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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_46/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_46.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 = 46 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 46 4600
main_MD> Size of nv and nvoiz: 46 4600
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 = 46
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.15152291689737907 2.6329526317456272E-002 -0.12515507308667612 initial drift of cluster / NP1 for coalescence
init> 0.33869436449126555 0.31223847428457541 0.28103612131110894 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7269720579823353E-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) -3.13581 1.57676 4.58165
force_rgl> df(natom) -1.08448 2.81097 -2.60960
preparo> THERMALIZATION PROCESS AT 1210.9890121108224
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -99.082512234642394 6.5584913260216844 -105.64100356066407 6.2027667980916828E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
FREEZING PROCESS: loop number 1 T-loop= 1180.0000000000000
main_MD> interactions number 1 at Temperature= 1180.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.87847 3.35996 -0.95758
force_rgl> df(natom) -0.71296 11.28342 8.84675
5.0000 -107.69560 -100.01398 7.68163 2.85181 -99.08785 1179.68181
10.0000 -105.73182 -97.59768 8.13414 2.84653 -99.15555 1211.59626
15.0000 -105.90464 -98.67253 7.23212 2.94613 -97.87690 1294.55348
20.0000 -107.35572 -100.40781 6.94791 2.75594 -100.31859 1119.35725
25.0000 -106.10221 -99.33158 6.77063 2.82973 -99.37130 1175.39230
30.0000 -106.39465 -99.51098 6.88367 2.79077 -99.87141 1160.24343
35.0000 -106.90783 -100.02635 6.88148 2.83064 -99.35958 1173.60142
40.0000 -106.33699 -101.03343 5.30356 2.69785 -101.06432 1043.53445
45.0000 -106.70646 -100.37513 6.33132 2.67396 -101.37110 1052.29845
50.0000 -107.18427 -100.82948 6.35479 2.70714 -100.94506 1059.66770
55.0000 -107.08524 -100.80618 6.27906 2.70201 -101.01091 1065.39650
60.0000 -104.25720 -96.55743 7.69977 2.87700 -98.76446 1215.32132
65.0000 -103.87724 -96.67721 7.20003 2.98132 -97.42511 1289.08638
70.0000 -105.27421 -98.20601 7.06820 2.93787 -97.98299 1244.78489
75.0000 -106.54287 -99.32718 7.21569 2.89419 -98.54370 1204.73497
80.0000 -106.43593 -99.41483 7.02109 2.82825 -99.39031 1191.95085
85.0000 -105.04671 -97.77607 7.27064 2.84681 -99.15201 1212.63920
90.0000 -107.42948 -101.22679 6.20269 2.81065 -99.61619 1161.71765
95.0000 -105.15101 -98.59867 6.55234 2.77014 -100.13636 1080.99565
100.0000 -103.67498 -95.65678 8.01820 3.01734 -96.96273 1265.62576
105.0000 -104.22579 -97.83704 6.38876 3.08907 -96.04184 1359.94234
110.0000 -106.05392 -98.20416 7.84977 2.93946 -97.96258 1244.02685
115.0000 -105.16243 -98.23814 6.92429 2.95120 -97.81180 1224.89593
120.0000 -104.31495 -98.07236 6.24259 2.91595 -98.26433 1202.67901
125.0000 -104.32972 -97.81827 6.51145 2.94242 -97.92447 1223.27071
130.0000 -106.89529 -99.58591 7.30938 2.79835 -99.77409 1147.28911
135.0000 -106.88067 -99.59273 7.28794 2.80508 -99.68767 1168.58843
140.0000 -107.18671 -101.64104 5.54567 2.70327 -100.99478 1065.69398
145.0000 -107.18241 -101.62431 5.55810 2.72712 -100.68861 1057.44584
150.0000 -107.15598 -100.21168 6.94430 2.72386 -100.73041 1075.02686
155.0000 -105.66561 -100.04777 5.61783 2.72899 -100.66454 1115.76328
160.0000 -105.17742 -97.28451 7.89291 2.91949 -98.21885 1265.52132
165.0000 -101.46154 -95.98110 5.48044 3.00215 -97.15775 1278.92792
170.0000 -104.08420 -96.80858 7.27562 3.06600 -96.33794 1301.62407
175.0000 -106.53195 -99.76135 6.77060 2.85213 -99.08373 1143.94691
180.0000 -105.75315 -97.90693 7.84622 2.83331 -99.32530 1179.02608
185.0000 -105.86129 -98.34543 7.51585 3.01739 -96.96206 1335.65853
190.0000 -105.29557 -99.43924 5.85634 2.78388 -99.95994 1087.49586
195.0000 -104.25384 -97.18600 7.06784 2.91885 -98.22713 1220.86654
200.0000 -106.55392 -98.38734 8.16657 2.88406 -98.67375 1190.04315
205.0000 -105.71335 -98.35221 7.36114 2.93379 -98.03527 1228.37672
210.0000 -106.59437 -100.08150 6.51287 2.84435 -99.18353 1212.63231
215.0000 -107.04035 -98.68459 8.35576 2.83136 -99.35036 1177.35470
220.0000 -106.78316 -99.90122 6.88194 2.78554 -99.93861 1132.57118
225.0000 -106.52803 -100.80774 5.72029 2.76964 -100.14269 1102.89996
230.0000 -105.85696 -99.71288 6.14408 2.71457 -100.84975 1060.73362
235.0000 -106.92451 -98.70297 8.22154 2.85239 -99.08030 1210.18905
240.0000 -105.18822 -98.51705 6.67117 2.86282 -98.94647 1173.97449
245.0000 -106.47233 -99.19006 7.28227 2.85275 -99.07572 1151.00380
250.0000 -106.02373 -98.38909 7.63464 2.88350 -98.68096 1226.29287
FREEZING PROCESS: loop number 2 T-loop= 1155.0000000000000
main_MD> interactions number 2 at Temperature= 1155.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54424 0.05361 2.25374
force_rgl> df(natom) -1.44647 0.39170 -0.49511
255.0000 -105.79185 -97.83918 7.95267 2.93572 -98.01059 1249.98820
260.0000 -105.51617 -97.98503 7.53114 2.97086 -97.55938 1310.20679
265.0000 -105.85761 -99.47443 6.38317 2.88274 -98.69076 1193.32185
270.0000 -105.94428 -97.91740 8.02688 2.87329 -98.81207 1223.55413
275.0000 -106.14505 -99.01419 7.13085 2.86660 -98.89791 1195.99175
280.0000 -107.01522 -99.25063 7.76460 2.84285 -99.20279 1225.42358
285.0000 -104.72208 -99.11453 5.60756 2.87675 -98.76760 1188.95649
290.0000 -105.71405 -98.08332 7.63073 2.93843 -97.97579 1217.86599
295.0000 -105.75504 -99.65379 6.10126 2.82145 -99.47762 1165.81192
300.0000 -105.47762 -97.34671 8.13091 2.87003 -98.85389 1158.69654
305.0000 -106.93427 -100.44694 6.48733 2.91440 -98.28421 1244.22327
310.0000 -107.11625 -99.16087 7.95538 2.81436 -99.56854 1168.12370
315.0000 -107.04316 -100.01058 7.03258 2.77663 -100.05296 1163.11243
320.0000 -105.27039 -99.20992 6.06047 2.80541 -99.68345 1144.53140
325.0000 -107.07504 -98.81161 8.26343 2.81025 -99.62141 1163.52163
330.0000 -108.03436 -101.70765 6.32671 2.77313 -100.09790 1085.71913
335.0000 -105.37597 -98.31519 7.06078 2.81518 -99.55805 1145.51067
340.0000 -104.82758 -99.24773 5.57985 2.89581 -98.52293 1223.25081
345.0000 -108.01657 -100.43515 7.58142 2.84861 -99.12893 1199.75688
350.0000 -106.19624 -99.01586 7.18038 2.84520 -99.17271 1201.99946
355.0000 -103.41079 -97.10321 6.30759 2.93474 -98.02307 1261.81313
360.0000 -104.67183 -97.38196 7.28988 2.93066 -98.07546 1259.32659
365.0000 -105.24985 -96.71597 8.53388 2.99974 -97.18866 1304.43164
370.0000 -105.24838 -97.19615 8.05223 3.02345 -96.88423 1290.49726
375.0000 -106.75704 -99.29281 7.46424 2.92952 -98.09015 1214.38698
380.0000 -105.62760 -98.14907 7.47854 2.88783 -98.62536 1194.74598
385.0000 -106.50874 -100.24080 6.26793 2.82746 -99.40047 1135.01550
390.0000 -106.39236 -100.75288 5.63948 2.74912 -100.40610 1099.86715
395.0000 -107.08199 -100.63108 6.45091 2.75357 -100.34904 1114.43323
400.0000 -105.33956 -98.23438 7.10518 2.76226 -100.23749 1102.57049
405.0000 -105.95111 -98.92327 7.02784 2.86594 -98.90634 1133.73375
410.0000 -107.96713 -100.66402 7.30312 2.83361 -99.32142 1149.59922
415.0000 -106.71511 -99.99987 6.71525 2.80943 -99.63190 1139.14785
420.0000 -104.62117 -97.19277 7.42840 2.90446 -98.41193 1226.83994
425.0000 -106.33412 -99.18215 7.15198 2.90709 -98.37806 1266.42415
430.0000 -105.56517 -98.81046 6.75470 2.86980 -98.85682 1187.08714
435.0000 -105.81172 -99.97830 5.83342 2.82418 -99.44249 1095.43186
440.0000 -107.54143 -100.88783 6.65361 2.74452 -100.46517 1099.76309
445.0000 -107.27716 -100.06005 7.21712 2.74108 -100.50932 1110.40394
450.0000 -106.99282 -100.62338 6.36944 2.71834 -100.80131 1061.72121
455.0000 -107.03506 -99.65199 7.38307 2.82513 -99.43033 1166.10853
460.0000 -106.44972 -99.18438 7.26534 2.80613 -99.67424 1115.27158
465.0000 -104.99475 -98.19820 6.79655 3.00107 -97.17151 1258.77184
470.0000 -107.33145 -97.99412 9.33733 2.86927 -98.86367 1215.37564
475.0000 -105.68877 -99.92877 5.76000 2.84088 -99.22809 1185.64386
480.0000 -106.70113 -98.20958 8.49155 2.86106 -98.96911 1161.82327
485.0000 -104.40305 -97.89290 6.51015 2.92679 -98.12524 1256.34453
490.0000 -105.40480 -97.23161 8.17319 3.01646 -96.97404 1291.22930
495.0000 -103.71279 -97.43260 6.28019 2.98486 -97.37971 1291.32560
500.0000 -107.37872 -101.02714 6.35158 2.86128 -98.96628 1187.98461
FREEZING PROCESS: loop number 3 T-loop= 1130.0000000000000
main_MD> interactions number 3 at Temperature= 1130.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.86133 -1.43191 -1.36182
force_rgl> df(natom) 0.37392 0.22589 1.57147
505.0000 -107.43506 -100.90246 6.53259 2.73499 -100.58758 1063.59658
510.0000 -108.23767 -102.10601 6.13166 2.69096 -101.15278 1074.37045
515.0000 -106.12857 -99.68910 6.43947 2.71270 -100.87369 1078.18025
520.0000 -104.96559 -98.45298 6.51261 2.79564 -99.80892 1134.94568
525.0000 -105.50430 -98.63925 6.86505 2.85369 -99.06368 1149.61082
530.0000 -106.13507 -100.54428 5.59079 2.78809 -99.90589 1084.12307
535.0000 -106.85868 -100.86358 5.99511 2.76862 -100.15586 1102.50400
540.0000 -107.34234 -101.22570 6.11664 2.69049 -101.15888 1061.71063
