -108.75812 744.16146
4415.0000 -112.91178 -108.19937 4.71241 2.33813 -108.19911 793.88518
4420.0000 -113.16507 -108.70999 4.45508 2.30363 -108.64844 751.91095
4425.0000 -113.52622 -109.71374 3.81247 2.30800 -108.59148 759.19366
4430.0000 -114.55704 -109.90602 4.65102 2.25376 -109.29785 732.85181
4435.0000 -112.90067 -107.29171 5.60896 2.29268 -108.79099 758.01034
4440.0000 -112.40493 -108.11870 4.28624 2.37447 -107.72575 809.77632
4445.0000 -112.82189 -108.57592 4.24597 2.36859 -107.80233 773.64349
4450.0000 -113.44600 -108.34304 5.10296 2.33884 -108.18979 798.79762
4455.0000 -113.69499 -109.06821 4.62677 2.26510 -109.15017 713.59220
4460.0000 -113.31502 -109.58871 3.72631 2.24119 -109.46158 698.53193
4465.0000 -113.89027 -109.34324 4.54704 2.22028 -109.73388 680.51417
4470.0000 -113.57294 -109.43171 4.14123 2.29626 -108.74443 780.14760
4475.0000 -112.49604 -108.16441 4.33163 2.24833 -109.36863 692.02004
4480.0000 -112.60387 -107.58494 5.01893 2.38469 -107.59272 806.85996
4485.0000 -112.34214 -106.31765 6.02449 2.44880 -106.75776 823.66227
4490.0000 -112.66852 -107.23417 5.43435 2.39597 -107.44584 791.82790
4495.0000 -112.45962 -108.08325 4.37637 2.40919 -107.27366 793.90954
4500.0000 -111.91209 -107.03212 4.87996 2.38507 -107.58774 781.81811
FREEZING PROCESS: loop number 19 T-loop= 766.00000000000000
main_MD> interactions number 19 at Temperature= 766.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.52818 -1.22398 -1.96968
force_rgl> df(natom) 1.14191 2.73036 1.21940
4505.0000 -110.51145 -105.49482 5.01663 2.44012 -106.87080 854.38579
4510.0000 -111.90014 -106.38330 5.51685 2.48569 -106.27736 921.30094
4515.0000 -112.59781 -107.64983 4.94797 2.40976 -107.26620 829.34627
4520.0000 -112.07877 -107.86693 4.21184 2.38122 -107.63789 805.49044
4525.0000 -113.27770 -108.41000 4.86771 2.35966 -107.91870 783.46370
4530.0000 -112.99872 -108.11768 4.88104 2.32408 -108.38200 793.17404
4535.0000 -113.50963 -109.14270 4.36693 2.32268 -108.40031 762.26634
4540.0000 -112.65447 -108.09974 4.55474 2.28413 -108.90241 744.26014
4545.0000 -112.39544 -107.37642 5.01902 2.33330 -108.26198 778.46833
4550.0000 -112.40012 -107.01894 5.38118 2.41164 -107.24166 812.61565
4555.0000 -113.11096 -107.64829 5.46267 2.38564 -107.58033 783.80971
4560.0000 -112.52690 -108.22749 4.29942 2.37435 -107.72737 808.03437
4565.0000 -112.85644 -108.54601 4.31044 2.27299 -109.04749 741.47322
4570.0000 -111.80295 -108.08175 3.72120 2.33068 -108.29613 763.17981
4575.0000 -113.40166 -108.94001 4.46165 2.29575 -108.75105 744.75090
4580.0000 -113.22394 -107.17503 6.04892 2.37555 -107.71167 797.87902
4585.0000 -113.16939 -107.23000 5.93939 2.43056 -106.99529 839.50170
4590.0000 -112.64373 -107.15196 5.49177 2.41435 -107.20638 851.02417
4595.0000 -112.93951 -108.56077 4.37874 2.34583 -108.09874 768.54395
4600.0000 -112.89340 -108.15214 4.74126 2.36886 -107.79885 800.48054
4605.0000 -112.56177 -107.32960 5.23218 2.36662 -107.82805 818.95432
4610.0000 -111.79512 -106.89642 4.89870 2.36487 -107.85085 785.83144
4615.0000 -112.27580 -107.17985 5.09595 2.37771 -107.68362 797.13644
4620.0000 -114.07805 -108.93487 5.14317 2.36365 -107.86672 797.75654
4625.0000 -112.94601 -108.07161 4.87440 2.30608 -108.61652 763.60827
4630.0000 -112.61191 -107.44593 5.16599 2.35321 -108.00273 782.91966
4635.0000 -113.27393 -107.69273 5.58120 2.35794 -107.94110 800.85608
4640.0000 -112.65443 -108.40509 4.24934 2.36101 -107.90105 812.95612
4645.0000 -112.74051 -107.55706 5.18345 2.31169 -108.54345 767.62686
4650.0000 -113.05164 -108.52173 4.52991 2.33359 -108.25816 780.81920
4655.0000 -113.70037 -108.78310 4.91726 2.31330 -108.52241 783.15211
4660.0000 -113.38865 -108.40313 4.98552 2.25998 -109.21689 737.97200
4665.0000 -113.89647 -110.01359 3.88288 2.26915 -109.09748 752.49963
4670.0000 -113.64953 -108.44793 5.20159 2.28499 -108.89110 726.85429
4675.0000 -112.34245 -107.29170 5.05075 2.34440 -108.11736 789.21608
4680.0000 -112.65337 -108.26265 4.39072 2.29422 -108.77098 755.21645
4685.0000 -112.30889 -107.50816 4.80073 2.27212 -109.05873 745.33992
4690.0000 -112.94999 -108.26824 4.68175 2.35322 -108.00253 821.58610
4695.0000 -114.15605 -108.23961 5.91644 2.34749 -108.07716 793.70238
4700.0000 -113.13903 -107.84278 5.29625 2.35849 -107.93397 803.79621
4705.0000 -112.87534 -108.75017 4.12517 2.32663 -108.34881 779.61881
4710.0000 -114.20567 -109.86438 4.34129 2.24606 -109.39814 713.50595
4715.0000 -113.85390 -109.63434 4.21956 2.19653 -110.04323 675.93834
4720.0000 -113.44947 -108.88985 4.55962 2.26755 -109.11831 716.94406
4725.0000 -112.93166 -107.47472 5.45694 2.36283 -107.87736 783.02253
4730.0000 -112.32047 -107.48226 4.83821 2.34628 -108.09289 764.84952
4735.0000 -114.10562 -109.31096 4.79466 2.29648 -108.74147 736.86701
4740.0000 -112.03271 -107.60195 4.43076 2.34140 -108.15653 778.10750
4745.0000 -112.39200 -107.24609 5.14592 2.42415 -107.07874 876.27455
4750.0000 -112.36377 -108.28715 4.07662 2.33696 -108.21425 796.95221
FREEZING PROCESS: loop number 20 T-loop= 741.00000000000000
main_MD> interactions number 20 at Temperature= 741.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44350 1.66051 0.71154
force_rgl> df(natom) -2.06484 1.05386 3.98581
4755.0000 -113.69346 -108.94584 4.74761 2.27670 -108.99911 729.74982
4760.0000 -114.28720 -109.04658 5.24062 2.28175 -108.93329 721.88995
4765.0000 -113.77159 -109.21256 4.55903 2.27403 -109.03388 724.98987
4770.0000 -113.02917 -107.79782 5.23135 2.31341 -108.52098 762.81411
4775.0000 -113.21129 -108.75860 4.45269 2.30360 -108.64879 743.21967
4780.0000 -112.80241 -109.49192 3.31048 2.29170 -108.80371 728.27463
4785.0000 -112.76213 -108.30280 4.45933 2.30930 -108.57457 745.64279
4790.0000 -111.85163 -107.40784 4.44379 2.42499 -107.06782 814.56210
4795.0000 -111.26544 -106.59230 4.67314 2.39785 -107.42126 790.64982
4800.0000 -111.61151 -105.76927 5.84223 2.49177 -106.19817 881.81203
4805.0000 -112.49756 -107.15759 5.33997 2.43034 -106.99812 865.48068
4810.0000 -113.59187 -109.31853 4.27334 2.31973 -108.43872 739.55912
4815.0000 -114.53286 -110.36168 4.17118 2.25260 -109.31296 688.39493
4820.0000 -114.16426 -110.55781 3.60645 2.16848 -110.40854 627.90452
4825.0000 -114.69700 -109.98195 4.71505 2.18819 -110.15178 680.63641
4830.0000 -112.84980 -108.43951 4.41029 2.24694 -109.38673 731.29945
4835.0000 -112.35040 -108.01352 4.33688 2.34389 -108.12405 794.75643
4840.0000 -112.97227 -108.22923 4.74304 2.33899 -108.18789 764.55746
4845.0000 -113.54943 -109.06758 4.48185 2.31218 -108.53701 779.09468
4850.0000 -112.05404 -108.21894 3.83509 2.27097 -109.07378 714.26988
4855.0000 -113.41168 -107.91286 5.49882 2.35485 -107.98137 747.39629
4860.0000 -113.75517 -109.89727 3.85790 2.26276 -109.18066 685.01168
4865.0000 -113.49269 -110.29369 3.19900 2.23506 -109.54139 696.71476
4870.0000 -113.99794 -110.14815 3.84979 2.17274 -110.35302 642.88734
4875.0000 -112.44955 -108.26402 4.18553 2.25703 -109.25527 694.84962
4880.0000 -113.04241 -108.75323 4.28918 2.34302 -108.13540 773.17109
4885.0000 -113.07427 -108.84002 4.23425 2.31477 -108.50331 766.01239
4890.0000 -112.94459 -108.03148 4.91311 2.36780 -107.81268 781.02447
4895.0000 -113.30818 -107.96977 5.33842 2.36972 -107.78767 787.50080
4900.0000 -112.51147 -107.32867 5.18280 2.35525 -107.97606 770.24092
4905.0000 -111.90713 -106.79074 5.11639 2.40942 -107.27056 795.91253
4910.0000 -111.14424 -107.03919 4.10505 2.39774 -107.42277 810.23204
4915.0000 -112.41392 -106.91369 5.50023 2.43610 -106.92312 860.01118
4920.0000 -111.81990 -107.57225 4.24765 2.41356 -107.21675 796.21495
4925.0000 -113.84869 -109.42599 4.42271 2.30569 -108.62159 734.69099
4930.0000 -113.98454 -109.25578 4.72876 2.26385 -109.16648 713.07010
4935.0000 -112.57553 -108.40681 4.16871 2.30567 -108.62186 749.09657
4940.0000 -112.79557 -108.11656 4.67901 2.36591 -107.83721 820.77521
4945.0000 -113.34610 -109.13489 4.21121 2.35975 -107.91756 800.30370
4950.0000 -113.64612 -108.36763 5.27849 2.30551 -108.62391 736.16348
4955.0000 -113.78542 -108.82901 4.95641 2.31994 -108.43603 768.42363
4960.0000 -114.00278 -109.75321 4.24958 2.23919 -109.48765 732.21143
4965.0000 -112.94917 -109.52402 3.42515 2.20870 -109.88465 681.08546
4970.0000 -112.23992 -107.62444 4.61549 2.30290 -108.65784 753.60810
4975.0000 -112.42437 -107.66946 4.75491 2.40015 -107.39131 820.62020
4980.0000 -112.99408 -108.02586 4.96822 2.35511 -107.97798 810.05897
4985.0000 -112.91265 -108.96470 3.94794 2.33919 -108.18521 759.34238
4990.0000 -113.89274 -109.12293 4.76980 2.31630 -108.48332 757.32332
4995.0000 -113.08507 -108.44951 4.63555 2.34204 -108.14818 767.64367
5000.0000 -113.72182 -109.32527 4.39655 2.28174 -108.93343 759.68617
FREEZING PROCESS: loop number 21 T-loop= 716.00000000000000
main_MD> interactions number 21 at Temperature= 716.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39308 -0.19007 -1.30199
force_rgl> df(natom) 1.54130 -0.12775 0.08910
5005.0000 -113.53205 -109.56948 3.96257 2.21113 -109.85302 676.17673