545.0000 -106.17416 -100.63044 5.54372 2.71136 -100.89096 1096.85189
550.0000 -106.08468 -99.36473 6.71996 2.79474 -99.82043 1142.94388
555.0000 -105.89134 -97.74353 8.14780 2.85434 -99.05538 1201.15414
560.0000 -105.74396 -97.02358 8.72038 2.92877 -98.09981 1233.72207
565.0000 -104.15316 -97.51363 6.63954 3.02296 -96.89060 1354.06251
570.0000 -107.28181 -99.77898 7.50282 2.80131 -99.73612 1142.63717
575.0000 -107.28457 -100.26045 7.02412 2.78552 -99.93884 1170.55794
580.0000 -105.91141 -99.19015 6.72126 2.77122 -100.12240 1139.22587
585.0000 -106.02431 -97.98483 8.03949 2.90476 -98.40798 1247.70226
590.0000 -106.23388 -98.79185 7.44203 2.89985 -98.47111 1243.61411
595.0000 -105.90888 -98.61666 7.29221 2.90635 -98.38760 1217.03177
600.0000 -106.10363 -98.29505 7.80858 2.85024 -99.10796 1168.97286
605.0000 -106.63228 -99.74583 6.88645 2.85275 -99.07569 1124.03756
610.0000 -107.62549 -101.50311 6.12237 2.74749 -100.42705 1110.49552
615.0000 -107.31688 -101.32557 5.99131 2.70738 -100.94207 1044.26307
620.0000 -108.25333 -99.39056 8.86278 2.74698 -100.43369 1072.90559
625.0000 -105.55753 -98.32216 7.23537 2.83381 -99.31892 1157.70170
630.0000 -103.17239 -95.33740 7.83499 3.05268 -96.50904 1283.33486
635.0000 -105.47115 -98.07929 7.39186 3.02145 -96.90991 1258.98865
640.0000 -107.49919 -101.64004 5.85915 2.71298 -100.87017 1108.57170
645.0000 -107.43020 -101.49253 5.93766 2.66688 -101.46197 1041.48448
650.0000 -108.04625 -101.26775 6.77850 2.67468 -101.36180 1024.48855
655.0000 -106.46287 -99.99779 6.46508 2.70095 -101.02462 1058.03898
660.0000 -106.92512 -100.40998 6.51514 2.74078 -100.51328 1109.81794
665.0000 -108.36471 -101.57690 6.78781 2.72910 -100.66320 1129.51303
670.0000 -107.43320 -100.04455 7.38864 2.74321 -100.48201 1102.37350
675.0000 -105.76260 -98.90164 6.86096 2.78783 -99.90919 1130.76000
680.0000 -106.25805 -98.55640 7.70165 2.88851 -98.61665 1189.65784
685.0000 -105.42004 -98.72146 6.69858 2.83721 -99.27527 1181.61746
690.0000 -106.41260 -98.76743 7.64518 3.00095 -97.17308 1304.64047
695.0000 -106.50866 -99.11630 7.39236 2.90134 -98.45192 1176.46229
700.0000 -105.23813 -98.54868 6.68945 2.82977 -99.37070 1185.02909
705.0000 -107.47473 -100.40962 7.06511 2.85578 -99.03689 1173.37613
710.0000 -106.48758 -100.59479 5.89278 2.73868 -100.54020 1128.66875
715.0000 -105.72937 -99.56791 6.16146 2.68640 -101.21139 1063.44151
720.0000 -105.59673 -98.78014 6.81659 2.80155 -99.73307 1119.54193
725.0000 -105.17737 -99.70031 5.47706 2.78937 -99.88944 1089.87637
730.0000 -108.32427 -100.31404 8.01023 2.65138 -101.66102 1048.45936
735.0000 -105.23943 -97.00447 8.23495 2.81600 -99.54759 1153.93307
740.0000 -105.56101 -98.39370 7.16731 2.91279 -98.30488 1214.36055
745.0000 -107.25503 -100.59484 6.66019 2.89437 -98.54147 1244.61775
750.0000 -106.17373 -98.49667 7.67706 2.80091 -99.74127 1131.18531
FREEZING PROCESS: loop number 4 T-loop= 1105.0000000000000
main_MD> interactions number 4 at Temperature= 1105.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39342 0.80317 0.06379
force_rgl> df(natom) -0.95267 -1.78497 6.54372
755.0000 -107.26591 -99.82720 7.43871 2.78674 -99.92323 1089.71306
760.0000 -108.99802 -102.95787 6.04015 2.71827 -100.80223 1087.81521
765.0000 -107.79126 -102.42400 5.36727 2.53023 -103.21629 933.72621
770.0000 -107.70203 -102.08136 5.62067 2.65479 -101.61716 1050.81565
775.0000 -108.07502 -101.17572 6.89930 2.70152 -101.01721 1025.58109
780.0000 -108.12989 -102.08069 6.04920 2.60745 -102.22501 988.58312
785.0000 -107.93033 -102.45515 5.47519 2.54189 -103.06663 955.57141
790.0000 -108.17617 -102.11460 6.06157 2.58325 -102.53566 988.93435
795.0000 -106.89122 -100.00270 6.88852 2.69453 -101.10699 1077.23854
800.0000 -104.73940 -98.18744 6.55196 2.82706 -99.40558 1174.98461
805.0000 -106.14708 -98.51433 7.63275 2.88110 -98.71183 1216.89422
810.0000 -107.61962 -100.64303 6.97658 2.78403 -99.95796 1140.06912
815.0000 -106.86715 -100.64996 6.21719 2.75682 -100.30735 1138.90811
820.0000 -107.23022 -101.13166 6.09855 2.72310 -100.74022 1099.90120
825.0000 -107.07786 -99.72079 7.35707 2.70345 -100.99242 1081.58168
830.0000 -106.54597 -99.88902 6.65694 2.89469 -98.53733 1244.95320
835.0000 -105.75110 -98.97001 6.78109 2.73289 -100.61454 1089.35232
840.0000 -107.20092 -99.94686 7.25407 2.80739 -99.65809 1185.16632
845.0000 -107.23257 -100.06841 7.16416 2.81769 -99.52584 1178.89577
850.0000 -106.39895 -98.70178 7.69717 2.87180 -98.83120 1179.99172
855.0000 -105.83900 -98.48777 7.35123 2.90137 -98.45159 1245.63270
860.0000 -106.28166 -97.41467 8.86700 2.90579 -98.39483 1207.77395
865.0000 -106.56757 -99.56396 7.00360 2.93248 -98.05213 1239.35944
870.0000 -107.67559 -100.52168 7.15392 2.86043 -98.97719 1162.53582
875.0000 -105.90218 -99.47349 6.42869 2.82237 -99.46571 1149.67541
880.0000 -107.38323 -100.22327 7.15996 2.74197 -100.49797 1099.14551
885.0000 -106.60202 -101.23744 5.36459 2.68810 -101.18959 1078.54205
890.0000 -107.00787 -101.96596 5.04191 2.61930 -102.07287 993.66591
895.0000 -106.84884 -100.91487 5.93397 2.65223 -101.65008 1045.65019
900.0000 -106.98373 -101.23368 5.75005 2.72581 -100.70540 1069.97015
905.0000 -108.45864 -102.19409 6.26455 2.67766 -101.32356 1021.38595
910.0000 -107.17559 -101.72880 5.44679 2.63723 -101.84260 1009.61667
915.0000 -107.54946 -99.97441 7.57504 2.73946 -100.53014 1142.67809
920.0000 -107.08194 -100.90083 6.18111 2.74704 -100.43287 1124.58244
925.0000 -107.34580 -100.15957 7.18623 2.67209 -101.39503 1055.15631
930.0000 -107.65300 -101.83887 5.81414 2.70893 -100.92216 1080.08691
935.0000 -107.35571 -100.80878 6.54693 2.69834 -101.05803 1052.25055
940.0000 -108.78674 -101.97224 6.81450 2.70747 -100.94089 1026.93489
945.0000 -107.37945 -101.36876 6.01069 2.65177 -101.65599 1019.33211
950.0000 -106.40761 -101.24863 5.15898 2.70725 -100.94370 1053.32846
955.0000 -106.91423 -100.73279 6.18144 2.70476 -100.97565 1060.30728
960.0000 -105.54896 -99.82938 5.71958 2.77710 -100.04690 1105.98950
965.0000 -108.28831 -99.44721 8.84110 2.78653 -99.92588 1118.09738
970.0000 -104.96217 -97.78281 7.17937 2.84203 -99.21340 1186.21103
975.0000 -104.92194 -97.19547 7.72647 2.89203 -98.57141 1186.52688
980.0000 -104.65650 -98.28267 6.37384 2.88142 -98.70770 1164.88137
985.0000 -106.98995 -99.58808 7.40187 2.90043 -98.46357 1189.53770
990.0000 -107.44644 -100.38431 7.06213 2.81590 -99.54879 1145.03980
995.0000 -106.04686 -99.55687 6.48999 2.77946 -100.01663 1122.00223
1000.0000 -107.22495 -99.34006 7.88489 2.81486 -99.56219 1205.20520
FREEZING PROCESS: loop number 5 T-loop= 1080.0000000000000
main_MD> interactions number 5 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06034 -6.18219 -3.94693
force_rgl> df(natom) 2.38842 -1.98071 -0.00679
1005.0000 -106.21080 -99.29615 6.91465 2.78080 -99.99951 1141.68005
1010.0000 -107.13042 -100.55040 6.58002 2.77293 -100.10043 1147.53794
1015.0000 -106.32947 -100.99875 5.33072 2.66062 -101.54232 1079.43347
1020.0000 -108.47510 -101.53975 6.93535 2.69544 -101.09537 1088.69923
1025.0000 -105.87266 -99.66913 6.20353 2.70374 -100.98882 1088.38260
1030.0000 -108.28535 -101.77843 6.50692 2.75777 -100.29515 1128.69756
1035.0000 -107.31790 -101.66119 5.65671 2.63953 -101.81306 1022.85720
1040.0000 -108.16193 -101.42415 6.73778 2.66194 -101.52536 1036.65189
1045.0000 -108.69002 -102.27566 6.41436 2.60353 -102.27534 1012.79974
1050.0000 -107.01000 -99.92841 7.08160 2.67942 -101.30095 1025.29400
1055.0000 -106.06823 -98.50596 7.56228 2.77462 -100.07879 1136.53209
1060.0000 -106.56883 -100.36184 6.20699 2.84874 -99.12722 1184.41561
1065.0000 -106.02438 -99.97895 6.04543 2.75114 -100.38026 1108.72463
1070.0000 -108.02822 -99.78012 8.24810 2.81415 -99.57135 1166.77533
1075.0000 -106.21248 -98.97067 7.24181 2.79233 -99.85137 1134.99046
1080.0000 -104.27303 -98.54972 5.72331 2.87430 -98.79904 1146.79044
1085.0000 -108.54515 -101.97474 6.57041 2.81203 -99.59856 1076.22253
1090.0000 -106.08836 -99.46898 6.61938 2.75078 -100.38479 1109.86740
1095.0000 -106.68659 -99.75566 6.93093 2.79799 -99.77878 1075.58251
1100.0000 -106.88525 -101.15805 5.72721 2.69777 -101.06542 989.55632
1105.0000 -107.87518 -101.55343 6.32175 2.69409 -101.11259 1024.18706
1110.0000 -106.28775 -100.24164 6.04611 2.72648 -100.69681 1058.53926
1115.0000 -107.46281 -101.07365 6.38916 2.79053 -99.87455 1104.82830
1120.0000 -109.36859 -102.24995 7.11864 2.68225 -101.26471 1046.39002
1125.0000 -108.16953 -100.01290 8.15663 2.78216 -99.98198 1123.83432
1130.0000 -106.97761 -100.74442 6.23320 2.74508 -100.45806 1106.36381
1135.0000 -106.17586 -98.81247 7.36340 2.87990 -98.72722 1206.60452
1140.0000 -107.70481 -100.69954 7.00527 2.78484 -99.94757 1148.14366
1145.0000 -108.11151 -101.98571 6.12580 2.67999 -101.29365 1043.61966
1150.0000 -106.72071 -99.54883 7.17188 2.73180 -100.62852 1116.20685
1155.0000 -106.56752 -100.63519 5.93233 2.76732 -100.17245 1111.01388
1160.0000 -105.79493 -99.98496 5.80997 2.75772 -100.29575 1121.87352
1165.0000 -106.49860 -100.03220 6.46640 2.76473 -100.20574 1111.91554
1170.0000 -107.19428 -100.05726 7.13701 2.81309 -99.58493 1110.91246
1175.0000 -106.57134 -101.08755 5.48379 2.74734 -100.42899 1018.16327
1180.0000 -106.74950 -99.69100 7.05850 2.75483 -100.33289 1123.28447
1185.0000 -106.20229 -98.44935 7.75295 2.92272 -98.17747 1245.40773
1190.0000 -106.84086 -99.76153 7.07932 2.83336 -99.32461 1143.44969
1195.0000 -106.21470 -100.77748 5.43722 2.79120 -99.86599 1147.85740
1200.0000 -108.13740 -101.49613 6.64128 2.67135 -101.40464 1005.88106
1205.0000 -107.58643 -102.03103 5.55540 2.60634 -102.23915 997.47326
1210.0000 -105.84631 -99.89049 5.95582 2.72059 -100.77249 1067.36867
1215.0000 -106.25855 -101.13941 5.11914 2.75316 -100.35427 1061.91358
1220.0000 -106.93842 -99.11673 7.82168 2.73544 -100.58183 1081.12017
1225.0000 -107.14765 -99.96261 7.18504 2.84286 -99.20276 1164.17398
1230.0000 -106.80696 -101.18367 5.62328 2.74621 -100.44356 1061.87381
1235.0000 -108.39927 -101.54085 6.85842 2.69383 -101.11600 1044.39957
1240.0000 -106.06372 -99.08179 6.98193 2.73418 -100.59801 1105.78519
1245.0000 -105.80257 -99.63580 6.16676 2.84362 -99.19290 1184.56572
1250.0000 -107.40908 -101.06129 6.34779 2.77643 -100.05551 1153.26065
FREEZING PROCESS: loop number 6 T-loop= 1055.0000000000000
main_MD> interactions number 6 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72502 1.04926 -5.01478
force_rgl> df(natom) 1.81339 2.87019 1.34855
1255.0000 -108.91287 -102.08306 6.82980 2.68835 -101.18634 1054.75844
1260.0000 -106.70530 -100.00114 6.70416 2.69655 -101.08102 1061.73755
1265.0000 -106.36138 -100.13864 6.22274 2.71795 -100.80633 1032.10856
1270.0000 -106.93186 -99.63326 7.29860 2.77457 -100.07946 1125.50900
1275.0000 -106.02681 -99.91211 6.11471 2.66385 -101.50087 1048.32913
1280.0000 -107.29600 -101.24688 6.04912 2.74550 -100.45260 1093.83381
1285.0000 -106.72628 -99.70326 7.02302 2.64309 -101.76740 1025.99648
1290.0000 -108.26095 -103.16470 5.09625 2.69473 -101.10440 1088.28768
1295.0000 -107.66589 -101.49248 6.17341 2.57332 -102.66315 974.33692
1300.0000 -108.32151 -101.93903 6.38248 2.62931 -101.94427 1005.82350
1305.0000 -108.08857 -101.89025 6.19832 2.64231 -101.77747 1009.20772
1310.0000 -107.92760 -102.72497 5.20264 2.54166 -103.06962 903.36631
1315.0000 -106.97816 -101.68036 5.29779 2.64510 -101.74160 993.62123
1320.0000 -108.17462 -101.41775 6.75687 2.70454 -100.97849 1071.23097
1325.0000 -108.32573 -102.11319 6.21253 2.64266 -101.77288 1038.52965
1330.0000 -106.91537 -100.81228 6.10309 2.68247 -101.26179 1042.17329
1335.0000 -107.75720 -100.60243 7.15477 2.78038 -100.00487 1138.52202
1340.0000 -106.12136 -99.74170 6.37966 2.75064 -100.38665 1134.62810
1345.0000 -106.01745 -99.84246 6.17499 2.77528 -100.07028 1146.13710
1350.0000 -106.85738 -101.59161 5.26578 2.65787 -101.57763 1055.11499
1355.0000 -108.34963 -102.92645 5.42319 2.65828 -101.57237 1058.34902
1360.0000 -108.11037 -101.39097 6.71939 2.63065 -101.92706 1008.14411
1365.0000 -106.99631 -101.59588 5.40043 2.64652 -101.72340 1040.71145
1370.0000 -107.95413 -101.80358 6.15055 2.65673 -101.59234 1029.24255
1375.0000 -107.35073 -101.98172 5.36901 2.65449 -101.62098 1052.64720
1380.0000 -107.14693 -102.48583 4.66111 2.59187 -102.42492 990.08598
1385.0000 -108.46298 -101.99016 6.47282 2.60411 -102.26789 946.92194
1390.0000 -106.22269 -98.52929 7.69340 2.76114 -100.25188 1142.50649
1395.0000 -105.93791 -99.77769 6.16022 2.78793 -99.90788 1130.23133
1400.0000 -105.32421 -99.30031 6.02390 2.76872 -100.15452 1076.58135
1405.0000 -107.18218 -100.97652 6.20566 2.75527 -100.32722 1099.59529
1410.0000 -109.02415 -102.45544 6.56871 2.61512 -102.12652 1014.69551
1415.0000 -106.81367 -100.84426 5.96942 2.66215 -101.52270 1057.87979
1420.0000 -108.09868 -101.37747 6.72120 2.70786 -100.93590 1074.85062
1425.0000 -108.06042 -101.46885 6.59157 2.64777 -101.70729 1020.21690
1430.0000 -109.24468 -102.85989 6.38479 2.55760 -102.86494 945.55161
1435.0000 -108.39347 -102.69854 5.69493 2.58498 -102.51347 984.14753
1440.0000 -107.58384 -99.71773 7.86611 2.65653 -101.59480 1040.43618
1445.0000 -106.06403 -99.21298 6.85105 2.93091 -98.07235 1208.30277
1450.0000 -107.42393 -100.96632 6.45761 2.71807 -100.80477 1077.23344
1455.0000 -106.73899 -100.66064 6.07836 2.67191 -101.39735 1028.66050
1460.0000 -106.24627 -100.59471 5.65156 2.69673 -101.07881 1046.37870
1465.0000 -105.68420 -99.07147 6.61272 2.83321 -99.32658 1092.79657
1470.0000 -107.64473 -101.22763 6.41710 2.75389 -100.34498 1098.43085
1475.0000 -106.73233 -99.99493 6.73740 2.68918 -101.17568 1074.81138
1480.0000 -106.62852 -100.10448 6.52404 2.72771 -100.68099 1099.45642
1485.0000 -106.23635 -99.49529 6.74106 2.80904 -99.63686 1141.54710
1490.0000 -107.00296 -98.92069 8.08228 2.83108 -99.35392 1161.25564
1495.0000 -107.56386 -101.10655 6.45731 2.72005 -100.77940 1066.84524
1500.0000 -106.72780 -100.17439 6.55342 2.75886 -100.28112 1119.61923
FREEZING PROCESS: loop number 7 T-loop= 1030.0000000000000
main_MD> interactions number 7 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31665 -1.64108 -0.71611
force_rgl> df(natom) 0.92784 -0.99391 -2.43357
1505.0000 -106.74164 -100.35591 6.38574 2.75369 -100.34751 1124.13126
1510.0000 -107.99824 -99.85622 8.14203 2.81560 -99.55273 1176.92547
1515.0000 -107.67383 -102.03631 5.63752 2.65953 -101.55639 1014.14350
1520.0000 -106.92871 -100.23282 6.69590 2.71220 -100.88015 1071.50633
1525.0000 -107.08692 -100.61080 6.47612 2.67295 -101.38399 1034.92861
1530.0000 -106.58140 -99.54983 7.03157 2.85124 -99.09506 1177.59779
1535.0000 -107.35285 -100.97615 6.37670 2.78106 -99.99612 1134.50214
1540.0000 -108.40360 -101.33954 7.06406 2.72107 -100.76626 1109.23974
1545.0000 -107.12017 -100.93501 6.18515 2.63987 -101.80869 1015.75143
1550.0000 -108.03582 -100.45468 7.58114 2.75375 -100.34676 1087.70139
1555.0000 -108.23247 -101.63652 6.59596 2.68137 -101.27594 1067.87883
1560.0000 -107.62144 -101.33184 6.28960 2.63086 -101.92441 1017.95257
1565.0000 -106.88301 -100.80894 6.07407 2.78805 -99.90631 1101.16828
1570.0000 -106.99346 -100.95919 6.03427 2.73381 -100.60270 1086.26360
1575.0000 -106.90434 -101.87883 5.02551 2.66012 -101.54872 1041.34308
1580.0000 -108.82840 -102.76022 6.06818 2.61953 -102.06985 986.30746
1585.0000 -108.79486 -101.83365 6.96121 2.59500 -102.38484 1011.01900
1590.0000 -108.05078 -103.61618 4.43459 2.55566 -102.88985 965.84537
1595.0000 -108.66595 -103.48031 5.18564 2.56611 -102.75566 974.81806
1600.0000 -109.23487 -103.33435 5.90053 2.53374 -103.17121 963.59135
1605.0000 -107.59306 -102.57722 5.01583 2.60088 -102.30935 1018.51796
1610.0000 -107.23387 -100.43889 6.79497 2.63685 -101.84748 1061.87128
1615.0000 -106.85224 -101.62434 5.22790 2.71697 -100.81890 1052.05021
1620.0000 -110.73432 -105.21211 5.52221 2.55345 -102.91816 950.99827
1625.0000 -110.10993 -104.84568 5.26425 2.41673 -104.67341 895.94186
1630.0000 -109.40091 -104.24244 5.15846 2.44233 -104.34485 852.80310
1635.0000 -107.41070 -101.56492 5.84578 2.59876 -102.33655 1005.25599
1640.0000 -107.21436 -102.25765 4.95671 2.62087 -102.05267 1035.57590
1645.0000 -107.92190 -101.12190 6.80000 2.62022 -102.06106 1042.68329
1650.0000 -108.80471 -103.72086 5.08386 2.64203 -101.78101 1019.21201
1655.0000 -105.86412 -100.34692 5.51719 2.69952 -101.04294 1057.70056
1660.0000 -107.05812 -101.24393 5.81418 2.69196 -101.14004 1021.11966
1665.0000 -107.89433 -101.54717 6.34716 2.69985 -101.03874 1061.51602
1670.0000 -108.26393 -102.44302 5.82091 2.62214 -102.03641 972.82563
1675.0000 -106.88189 -98.77103 8.11086 2.66698 -101.46071 1035.50416
1680.0000 -106.88754 -100.28828 6.59926 2.80985 -99.62652 1148.39854
1685.0000 -107.88340 -102.76782 5.11559 2.71712 -100.81699 1053.16062
1690.0000 -107.65719 -101.59952 6.05766 2.55246 -102.93098 988.86604
1695.0000 -107.93274 -101.46213 6.47061 2.68282 -101.25729 1048.19394
1700.0000 -109.61596 -101.86003 7.75592 2.64698 -101.71746 1046.79390
1705.0000 -107.18951 -102.00939 5.18012 2.67293 -101.38427 1031.91594
1710.0000 -110.85467 -104.18769 6.66698 2.49122 -103.71720 891.69854
1715.0000 -108.34335 -103.62432 4.71903 2.44699 -104.28496 876.41664
1720.0000 -110.24628 -103.42865 6.81763 2.49886 -103.61901 945.40947
1725.0000 -108.98039 -101.92147 7.05892 2.57108 -102.69184 997.89533
1730.0000 -107.19793 -100.77034 6.42759 2.62474 -102.00303 984.45628
1735.0000 -107.20056 -101.19450 6.00606 2.74309 -100.48363 1116.35713
1740.0000 -108.29463 -101.88558 6.40906 2.65872 -101.56669 997.61870
1745.0000 -107.72795 -100.75824 6.96972 2.65620 -101.59905 1021.66012
1750.0000 -106.60729 -99.73561 6.87168 2.71992 -100.78103 1049.51103
FREEZING PROCESS: loop number 8 T-loop= 1005.0000000000000
main_MD> interactions number 8 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.46294 1.81801 -0.67033
force_rgl> df(natom) 0.65626 1.24849 -0.76095
1755.0000 -107.36070 -100.85454 6.50616 2.80102 -99.73991 1163.61172
1760.0000 -107.40549 -102.07127 5.33421 2.70642 -100.95438 1065.34270
1765.0000 -107.88114 -102.76182 5.11932 2.54264 -103.05704 898.89061
1770.0000 -107.58486 -102.36007 5.22479 2.57035 -102.70130 949.95486
1775.0000 -108.27336 -101.68185 6.59151 2.62260 -102.03046 978.28758
1780.0000 -106.08395 -100.55251 5.53143 2.70242 -101.00565 1071.24009