5010.0000 -113.41072 -108.21445 5.19627 2.26556 -109.14422 708.32909
5015.0000 -113.30755 -109.94914 3.35841 2.28773 -108.85543 734.28832
5020.0000 -113.84700 -109.81506 4.03194 2.20764 -109.89854 675.91570
5025.0000 -113.94237 -109.53439 4.40798 2.21593 -109.79055 692.06304
5030.0000 -113.99865 -109.52855 4.47010 2.26995 -109.08697 762.32096
5035.0000 -113.59869 -109.77823 3.82046 2.26996 -109.08684 740.42097
5040.0000 -114.26427 -108.61149 5.65278 2.29463 -108.76558 752.27161
5045.0000 -112.98711 -107.60054 5.38658 2.29248 -108.79361 768.17967
5050.0000 -114.57249 -109.46465 5.10784 2.32168 -108.41332 763.79070
5055.0000 -115.29997 -110.52652 4.77345 2.19778 -110.02687 703.56261
5060.0000 -114.71425 -110.39045 4.32381 2.13146 -110.89068 621.41084
5065.0000 -113.24936 -108.94048 4.30888 2.18141 -110.24018 668.77756
5070.0000 -113.67672 -109.39794 4.27877 2.29637 -108.74297 784.48739
5075.0000 -114.31457 -110.65434 3.66023 2.21751 -109.77001 702.54854
5080.0000 -114.68987 -110.46605 4.22382 2.17945 -110.26561 680.31213
5085.0000 -113.59151 -109.17185 4.41966 2.22341 -109.69318 669.66312
5090.0000 -112.85346 -108.73697 4.11649 2.25505 -109.28114 681.58379
5095.0000 -112.85701 -108.73870 4.11831 2.29400 -108.77381 725.54404
5100.0000 -113.16034 -108.56694 4.59339 2.31537 -108.49543 750.65554
5105.0000 -113.12694 -109.36865 3.75828 2.30246 -108.66367 786.73738
5110.0000 -113.66957 -109.77710 3.89247 2.26609 -109.13729 733.06086
5115.0000 -113.38631 -109.83152 3.55478 2.19493 -110.06401 669.84022
5120.0000 -113.51226 -108.46596 5.04630 2.26012 -109.21507 706.19369
5125.0000 -113.63813 -109.17428 4.46385 2.24560 -109.40414 697.75934
5130.0000 -113.12184 -108.97885 4.14299 2.31590 -108.48858 794.93353
5135.0000 -114.25240 -109.53019 4.72220 2.25384 -109.29689 706.59663
5140.0000 -113.32167 -108.76419 4.55748 2.23902 -109.48990 712.38233
5145.0000 -113.66811 -110.03379 3.63432 2.21982 -109.73991 705.31060
5150.0000 -113.86059 -109.32230 4.53829 2.25231 -109.31677 710.18717
5155.0000 -113.61397 -109.03641 4.57757 2.23369 -109.55924 707.20285
5160.0000 -113.04893 -107.92452 5.12441 2.29414 -108.77204 755.63306
5165.0000 -112.12482 -107.87655 4.24827 2.40479 -107.33094 833.23945
5170.0000 -112.87026 -108.32677 4.54349 2.30880 -108.58100 733.86412
5175.0000 -114.09966 -109.08297 5.01669 2.28270 -108.92098 730.13848
5180.0000 -112.82946 -108.11623 4.71323 2.32212 -108.40756 754.10733
5185.0000 -114.51092 -109.66741 4.84351 2.22915 -109.61836 713.19925
5190.0000 -112.09253 -108.45826 3.63427 2.26799 -109.11251 725.80850
5195.0000 -113.90032 -108.76125 5.13907 2.31747 -108.46815 747.57021
5200.0000 -113.92209 -109.06767 4.85441 2.31477 -108.50325 764.77965
5205.0000 -113.20408 -108.56588 4.63819 2.31229 -108.53559 765.96477
5210.0000 -113.75419 -109.42101 4.33318 2.30388 -108.64510 774.45259
5215.0000 -112.90372 -108.72611 4.17760 2.30377 -108.64651 748.86690
5220.0000 -113.14139 -108.36763 4.77376 2.30625 -108.61426 742.74559
5225.0000 -112.48541 -108.72097 3.76444 2.29161 -108.80493 741.15696
5230.0000 -114.16238 -108.95223 5.21015 2.31962 -108.44020 763.64550
5235.0000 -113.50873 -108.54406 4.96467 2.33566 -108.23124 750.80539
5240.0000 -114.65653 -109.74468 4.91184 2.24479 -109.41465 701.36763
5245.0000 -113.62806 -109.76546 3.86261 2.19557 -110.05573 676.06335
5250.0000 -112.79282 -108.79200 4.00082 2.23673 -109.51963 698.43257
FREEZING PROCESS: loop number 22 T-loop= 691.00000000000000
main_MD> interactions number 22 at Temperature= 691.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.71062 1.26463 1.54912
force_rgl> df(natom) 6.38595 1.38116 0.11207
5255.0000 -113.06383 -108.95098 4.11285 2.28611 -108.87658 730.33492
5260.0000 -114.92453 -110.81139 4.11314 2.19789 -110.02545 693.21832
5265.0000 -114.42814 -110.21694 4.21120 2.16013 -110.51726 644.70483
5270.0000 -113.93420 -110.45928 3.47492 2.13055 -110.90254 614.88542
5275.0000 -114.21443 -110.90877 3.30566 2.18869 -110.14526 642.48893
5280.0000 -114.42917 -110.35645 4.07272 2.11568 -111.09619 620.21473
5285.0000 -114.06099 -109.80938 4.25161 2.16562 -110.44574 657.32732
5290.0000 -113.54667 -109.72264 3.82402 2.21159 -109.84705 692.10042
5295.0000 -113.20465 -109.04356 4.16109 2.25651 -109.26201 711.59466
5300.0000 -112.88343 -108.51120 4.37223 2.33006 -108.30415 775.97301
5305.0000 -113.41200 -109.40031 4.01168 2.25597 -109.26906 698.87252
5310.0000 -113.65189 -108.91358 4.73831 2.28146 -108.93713 712.40481
5315.0000 -112.11269 -107.70330 4.40939 2.32473 -108.37361 759.91440
5320.0000 -112.28958 -106.91132 5.37826 2.42280 -107.09632 830.50267
5325.0000 -112.85219 -108.61406 4.23813 2.34786 -108.07234 801.41960
5330.0000 -114.15513 -109.09707 5.05807 2.27873 -108.97262 722.98207
5335.0000 -113.50807 -108.98159 4.52649 2.25622 -109.26586 684.58878
5340.0000 -114.38253 -110.50830 3.87423 2.25325 -109.30450 701.83421
5345.0000 -114.03490 -110.36637 3.66853 2.17648 -110.30428 651.07633
5350.0000 -114.38441 -110.14282 4.24159 2.19743 -110.03150 670.89131
5355.0000 -114.07180 -109.42429 4.64751 2.24839 -109.36781 712.48226
5360.0000 -114.58437 -110.10565 4.47873 2.18947 -110.13515 678.01077
5365.0000 -114.75576 -110.76233 3.99344 2.15849 -110.53868 661.47865
5370.0000 -114.11318 -109.59412 4.51906 2.15796 -110.54556 665.12381
5375.0000 -114.44012 -110.45712 3.98300 2.25778 -109.24556 735.26966
5380.0000 -112.97775 -109.26465 3.71309 2.19194 -110.10301 673.88117
5385.0000 -112.84773 -108.08553 4.76221 2.26368 -109.16873 722.29986
5390.0000 -113.82498 -109.37971 4.44527 2.25416 -109.29266 718.80441
5395.0000 -114.91552 -110.42439 4.49114 2.16985 -110.39075 689.24934
5400.0000 -114.23914 -111.10464 3.13450 2.13685 -110.82047 633.23767
5405.0000 -114.41402 -110.91900 3.49502 2.12367 -110.99217 607.17605
5410.0000 -114.26298 -110.63630 3.62668 2.15765 -110.54961 643.10377
5415.0000 -114.92834 -110.63931 4.28903 2.14801 -110.67517 661.39435
5420.0000 -114.79469 -111.23395 3.56073 2.09869 -111.31745 602.02133
5425.0000 -114.10273 -110.71120 3.39154 2.13777 -110.80844 631.14306
5430.0000 -114.00120 -110.34868 3.65252 2.15297 -110.61052 646.84281
5435.0000 -114.12083 -109.66815 4.45268 2.21557 -109.79524 697.41937
5440.0000 -112.95039 -108.79242 4.15797 2.27623 -109.00521 740.27852
5445.0000 -114.43016 -111.01885 3.41131 2.20050 -109.99146 667.94716
5450.0000 -115.08189 -110.80759 4.27430 2.15627 -110.56751 657.20337
5455.0000 -113.33671 -108.91112 4.42559 2.21123 -109.85175 719.81689
5460.0000 -113.59846 -109.14044 4.45803 2.27889 -108.97055 745.39560
5465.0000 -114.58228 -110.97896 3.60331 2.15799 -110.54516 622.92062
5470.0000 -113.50239 -109.34518 4.15721 2.23036 -109.60258 706.31007
5475.0000 -112.92835 -109.27546 3.65289 2.25815 -109.24067 722.53571
5480.0000 -113.96845 -109.68767 4.28078 2.22950 -109.61384 713.09983
5485.0000 -113.46394 -109.88890 3.57504 2.21800 -109.76360 697.79699
5490.0000 -113.10845 -109.90655 3.20190 2.21810 -109.76224 723.97765
5495.0000 -115.16828 -109.93996 5.22832 2.20080 -109.98766 691.54522
5500.0000 -112.94454 -108.75672 4.18782 2.23960 -109.48230 724.57414
FREEZING PROCESS: loop number 23 T-loop= 666.00000000000000
main_MD> interactions number 23 at Temperature= 666.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.50286 -0.24509 0.10233
force_rgl> df(natom) -3.56641 0.09353 -1.37132
5505.0000 -114.08771 -110.43658 3.65113 2.23916 -109.48796 705.39258
5510.0000 -113.97436 -110.28462 3.68974 2.18394 -110.20721 648.68904
5515.0000 -113.39516 -110.02079 3.37437 2.20554 -109.92583 673.07337
5520.0000 -113.33631 -109.74689 3.58943 2.20763 -109.89864 675.96949
5525.0000 -115.03010 -110.68074 4.34935 2.19609 -110.04888 655.26570
5530.0000 -113.76028 -110.03230 3.72798 2.14976 -110.65228 638.85437
5535.0000 -114.22791 -109.20784 5.02008 2.24445 -109.41910 702.35294
5540.0000 -114.12846 -109.36958 4.75888 2.29366 -108.77825 767.34132
5545.0000 -113.96360 -109.24062 4.72298 2.24209 -109.44984 718.55429
5550.0000 -114.22387 -108.87623 5.34764 2.25097 -109.33422 718.58269
5555.0000 -114.29866 -110.22848 4.07018 2.22096 -109.72511 712.37518
5560.0000 -113.88416 -110.26978 3.61438 2.18718 -110.16504 670.29870
5565.0000 -114.07790 -109.87756 4.20034 2.17108 -110.37460 642.85004
5570.0000 -114.57722 -110.92401 3.65320 2.13793 -110.80639 629.07076
5575.0000 -115.33543 -111.56446 3.77096 2.12532 -110.97066 623.27183
5580.0000 -114.71121 -110.99529 3.71592 2.08840 -111.45144 598.11192
5585.0000 -114.82510 -110.77512 4.04998 2.15924 -110.52884 654.81392
5590.0000 -114.77752 -111.56220 3.21532 2.11022 -111.16725 611.61758
5595.0000 -114.90957 -110.06939 4.84018 2.16612 -110.43933 669.59200
5600.0000 -113.79234 -109.44938 4.34296 2.18868 -110.14541 671.45380
5605.0000 -114.31480 -110.08527 4.22953 2.17769 -110.28864 674.40443
5610.0000 -114.33463 -110.19237 4.14225 2.20249 -109.96554 699.96769
5615.0000 -114.68599 -110.29375 4.39224 2.16121 -110.50315 648.65984
5620.0000 -114.51173 -111.13340 3.37833 2.13426 -110.85422 637.22886