1785.0000 -108.21233 -102.39076 5.82157 2.67094 -101.40985 1022.18096
1790.0000 -109.60267 -103.28708 6.31559 2.56685 -102.74625 993.28150
1795.0000 -109.19860 -102.07150 7.12710 2.54054 -103.08395 936.94709
1800.0000 -106.99895 -100.78409 6.21486 2.67182 -101.39855 1069.45770
1805.0000 -108.21000 -101.21426 6.99575 2.69690 -101.07660 1018.75064
1810.0000 -106.20392 -100.56083 5.64309 2.69935 -101.04507 1038.47794
1815.0000 -107.41271 -101.21926 6.19345 2.74987 -100.39658 1135.73383
1820.0000 -108.43836 -101.63243 6.80593 2.60086 -102.30955 986.57956
1825.0000 -108.48952 -102.95859 5.53093 2.59070 -102.44001 987.55671
1830.0000 -108.21316 -101.24527 6.96789 2.64095 -101.79493 1032.92697
1835.0000 -108.07855 -102.23550 5.84305 2.64471 -101.74654 1043.51746
1840.0000 -108.80941 -103.27068 5.53874 2.50339 -103.56089 923.89885
1845.0000 -108.77378 -103.90249 4.87129 2.48521 -103.79434 880.48406
1850.0000 -107.56668 -101.17799 6.38870 2.59663 -102.36386 1011.96617
1855.0000 -107.26391 -101.41422 5.84970 2.70945 -100.91550 1091.22597
1860.0000 -106.54377 -101.21730 5.32647 2.68186 -101.26964 1028.79784
1865.0000 -107.42792 -100.93950 6.48842 2.67675 -101.33523 1032.78132
1870.0000 -107.08257 -100.77933 6.30324 2.73411 -100.59891 1070.75324
1875.0000 -106.79375 -101.71818 5.07557 2.70312 -100.99666 1066.46192
1880.0000 -107.50965 -101.07268 6.43697 2.60752 -102.22405 1019.82781
1885.0000 -107.00454 -102.47109 4.53346 2.64145 -101.78842 1017.80309
1890.0000 -108.44379 -102.46420 5.97959 2.53335 -103.17629 940.41457
1895.0000 -107.79132 -102.22523 5.56610 2.57755 -102.60885 972.40712
1900.0000 -109.21388 -104.83400 4.37988 2.48925 -103.74249 899.38648
1905.0000 -108.78585 -102.93135 5.85451 2.45893 -104.13171 931.77724
1910.0000 -107.70493 -101.40333 6.30160 2.57330 -102.66334 987.23114
1915.0000 -105.92672 -100.24900 5.67772 2.68318 -101.25272 1041.42062
1920.0000 -107.12550 -100.63251 6.49298 2.69020 -101.16259 1056.09064
1925.0000 -108.34006 -102.19152 6.14853 2.66649 -101.46692 1049.55496
1930.0000 -107.10735 -101.48219 5.62515 2.64765 -101.70889 1053.01986
1935.0000 -109.01496 -102.31360 6.70135 2.63640 -101.85332 1025.16630
1940.0000 -109.08774 -103.93259 5.15515 2.55652 -102.87878 981.53335
1945.0000 -107.89961 -102.75548 5.14413 2.52041 -103.34237 914.65949
1950.0000 -108.08386 -102.52861 5.55526 2.57674 -102.61922 968.88926
1955.0000 -108.18592 -102.18720 5.99872 2.63518 -101.86894 1011.20057
1960.0000 -108.13868 -101.89032 6.24836 2.62739 -101.96897 1020.59391
1965.0000 -108.75608 -102.09396 6.66213 2.60360 -102.27437 995.02358
1970.0000 -108.51822 -102.35616 6.16206 2.60017 -102.31845 988.41824
1975.0000 -108.81245 -102.46561 6.34684 2.58654 -102.49336 994.04466
1980.0000 -108.82618 -103.27045 5.55573 2.54753 -102.99416 955.87097
1985.0000 -107.90746 -101.61433 6.29313 2.54550 -103.02025 970.18679
1990.0000 -108.38917 -102.33312 6.05605 2.62611 -101.98533 1023.03055
1995.0000 -108.05483 -103.20284 4.85199 2.61689 -102.10371 992.88267
2000.0000 -108.42545 -101.64648 6.77897 2.53786 -103.11837 945.41053
FREEZING PROCESS: loop number 9 T-loop= 980.00000000000000
main_MD> interactions number 9 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.44073 1.94022 -0.17455
force_rgl> df(natom) -1.16479 -2.49731 -0.40331
2005.0000 -106.78260 -100.76362 6.01899 2.62810 -101.95982 972.51395
2010.0000 -106.32900 -99.42533 6.90368 2.74798 -100.42079 1112.91219
2015.0000 -107.39403 -101.44220 5.95183 2.74927 -100.40425 1099.40110
2020.0000 -107.76601 -101.82709 5.93892 2.70154 -101.01697 1066.59578
2025.0000 -106.59029 -100.81648 5.77381 2.67068 -101.41325 1046.33699
2030.0000 -107.73438 -101.95751 5.77687 2.67931 -101.30238 1004.80100
2035.0000 -107.27612 -101.85792 5.41820 2.64055 -101.80007 1030.27404
2040.0000 -108.54578 -102.82104 5.72474 2.58962 -102.45382 1006.03910
2045.0000 -109.26429 -102.80685 6.45745 2.55942 -102.84159 982.15770
2050.0000 -105.78539 -101.75024 4.03515 2.63027 -101.93203 1007.48208
2055.0000 -108.34175 -102.38460 5.95715 2.60234 -102.29050 922.82425
2060.0000 -109.21218 -103.73976 5.47242 2.52921 -103.22947 956.19025
2065.0000 -110.25129 -105.57363 4.67766 2.46286 -104.08124 885.17750
2070.0000 -109.62616 -104.04108 5.58508 2.47624 -103.90943 897.59198
2075.0000 -109.65999 -103.64748 6.01252 2.49051 -103.72626 921.36288
2080.0000 -107.30144 -101.62430 5.67714 2.57483 -102.64367 1017.21920
2085.0000 -109.08453 -102.22826 6.85627 2.66002 -101.55002 1032.61826
2090.0000 -108.76177 -102.66607 6.09570 2.62061 -102.05604 954.05272
2095.0000 -108.33095 -102.66162 5.66932 2.54878 -102.97819 950.99674
2100.0000 -108.30116 -102.33395 5.96721 2.64152 -101.78760 1015.48309
2105.0000 -109.27710 -103.80443 5.47267 2.51984 -103.34969 941.53463
2110.0000 -107.14694 -100.97753 6.16941 2.51889 -103.36190 929.80409
2115.0000 -109.84619 -103.38035 6.46585 2.54175 -103.06840 945.46619
2120.0000 -109.20587 -103.61787 5.58800 2.48620 -103.78163 937.74529
2125.0000 -108.95380 -103.03744 5.91637 2.49268 -103.69845 891.74748
2130.0000 -108.12207 -102.71225 5.40982 2.52486 -103.28521 942.35152
2135.0000 -108.09898 -102.83552 5.26346 2.55181 -102.93932 934.59711
2140.0000 -107.90119 -102.38114 5.52005 2.61783 -102.09171 1012.33310
2145.0000 -108.82640 -101.95512 6.87128 2.62433 -102.00829 971.22754
2150.0000 -109.15132 -104.11301 5.03830 2.61516 -102.12599 949.72386
2155.0000 -107.49563 -102.38462 5.11101 2.55302 -102.92373 964.63827
2160.0000 -106.66293 -100.66612 5.99681 2.68849 -101.18457 1052.71300
2165.0000 -107.70334 -101.91428 5.78906 2.73205 -100.62529 1088.75595
2170.0000 -108.42055 -102.06888 6.35166 2.61050 -102.18578 1002.28179
2175.0000 -107.36881 -102.00299 5.36582 2.57461 -102.64658 968.12832
2180.0000 -108.69811 -102.02077 6.67734 2.61751 -102.09583 1010.81073
2185.0000 -108.21744 -102.68485 5.53259 2.59710 -102.35789 1005.85675
2190.0000 -107.62827 -101.20562 6.42265 2.63598 -101.85869 1005.64934
2195.0000 -107.25935 -102.20351 5.05583 2.68377 -101.24512 1053.85527
2200.0000 -109.11978 -103.01075 6.10903 2.57848 -102.59689 961.02744
2205.0000 -106.98674 -101.54056 5.44618 2.61787 -102.09122 1012.26123
2210.0000 -107.90189 -102.15771 5.74418 2.68580 -101.21903 1037.25044
2215.0000 -108.25072 -103.65671 4.59402 2.57391 -102.65558 956.75325
2220.0000 -108.99240 -103.70865 5.28375 2.46661 -104.03305 879.14559
2225.0000 -109.40064 -103.83924 5.56140 2.51466 -103.41618 932.61247
2230.0000 -108.84767 -102.41506 6.43261 2.55431 -102.90715 944.07579
2235.0000 -108.27824 -102.91395 5.36429 2.55579 -102.88811 983.03267
2240.0000 -110.11588 -104.76717 5.34872 2.48719 -103.76893 929.36535
2245.0000 -107.45187 -101.61138 5.84050 2.50772 -103.50526 902.78917
2250.0000 -107.34402 -101.51532 5.82870 2.70892 -100.92227 1083.59372
FREEZING PROCESS: loop number 10 T-loop= 955.00000000000000
main_MD> interactions number 10 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.55501 5.38840 1.11757
force_rgl> df(natom) -0.40406 0.74175 0.12908
2255.0000 -107.63825 -100.43383 7.20442 2.69860 -101.05479 1073.02554
2260.0000 -107.08664 -101.17483 5.91181 2.71273 -100.87334 1022.67288
2265.0000 -107.16688 -102.23138 4.93550 2.59959 -102.32589 933.38636
2270.0000 -108.29920 -101.57737 6.72182 2.65518 -101.61216 1020.54785
2275.0000 -108.27406 -101.90712 6.36694 2.70707 -100.94603 1050.07480
2280.0000 -107.99619 -101.66912 6.32707 2.62770 -101.96501 991.16937
2285.0000 -108.42826 -101.44739 6.98087 2.58965 -102.45349 957.27546
2290.0000 -107.61726 -100.64825 6.96900 2.73716 -100.55968 1117.01172
2295.0000 -107.46272 -102.03489 5.42783 2.70329 -100.99454 1077.52107
2300.0000 -108.43065 -101.99003 6.44061 2.61047 -102.18612 1038.76254
2305.0000 -108.40860 -102.87153 5.53706 2.59370 -102.40142 1000.18119
2310.0000 -109.91675 -102.79052 7.12623 2.56866 -102.72300 982.18739
2315.0000 -108.16603 -102.47516 5.69087 2.61286 -102.15556 1018.84019
2320.0000 -108.47352 -102.33966 6.13386 2.55115 -102.94777 923.02763
2325.0000 -108.47718 -104.05623 4.42095 2.54578 -103.01668 933.49667
2330.0000 -108.93465 -103.65330 5.28135 2.42543 -104.56178 879.41481
2335.0000 -109.53378 -102.87490 6.65888 2.54390 -103.04082 927.06097
2340.0000 -108.56296 -102.44958 6.11338 2.54356 -103.04522 961.18640
2345.0000 -108.95313 -102.09379 6.85933 2.55558 -102.89093 973.32769
2350.0000 -106.97682 -101.61314 5.36367 2.64034 -101.80268 1009.52162
2355.0000 -107.41189 -102.62821 4.78369 2.64397 -101.75605 1003.35425
2360.0000 -109.07417 -104.02396 5.05021 2.50287 -103.56759 901.13959
2365.0000 -109.61310 -104.16708 5.44602 2.46903 -104.00207 912.71902
2370.0000 -111.05269 -105.13616 5.91653 2.43025 -104.49985 867.59656
2375.0000 -107.15081 -101.45631 5.69449 2.52485 -103.28543 912.52579
2380.0000 -108.70189 -102.92354 5.77834 2.54468 -103.03081 921.64466
2385.0000 -108.92123 -103.40376 5.51747 2.57378 -102.65722 951.67209
2390.0000 -108.90434 -103.52616 5.37818 2.50674 -103.51793 913.98887
2395.0000 -107.61191 -101.95953 5.65238 2.55008 -102.96153 951.59526
2400.0000 -108.35663 -103.19965 5.15698 2.56592 -102.75810 975.65173
2405.0000 -108.17997 -103.40026 4.77971 2.47593 -103.91350 895.33048
2410.0000 -108.43962 -103.15977 5.27985 2.53246 -103.18764 960.57573
2415.0000 -109.31655 -104.49559 4.82096 2.46422 -104.06373 873.99342
2420.0000 -107.28254 -102.70620 4.57634 2.50602 -103.52710 914.52547
2425.0000 -106.55851 -100.68901 5.86950 2.62601 -101.98666 949.40193
2430.0000 -106.59795 -100.67047 5.92748 2.70190 -101.01241 1063.51215
2435.0000 -108.15012 -102.24455 5.90556 2.67366 -101.37497 1030.44240
2440.0000 -108.25542 -102.06199 6.19343 2.57884 -102.59226 924.68100
2445.0000 -109.44589 -103.46626 5.97963 2.52565 -103.27517 937.14293
2450.0000 -109.41449 -103.26855 6.14594 2.56160 -102.81362 941.17829
2455.0000 -107.49972 -101.98127 5.51844 2.54594 -103.01467 927.92259
2460.0000 -107.83339 -102.26807 5.56531 2.63427 -101.88069 1003.97534
2465.0000 -108.58581 -103.10125 5.48457 2.60304 -102.28154 925.28623
2470.0000 -108.18224 -102.71230 5.46994 2.58499 -102.51335 958.75485
2475.0000 -109.13931 -103.82570 5.31361 2.55378 -102.91394 956.98273
2480.0000 -108.26856 -102.04159 6.22697 2.51513 -103.41013 931.92249
2485.0000 -107.27089 -101.23223 6.03866 2.64508 -101.74184 1042.58170
2490.0000 -108.46430 -103.28317 5.18113 2.60790 -102.21919 1017.86406
2495.0000 -108.52562 -103.86112 4.66451 2.49782 -103.63240 918.84540
2500.0000 -109.90365 -104.18487 5.71878 2.46763 -104.02005 882.27671
FREEZING PROCESS: loop number 11 T-loop= 930.00000000000000
main_MD> interactions number 11 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.36188 3.42143 0.71988
force_rgl> df(natom) 2.10248 -1.88923 1.28521
2505.0000 -109.48129 -104.89925 4.58205 2.39942 -104.89575 839.09751
2510.0000 -108.86461 -104.24762 4.61699 2.42638 -104.54954 822.65691
2515.0000 -109.47275 -104.20924 5.26351 2.48390 -103.81110 910.64223
2520.0000 -109.47557 -103.20172 6.27385 2.50269 -103.56987 923.85481
2525.0000 -110.22904 -104.42147 5.80758 2.43670 -104.41713 871.12733
2530.0000 -108.83795 -102.84709 5.99086 2.43836 -104.39581 854.97736
2535.0000 -108.24997 -101.33310 6.91687 2.65290 -101.64150 1031.75236
2540.0000 -109.46404 -104.38353 5.08050 2.51719 -103.38376 882.07081
2545.0000 -110.21186 -104.17787 6.03399 2.43748 -104.40706 870.26681
2550.0000 -109.73985 -103.59368 6.14617 2.46836 -104.01062 920.68446
2555.0000 -109.65010 -104.05220 5.59790 2.50331 -103.56197 893.77108
2560.0000 -109.73944 -104.02714 5.71230 2.46731 -104.02410 879.88056
2565.0000 -109.92442 -105.07747 4.84695 2.46507 -104.05284 858.55233
2570.0000 -108.75675 -104.45752 4.29923 2.39462 -104.95725 850.34551
2575.0000 -110.02582 -104.04474 5.98107 2.44586 -104.29949 865.07758
2580.0000 -108.63985 -102.68740 5.95245 2.50597 -103.52773 944.64034
2585.0000 -108.22481 -103.57061 4.65421 2.45940 -104.12562 904.20794
2590.0000 -110.52917 -105.23661 5.29256 2.44289 -104.33759 848.19945
2595.0000 -110.97438 -105.09277 5.88161 2.40715 -104.79648 854.25214
2600.0000 -109.22675 -104.21204 5.01471 2.44840 -104.26688 890.99904
2605.0000 -108.87159 -104.16165 4.70994 2.50541 -103.53495 918.98054
2610.0000 -109.37346 -104.08998 5.28348 2.51458 -103.41729 940.87123
2615.0000 -109.20721 -105.16911 4.03809 2.43244 -104.47183 831.95474
2620.0000 -109.19133 -103.92024 5.27109 2.45522 -104.17933 874.03778
2625.0000 -110.70892 -104.75355 5.95537 2.45947 -104.12470 881.16928
2630.0000 -108.53335 -103.18993 5.34342 2.46287 -104.08105 866.14771
2635.0000 -109.15448 -103.28854 5.86593 2.48285 -103.82457 900.05962
2640.0000 -109.79550 -104.46369 5.33181 2.46931 -103.99843 891.15913
2645.0000 -108.90241 -103.47741 5.42500 2.52078 -103.33764 946.35349
2650.0000 -108.18408 -103.83223 4.35185 2.45349 -104.20147 857.26692
2655.0000 -109.45189 -104.35262 5.09927 2.46731 -104.02404 893.30610
2660.0000 -107.30940 -102.46753 4.84187 2.50549 -103.53396 925.28729
2665.0000 -107.86182 -103.50337 4.35845 2.52612 -103.26902 896.18378
2670.0000 -109.10843 -103.36774 5.74068 2.50934 -103.48445 918.24539
2675.0000 -109.44287 -103.67215 5.77072 2.52169 -103.32596 951.96996
2680.0000 -109.47234 -103.50865 5.96369 2.46700 -104.02802 873.62978
2685.0000 -110.33817 -103.86064 6.47753 2.55125 -102.94649 949.39976
2690.0000 -108.86136 -103.59107 5.27030 2.47472 -103.92892 889.52060
2695.0000 -109.09437 -103.61348 5.48089 2.44639 -104.29272 883.59652
2700.0000 -109.00306 -102.85039 6.15267 2.45890 -104.13201 904.79589
2705.0000 -108.62282 -103.80949 4.81333 2.51351 -103.43103 929.96833
2710.0000 -107.97218 -102.69737 5.27481 2.57555 -102.63450 921.26454
2715.0000 -109.48624 -103.12144 6.36479 2.60753 -102.22395 1019.98414
2720.0000 -108.71612 -103.02677 5.68935 2.51341 -103.43224 906.07829
2725.0000 -108.00454 -101.80562 6.19892 2.62402 -102.01224 960.85729
2730.0000 -108.21923 -102.88781 5.33142 2.54000 -103.09085 955.85598
2735.0000 -109.16888 -104.10900 5.05988 2.51254 -103.44340 954.70183
2740.0000 -109.23389 -103.60640 5.62749 2.47984 -103.86324 894.17062
2745.0000 -108.61798 -103.76700 4.85098 2.52307 -103.30826 921.05283
2750.0000 -108.46306 -102.63035 5.83271 2.51654 -103.39207 900.61957
FREEZING PROCESS: loop number 12 T-loop= 905.00000000000000
main_MD> interactions number 12 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.39449 0.53726 -0.38665
force_rgl> df(natom) -2.52783 0.41096 2.47228
2755.0000 -109.92272 -103.89095 6.03177 2.49711 -103.64154 945.76961
2760.0000 -108.99247 -103.41050 5.58197 2.47216 -103.96188 906.59035
2765.0000 -107.92257 -102.04346 5.87911 2.61352 -102.14699 959.59678
2770.0000 -109.31560 -103.02827 6.28734 2.54366 -103.04387 922.44136
2775.0000 -109.38401 -104.57269 4.81132 2.49500 -103.66862 880.23007
2780.0000 -110.17586 -104.55817 5.61769 2.45543 -104.17667 893.99942
2785.0000 -109.32655 -103.90532 5.42123 2.49393 -103.68240 935.38575
2790.0000 -109.90176 -104.59246 5.30930 2.48802 -103.75819 886.65226
2795.0000 -110.48355 -104.60128 5.88227 2.43275 -104.46773 840.80856
2800.0000 -109.25852 -102.75756 6.50096 2.47902 -103.87382 914.98025
2805.0000 -110.52437 -105.40622 5.11816 2.51456 -103.41744 953.21755
2810.0000 -110.09733 -105.57312 4.52421 2.35564 -105.45770 789.67023
2815.0000 -109.07493 -103.61933 5.45560 2.39791 -104.91508 865.56800
2820.0000 -110.02908 -104.53695 5.49213 2.47605 -103.91187 903.45260
2825.0000 -108.44827 -103.86958 4.57869 2.47804 -103.88639 905.37185
2830.0000 -109.54850 -103.87770 5.67080 2.48657 -103.77679 929.46222
2835.0000 -108.43843 -103.35921 5.07922 2.51483 -103.41406 922.24799
2840.0000 -109.58095 -103.89323 5.68772 2.50972 -103.47965 933.54391
2845.0000 -109.08834 -104.38377 4.70457 2.46009 -104.11676 866.50691
2850.0000 -108.96684 -102.62592 6.34092 2.46516 -104.05172 881.64802
2855.0000 -109.13025 -103.49624 5.63401 2.52304 -103.30869 938.13603
2860.0000 -109.86504 -104.84561 5.01943 2.45175 -104.22385 851.37125
2865.0000 -109.28448 -103.57005 5.71444 2.46711 -104.02667 942.36662
2870.0000 -109.51929 -103.87633 5.64296 2.46189 -104.09373 923.37223
2875.0000 -109.86787 -104.19396 5.67391 2.42963 -104.50780 890.26801
2880.0000 -109.13739 -103.41799 5.71940 2.49293 -103.69522 865.63787
2885.0000 -109.27088 -103.84855 5.42233 2.46065 -104.10957 917.32336
2890.0000 -108.87695 -103.34856 5.52839 2.53527 -103.15161 955.60117
2895.0000 -109.09965 -103.11623 5.98342 2.53020 -103.21676 930.51711
2900.0000 -108.40373 -104.20950 4.19423 2.46384 -104.06860 867.26259
2905.0000 -108.75214 -103.01578 5.73635 2.45743 -104.15098 882.35653
2910.0000 -108.51617 -103.39792 5.11825 2.51771 -103.37709 941.54002
2915.0000 -108.96615 -103.92043 5.04573 2.43477 -104.44188 820.06882
2920.0000 -109.98866 -104.62075 5.36791 2.39169 -104.99497 828.09890
2925.0000 -109.20255 -103.38612 5.81643 2.42688 -104.54320 829.69705
2930.0000 -109.56319 -104.28758 5.27561 2.44587 -104.29931 882.79691
2935.0000 -108.88218 -104.66019 4.22199 2.53101 -103.20637 951.44738
2940.0000 -109.32532 -104.19344 5.13188 2.39636 -104.93499 818.49825
2945.0000 -109.25167 -103.84459 5.40707 2.45127 -104.23002 866.29943
2950.0000 -108.64313 -103.30700 5.33614 2.51631 -103.39509 917.30092
2955.0000 -108.89612 -104.39636 4.49975 2.49077 -103.72288 906.90438
2960.0000 -108.06798 -103.64025 4.42773 2.46547 -104.04772 864.91433
2965.0000 -109.80005 -104.30879 5.49126 2.47176 -103.96696 839.00324
2970.0000 -110.95187 -105.60524 5.34662 2.39998 -104.88846 814.25555
2975.0000 -109.16196 -103.61583 5.54613 2.35417 -105.47666 767.49375
2980.0000 -110.24283 -104.93776 5.30507 2.46624 -104.03782 834.07824
2985.0000 -110.47647 -105.09866 5.37781 2.42768 -104.53284 864.63763
2990.0000 -110.20516 -104.90619 5.29897 2.40707 -104.79745 848.25765
2995.0000 -110.96630 -105.26022 5.70608 2.38176 -105.12246 828.95971
3000.0000 -109.49429 -105.44190 4.05239 2.39140 -104.99859 866.23353
FREEZING PROCESS: loop number 13 T-loop= 880.00000000000000
main_MD> interactions number 13 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40781 1.58360 -1.32112
force_rgl> df(natom) -2.14383 -0.29474 0.21146
3005.0000 -110.02518 -104.69264 5.33254 2.39928 -104.89752 809.59430
3010.0000 -108.45975 -102.75514 5.70461 2.45979 -104.12063 858.78605