5625.0000 -113.89149 -110.26815 3.62335 2.14208 -110.75240 630.34882
5630.0000 -114.30784 -110.12932 4.17853 2.18047 -110.25231 680.21947
5635.0000 -114.01955 -109.74777 4.27178 2.22152 -109.71778 672.25280
5640.0000 -114.34530 -110.22769 4.11761 2.20330 -109.95501 677.18696
5645.0000 -114.97491 -112.30798 2.66693 2.09465 -111.37002 613.54729
5650.0000 -114.06418 -109.84314 4.22104 2.07973 -111.56433 599.85415
5655.0000 -114.59062 -110.53466 4.05596 2.16494 -110.45459 653.54577
5660.0000 -114.79279 -109.94383 4.84896 2.17642 -110.30509 664.13595
5665.0000 -114.21709 -110.32772 3.88937 2.17667 -110.30183 674.41808
5670.0000 -114.53930 -110.52583 4.01347 2.16879 -110.40453 673.16305
5675.0000 -114.12375 -110.54977 3.57398 2.16398 -110.46710 635.52478
5680.0000 -113.90027 -109.94769 3.95259 2.22972 -109.61099 673.00508
5685.0000 -114.42875 -109.94988 4.47887 2.19407 -110.07522 659.57845
5690.0000 -113.87904 -109.61341 4.26562 2.20530 -109.92901 667.60562
5695.0000 -114.21524 -109.50103 4.71421 2.23194 -109.58202 696.95946
5700.0000 -114.52027 -109.98896 4.53132 2.28388 -108.90566 752.79503
5705.0000 -114.61721 -110.21462 4.40259 2.20206 -109.97119 684.31510
5710.0000 -114.17506 -110.67167 3.50339 2.14608 -110.70019 661.10322
5715.0000 -114.01121 -109.97270 4.03851 2.16346 -110.47393 653.39863
5720.0000 -113.72386 -109.80621 3.91765 2.21991 -109.73877 674.06144
5725.0000 -113.63013 -110.36384 3.26630 2.19997 -109.99838 681.58788
5730.0000 -113.56527 -109.68342 3.88184 2.19975 -110.00124 696.96456
5735.0000 -114.54106 -109.29726 5.24379 2.22347 -109.69242 699.31391
5740.0000 -114.31740 -110.05750 4.25989 2.23776 -109.50625 714.35770
5745.0000 -113.71823 -109.18957 4.52866 2.21763 -109.76843 699.65983
5750.0000 -112.74473 -108.93933 3.80540 2.28019 -108.95362 726.45814
FREEZING PROCESS: loop number 24 T-loop= 641.00000000000000
main_MD> interactions number 24 at Temperature= 641.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52060 1.01969 0.69877
force_rgl> df(natom) -0.21159 -0.07141 0.50811
5755.0000 -114.81227 -110.58591 4.22636 2.21220 -109.83915 652.96525
5760.0000 -114.10019 -110.28103 3.81916 2.18238 -110.22748 665.16282
5765.0000 -114.15968 -109.27236 4.88732 2.20434 -109.94144 663.55123
5770.0000 -113.99930 -109.12358 4.87572 2.26816 -109.11031 700.94756
5775.0000 -113.25405 -109.64528 3.60878 2.25660 -109.26092 706.85911
5780.0000 -114.04188 -109.91819 4.12368 2.22148 -109.71824 695.18577
5785.0000 -113.99402 -110.49669 3.49733 2.16379 -110.46956 646.42035
5790.0000 -114.17719 -110.28961 3.88758 2.19153 -110.10834 680.88418
5795.0000 -114.29152 -110.79935 3.49217 2.18988 -110.12984 661.72710
5800.0000 -115.56169 -111.31544 4.24625 2.17442 -110.33122 696.12866
5805.0000 -115.02301 -111.08716 3.93585 2.09451 -111.37193 591.28667
5810.0000 -114.81680 -110.21692 4.59988 2.14908 -110.66119 638.03441
5815.0000 -115.34086 -110.63798 4.70288 2.11112 -111.15557 616.06260
5820.0000 -114.73703 -110.69373 4.04330 2.12104 -111.02631 617.75781
5825.0000 -114.81681 -111.10235 3.71446 2.15923 -110.52902 646.63724
5830.0000 -114.35500 -109.79927 4.55574 2.17592 -110.31167 643.61793
5835.0000 -113.66430 -110.09603 3.56828 2.19935 -110.00643 648.28849
5840.0000 -113.69229 -110.09592 3.59636 2.22282 -109.70087 680.68169
5845.0000 -114.54012 -110.67717 3.86296 2.14219 -110.75090 626.98320
5850.0000 -114.45359 -110.90845 3.54513 2.13000 -110.90971 630.95052
5855.0000 -115.00976 -111.17366 3.83610 2.12914 -110.92089 629.33429
5860.0000 -115.71803 -111.12039 4.59764 2.08926 -111.44023 596.84517
5865.0000 -115.19732 -111.60842 3.58890 2.11664 -111.08374 590.76063
5870.0000 -115.28914 -112.39241 2.89672 2.04486 -112.01852 549.95435
5875.0000 -114.25908 -110.63766 3.62142 2.10670 -111.21316 583.31370
5880.0000 -115.08038 -111.32544 3.75494 2.14806 -110.67452 637.65675
5885.0000 -115.73196 -111.23503 4.49693 2.13612 -110.82992 651.96091
5890.0000 -114.06503 -110.83354 3.23149 2.13375 -110.86087 632.31483
5895.0000 -114.76155 -110.83223 3.92932 2.13640 -110.82630 620.60164
5900.0000 -114.10404 -110.11101 3.99303 2.15934 -110.52751 646.92521
5905.0000 -114.99811 -111.47838 3.51973 2.15151 -110.62959 641.35694
5910.0000 -113.94381 -109.89723 4.04658 2.19231 -110.09818 665.35415
5915.0000 -114.70305 -110.65933 4.04372 2.16647 -110.43476 646.46825
5920.0000 -114.62026 -110.49890 4.12136 2.17749 -110.29118 660.72543
5925.0000 -114.50203 -110.11680 4.38523 2.18522 -110.19050 660.70690
5930.0000 -114.40430 -109.97503 4.42927 2.22820 -109.63082 721.82855
5935.0000 -114.68620 -110.46802 4.21818 2.14615 -110.69938 637.40680
5940.0000 -115.07275 -111.54651 3.52624 2.13232 -110.87949 639.15029
5945.0000 -114.93725 -110.02554 4.91171 2.11596 -111.09249 627.04749
5950.0000 -114.15343 -110.68382 3.46961 2.15108 -110.63512 657.27689
5955.0000 -115.73491 -112.12320 3.61171 2.13284 -110.87273 641.90586
5960.0000 -114.81699 -110.97615 3.84084 2.04718 -111.98834 570.64024
5965.0000 -115.95802 -112.36611 3.59192 2.07811 -111.58542 577.69419
5970.0000 -115.34672 -111.34307 4.00365 2.08237 -111.53006 606.31685
5975.0000 -114.82370 -111.02182 3.80188 2.07292 -111.65311 574.62413
5980.0000 -114.46108 -110.95043 3.51065 2.11972 -111.04354 617.70249
5985.0000 -115.35997 -112.45806 2.90191 2.06258 -111.78771 568.57790
5990.0000 -114.43379 -110.79439 3.63940 2.08538 -111.49083 576.90191
5995.0000 -114.78786 -111.06368 3.72418 2.13586 -110.83333 609.19814
6000.0000 -114.54076 -110.99741 3.54335 2.13607 -110.83065 630.36370
FREEZING PROCESS: loop number 25 T-loop= 616.00000000000000
main_MD> interactions number 25 at Temperature= 616.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75169 -0.53413 3.55452
force_rgl> df(natom) 2.90393 1.55627 0.31208
6005.0000 -114.53391 -110.87488 3.65903 2.10004 -111.29988 596.86212
6010.0000 -114.98513 -111.39645 3.58868 2.08535 -111.49120 615.97925
6015.0000 -114.96827 -110.97659 3.99168 2.07236 -111.66039 580.53711
6020.0000 -115.04264 -111.59485 3.44779 2.11754 -111.07193 617.85112
6025.0000 -114.75540 -111.15088 3.60453 2.08552 -111.48896 605.70296
6030.0000 -114.67070 -111.19930 3.47139 2.13007 -110.90871 606.58878
6035.0000 -115.18554 -111.45043 3.73511 2.07163 -111.66988 572.82520
6040.0000 -114.76709 -110.38832 4.37877 2.12667 -110.95304 637.49737
6045.0000 -114.19764 -110.23000 3.96764 2.17146 -110.36978 649.29685
6050.0000 -113.86773 -109.77897 4.08876 2.19452 -110.06941 669.55077
6055.0000 -114.44001 -110.11487 4.32514 2.17626 -110.30720 628.55699
6060.0000 -114.62876 -110.81973 3.80903 2.16166 -110.49731 668.05640
6065.0000 -114.06662 -109.92624 4.14038 2.19461 -110.06827 677.62377
6070.0000 -114.81083 -110.94201 3.86882 2.13568 -110.83568 642.14651
6075.0000 -115.55223 -112.14920 3.40303 2.05433 -111.89515 571.56115
6080.0000 -114.44676 -110.85890 3.58786 2.06641 -111.73781 588.31046
6085.0000 -115.12730 -111.11573 4.01157 2.13407 -110.85671 624.98327
6090.0000 -115.37912 -111.68338 3.69574 2.08371 -111.51252 574.51783
6095.0000 -114.67654 -111.02923 3.64731 2.08145 -111.54202 577.43505
6100.0000 -114.88905 -110.94458 3.94447 2.13899 -110.79262 629.57160
6105.0000 -114.28875 -110.03219 4.25656 2.14904 -110.66167 636.16047
6110.0000 -114.25690 -110.75177 3.50513 2.13486 -110.84639 618.08713
6115.0000 -114.90324 -111.68994 3.21330 2.14506 -110.71348 622.70446
6120.0000 -115.18973 -112.04097 3.14877 2.05896 -111.83485 551.65837
6125.0000 -115.95038 -112.26055 3.68982 2.05253 -111.91861 589.86579
6130.0000 -114.99035 -111.19820 3.79215 2.06035 -111.81675 600.82297
6135.0000 -114.04173 -110.21341 3.82832 2.13355 -110.86351 649.11787
6140.0000 -114.96065 -110.82832 4.13233 2.14541 -110.70892 632.31893
6145.0000 -115.02824 -110.95183 4.07641 2.15090 -110.63748 660.10200
6150.0000 -115.01331 -110.84259 4.17072 2.08112 -111.54623 589.65116
6155.0000 -115.39098 -112.04094 3.35004 2.10307 -111.26040 627.63266
6160.0000 -115.00753 -111.67729 3.33024 2.08743 -111.46404 611.82014
6165.0000 -114.29224 -110.58508 3.70716 2.15498 -110.58440 652.21405
6170.0000 -113.89513 -109.92905 3.96609 2.19291 -110.09039 656.52636
6175.0000 -114.13073 -110.83333 3.29740 2.23918 -109.48781 711.46432
6180.0000 -115.22628 -110.81217 4.41411 2.11778 -111.06881 614.03871
6185.0000 -114.65383 -110.91566 3.73817 2.14436 -110.72266 629.13916
6190.0000 -115.24261 -111.45946 3.78316 2.13845 -110.79961 611.82882
6195.0000 -114.88173 -111.69423 3.18750 2.11953 -111.04601 609.67235
6200.0000 -113.85284 -110.20383 3.64901 2.11129 -111.15329 607.03145
6205.0000 -114.70461 -111.02291 3.68170 2.12776 -110.93884 625.04218
6210.0000 -114.59262 -110.35406 4.23856 2.13275 -110.87388 641.25528
6215.0000 -113.96169 -109.67904 4.28265 2.17920 -110.26891 688.77678
6220.0000 -114.64967 -110.49520 4.15447 2.18467 -110.19770 663.88190
6225.0000 -114.66208 -111.18486 3.47722 2.08668 -111.47380 582.13947
6230.0000 -113.97315 -110.46101 3.51215 2.14830 -110.67134 646.77069