3015.0000 -109.14896 -102.96319 6.18576 2.56447 -102.77670 932.40749
3020.0000 -108.31396 -101.88064 6.43332 2.58168 -102.55585 950.84241
3025.0000 -109.28356 -104.04144 5.24212 2.57024 -102.70267 946.33149
3030.0000 -110.34007 -104.11639 6.22368 2.49243 -103.70166 890.44889
3035.0000 -109.81376 -105.27796 4.53580 2.41746 -104.66414 834.48211
3040.0000 -109.66668 -104.90785 4.75883 2.39004 -105.01613 817.45842
3045.0000 -108.87907 -104.81750 4.06157 2.40328 -104.84615 799.40843
3050.0000 -109.74244 -104.96725 4.77518 2.47974 -103.86456 895.05881
3055.0000 -109.48334 -104.82276 4.66058 2.39779 -104.91666 809.55885
3060.0000 -109.30998 -103.83473 5.47525 2.51379 -103.42743 947.67157
3065.0000 -109.15684 -104.37410 4.78275 2.45388 -104.19652 858.99657
3070.0000 -109.89044 -105.43921 4.45123 2.40665 -104.80291 819.39606
3075.0000 -110.24773 -105.08557 5.16216 2.37534 -105.20479 813.77815
3080.0000 -109.35297 -104.84467 4.50829 2.40266 -104.85413 828.12101
3085.0000 -108.77392 -103.35878 5.41514 2.48804 -103.75793 871.71703
3090.0000 -109.23771 -103.67657 5.56114 2.51393 -103.42553 917.73507
3095.0000 -109.08140 -103.18515 5.89625 2.46121 -104.10238 864.95599
3100.0000 -108.85037 -103.82368 5.02669 2.41123 -104.74403 825.21208
3105.0000 -109.92289 -104.96269 4.96020 2.39024 -105.01358 810.81434
3110.0000 -109.68707 -103.34570 6.34137 2.44395 -104.32399 906.19572
3115.0000 -109.25344 -104.56293 4.69051 2.48958 -103.73824 895.51406
3120.0000 -109.72125 -104.61411 5.10714 2.43471 -104.44269 854.41063
3125.0000 -109.72055 -104.58619 5.13437 2.42615 -104.55250 868.34250
3130.0000 -108.88003 -102.89215 5.98789 2.44880 -104.26174 833.61960
3135.0000 -107.48802 -101.93371 5.55431 2.62491 -102.00081 989.01857
3140.0000 -109.05706 -104.11650 4.94057 2.53947 -103.09771 951.55671
3145.0000 -110.35922 -104.29638 6.06283 2.49377 -103.68439 912.36289
3150.0000 -109.23069 -104.42348 4.80721 2.41000 -104.75987 864.81132
3155.0000 -109.09246 -104.77552 4.31694 2.45992 -104.11900 869.59252
3160.0000 -109.89707 -105.22584 4.67122 2.38817 -105.04017 818.61385
3165.0000 -108.58110 -104.80879 3.77231 2.36446 -105.34446 813.20893
3170.0000 -108.33922 -102.57746 5.76176 2.53412 -103.16638 878.69588
3175.0000 -110.29422 -104.75870 5.53552 2.47818 -103.88455 866.86000
3180.0000 -109.81738 -105.34861 4.46876 2.43740 -104.40812 898.80461
3185.0000 -109.96466 -103.82125 6.14341 2.43383 -104.45387 851.61833
3190.0000 -108.10164 -103.10525 4.99638 2.55272 -102.92755 958.40656
3195.0000 -108.33238 -102.91906 5.41332 2.53721 -103.12675 916.45390
3200.0000 -108.15812 -102.08530 6.07282 2.57934 -102.58583 954.23949
3205.0000 -109.55661 -104.24204 5.31457 2.54930 -102.97145 986.82457
3210.0000 -110.29899 -104.65359 5.64539 2.39410 -104.96401 826.97602
3215.0000 -108.08845 -102.92779 5.16066 2.48398 -103.81011 899.49980
3220.0000 -108.22912 -101.92178 6.30734 2.57656 -102.62154 966.81690
3225.0000 -110.01927 -103.51450 6.50477 2.61862 -102.08156 991.29288
3230.0000 -108.54871 -104.25843 4.29028 2.49721 -103.64028 900.08360
3235.0000 -110.03074 -105.38100 4.64974 2.39212 -104.98941 829.79822
3240.0000 -110.13439 -105.35406 4.78033 2.31578 -105.96951 760.99435
3245.0000 -110.58383 -106.70435 3.87948 2.31707 -105.95296 748.12418
3250.0000 -110.10262 -105.43226 4.67035 2.29731 -106.20659 762.53513
FREEZING PROCESS: loop number 14 T-loop= 855.00000000000000
main_MD> interactions number 14 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.26221 -3.03267 -0.16122
force_rgl> df(natom) 1.52780 -0.44185 3.45064
3255.0000 -110.36173 -105.36127 5.00046 2.34198 -105.63315 800.58108
3260.0000 -109.77481 -105.33668 4.43813 2.36604 -105.32423 830.57389
3265.0000 -108.01111 -103.61530 4.39581 2.44996 -104.24684 890.22563
3270.0000 -107.63326 -101.94192 5.69134 2.51465 -103.41634 912.65661
3275.0000 -108.28514 -102.79743 5.48771 2.58572 -102.50397 938.93687
3280.0000 -108.62915 -103.72615 4.90300 2.56283 -102.79782 953.84414
3285.0000 -109.19305 -103.64435 5.54870 2.46486 -104.05561 871.66062
3290.0000 -109.56452 -105.03427 4.53025 2.43312 -104.46309 843.22054
3295.0000 -109.18905 -104.03089 5.15816 2.38393 -105.09449 815.82645
3300.0000 -109.38874 -103.88668 5.50205 2.44966 -104.25063 865.10201
3305.0000 -108.87936 -105.60121 3.27815 2.40700 -104.79835 842.38401
3310.0000 -110.17240 -105.49713 4.67527 2.29645 -106.21768 733.53426
3315.0000 -110.11026 -105.63634 4.47392 2.36705 -105.31125 787.85117
3320.0000 -109.65036 -104.96644 4.68392 2.35782 -105.42975 818.67372
3325.0000 -109.85372 -104.64412 5.20960 2.38382 -105.09590 809.27776
3330.0000 -110.54871 -105.58541 4.96330 2.35876 -105.41770 769.49780
3335.0000 -108.84489 -103.98488 4.86002 2.38319 -105.10405 835.11555
3340.0000 -108.65424 -103.81371 4.84053 2.44782 -104.27436 866.42376
3345.0000 -110.80885 -104.56621 6.24264 2.45797 -104.14396 904.68381
3350.0000 -110.71223 -106.12135 4.59088 2.34042 -105.65313 822.61769
3355.0000 -109.31370 -104.19628 5.11742 2.36991 -105.27454 830.16828
3360.0000 -110.72006 -105.31466 5.40540 2.45952 -104.12412 894.26790
3365.0000 -108.98653 -104.40839 4.57814 2.37190 -105.24898 811.02884
3370.0000 -109.05471 -105.29610 3.75861 2.48500 -103.79702 888.18544
3375.0000 -109.10817 -104.41433 4.69384 2.42626 -104.55105 786.99356
3380.0000 -109.66985 -103.66737 6.00248 2.51511 -103.41049 903.89778
3385.0000 -110.33477 -103.93489 6.39988 2.49569 -103.65970 907.29125
3390.0000 -108.28407 -102.55870 5.72537 2.48670 -103.77512 874.43953
3395.0000 -109.16910 -103.41427 5.75483 2.56903 -102.71815 979.76500
3400.0000 -109.92737 -105.32959 4.59778 2.39631 -104.93557 836.77199
3405.0000 -108.45067 -103.73033 4.72034 2.46630 -104.03702 890.65327
3410.0000 -109.16509 -104.58357 4.58153 2.49101 -103.71984 887.69904
3415.0000 -110.32424 -105.93944 4.38480 2.36931 -105.28230 813.57678
3420.0000 -109.45996 -104.81501 4.64495 2.35682 -105.44261 803.68401
3425.0000 -109.19207 -105.30657 3.88550 2.39107 -105.00284 847.50911
3430.0000 -109.64777 -104.39468 5.25309 2.36113 -105.38731 790.51871
3435.0000 -109.85765 -105.35300 4.50465 2.29452 -106.24247 734.38069
3440.0000 -109.80302 -104.58246 5.22055 2.35831 -105.42344 782.84542
3445.0000 -108.85464 -104.41184 4.44280 2.39847 -104.90793 805.56833
3450.0000 -108.70743 -104.07219 4.63525 2.46472 -104.05736 907.99667
3455.0000 -109.75331 -104.78195 4.97136 2.42656 -104.54724 846.71778
3460.0000 -110.64427 -105.76962 4.87465 2.36706 -105.31118 823.43708
3465.0000 -111.36620 -105.00209 6.36411 2.33103 -105.77370 779.54736
3470.0000 -109.88095 -105.28616 4.59479 2.38235 -105.11490 826.62108
3475.0000 -109.47070 -104.34681 5.12389 2.42670 -104.54550 819.95604
3480.0000 -108.34366 -103.72211 4.62155 2.52302 -103.30887 958.49985
3485.0000 -110.18889 -105.09391 5.09498 2.41753 -104.66315 857.17562
3490.0000 -110.08250 -105.25328 4.82922 2.37458 -105.21464 815.05777
3495.0000 -108.75191 -103.36995 5.38197 2.42429 -104.57643 812.37671
3500.0000 -110.64918 -105.80210 4.84708 2.40699 -104.79851 829.70131
FREEZING PROCESS: loop number 15 T-loop= 830.00000000000000
main_MD> interactions number 15 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.85028 1.65792 -1.77192
force_rgl> df(natom) -1.18792 -0.86510 -1.19709
3505.0000 -111.10732 -107.15807 3.94925 2.25105 -106.80048 718.87024
3510.0000 -111.26738 -107.02583 4.24156 2.21723 -107.23470 712.46554
3515.0000 -109.58111 -103.97555 5.60556 2.34895 -105.54369 832.75465
3520.0000 -109.76791 -104.62112 5.14679 2.45190 -104.22190 877.65890
3525.0000 -110.44256 -105.53462 4.90794 2.37460 -105.21435 807.96345
3530.0000 -110.25365 -104.03473 6.21892 2.45696 -104.15703 927.95703
3535.0000 -109.68018 -104.98018 4.70000 2.44709 -104.28364 869.53625
3540.0000 -108.91399 -104.51901 4.39498 2.35887 -105.41623 786.00267
3545.0000 -108.92997 -103.96703 4.96294 2.47211 -103.96243 891.92427
3550.0000 -109.21134 -104.29697 4.91436 2.42427 -104.57664 839.20810
3555.0000 -110.38141 -106.20045 4.18096 2.36364 -105.35500 826.48837
3560.0000 -111.46508 -106.57052 4.89456 2.27102 -106.54407 770.22949
3565.0000 -109.82773 -105.30151 4.52622 2.25814 -106.70944 738.09551
3570.0000 -109.98474 -104.56596 5.41878 2.35042 -105.52478 798.52561
3575.0000 -109.76845 -105.03782 4.73063 2.37286 -105.23668 826.62237
3580.0000 -110.35179 -106.22521 4.12658 2.36403 -105.35004 788.82077
3585.0000 -110.23131 -105.12750 5.10382 2.32709 -105.82430 791.66401
3590.0000 -109.73795 -105.29913 4.43882 2.40322 -104.84694 844.04380
3595.0000 -109.94771 -104.59225 5.35546 2.47088 -103.97830 899.82015
3600.0000 -110.69081 -105.25446 5.43635 2.31722 -105.95099 773.06849
3605.0000 -109.65088 -105.12857 4.52231 2.37624 -105.19327 857.31805
3610.0000 -110.08328 -105.05677 5.02652 2.37725 -105.18029 829.82570
3615.0000 -110.94834 -105.53936 5.40898 2.35074 -105.52063 803.57726
3620.0000 -111.00799 -105.03092 5.97706 2.37518 -105.20690 852.41313
3625.0000 -110.17446 -104.06889 6.10558 2.37914 -105.15609 822.76812
3630.0000 -109.55589 -104.26153 5.29436 2.46110 -104.10379 879.50275