6235.0000 -114.90965 -111.51567 3.39398 2.12781 -110.93816 610.30832
6240.0000 -114.66048 -110.72633 3.93415 2.11368 -111.12218 592.61071
6245.0000 -114.41070 -111.14740 3.26330 2.15691 -110.55916 648.44665
6250.0000 -113.88502 -109.71626 4.16876 2.18466 -110.19775 668.71666
FREEZING PROCESS: loop number 26 T-loop= 591.00000000000000
main_MD> interactions number 26 at Temperature= 591.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.67134 0.90280 4.19626
force_rgl> df(natom) 2.01424 -0.05476 -0.38310
6255.0000 -114.57378 -111.23710 3.33668 2.16227 -110.48941 605.67361
6260.0000 -114.88888 -111.21044 3.67844 2.13190 -110.88499 618.55886
6265.0000 -115.41648 -111.71874 3.69774 2.09136 -111.41292 591.34782
6270.0000 -114.95885 -110.91229 4.04656 2.11211 -111.14268 604.23921
6275.0000 -114.65158 -110.63461 4.01697 2.15001 -110.64903 647.49392
6280.0000 -115.59256 -111.29928 4.29328 2.09905 -111.31272 604.04781
6285.0000 -115.16083 -111.88793 3.27290 2.06189 -111.79676 553.37894
6290.0000 -114.64501 -110.96208 3.68293 2.08098 -111.54811 568.20975
6295.0000 -114.50687 -110.72932 3.77755 2.11171 -111.14790 595.63117
6300.0000 -115.09071 -110.99070 4.10001 2.12865 -110.92732 636.21401
6305.0000 -114.79667 -111.39377 3.40290 2.12884 -110.92481 621.66277
6310.0000 -115.96887 -112.00679 3.96208 2.03705 -112.12028 550.07881
6315.0000 -115.26692 -112.09999 3.16693 2.01416 -112.41835 552.05582
6320.0000 -115.43366 -112.04169 3.39197 2.03988 -112.08335 569.52326
6325.0000 -114.67664 -111.73736 2.93928 2.04112 -112.06726 557.27661
6330.0000 -115.94784 -112.88656 3.06129 2.01890 -112.35665 546.70071
6335.0000 -115.84958 -113.15635 2.69323 1.99412 -112.67931 484.51363
6340.0000 -115.76647 -112.20566 3.56081 2.03599 -112.13405 537.33593
6345.0000 -115.43582 -111.26340 4.17242 2.04809 -111.97649 563.54631
6350.0000 -114.65809 -111.39535 3.26274 2.11380 -111.12064 614.93948
6355.0000 -115.45900 -111.95951 3.49949 2.07721 -111.59720 583.65022
6360.0000 -113.37018 -109.90422 3.46596 2.07960 -111.56610 586.85916
6365.0000 -114.35894 -109.99791 4.36102 2.19107 -110.11428 677.68778
6370.0000 -114.66193 -111.08215 3.57979 2.18375 -110.20966 663.60050
6375.0000 -115.20069 -111.36587 3.83482 2.08574 -111.48614 579.81909
6380.0000 -114.35845 -110.86253 3.49592 2.09762 -111.33136 587.18250
6385.0000 -115.44009 -111.98553 3.45456 2.10996 -111.17071 598.06264
6390.0000 -115.69328 -112.19340 3.49988 2.02681 -112.25362 537.77830
6395.0000 -115.19381 -112.29915 2.89466 2.02727 -112.24759 575.74662
6400.0000 -115.12509 -112.25997 2.86512 2.01763 -112.37312 537.71122
6405.0000 -114.80714 -111.86891 2.93824 2.05785 -111.84935 541.40407
6410.0000 -114.57359 -111.67347 2.90012 2.07199 -111.66513 557.92164
6415.0000 -114.87624 -111.08095 3.79530 2.05019 -111.94911 578.25165
6420.0000 -114.40682 -110.74625 3.66057 2.12737 -110.94395 629.35074
6425.0000 -113.93577 -110.25311 3.68266 2.14702 -110.68801 659.57289
6430.0000 -114.11278 -109.89983 4.21295 2.19571 -110.05391 667.29172
6435.0000 -113.93933 -110.32505 3.61429 2.19741 -110.03172 658.40569
6440.0000 -114.01579 -110.18700 3.82879 2.18462 -110.19835 653.21220
6445.0000 -114.13868 -110.46933 3.66935 2.14427 -110.72380 634.08676
6450.0000 -115.47771 -111.68591 3.79180 2.09415 -111.37652 594.67288
6455.0000 -115.80994 -111.49921 4.31074 2.08609 -111.48152 584.78542
6460.0000 -115.28687 -110.98300 4.30387 2.12207 -111.01291 614.35830
6465.0000 -115.21251 -111.68636 3.52615 2.13216 -110.88155 616.30655
6470.0000 -114.84218 -111.29870 3.54347 2.09857 -111.31900 597.09228
6475.0000 -115.57512 -111.37853 4.19658 2.12402 -110.98756 613.91242
6480.0000 -114.42279 -110.25274 4.17005 2.14194 -110.75414 636.98697
6485.0000 -114.11270 -109.89140 4.22130 2.17523 -110.32058 674.46993
6490.0000 -114.73371 -110.64580 4.08791 2.15517 -110.58185 619.08400
6495.0000 -115.00636 -111.90541 3.10095 2.10675 -111.21248 605.36537
6500.0000 -115.23118 -111.36525 3.86593 2.06174 -111.79873 560.29898
FREEZING PROCESS: loop number 27 T-loop= 566.00000000000000
main_MD> interactions number 27 at Temperature= 566.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54567 -2.71129 0.19388
force_rgl> df(natom) -0.60871 1.84533 -0.51796
6505.0000 -115.08186 -111.89612 3.18574 2.06661 -111.73520 553.81609
6510.0000 -114.49945 -111.60142 2.89803 2.05555 -111.87923 589.15767
6515.0000 -115.37514 -112.53193 2.84320 2.04529 -112.01294 573.54802
6520.0000 -116.46747 -113.05771 3.40976 1.99998 -112.60304 537.06548
6525.0000 -115.94571 -112.20190 3.74381 2.01646 -112.38832 553.85799
6530.0000 -115.37033 -112.39724 2.97308 2.00515 -112.53566 541.24003
6535.0000 -115.51140 -111.97224 3.53915 2.05213 -111.92388 582.98892
6540.0000 -114.83414 -111.11411 3.72003 2.08149 -111.54141 586.35815
6545.0000 -115.91619 -111.87801 4.03818 2.09212 -111.40301 583.52921
6550.0000 -114.92951 -111.64258 3.28693 2.05831 -111.84336 555.56811
6555.0000 -114.78148 -110.69463 4.08684 2.09840 -111.32120 557.80385
6560.0000 -114.97082 -111.34741 3.62341 2.13005 -110.90905 594.22988
6565.0000 -114.74345 -110.62053 4.12292 2.09482 -111.36785 606.04114
6570.0000 -115.44108 -112.19191 3.24918 2.08905 -111.44295 590.52730
6575.0000 -115.84985 -112.64529 3.20456 2.00050 -112.59620 521.05099
6580.0000 -115.58629 -111.86632 3.71997 2.03294 -112.17380 563.69511
6585.0000 -115.01766 -110.65175 4.36591 2.09798 -111.32665 608.37329
6590.0000 -115.30858 -111.92706 3.38152 2.07797 -111.58724 557.54436
6595.0000 -115.97654 -111.99880 3.97775 2.06554 -111.74916 566.81451
6600.0000 -114.96364 -111.88456 3.07908 2.03455 -112.15284 549.31352
6605.0000 -113.90792 -110.14995 3.75797 2.09237 -111.39978 584.61523
6610.0000 -115.20292 -111.34754 3.85538 2.15877 -110.53505 659.77397
6615.0000 -115.30147 -112.18822 3.11325 2.08352 -111.51500 573.59358
6620.0000 -115.20029 -112.07420 3.12608 2.05465 -111.89104 533.57296
6625.0000 -115.58671 -111.89900 3.68772 2.05213 -111.92380 551.83004
6630.0000 -115.46699 -111.54100 3.92600 2.08329 -111.51796 587.95568
6635.0000 -115.89394 -112.24973 3.64422 2.03113 -112.19733 529.00873
6640.0000 -115.43558 -111.74201 3.69357 2.04429 -112.02598 550.58199
6645.0000 -115.20062 -112.39506 2.80556 2.02790 -112.23944 547.27213
6650.0000 -115.92657 -111.62003 4.30654 2.05741 -111.85513 571.63805
6655.0000 -114.98403 -111.58669 3.39733 2.06397 -111.76958 542.66996
6660.0000 -115.30481 -112.25990 3.04491 2.06121 -111.80551 553.34476
6665.0000 -114.92770 -111.75094 3.17676 2.04052 -112.07508 555.29350
6670.0000 -115.70202 -111.56360 4.13841 2.05847 -111.84128 574.50759
6675.0000 -115.63897 -112.63879 3.00019 2.04409 -112.02848 538.16548
6680.0000 -114.44862 -110.82346 3.62516 2.06970 -111.69497 568.09529
6685.0000 -114.71371 -111.26522 3.44850 2.07089 -111.67953 567.67314
6690.0000 -114.69738 -111.48172 3.21566 2.07649 -111.60655 583.01984
6695.0000 -115.15971 -111.81769 3.34202 2.10037 -111.29556 583.09773
6700.0000 -115.30579 -111.59636 3.70944 2.05395 -111.90013 572.04962
6705.0000 -115.32627 -111.69593 3.63034 2.08152 -111.54110 593.99102
6710.0000 -116.22843 -113.66657 2.56186 2.05474 -111.88979 566.37606
6715.0000 -116.12921 -113.56625 2.56297 1.91056 -113.76761 443.61711
6720.0000 -114.67745 -111.53410 3.14334 2.00552 -112.53092 529.88281
6725.0000 -115.31399 -111.58166 3.73233 2.06496 -111.75670 569.93817
6730.0000 -115.73345 -112.42703 3.30643 2.05192 -111.92656 570.30539
6735.0000 -116.27544 -113.56871 2.70673 2.00172 -112.58039 516.54361
6740.0000 -115.90347 -112.63220 3.27128 1.95398 -113.20203 501.82323
6745.0000 -115.50865 -112.35215 3.15650 1.99662 -112.64683 516.57810
6750.0000 -114.48816 -110.75362 3.73454 2.06445 -111.76344 547.05751
FREEZING PROCESS: loop number 28 T-loop= 541.00000000000000
main_MD> interactions number 28 at Temperature= 541.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35244 -0.19547 2.30514
force_rgl> df(natom) -3.06052 -2.15979 -1.98092
6755.0000 -115.13779 -111.98597 3.15181 2.08732 -111.46546 559.72528
6760.0000 -115.51117 -112.05165 3.45951 2.04587 -112.00529 528.29257
6765.0000 -115.78488 -112.47863 3.30625 2.01287 -112.43518 546.28753
6770.0000 -115.41525 -112.54700 2.86825 2.01884 -112.35740 554.35718
6775.0000 -115.80881 -112.61550 3.19331 1.97536 -112.92360 491.54478
6780.0000 -115.74889 -112.39135 3.35754 2.00714 -112.50979 505.99856
6785.0000 -115.34500 -111.56612 3.77887 2.04675 -111.99384 566.22277
6790.0000 -114.73113 -110.81067 3.92046 2.13316 -110.86856 627.53612
6795.0000 -115.41647 -112.58644 2.83003 2.06884 -111.70618 549.92613
6800.0000 -116.54695 -113.27391 3.27304 1.99296 -112.69439 514.73657
6805.0000 -114.84396 -112.20364 2.64033 1.97507 -112.92749 486.34165
6810.0000 -114.69515 -111.06131 3.63384 2.06538 -111.75121 580.55921
6815.0000 -115.29611 -111.52885 3.76725 2.10977 -111.17308 597.17830
6820.0000 -114.80934 -110.96749 3.84185 2.09117 -111.41535 565.67313
6825.0000 -114.61278 -111.35062 3.26216 2.12044 -111.03423 621.46572