3635.0000 -110.21064 -105.78844 4.42220 2.43981 -104.37719 872.60402
3640.0000 -109.50016 -105.63927 3.86088 2.31059 -106.03606 743.34837
3645.0000 -110.26165 -105.40511 4.85654 2.32282 -105.87916 733.71560
3650.0000 -110.86930 -106.72688 4.14243 2.32447 -105.85786 787.25614
3655.0000 -111.05418 -106.71146 4.34272 2.24850 -106.83329 718.76176
3660.0000 -110.94443 -105.51908 5.42535 2.28979 -106.30310 750.69317
3665.0000 -110.18480 -104.94204 5.24276 2.39418 -104.96295 881.78368
3670.0000 -110.87178 -105.17401 5.69776 2.38204 -105.11880 813.26712
3675.0000 -110.82799 -106.09583 4.73217 2.34553 -105.58752 784.02444
3680.0000 -111.66991 -107.11922 4.55069 2.28373 -106.38097 737.10060
3685.0000 -111.47307 -107.33590 4.13717 2.24419 -106.88855 717.48560
3690.0000 -110.32331 -105.45313 4.87018 2.29528 -106.23263 732.93139
3695.0000 -110.36490 -105.78629 4.57861 2.33450 -105.72909 780.23522
3700.0000 -110.25735 -106.09631 4.16104 2.25890 -106.69967 730.29289
3705.0000 -109.67663 -105.44169 4.23494 2.36877 -105.28924 773.07638
3710.0000 -110.62917 -105.85983 4.76934 2.36075 -105.39216 788.82622
3715.0000 -110.16649 -104.82944 5.33706 2.36058 -105.39431 796.21190
3720.0000 -109.40736 -103.92806 5.47929 2.45869 -104.13481 889.69531
3725.0000 -110.07373 -104.40996 5.66377 2.47557 -103.91804 910.59949
3730.0000 -108.50465 -104.03637 4.46828 2.48104 -103.84785 899.18640
3735.0000 -109.48717 -103.64997 5.83720 2.50186 -103.58051 897.98349
3740.0000 -110.93879 -104.76473 6.17406 2.41202 -104.73396 837.15794
3745.0000 -111.42499 -106.62718 4.79781 2.34883 -105.54513 796.35273
3750.0000 -109.78757 -106.08536 3.70221 2.27800 -106.45456 774.19645
FREEZING PROCESS: loop number 16 T-loop= 805.00000000000000
main_MD> interactions number 16 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.53210 -2.21469 -0.10036
force_rgl> df(natom) -0.75170 0.04398 4.27697
3755.0000 -109.77995 -105.41887 4.36108 2.32753 -105.81858 739.88219
3760.0000 -110.19264 -105.04537 5.14727 2.37929 -105.15408 793.83842
3765.0000 -109.39294 -104.74174 4.65120 2.38201 -105.11919 801.22655
3770.0000 -110.19980 -105.35432 4.84548 2.41463 -104.70040 856.92381
3775.0000 -109.55542 -104.51378 5.04164 2.38915 -105.02752 803.00839
3780.0000 -110.36468 -106.02317 4.34151 2.38977 -105.01953 809.77338
3785.0000 -110.67230 -105.68364 4.98866 2.32235 -105.88517 776.71246
3790.0000 -108.92205 -104.46336 4.45869 2.44431 -104.31941 841.84018
3795.0000 -109.57751 -103.98029 5.59722 2.47698 -103.90000 884.20262
3800.0000 -110.68289 -105.53945 5.14343 2.39381 -104.96771 826.87523
3805.0000 -110.98988 -106.38784 4.60203 2.26877 -106.57303 725.32203
3810.0000 -110.26201 -105.04861 5.21340 2.35166 -105.50886 797.26127
3815.0000 -109.57244 -104.44278 5.12966 2.38205 -105.11864 820.11912
3820.0000 -110.31120 -105.42253 4.88867 2.38702 -105.05488 811.18227
3825.0000 -110.49221 -105.18069 5.31152 2.35742 -105.43496 785.40350
3830.0000 -109.09243 -104.40049 4.69194 2.39303 -104.97768 824.16077
3835.0000 -108.65155 -103.71857 4.93298 2.43730 -104.40940 846.41654
3840.0000 -110.80109 -106.37149 4.42960 2.35909 -105.41347 811.53930
3845.0000 -110.67917 -107.03955 3.63962 2.27662 -106.47218 764.24959
3850.0000 -111.33076 -106.47559 4.85517 2.29808 -106.19666 775.99641
3855.0000 -109.11227 -103.79217 5.32010 2.35016 -105.52809 795.99347
3860.0000 -110.08516 -104.81568 5.26948 2.48161 -103.84057 889.93656
3865.0000 -108.82042 -104.96206 3.85836 2.43146 -104.48432 839.90890
3870.0000 -110.56232 -105.18819 5.37413 2.41165 -104.73867 876.82745
3875.0000 -110.54202 -104.70919 5.83284 2.40361 -104.84196 850.71995
3880.0000 -110.04495 -104.94017 5.10478 2.42135 -104.61415 845.93053
3885.0000 -110.49678 -106.72338 3.77340 2.26623 -106.60561 713.55175
3890.0000 -110.54213 -106.90502 3.63711 2.21438 -107.27121 669.15306
3895.0000 -109.67723 -105.18558 4.49165 2.33883 -105.67351 795.31666
3900.0000 -109.08970 -103.79479 5.29491 2.36134 -105.38455 831.69627
3905.0000 -109.74272 -105.06718 4.67554 2.46373 -104.07006 890.01325
3910.0000 -108.52576 -103.43889 5.08687 2.43681 -104.41565 848.49681
3915.0000 -110.57181 -106.06665 4.50515 2.44382 -104.32573 867.13693
3920.0000 -109.94790 -104.82511 5.12279 2.35071 -105.52105 785.49321
3925.0000 -110.26876 -105.98680 4.28196 2.37931 -105.15393 822.44417
3930.0000 -109.94472 -105.85042 4.09430 2.34169 -105.63678 801.09496
3935.0000 -110.37589 -105.70277 4.67312 2.35117 -105.51519 767.09308
3940.0000 -110.84198 -105.45099 5.39099 2.34672 -105.57232 807.06301
3945.0000 -109.99550 -105.04053 4.95497 2.36469 -105.34157 821.54767
3950.0000 -110.47343 -105.24027 5.23316 2.35450 -105.47238 794.79469
3955.0000 -110.04111 -105.67116 4.36995 2.34015 -105.65665 762.62591
3960.0000 -109.39896 -104.01542 5.38354 2.44324 -104.33312 844.23967
3965.0000 -110.99960 -105.85816 5.14144 2.36260 -105.36834 811.54427
3970.0000 -111.31182 -106.51405 4.79777 2.28516 -106.36254 760.31171
3975.0000 -110.54050 -105.96633 4.57418 2.30921 -106.05387 773.33247
3980.0000 -108.30856 -103.75655 4.55201 2.38441 -105.08844 798.81132
3985.0000 -109.83200 -105.40140 4.43060 2.42377 -104.58302 862.77488
3990.0000 -109.44074 -104.35349 5.08726 2.43144 -104.48467 806.89749
3995.0000 -109.62956 -104.97936 4.65020 2.43904 -104.38698 862.29326
4000.0000 -110.89790 -106.36819 4.52971 2.39210 -104.98960 847.01502
FREEZING PROCESS: loop number 17 T-loop= 780.00000000000000
main_MD> interactions number 17 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05311 -0.65314 0.47736
force_rgl> df(natom) 0.64032 -0.20356 -3.50678
4005.0000 -110.65611 -105.51180 5.14431 2.34379 -105.60992 824.40751
4010.0000 -111.38250 -106.37505 5.00745 2.35988 -105.40330 824.31358
4015.0000 -110.88582 -106.46921 4.41661 2.31312 -106.00366 783.36347
4020.0000 -110.33520 -106.45171 3.88349 2.30453 -106.11397 738.44968
4025.0000 -111.13458 -107.80644 3.32814 2.25080 -106.80372 705.17038
4030.0000 -111.66516 -108.06721 3.59796 2.15077 -108.08791 637.78063
4035.0000 -111.38422 -106.15586 5.22835 2.19941 -107.46340 687.62137
4040.0000 -111.62250 -105.99179 5.63071 2.31364 -105.99693 759.86322
4045.0000 -110.12701 -104.90420 5.22280 2.37661 -105.18856 816.41598
4050.0000 -110.09568 -105.51151 4.58417 2.33026 -105.78364 781.86113
4055.0000 -109.39376 -104.13598 5.25778 2.40927 -104.76929 816.60044
4060.0000 -108.97814 -104.37591 4.60223 2.49266 -103.69866 879.45478
4065.0000 -110.70108 -105.81275 4.88833 2.38345 -105.10077 822.66157
4070.0000 -109.36929 -104.58580 4.78349 2.34603 -105.58109 787.12130
4075.0000 -110.22337 -105.81487 4.40850 2.36195 -105.37673 823.09743
4080.0000 -110.71698 -106.65613 4.06085 2.25255 -106.78118 715.53432
4085.0000 -110.83045 -106.38737 4.44307 2.23287 -107.03395 699.25258
4090.0000 -109.36529 -103.90379 5.46151 2.40629 -104.80755 850.90692
4095.0000 -109.68826 -104.92563 4.76262 2.41977 -104.63445 823.25501
4100.0000 -108.34977 -103.79138 4.55839 2.41937 -104.63953 838.16788
4105.0000 -109.36845 -104.60813 4.76032 2.42070 -104.62244 806.54068
4110.0000 -110.28471 -105.48088 4.80383 2.40306 -104.84895 831.85028
4115.0000 -109.96304 -105.03120 4.93184 2.33753 -105.69018 792.74814
4120.0000 -109.36567 -103.92523 5.44044 2.41160 -104.73926 871.39041
4125.0000 -111.03036 -105.76252 5.26785 2.36477 -105.34052 818.04297
4130.0000 -110.87214 -106.04082 4.83132 2.31165 -106.02250 801.55221
4135.0000 -111.17614 -105.50365 5.67249 2.33513 -105.72107 794.94735
4140.0000 -109.49970 -104.76142 4.73828 2.37899 -105.15804 826.22775
4145.0000 -111.00444 -106.58351 4.42092 2.39603 -104.93919 855.60114
4150.0000 -111.19469 -106.42499 4.76969 2.26105 -106.67210 731.04939
4155.0000 -111.59559 -107.11295 4.48263 2.27333 -106.51442 766.34898
4160.0000 -110.57821 -106.62350 3.95470 2.22216 -107.17135 718.59997
4165.0000 -109.43778 -105.05825 4.37953 2.32850 -105.80620 800.97934
4170.0000 -109.55415 -105.29815 4.25599 2.37972 -105.14862 816.02790
4175.0000 -110.86484 -106.19141 4.67343 2.32033 -105.91108 775.57799
4180.0000 -110.54612 -105.94742 4.59870 2.33145 -105.76825 787.84589
4185.0000 -110.67683 -106.55978 4.11705 2.24627 -106.86181 715.48751
4190.0000 -109.79651 -104.42895 5.36756 2.31033 -106.03938 753.98300
4195.0000 -109.71725 -105.06848 4.64877 2.40734 -104.79404 858.92749
4200.0000 -110.26587 -105.84470 4.42118 2.34373 -105.61065 775.33265
4205.0000 -111.58763 -107.35112 4.23651 2.26538 -106.61657 763.76987
4210.0000 -111.74772 -107.21499 4.53273 2.27519 -106.49056 746.66499
4215.0000 -110.92876 -106.64608 4.28268 2.24167 -106.92086 697.13870
4220.0000 -110.41675 -106.01773 4.39903 2.31816 -105.93895 770.67615
4225.0000 -111.04759 -105.49414 5.55345 2.30298 -106.13378 777.55972
4230.0000 -110.00880 -104.46959 5.53921 2.36890 -105.28752 811.31196
4235.0000 -108.72691 -104.51075 4.21616 2.43658 -104.41863 858.69269
4240.0000 -109.10033 -105.30634 3.79399 2.40243 -104.85700 786.40814
4245.0000 -110.37535 -105.45030 4.92505 2.41202 -104.73389 843.41614
4250.0000 -111.25241 -106.99240 4.26001 2.28366 -106.38181 743.70172
FREEZING PROCESS: loop number 18 T-loop= 755.00000000000000