6830.0000 -114.89551 -111.75558 3.13993 2.08063 -111.55271 574.19312
6835.0000 -114.95022 -111.32943 3.62078 2.08361 -111.51389 596.10423
6840.0000 -115.82192 -112.46461 3.35731 2.05657 -111.86604 576.16573
6845.0000 -115.81641 -112.06232 3.75408 2.04168 -112.05993 557.07440
6850.0000 -116.07793 -112.47571 3.60222 2.03085 -112.20091 549.66812
6855.0000 -115.22766 -112.64729 2.58037 2.00850 -112.49204 528.23002
6860.0000 -115.38413 -112.52721 2.85692 2.04132 -112.06465 545.02567
6865.0000 -115.51174 -111.28137 4.23038 2.03643 -112.12832 526.81648
6870.0000 -115.67317 -112.74000 2.93317 2.03599 -112.13399 534.18620
6875.0000 -115.91946 -112.61114 3.30832 1.99424 -112.67776 530.11057
6880.0000 -115.76627 -112.71848 3.04778 2.01052 -112.46570 532.45109
6885.0000 -115.84069 -113.12219 2.71850 1.94578 -113.30884 473.21654
6890.0000 -115.84311 -112.50140 3.34171 1.98694 -112.77282 516.30739
6895.0000 -115.77796 -113.17737 2.60059 2.00232 -112.57254 520.58591
6900.0000 -116.41426 -112.99820 3.41606 1.94101 -113.37104 498.06378
6905.0000 -116.17274 -112.90476 3.26798 1.98076 -112.85330 543.99353
6910.0000 -116.16386 -112.73636 3.42751 1.97980 -112.86585 509.51985
6915.0000 -115.74805 -112.33355 3.41450 1.98874 -112.74938 526.35377
6920.0000 -115.62120 -112.33359 3.28761 2.03440 -112.15467 559.39862
6925.0000 -116.02743 -112.39725 3.63018 2.01435 -112.41583 555.68841
6930.0000 -116.35887 -112.93218 3.42668 1.96199 -113.09774 502.60694
6935.0000 -115.94098 -112.86090 3.08008 1.97745 -112.89644 502.78425
6940.0000 -116.27031 -113.82711 2.44319 1.94496 -113.31962 483.76959
6945.0000 -115.54576 -112.26835 3.27741 1.98954 -112.73900 493.73085
6950.0000 -115.50116 -111.80056 3.70061 2.05812 -111.84584 553.72573
6955.0000 -115.00431 -110.87076 4.13355 2.06751 -111.72355 573.18236
6960.0000 -115.23813 -111.68927 3.54886 2.09409 -111.37735 597.37858
6965.0000 -114.78264 -111.38775 3.39489 2.13966 -110.78381 644.38028
6970.0000 -115.33055 -111.76941 3.56114 2.08522 -111.49282 608.44050
6975.0000 -114.53866 -111.65689 2.88177 2.04805 -111.97697 556.23295
6980.0000 -114.97980 -111.92211 3.05768 2.04034 -112.07743 523.03817
6985.0000 -115.28295 -112.13804 3.14491 2.07176 -111.66814 558.20834
6990.0000 -115.41441 -112.06833 3.34608 2.04540 -112.01151 548.04045
6995.0000 -116.29218 -112.35251 3.93967 2.02478 -112.28001 547.58037
7000.0000 -115.68642 -112.64238 3.04404 2.01176 -112.44957 492.76969
FREEZING PROCESS: loop number 29 T-loop= 516.00000000000000
main_MD> interactions number 29 at Temperature= 516.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38115 -0.91342 0.90175
force_rgl> df(natom) -2.94084 -1.38223 0.08116
7005.0000 -115.73090 -113.18942 2.54148 1.97933 -112.87194 492.05633
7010.0000 -115.64521 -113.00178 2.64342 1.95631 -113.17180 498.00658
7015.0000 -115.57595 -112.57654 2.99941 2.00475 -112.54085 516.32545
7020.0000 -116.21207 -112.85284 3.35923 2.02469 -112.28116 534.55540
7025.0000 -116.40543 -113.25876 3.14667 1.97824 -112.88618 482.37282
7030.0000 -115.90375 -112.52891 3.37484 1.98146 -112.84415 506.32739
7035.0000 -116.74511 -113.67627 3.06884 1.95501 -113.18873 506.60118
7040.0000 -115.98657 -113.50231 2.48426 1.90912 -113.78640 462.03197
7045.0000 -114.88713 -111.92501 2.96213 1.97021 -112.99074 512.22857
7050.0000 -116.55621 -113.21221 3.34401 1.99966 -112.60721 524.91352
7055.0000 -116.81387 -113.69933 3.11455 1.94354 -113.33812 473.90742
7060.0000 -115.35502 -112.69920 2.65582 1.96990 -112.99482 495.75138
7065.0000 -116.02943 -112.99824 3.03119 1.96442 -113.06607 499.53984
7070.0000 -115.67012 -113.15825 2.51188 1.94180 -113.36067 465.42530
7075.0000 -115.54018 -112.48106 3.05912 1.97669 -112.90627 496.67518
7080.0000 -116.37956 -113.31558 3.06398 1.99254 -112.69985 496.37272
7085.0000 -115.61014 -112.33514 3.27499 2.00220 -112.57408 540.41292
7090.0000 -116.27069 -113.30776 2.96293 1.98301 -112.82403 519.72662
7095.0000 -115.99326 -113.11315 2.88011 1.92215 -113.61660 457.58915
7100.0000 -115.86781 -112.52157 3.34623 1.99332 -112.68971 525.93369
7105.0000 -115.53574 -112.12842 3.40732 2.02047 -112.33617 543.90492
7110.0000 -116.75757 -113.97621 2.78136 1.96601 -113.04545 506.82666
7115.0000 -116.36914 -113.75503 2.61411 1.92064 -113.63637 482.50879
7120.0000 -116.42425 -113.71727 2.70698 1.92096 -113.63208 488.18495
7125.0000 -116.24294 -113.65170 2.59124 1.88167 -114.14382 452.98229
7130.0000 -116.32939 -113.50606 2.82332 1.94980 -113.25649 497.98147
7135.0000 -117.08618 -114.05686 3.02932 1.93611 -113.43481 470.20752
7140.0000 -115.89494 -113.14911 2.74583 1.91015 -113.77287 466.78442
7145.0000 -117.30060 -113.61044 3.69016 1.92723 -113.55042 491.48444
7150.0000 -116.10001 -113.33368 2.76633 1.92230 -113.61471 487.49728
7155.0000 -116.31622 -113.28256 3.03365 1.95158 -113.23329 518.67921
7160.0000 -115.94292 -112.72514 3.21778 1.97262 -112.95928 499.73789
7165.0000 -115.57821 -112.16080 3.41740 2.03014 -112.21019 538.26272
7170.0000 -115.41342 -112.38464 3.02878 2.05971 -111.82511 576.43309
7175.0000 -116.37022 -113.50157 2.86866 1.96960 -112.99872 485.09190
7180.0000 -114.92017 -111.95079 2.96938 1.98890 -112.74734 492.00774
7185.0000 -115.96501 -113.08934 2.87567 2.02312 -112.30165 527.39895
7190.0000 -115.31435 -112.56497 2.74938 1.97278 -112.95726 470.07531
7195.0000 -116.26422 -113.46437 2.79985 1.96345 -113.07879 490.43911
7200.0000 -116.52735 -113.65492 2.87242 1.93716 -113.42117 478.29390
7205.0000 -116.34779 -113.24401 3.10378 1.94359 -113.33744 489.65582
7210.0000 -116.23182 -113.06197 3.16986 1.95587 -113.17751 492.61162
7215.0000 -116.08898 -113.25024 2.83874 1.94756 -113.28573 483.95448
7220.0000 -116.48847 -113.37950 3.10896 1.94875 -113.27026 489.55834
7225.0000 -115.81163 -113.10732 2.70431 1.94605 -113.30533 480.92524
7230.0000 -115.58022 -112.05834 3.52188 1.98900 -112.74599 505.09708
7235.0000 -115.47515 -112.50233 2.97282 2.03012 -112.21047 558.61072
7240.0000 -115.47220 -111.95025 3.52194 2.02764 -112.24278 535.09942
7245.0000 -116.05371 -112.63449 3.41922 2.03592 -112.13490 540.17693
7250.0000 -115.15001 -112.20664 2.94337 2.00778 -112.50148 521.20307
FREEZING PROCESS: loop number 30 T-loop= 491.00000000000000
main_MD> interactions number 30 at Temperature= 491.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26115 0.59954 -0.08587
force_rgl> df(natom) 1.07008 0.21360 0.36754
7255.0000 -116.54801 -113.00559 3.54242 2.00443 -112.54500 524.81885
7260.0000 -116.50055 -113.72525 2.77530 1.93373 -113.46577 473.79101
7265.0000 -116.10657 -113.14163 2.96494 1.96483 -113.06084 513.34928
7270.0000 -116.06202 -112.81677 3.24525 1.97584 -112.91741 507.74024
7275.0000 -115.28605 -112.34255 2.94351 2.00069 -112.59371 501.41744
7280.0000 -116.73085 -113.21671 3.51414 1.98890 -112.74732 497.31867
7285.0000 -116.22795 -113.30146 2.92650 1.95267 -113.21919 470.84701
7290.0000 -115.84714 -113.14965 2.69749 1.95661 -113.16778 487.66910
7295.0000 -116.54228 -113.54058 3.00170 1.91798 -113.67091 462.69096
7300.0000 -116.11963 -113.20618 2.91345 1.94541 -113.31366 481.99479
7305.0000 -115.75649 -112.98382 2.77267 1.97285 -112.95637 488.13065
7310.0000 -116.55586 -112.73558 3.82028 1.96299 -113.08481 489.51243
7315.0000 -115.79252 -112.94326 2.84926 1.95762 -113.15473 488.11156
7320.0000 -116.17835 -112.95676 3.22159 1.96133 -113.10636 483.31380
7325.0000 -115.78478 -112.40729 3.37749 1.98588 -112.78665 496.10107
7330.0000 -115.74150 -112.41740 3.32409 2.01986 -112.34408 519.07567
7335.0000 -115.75786 -112.81050 2.94735 2.00026 -112.59939 517.77555
7340.0000 -115.60342 -111.47730 4.12612 2.03780 -112.11048 539.71744
7345.0000 -114.82474 -111.44281 3.38193 2.08293 -111.52275 568.99205
7350.0000 -115.19389 -111.99278 3.20110 2.06468 -111.76037 568.67573
7355.0000 -115.44366 -112.26136 3.18230 2.02523 -112.27422 545.22910
7360.0000 -115.46572 -112.78506 2.68066 1.98480 -112.80071 510.21883
7365.0000 -115.95861 -112.70312 3.25548 1.97799 -112.88945 511.21980
7370.0000 -116.06559 -112.66538 3.40021 2.00489 -112.53906 520.24490
7375.0000 -116.07023 -113.14255 2.92769 2.00353 -112.55678 528.00282
7380.0000 -115.91034 -112.96848 2.94186 1.96083 -113.11290 500.26460
7385.0000 -117.01692 -113.75639 3.26052 1.93703 -113.42286 506.67310
7390.0000 -116.27900 -112.65903 3.61997 1.96974 -112.99689 550.56414
7395.0000 -116.21325 -113.47628 2.73697 1.98030 -112.85931 556.46556
7400.0000 -116.61088 -114.03557 2.57532 1.89585 -113.95918 479.89853
7405.0000 -116.35652 -113.60302 2.75350 1.88281 -114.12895 458.88308
7410.0000 -116.32113 -113.71917 2.60196 1.91403 -113.72236 492.35389
7415.0000 -116.62527 -113.97867 2.64660 1.90441 -113.84764 478.60422
7420.0000 -116.77095 -113.57591 3.19504 1.90909 -113.78674 490.23823
7425.0000 -116.52983 -113.25579 3.27403 1.93816 -113.40816 529.43597
7430.0000 -116.64948 -114.04647 2.60301 1.89093 -114.02318 476.98684
7435.0000 -116.85558 -114.28963 2.56595 1.89141 -114.01701 476.15734
7440.0000 -116.47243 -113.72713 2.74530 1.93730 -113.41939 498.32737
7445.0000 -116.80477 -113.82994 2.97482 1.88026 -114.16216 446.18484
7450.0000 -116.60738 -114.06396 2.54342 1.89665 -113.94873 478.04592
7455.0000 -116.48366 -113.48840 2.99527 1.92583 -113.56865 482.83522
7460.0000 -117.21959 -114.54331 2.67629 1.88527 -114.09690 478.44020
7465.0000 -116.79545 -113.64845 3.14700 1.87064 -114.28743 456.29877
7470.0000 -116.55425 -113.50918 3.04507 1.93306 -113.47451 498.65755
7475.0000 -116.41432 -113.36236 3.05196 1.95625 -113.17256 526.44569
7480.0000 -116.37926 -113.47333 2.90593 1.93506 -113.44852 488.17740
7485.0000 -116.22666 -112.99538 3.23128 1.95577 -113.17877 490.56055
7490.0000 -116.10387 -112.99324 3.11063 1.96068 -113.11480 486.58700
7495.0000 -115.82891 -113.08190 2.74702 1.97305 -112.95371 496.62486
7500.0000 -114.98393 -111.40563 3.57830 2.03784 -112.10992 536.71601
FREEZING PROCESS: loop number 31 T-loop= 466.00000000000000
main_MD> interactions number 31 at Temperature= 466.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33193 2.21657 -4.52312
force_rgl> df(natom) 0.42700 -0.11242 -1.14017
7505.0000 -115.40023 -113.06458 2.33566 2.01852 -112.36158 517.48332
7510.0000 -115.39237 -112.77457 2.61779 1.98393 -112.81204 478.13846
7515.0000 -115.39218 -112.63708 2.75510 1.96141 -113.10530 481.21728
7520.0000 -115.79809 -113.41393 2.38416 1.99765 -112.63340 510.55761
7525.0000 -116.13521 -113.39585 2.73936 1.95026 -113.25057 467.34269
7530.0000 -116.36733 -113.59315 2.77418 1.92493 -113.58041 464.20663
7535.0000 -116.23170 -113.67439 2.55731 1.92210 -113.61735 452.43665
7540.0000 -115.71592 -113.44972 2.26621 1.93678 -113.42613 466.57282
7545.0000 -116.33732 -113.03514 3.30219 1.94369 -113.33606 455.25456
7550.0000 -116.47923 -114.28412 2.19512 1.91743 -113.67816 463.56761
7555.0000 -115.88372 -113.05577 2.82794 1.91217 -113.74661 465.00716
7560.0000 -116.24810 -113.90229 2.34581 1.94082 -113.37345 493.36319
7565.0000 -115.91575 -113.28471 2.63104 1.93170 -113.49220 475.10771
7570.0000 -116.81934 -114.11227 2.70706 1.91881 -113.66010 473.04434
7575.0000 -115.86955 -112.68942 3.18013 1.93543 -113.44363 488.64355
7580.0000 -117.14821 -114.03383 3.11437 1.93236 -113.48368 458.92579
7585.0000 -116.56975 -113.66179 2.90797 1.90472 -113.84365 454.98093
7590.0000 -117.10017 -114.43971 2.66046 1.86969 -114.29983 401.49351
7595.0000 -116.45554 -113.93109 2.52444 1.88041 -114.16024 437.02751
7600.0000 -116.17010 -113.42377 2.74633 1.90867 -113.79219 460.33951
7605.0000 -116.52746 -113.52422 3.00324 1.92987 -113.51613 497.05070
7610.0000 -116.96579 -113.43036 3.53543 1.95672 -113.16638 524.82798
7615.0000 -116.58341 -112.99099 3.59242 1.93084 -113.50343 492.21395
7620.0000 -115.85986 -112.92043 2.93943 1.95002 -113.25361 510.48741
7625.0000 -116.63883 -113.95125 2.68758 1.93814 -113.40834 511.64106
7630.0000 -117.03710 -113.87145 3.16564 1.91312 -113.73428 479.12388
7635.0000 -116.72203 -113.95618 2.76585 1.88368 -114.11762 448.49111
7640.0000 -116.54223 -113.73745 2.80478 1.88649 -114.08105 457.16130
7645.0000 -116.83418 -114.07367 2.76050 1.88623 -114.08440 460.86200
7650.0000 -117.18003 -114.22446 2.95557 1.87402 -114.24342 443.36478
7655.0000 -116.57665 -113.78632 2.79033 1.89264 -114.00090 473.11193
7660.0000 -117.01650 -113.37059 3.64591 1.91973 -113.64812 494.01287
7665.0000 -116.90417 -113.85244 3.05174 1.88763 -114.06616 464.18112
7670.0000 -116.94024 -114.40269 2.53755 1.88912 -114.04678 462.86348
7675.0000 -116.78238 -114.20387 2.57851 1.87068 -114.28694 447.55015
7680.0000 -117.32647 -114.35451 2.97196 1.89086 -114.02411 467.33183
7685.0000 -116.65882 -113.78426 2.87456 1.89706 -113.94342 475.76513
7690.0000 -117.02480 -114.79159 2.23322 1.84559 -114.61370 434.44882
7695.0000 -117.62466 -114.91230 2.71236 1.82481 -114.88431 410.33578
7700.0000 -116.90011 -113.81007 3.09004 1.83366 -114.76913 414.51047
7705.0000 -116.23108 -113.14650 3.08458 1.92346 -113.59951 499.51372
7710.0000 -116.58649 -114.46477 2.12173 1.90341 -113.86064 466.98327
7715.0000 -117.77506 -115.01062 2.76445 1.80603 -115.12890 385.13134
7720.0000 -116.95050 -114.01716 2.93334 1.90039 -113.90002 486.85962
7725.0000 -116.78934 -113.02347 3.76587 1.97701 -112.90213 543.53040
7730.0000 -116.70458 -113.23633 3.46826 1.96213 -113.09592 536.19127
7735.0000 -117.29593 -114.55884 2.73710 1.92958 -113.51983 508.55970
7740.0000 -116.61828 -114.26416 2.35412 1.87627 -114.21422 453.74785
7745.0000 -116.71430 -113.52325 3.19105 1.89495 -113.97090 471.84611
7750.0000 -116.39127 -113.81043 2.58084 1.90674 -113.81738 473.89780
FREEZING PROCESS: loop number 32 T-loop= 441.00000000000000
main_MD> interactions number 32 at Temperature= 441.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10398 1.43548 2.87346
force_rgl> df(natom) 1.27600 -1.71979 1.00870
7755.0000 -116.45016 -114.09197 2.35819 1.89109 -114.02117 436.71910
7760.0000 -117.34380 -113.96964 3.37416 1.89169 -114.01335 469.07269
7765.0000 -116.66842 -113.46730 3.20113 1.91508 -113.70873 475.20414
7770.0000 -115.82993 -112.87743 2.95250 1.92922 -113.52450 500.88265
7775.0000 -116.40439 -113.68820 2.71618 1.93817 -113.40805 506.80166
7780.0000 -116.79610 -114.19513 2.60097 1.89189 -114.01070 466.31623
7785.0000 -117.22987 -114.28598 2.94389 1.86268 -114.39117 447.62088
7790.0000 -117.65888 -114.59175 3.06714 1.85104 -114.54276 438.43719
7795.0000 -117.56514 -114.93443 2.63071 1.85424 -114.50105 434.78834
7800.0000 -117.60734 -114.91547 2.69186 1.82651 -114.86220 412.12846
7805.0000 -116.67558 -114.38844 2.28714 1.85000 -114.55630 435.13539
7810.0000 -116.81872 -114.29557 2.52315 1.85699 -114.46521 442.32843
7815.0000 -117.06498 -114.39521 2.66977 1.87811 -114.19017 461.67114
7820.0000 -117.27724 -114.96276 2.31449 1.84871 -114.57313 434.94468
7825.0000 -117.28152 -114.64966 2.63186 1.81962 -114.95200 406.75170
7830.0000 -116.74035 -114.00375 2.73660 1.85659 -114.47044 444.55910
7835.0000 -117.54393 -114.59879 2.94514 1.83398 -114.76489 418.05828
7840.0000 -116.57953 -113.49185 3.08769 1.88634 -114.08300 469.20263
7845.0000 -116.76313 -114.02834 2.73480 1.92131 -113.62758 486.52000
7850.0000 -116.84588 -114.23185 2.61403 1.88954 -114.04135 468.00093
7855.0000 -116.64778 -114.07021 2.57757 1.88939 -114.04334 467.60882
7860.0000 -116.81287 -113.50117 3.31170 1.92914 -113.52561 462.65461
7865.0000 -116.83071 -114.01352 2.81718 1.89993 -113.90605 456.16235
7870.0000 -117.30905 -114.94626 2.36280 1.86714 -114.33311 422.93086
7875.0000 -116.71863 -114.42656 2.29207 1.86499 -114.36109 431.39430
7880.0000 -116.48732 -113.86700 2.62032 1.88590 -114.08879 441.39370
7885.0000 -116.49356 -113.47740 3.01615 1.92313 -113.60384 450.30184
7890.0000 -116.51875 -113.98106 2.53769 1.92156 -113.62429 457.53029
7895.0000 -116.81189 -113.98785 2.82404 1.90381 -113.85552 446.73990
7900.0000 -116.62193 -114.18238 2.43955 1.87783 -114.19389 421.06903
7905.0000 -116.66026 -114.00649 2.65377 1.88197 -114.13996 428.12971
7910.0000 -116.10349 -113.48809 2.61539 1.91845 -113.66480 447.93595
7915.0000 -115.81273 -113.62448 2.18824 1.93824 -113.40703 466.49369
7920.0000 -116.51327 -113.57612 2.93715 1.90386 -113.85483 419.65590
7925.0000 -116.30050 -113.67891 2.62158 1.91593 -113.69769 454.86283
7930.0000 -115.99273 -113.62813 2.36460 1.92058 -113.63713 455.19216
7935.0000 -116.26487 -113.52844 2.73643 1.92401 -113.59238 451.44080
7940.0000 -115.97007 -113.36424 2.60583 1.90572 -113.83061 445.43585
7945.0000 -116.59886 -113.36003 3.23883 1.91064 -113.76651 449.96363
7950.0000 -116.04342 -113.50033 2.54310 1.94577 -113.30905 470.21744
7955.0000 -116.35901 -113.68268 2.67632 1.92505 -113.57892 468.54671
7960.0000 -116.53509 -113.33799 3.19711 1.95308 -113.21382 502.33488
7965.0000 -116.34368 -113.82550 2.51818 1.92693 -113.55438 461.32687
7970.0000 -116.10214 -113.32430 2.77784 1.94875 -113.27020 472.66418
7975.0000 -116.15000 -113.55301 2.59699 1.95444 -113.19614 506.61817
7980.0000 -117.13835 -114.68115 2.45720 1.89184 -114.01133 465.83637
7985.0000 -118.01607 -115.67165 2.34442 1.78608 -115.38880 382.67091
7990.0000 -117.41002 -114.43358 2.97643 1.81454 -115.01815 407.86461
7995.0000 -117.20873 -114.58362 2.62511 1.84009 -114.68536 430.30145
8000.0000 -116.92627 -114.20391 2.72236 1.85862 -114.44400 445.06587
FREEZING PROCESS: loop number 33 T-loop= 416.00000000000000
main_MD> interactions number 33 at Temperature= 416.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.13956 0.62089 -0.94593
force_rgl> df(natom) -0.05429 1.38475 1.42898
8005.0000 -116.68518 -113.96246 2.72272 1.88498 -114.10076 465.00540
8010.0000 -116.88185 -113.87745 3.00440 1.91722 -113.68085 474.36184
8015.0000 -117.47968 -115.32555 2.15413 1.85814 -114.45034 426.58016
8020.0000 -117.51572 -114.85470 2.66102 1.82432 -114.89070 389.79293
8025.0000 -117.30124 -114.86046 2.44078 1.83144 -114.79800 400.61065
8030.0000 -116.62710 -113.56483 3.06227 1.86222 -114.39713 431.16697
8035.0000 -116.96681 -114.06926 2.89756 1.91511 -113.70826 475.66664
8040.0000 -116.45955 -113.95897 2.50058 1.89331 -113.99223 448.04490
8045.0000 -117.56946 -114.58259 2.98688 1.84777 -114.58536 431.47446
8050.0000 -117.06367 -114.44072 2.62296 1.86143 -114.40739 442.88974
8055.0000 -116.94873 -114.00603 2.94269 1.88224 -114.13645 462.98852
8060.0000 -117.00426 -114.82024 2.18402 1.85327 -114.51376 438.71909
8065.0000 -116.64828 -114.29076 2.35753 1.84134 -114.66903 427.80505
8070.0000 -117.11188 -114.90344 2.20844 1.83000 -114.81671 413.74167
8075.0000 -117.35676 -114.88791 2.46885 1.84098 -114.67371 427.39902
8080.0000 -116.89072 -114.67762 2.21310 1.81270 -115.04205 397.34881
8085.0000 -117.32255 -114.24303 3.07951 1.87436 -114.23908 450.41913
8090.0000 -117.27045 -115.13073 2.13972 1.84049 -114.68018 423.46192
8095.0000 -116.95070 -114.44116 2.50955 1.83648 -114.73233 419.13771
8100.0000 -117.04929 -114.24339 2.80590 1.85444 -114.49845 435.89604
8105.0000 -117.56757 -114.68086 2.88670 1.85566 -114.48252 441.28821
8110.0000 -117.21887 -114.76640 2.45247 1.80984 -115.07932 393.26850
8115.0000 -117.10072 -114.09047 3.01025 1.86849 -114.31554 457.21725
8120.0000 -116.58941 -113.88697 2.70245 1.87268 -114.26098 464.65766
8125.0000 -116.83676 -114.38712 2.44964 1.85804 -114.45159 437.45779
8130.0000 -117.65525 -115.00297 2.65228 1.88095 -114.15316 456.10890
8135.0000 -118.03939 -115.43063 2.60876 1.77683 -115.50929 376.42416
8140.0000 -117.22669 -114.84653 2.38016 1.81678 -114.98887 397.25669
8145.0000 -117.41161 -114.69582 2.71579 1.82429 -114.89117 404.32671
8150.0000 -116.89569 -114.32929 2.56640 1.85585 -114.48010 433.85856
8155.0000 -117.56609 -115.07844 2.48765 1.82580 -114.87143 416.88388
8160.0000 -117.66822 -115.23479 2.43343 1.80033 -115.20316 393.77151
8165.0000 -117.14830 -114.42778 2.72052 1.80497 -115.14269 400.23842
8170.0000 -117.02685 -114.82376 2.20309 1.81160 -115.05641 404.23015
8175.0000 -117.40660 -114.60416 2.80245 1.86095 -114.41373 442.07396
8180.0000 -117.52828 -115.43181 2.09647 1.82502 -114.88158 410.23009
8185.0000 -117.51748 -115.32927 2.18821 1.78703 -115.37636 375.84494
8190.0000 -116.81909 -114.64083 2.17827 1.81365 -115.02976 404.15678
8195.0000 -117.70266 -115.42933 2.27333 1.79271 -115.30242 377.15996
8200.0000 -118.08672 -115.64277 2.44395 1.77474 -115.53651 365.43988
8205.0000 -117.15866 -114.77202 2.38664 1.80011 -115.20606 393.16266
8210.0000 -116.40498 -113.53552 2.86946 1.88166 -114.14394 460.16583
8215.0000 -116.73553 -114.16927 2.56625 1.88931 -114.04433 458.05353
8220.0000 -116.72861 -113.84674 2.88187 1.88525 -114.09716 452.44629
8225.0000 -115.61760 -113.27206 2.34554 1.89877 -113.92116 444.90771
8230.0000 -116.20684 -113.30017 2.90668 1.93915 -113.39522 466.37249
8235.0000 -116.71680 -113.41074 3.30607 1.92112 -113.63010 449.75200
8240.0000 -116.68507 -114.30418 2.38089 1.89088 -114.02388 428.63990
8245.0000 -116.26865 -113.91969 2.34897 1.88233 -114.13523 414.77854
8250.0000 -116.78784 -114.28767 2.50018 1.89997 -113.90555 419.51648
FREEZING PROCESS: loop number 34 T-loop= 391.00000000000000
main_MD> interactions number 34 at Temperature= 391.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65493 -0.19694 -0.19798
force_rgl> df(natom) 0.09298 1.56894 0.12124
8255.0000 -116.79697 -114.57173 2.22525 1.86620 -114.34536 399.99292
8260.0000 -116.70324 -114.10896 2.59428 1.86316 -114.38490 396.60669
8265.0000 -116.47119 -113.93611 2.53508 1.89275 -113.99951 412.78890
8270.0000 -116.51208 -113.93582 2.57627 1.90897 -113.78826 437.43637
8275.0000 -116.85919 -114.41803 2.44116 1.87107 -114.28186 421.66889
8280.0000 -116.20825 -113.50641 2.70184 1.88126 -114.14914 417.22109
8285.0000 -117.10777 -114.37070 2.73707 1.88033 -114.16134 432.94883
8290.0000 -117.16960 -114.80858 2.36102 1.84904 -114.56877 391.24192
8295.0000 -117.35294 -114.81365 2.53929 1.83467 -114.75593 380.98031
8300.0000 -117.14764 -114.48463 2.66300 1.82927 -114.82626 393.02206
8305.0000 -117.47784 -115.16529 2.31256 1.80278 -115.17125 373.05090
8310.0000 -117.23614 -115.04576 2.19038 1.81441 -115.01984 383.99530
8315.0000 -117.47698 -115.23179 2.24519 1.79255 -115.30444 358.02026
8320.0000 -117.37157 -114.84369 2.52788 1.80998 -115.07753 375.43716
8325.0000 -117.94130 -115.15936 2.78194 1.81365 -115.02964 385.33058
8330.0000 -117.78787 -115.37820 2.40967 1.79629 -115.25584 370.91058
8335.0000 -117.58463 -115.48742 2.09721 1.80141 -115.18909 373.37843
8340.0000 -117.80642 -115.05204 2.75438 1.81160 -115.05636 384.43790
8345.0000 -117.37942 -115.44853 1.93090 1.79900 -115.22049 371.58966
8350.0000 -117.64122 -115.61142 2.02980 1.78215 -115.44001 350.24185
8355.0000 -117.25705 -114.93467 2.32238 1.80284 -115.17048 374.68500
8360.0000 -117.17541 -114.76403 2.41138 1.81522 -115.00922 388.63572
8365.0000 -117.11153 -114.43378 2.67776 1.84418 -114.63209 412.70466
8370.0000 -117.55580 -114.94636 2.60944 1.81702 -114.98586 382.84567
8375.0000 -117.49434 -114.99390 2.50044 1.85168 -114.53444 420.90661
8380.0000 -117.34507 -115.42025 1.92482 1.79018 -115.33532 362.99640
8385.0000 -117.45383 -115.34113 2.11270 1.77267 -115.56335 342.03320
8390.0000 -117.50699 -115.24948 2.25751 1.80993 -115.07812 381.25870
8395.0000 -117.44161 -115.11582 2.32580 1.78758 -115.36920 354.63557
8400.0000 -116.93965 -114.91632 2.02333 1.81173 -115.05472 380.91594
8405.0000 -116.53370 -114.69746 1.83624 1.83030 -114.81292 393.12389
8410.0000 -117.47037 -115.22875 2.24162 1.82790 -114.84413 390.62996
8415.0000 -117.29828 -115.13334 2.16494 1.79785 -115.23545 370.97412
8420.0000 -117.19027 -114.87871 2.31155 1.81801 -114.97291 383.75610
8425.0000 -116.89620 -114.48773 2.40846 1.85058 -114.54878 413.09864
8430.0000 -117.24573 -114.79777 2.44796 1.85552 -114.48441 421.92747
8435.0000 -116.78115 -114.21793 2.56322 1.85230 -114.52640 416.42675
8440.0000 -117.27754 -115.06280 2.21474 1.85853 -114.44526 420.67850
8445.0000 -117.46221 -114.61446 2.84776 1.82621 -114.86609 395.95475
8450.0000 -117.02345 -114.61288 2.41057 1.83339 -114.77259 396.84486
8455.0000 -117.21894 -114.55508 2.66386 1.84927 -114.56584 429.43443
8460.0000 -117.56305 -115.13223 2.43082 1.81825 -114.96974 407.48519
8465.0000 -117.37584 -115.05896 2.31688 1.82502 -114.88160 396.13606
8470.0000 -117.26298 -114.95226 2.31072 1.81469 -115.01616 406.73251
8475.0000 -117.71333 -115.77255 1.94079 1.79155 -115.31752 377.36068
8480.0000 -117.75290 -115.60940 2.14350 1.77722 -115.50419 368.88860
8485.0000 -117.61837 -115.41154 2.20683 1.79303 -115.29820 383.08413
8490.0000 -117.65508 -114.96713 2.68795 1.78288 -115.43043 380.79052
8495.0000 -117.76560 -115.17500 2.59060 1.80588 -115.13085 406.57153
8500.0000 -118.08372 -115.88780 2.19592 1.75960 -115.73363 355.98285
FREEZING PROCESS: loop number 35 T-loop= 366.00000000000000
main_MD> interactions number 35 at Temperature= 366.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17442 -1.07687 -1.06122
force_rgl> df(natom) -0.27974 0.79782 -0.42236
8505.0000 -117.99630 -116.16076 1.83554 1.73190 -116.09437 316.36644
8510.0000 -118.32613 -115.66297 2.66316 1.76054 -115.72144 355.82893
8515.0000 -118.08680 -115.70774 2.37907 1.75709 -115.76628 350.30980
8520.0000 -117.66045 -115.21817 2.44228 1.76693 -115.63815 354.61762
8525.0000 -117.83960 -115.58320 2.25641 1.78678 -115.37966 378.19947
8530.0000 -117.91764 -115.92611 1.99153 1.76188 -115.70388 345.94423
8535.0000 -117.86851 -115.81006 2.05845 1.73927 -115.99840 326.68361
8540.0000 -117.58909 -115.66321 1.92588 1.74859 -115.87704 335.66691
8545.0000 -117.88010 -115.87053 2.00956 1.75231 -115.82853 348.73321
8550.0000 -117.83347 -115.59203 2.24145 1.76649 -115.64390 357.17844
8555.0000 -118.08291 -115.93171 2.15120 1.74996 -115.85920 346.60264
8560.0000 -117.92210 -115.87874 2.04336 1.74048 -115.98258 336.32231
8565.0000 -117.80709 -116.08882 1.71827 1.74391 -115.93798 334.27195
8570.0000 -118.00205 -115.68883 2.31321 1.75017 -115.85649 335.12911
8575.0000 -117.80771 -115.76808 2.03963 1.75518 -115.79114 348.61224
8580.0000 -117.65988 -115.47501 2.18487 1.76544 -115.65751 358.00112
8585.0000 -117.28185 -115.07345 2.20840 1.80567 -115.13367 389.56288
8590.0000 -117.62287 -115.21658 2.40629 1.80925 -115.08695 399.81019
8595.0000 -116.85976 -114.50180 2.35796 1.81954 -114.95296 409.32588
8600.0000 -117.88300 -115.20725 2.67575 1.82801 -114.84270 426.43937
8605.0000 -117.46793 -115.18344 2.28449 1.78307 -115.42793 376.66129
8610.0000 -117.61169 -115.32711 2.28458 1.79321 -115.29596 378.92567
8615.0000 -117.95777 -115.97255 1.98522 1.75603 -115.78010 346.56843
8620.0000 -118.00741 -115.48900 2.51840 1.74997 -115.85899 339.69693
8625.0000 -117.94991 -115.69881 2.25110 1.75261 -115.82468 351.46452
8630.0000 -117.91856 -115.69768 2.22088 1.75673 -115.77095 354.32626
8635.0000 -117.47836 -115.31457 2.16379 1.78747 -115.37069 375.40276
8640.0000 -117.84074 -116.20683 1.63392 1.75960 -115.73357 342.23598
8645.0000 -117.63390 -115.59429 2.03961 1.74949 -115.86532 336.99775
8650.0000 -117.29506 -115.24505 2.05001 1.78890 -115.35204 376.18072
8655.0000 -117.83266 -115.13750 2.69516 1.78446 -115.40989 370.12390
8660.0000 -117.69848 -115.73224 1.96624 1.78062 -115.45989 368.31924
8665.0000 -117.34352 -115.04966 2.29386 1.77158 -115.57755 357.18725
8670.0000 -117.67809 -115.14815 2.52994 1.81248 -115.04493 391.04307
8675.0000 -117.67287 -115.59858 2.07429 1.77837 -115.48918 351.22369
8680.0000 -117.96795 -115.75852 2.20943 1.74368 -115.94093 315.82765
8685.0000 -117.45272 -115.50825 1.94447 1.76813 -115.62257 353.21365
8690.0000 -117.38421 -115.51482 1.86939 1.77155 -115.57795 350.91581
8695.0000 -117.49451 -115.12781 2.36669 1.78814 -115.36188 363.30520
8700.0000 -117.89161 -115.38465 2.50695 1.78427 -115.41238 358.00047
8705.0000 -117.59027 -115.67808 1.91220 1.75581 -115.78304 333.32138
8710.0000 -117.88088 -115.92321 1.95767 1.76739 -115.63221 345.00215
8715.0000 -117.74695 -115.54122 2.20573 1.76325 -115.68604 336.54245
8720.0000 -117.66386 -115.15732 2.50654 1.77622 -115.51721 350.40830
8725.0000 -117.99227 -115.66862 2.32365 1.80644 -115.12363 392.73273
8730.0000 -117.69464 -115.01584 2.67880 1.77603 -115.51968 356.98055
8735.0000 -117.37669 -115.14486 2.23183 1.80200 -115.18140 385.73130
8740.0000 -117.27771 -114.79444 2.48327 1.83189 -114.79213 413.62300
8745.0000 -117.41721 -114.99099 2.42621 1.82130 -114.93013 402.59275
8750.0000 -117.13635 -114.81665 2.31970 1.83582 -114.74092 409.32231
FREEZING PROCESS: loop number 36 T-loop= 341.00000000000000
main_MD> interactions number 36 at Temperature= 341.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70941 -4.96079 0.33278
force_rgl> df(natom) 5.98193 1.16815 0.19031
8755.0000 -117.58937 -115.64944 1.93993 1.78387 -115.41756 363.03765
8760.0000 -118.01210 -115.42253 2.58957 1.74851 -115.87811 324.36313
8765.0000 -117.63379 -115.53156 2.10223 1.78374 -115.41924 357.74647
8770.0000 -117.70551 -115.20771 2.49780 1.77831 -115.49001 352.43278
8775.0000 -117.69183 -115.63442 2.05741 1.79735 -115.24192 372.57461
8780.0000 -117.84033 -115.40200 2.43833 1.78925 -115.34743 365.53058
8785.0000 -117.59367 -115.49458 2.09910 1.78538 -115.39792 365.10590
8790.0000 -117.98052 -115.97943 2.00109 1.74459 -115.92912 321.59115
8795.0000 -118.18082 -116.32838 1.85244 1.73414 -116.06526 311.99232
8800.0000 -117.68242 -115.66924 2.01319 1.72998 -116.11944 311.09764
8805.0000 -117.37902 -115.38058 1.99844 1.77717 -115.50477 349.64722
8810.0000 -117.56201 -115.72977 1.83224 1.75933 -115.73712 336.71078
8815.0000 -117.92928 -115.52368 2.40560 1.75069 -115.84963 322.29206
8820.0000 -117.84706 -115.48665 2.36040 1.76636 -115.64560 347.51362
8825.0000 -118.06551 -116.12953 1.93597 1.76073 -115.71889 330.42830
8830.0000 -117.89684 -115.86073 2.03610 1.73592 -116.04206 305.60835
8835.0000 -117.77462 -115.13330 2.64132 1.77653 -115.51307 361.34883
8840.0000 -117.56956 -115.17158 2.39799 1.79132 -115.32058 365.90546
8845.0000 -117.46552 -115.50275 1.96278 1.78171 -115.44562 347.22127
8850.0000 -117.95765 -115.52404 2.43361 1.76391 -115.67755 336.70290
8855.0000 -117.93096 -115.91258 2.01838 1.75524 -115.79040 333.11193
8860.0000 -117.85894 -115.65622 2.20272 1.76542 -115.65779 349.46448
8865.0000 -117.08718 -115.15219 1.93500 1.80119 -115.19201 380.89722
8870.0000 -117.64858 -115.47078 2.17780 1.78772 -115.36738 361.36131
8875.0000 -117.92192 -115.88464 2.03729 1.76530 -115.65942 334.97973
8880.0000 -117.57891 -115.37245 2.20645 1.76068 -115.71959 336.57962
8885.0000 -117.90164 -116.04573 1.85591 1.78404 -115.41528 365.31194
8890.0000 -117.44182 -115.42539 2.01644 1.75249 -115.82623 322.28287
8895.0000 -117.25978 -115.03358 2.22619 1.79992 -115.20848 365.42420
8900.0000 -117.44754 -115.03672 2.41081 1.83291 -114.77884 399.52009
8905.0000 -117.62171 -115.80023 1.82149 1.81149 -115.05788 380.60556
8910.0000 -118.08161 -116.40077 1.68084 1.73847 -116.00883 313.13813
8915.0000 -118.09074 -116.17011 1.92063 1.71728 -116.28476 299.43285
8920.0000 -117.49736 -115.21975 2.27760 1.75866 -115.74592 338.73149
8925.0000 -117.22796 -114.96699 2.26097 1.77898 -115.48124 360.53422
8930.0000 -117.88233 -115.59183 2.29050 1.80581 -115.13187 365.12304
8935.0000 -117.71393 -115.31170 2.40223 1.79867 -115.22478 380.81592
8940.0000 -117.56097 -115.18607 2.37490 1.79162 -115.31656 375.50432
8945.0000 -117.40818 -115.16459 2.24359 1.80058 -115.19992 379.44810
8950.0000 -117.68145 -115.29534 2.38611 1.79414 -115.28375 374.86014
8955.0000 -117.78755 -115.58609 2.20146 1.76909 -115.61001 345.99007
8960.0000 -117.60097 -115.57479 2.02619 1.77096 -115.58573 343.95260
8965.0000 -117.83542 -115.87590 1.95952 1.76440 -115.67115 347.38357
8970.0000 -117.76601 -116.03001 1.73600 1.74330 -115.94597 320.69051
8975.0000 -118.12968 -115.77638 2.35329 1.75537 -115.78875 329.55654
8980.0000 -117.54172 -115.26148 2.28024 1.78738 -115.37188 370.52750
8985.0000 -118.11054 -116.07340 2.03714 1.76508 -115.66232 350.99627
8990.0000 -117.55282 -115.81247 1.74034 1.74383 -115.93900 344.43558
8995.0000 -117.76221 -115.66956 2.09265 1.75825 -115.75121 346.41317
9000.0000 -118.30784 -116.08076 2.22708 1.73805 -116.01428 325.60627
FREEZING PROCESS: loop number 37 T-loop= 316.00000000000000
main_MD> interactions number 37 at Temperature= 316.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17154 -1.48883 -0.21477
force_rgl> df(natom) -0.13828 0.52833 0.79863
9005.0000 -118.40152 -116.81867 1.58284 1.70701 -116.41859 302.04626
9010.0000 -118.29959 -116.08132 2.21827 1.71149 -116.36016 300.63822
9015.0000 -118.20200 -116.31271 1.88929 1.72351 -116.20366 319.72008
9020.0000 -118.27981 -116.76541 1.51440 1.70199 -116.48392 294.18602
9025.0000 -118.25995 -116.26259 1.99736 1.70850 -116.39919 288.13330
9030.0000 -118.22368 -116.38210 1.84158 1.72796 -116.14571 313.28110
9035.0000 -117.97168 -116.34021 1.63147 1.73527 -116.05045 327.74902
9040.0000 -118.23150 -116.68290 1.54860 1.71454 -116.32052 308.16537
9045.0000 -118.31990 -116.74488 1.57502 1.67335 -116.85691 266.98969
9050.0000 -118.43144 -116.69639 1.73506 1.68409 -116.71707 276.77972
9055.0000 -118.19169 -116.86829 1.32340 1.66391 -116.97982 257.83125
9060.0000 -118.12182 -116.51155 1.61027 1.69876 -116.52599 290.03887
9065.0000 -118.28238 -116.19404 2.08835 1.70517 -116.44254 301.16650
9070.0000 -118.53258 -116.53732 1.99526 1.71506 -116.31366 305.79072
9075.0000 -117.96409 -116.05811 1.90598 1.71955 -116.25524 304.24796
9080.0000 -118.05982 -116.69795 1.36187 1.72083 -116.23861 304.85157
9085.0000 -118.32403 -116.46647 1.85756 1.70574 -116.43504 299.99825
9090.0000 -117.95231 -116.05925 1.89305 1.71689 -116.28988 311.86251
9095.0000 -118.20499 -116.28076 1.92423 1.71107 -116.36562 301.99892
9100.0000 -118.32544 -116.11123 2.21421 1.70661 -116.42377 298.19892
9105.0000 -118.27049 -116.25520 2.01529 1.72417 -116.19511 318.99385
9110.0000 -118.08816 -116.26255 1.82560 1.71935 -116.25789 310.81354
9115.0000 -117.85409 -115.93999 1.91410 1.72082 -116.23874 312.42855
9120.0000 -117.95163 -115.85020 2.10143 1.73558 -116.04644 327.59836
9125.0000 -118.07162 -116.25292 1.81870 1.73941 -115.99660 324.82161
9130.0000 -118.27590 -116.58480 1.69110 1.69708 -116.54786 285.47443
9135.0000 -118.42980 -116.58363 1.84616 1.68314 -116.72937 277.40003
9140.0000 -118.48392 -116.82794 1.65598 1.68020 -116.76771 274.54795
9145.0000 -118.30728 -116.61727 1.69002 1.67720 -116.80673 274.05531
9150.0000 -117.91016 -115.96238 1.94778 1.72128 -116.23271 312.41914
9155.0000 -117.71622 -115.48887 2.22735 1.76025 -115.72510 344.94392
9160.0000 -117.88525 -115.79027 2.09498 1.75184 -115.83472 355.70171
9165.0000 -118.28809 -116.52630 1.76178 1.74313 -115.94817 328.51236
9170.0000 -117.99732 -116.47598 1.52134 1.69434 -116.58349 292.33125
9175.0000 -118.26401 -116.35828 1.90573 1.71283 -116.34271 302.76514
9180.0000 -117.82416 -116.12188 1.70228 1.73303 -116.07971 321.18673
9185.0000 -117.68882 -115.90984 1.77898 1.74272 -115.95348 334.74583
9190.0000 -117.78319 -115.60752 2.17568 1.75517 -115.79136 347.78768
9195.0000 -117.49453 -115.84867 1.64586 1.76382 -115.67867 352.57177
9200.0000 -117.74791 -116.14188 1.60603 1.74434 -115.93232 331.81936
9205.0000 -118.27452 -116.16306 2.11146 1.72365 -116.20187 317.63540
9210.0000 -118.28147 -116.53078 1.75069 1.71644 -116.29570 306.44745
9215.0000 -118.48518 -116.83295 1.65223 1.69129 -116.62330 290.31164
9220.0000 -118.41198 -116.30027 2.11171 1.69443 -116.58241 288.45216
9225.0000 -117.89102 -116.21955 1.67147 1.72255 -116.21610 315.57027
9230.0000 -118.47794 -116.62800 1.84994 1.69748 -116.54267 290.69676
9235.0000 -118.70912 -117.05821 1.65091 1.67375 -116.85174 265.48846
9240.0000 -118.27492 -116.01515 2.25977 1.68906 -116.65232 286.73409
9245.0000 -118.23094 -115.74918 2.48176 1.72883 -116.13434 329.40158
9250.0000 -118.27981 -116.65973 1.62008 1.72417 -116.19508 317.92096
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 10 [min], 26.6994259 [s].
main_MD> Deallocating global variables
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