main_MD> interactions number 18 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30504 -0.39316 -1.11300
force_rgl> df(natom) 1.92990 0.11177 2.33359
4255.0000 -109.94486 -105.34986 4.59500 2.33565 -105.71442 789.91061
4260.0000 -110.36878 -105.27470 5.09408 2.37036 -105.26880 806.73880
4265.0000 -110.95216 -106.20853 4.74364 2.32699 -105.82551 766.19479
4270.0000 -110.99703 -105.37823 5.61880 2.32316 -105.87472 755.90622
4275.0000 -110.61093 -105.74917 4.86176 2.33693 -105.69797 830.66891
4280.0000 -110.75458 -105.29990 5.45468 2.37439 -105.21699 853.88521
4285.0000 -109.78019 -104.83619 4.94400 2.39658 -104.93220 839.35247
4290.0000 -109.33915 -104.86951 4.46965 2.40435 -104.83240 798.85376
4295.0000 -111.63822 -106.61966 5.01857 2.35424 -105.47566 805.19887
4300.0000 -110.05563 -105.87765 4.17798 2.32086 -105.90428 777.03597
4305.0000 -111.13480 -106.48196 4.65285 2.31057 -106.03642 755.66196
4310.0000 -110.50788 -106.47734 4.03054 2.29039 -106.29548 756.69896
4315.0000 -111.24774 -107.39171 3.85603 2.26402 -106.63398 751.67238
4320.0000 -110.23146 -103.85610 6.37536 2.32605 -105.83767 807.42797
4325.0000 -110.75113 -105.81280 4.93833 2.35162 -105.50940 845.19037
4330.0000 -110.99571 -106.93820 4.05751 2.30077 -106.16222 748.64453
4335.0000 -110.48371 -107.02735 3.45637 2.25759 -106.71648 731.55082
4340.0000 -110.19229 -105.51630 4.67599 2.29603 -106.22297 753.58504
4345.0000 -109.82251 -105.39449 4.42802 2.31928 -105.92453 754.70206
4350.0000 -109.78440 -105.92926 3.85514 2.34032 -105.65446 743.34985
4355.0000 -109.69321 -105.67769 4.01552 2.35686 -105.44206 768.86668
4360.0000 -110.64867 -106.38762 4.26105 2.33302 -105.74809 800.97697
4365.0000 -111.28340 -106.86240 4.42100 2.27499 -106.49309 755.34797
4370.0000 -111.59522 -106.60967 4.98555 2.28520 -106.36214 772.37748
4375.0000 -110.79033 -107.42743 3.36290 2.22184 -107.17556 694.94046
4380.0000 -110.69594 -106.28493 4.41101 2.23206 -107.04435 685.41076
4385.0000 -110.02206 -105.98127 4.04079 2.33242 -105.75582 745.58386
4390.0000 -111.59552 -107.44199 4.15353 2.17962 -107.71753 666.23922
4395.0000 -110.60141 -106.18323 4.41818 2.24520 -106.87561 720.21764
4400.0000 -110.88248 -105.69480 5.18767 2.31166 -106.02235 771.10126
4405.0000 -109.58309 -104.68063 4.90246 2.36651 -105.31819 795.15383
4410.0000 -109.78423 -105.38042 4.40381 2.38317 -105.10430 829.02050
4415.0000 -111.53354 -106.41487 5.11867 2.33990 -105.65977 748.95223
4420.0000 -111.69809 -107.59561 4.10248 2.21658 -107.24308 699.72743
4425.0000 -111.23445 -106.26710 4.96735 2.22292 -107.16162 694.08616
4430.0000 -111.41911 -107.07527 4.34384 2.31495 -105.98013 774.13114
4435.0000 -112.21383 -108.18147 4.03236 2.19635 -107.50277 667.58777
4440.0000 -110.92100 -105.50663 5.41437 2.22599 -107.12228 685.31845
4445.0000 -110.11723 -105.97502 4.14221 2.32237 -105.88493 806.96008
4450.0000 -110.68963 -106.87330 3.81633 2.32796 -105.81305 765.78226
4455.0000 -110.35223 -105.03678 5.31545 2.33551 -105.71623 796.50708
4460.0000 -111.49060 -106.85234 4.63826 2.31537 -105.97474 784.87755
4465.0000 -110.24360 -105.38067 4.86293 2.31670 -105.95771 769.28292
4470.0000 -111.55170 -107.36342 4.18828 2.32044 -105.90971 786.03956
4475.0000 -110.70718 -106.24579 4.46139 2.26104 -106.67227 759.78136
4480.0000 -110.38311 -106.01176 4.37134 2.30040 -106.16696 771.47395
4485.0000 -110.39165 -105.99134 4.40032 2.30717 -106.08003 769.86347
4490.0000 -110.46333 -105.54332 4.92001 2.32277 -105.87968 787.82682
4495.0000 -111.39247 -106.99616 4.39631 2.32626 -105.83488 786.19497
4500.0000 -110.67731 -105.45669 5.22062 2.27249 -106.52524 752.09866
FREEZING PROCESS: loop number 19 T-loop= 730.00000000000000
main_MD> interactions number 19 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.08059 1.48272 -1.49105
force_rgl> df(natom) 2.34301 1.07687 2.63141
4505.0000 -111.34273 -107.40885 3.93388 2.25875 -106.70158 750.90323
4510.0000 -111.18115 -107.43215 3.74899 2.22781 -107.09892 708.21039
4515.0000 -110.81066 -106.90883 3.90183 2.20896 -107.34092 698.06529
4520.0000 -110.83426 -105.87232 4.96193 2.27910 -106.44034 746.07300
4525.0000 -111.25469 -106.46881 4.78588 2.26336 -106.64247 727.10328
4530.0000 -110.89394 -106.42378 4.47017 2.25515 -106.74783 723.90853
4535.0000 -110.70113 -106.71135 3.98978 2.24827 -106.83619 719.95030
4540.0000 -111.49829 -107.10667 4.39162 2.22624 -107.11903 713.03720
4545.0000 -111.22257 -106.89033 4.33224 2.20201 -107.43006 710.73771
4550.0000 -111.38746 -107.57161 3.81585 2.23869 -106.95913 706.99983
4555.0000 -111.20881 -106.29455 4.91427 2.26748 -106.58961 727.84066
4560.0000 -110.20977 -106.40551 3.80426 2.25907 -106.69747 716.49541
4565.0000 -110.87436 -106.32957 4.54479 2.28934 -106.30898 695.22923
4570.0000 -110.85955 -106.54086 4.31868 2.26276 -106.65015 699.35716
4575.0000 -110.05566 -105.52227 4.53339 2.34012 -105.65700 783.18645
4580.0000 -109.71390 -105.79957 3.91433 2.33422 -105.73280 804.21301
4585.0000 -110.46621 -106.86492 3.60129 2.25476 -106.75289 719.85977
4590.0000 -111.40877 -105.91176 5.49701 2.29003 -106.30000 726.21694
4595.0000 -110.80581 -106.36752 4.43829 2.32861 -105.80474 798.58268
4600.0000 -110.15783 -105.54200 4.61583 2.33445 -105.72979 804.71512
4605.0000 -111.37824 -107.91230 3.46594 2.26391 -106.63535 737.06210
4610.0000 -111.95238 -108.33283 3.61954 2.20329 -107.41369 642.44670
4615.0000 -110.86694 -107.01879 3.84815 2.18607 -107.63468 683.21400
4620.0000 -110.87458 -106.01586 4.85872 2.22567 -107.12639 703.06320
4625.0000 -110.50307 -106.31040 4.19267 2.32339 -105.87176 770.63699
4630.0000 -110.71782 -106.85875 3.85907 2.27658 -106.47272 733.56582
4635.0000 -110.56612 -106.31352 4.25260 2.29993 -106.17300 726.00975
4640.0000 -110.68184 -107.16443 3.51741 2.24142 -106.92407 698.32729
4645.0000 -111.43052 -107.72587 3.70466 2.20333 -107.41319 699.17542
4650.0000 -112.04070 -107.97886 4.06184 2.15684 -108.00999 667.47060
4655.0000 -110.67684 -107.31095 3.36589 2.16005 -107.96877 629.97305
4660.0000 -111.00119 -106.43930 4.56188 2.23166 -107.04948 715.51316
4665.0000 -111.18879 -106.82577 4.36302 2.24838 -106.83472 714.59457
4670.0000 -110.93303 -107.12155 3.81148 2.21345 -107.28326 731.22828
4675.0000 -111.59376 -106.50319 5.09056 2.25189 -106.78969 744.67907
4680.0000 -112.13655 -107.61599 4.52056 2.21286 -107.29077 711.28464
4685.0000 -110.82203 -106.76414 4.05789 2.26604 -106.60804 719.03601
4690.0000 -111.92453 -107.14444 4.78009 2.24910 -106.82553 712.32816
4695.0000 -112.08525 -106.56514 5.52012 2.25160 -106.79339 748.33867
4700.0000 -110.42243 -105.74671 4.67572 2.33862 -105.67619 790.25490
4705.0000 -111.76266 -107.82959 3.93307 2.24984 -106.81604 733.09426
4710.0000 -111.45660 -107.47455 3.98206 2.23059 -107.06312 693.94809
4715.0000 -111.57211 -107.50248 4.06963 2.19039 -107.57925 657.64652
4720.0000 -111.57493 -107.28376 4.29117 2.20019 -107.45347 710.52635
4725.0000 -111.06287 -106.90975 4.15313 2.21731 -107.23364 684.91670
4730.0000 -110.26529 -105.42370 4.84159 2.35507 -105.46500 788.08546
4735.0000 -109.62989 -106.05322 3.57667 2.35306 -105.49086 781.99872
4740.0000 -109.52121 -105.33418 4.18703 2.33503 -105.72228 754.81822
4745.0000 -111.11684 -106.92819 4.18865 2.30842 -106.06400 737.64244
4750.0000 -111.02641 -106.39274 4.63367 2.21493 -107.26424 680.61203
FREEZING PROCESS: loop number 20 T-loop= 705.00000000000000
main_MD> interactions number 20 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.06324 2.07545 0.03366
force_rgl> df(natom) -2.40395 -1.40207 1.69399
4755.0000 -110.65771 -106.87797 3.77974 2.26520 -106.61890 765.24308
4760.0000 -112.70679 -108.38283 4.32396 2.17987 -107.71434 661.72008
4765.0000 -110.64872 -106.93043 3.71828 2.16881 -107.85636 640.84328
4770.0000 -111.67680 -107.71187 3.96492 2.19985 -107.45787 671.64553
4775.0000 -111.74892 -107.20313 4.54578 2.27277 -106.52163 736.81837
4780.0000 -110.81306 -106.47786 4.33520 2.26582 -106.61082 738.45664
4785.0000 -109.98544 -106.07666 3.90878 2.27448 -106.49976 727.33730
4790.0000 -112.15665 -106.81399 5.34266 2.29777 -106.20072 744.17782
4795.0000 -110.08290 -106.56031 3.52259 2.26184 -106.66199 703.04022
4800.0000 -110.76180 -106.87453 3.88727 2.27235 -106.52704 718.88020
4805.0000 -111.72520 -107.53569 4.18951 2.18662 -107.62769 675.73136
4810.0000 -110.77449 -106.71396 4.06053 2.23718 -106.97851 720.50744
4815.0000 -110.83001 -106.56051 4.26950 2.26753 -106.58890 725.13931
4820.0000 -110.75313 -107.17324 3.57990 2.28854 -106.31922 745.01939
4825.0000 -110.82350 -107.42561 3.39789 2.22333 -107.15636 698.98069
4830.0000 -111.47348 -107.09628 4.37721 2.20518 -107.38945 682.23037
4835.0000 -111.14356 -106.68763 4.45593 2.23381 -107.02183 714.21644
4840.0000 -111.73021 -107.97276 3.75746 2.19780 -107.48417 651.03016
4845.0000 -111.00797 -106.88516 4.12281 2.18477 -107.65136 660.94006
4850.0000 -110.43393 -106.98226 3.45167 2.25406 -106.76184 744.82631
4855.0000 -111.19993 -106.32087 4.87906 2.28879 -106.31593 749.42500
4860.0000 -111.27863 -106.74324 4.53539 2.28732 -106.33486 735.83275
4865.0000 -110.52548 -106.39205 4.13343 2.27626 -106.47691 711.07424
4870.0000 -111.08939 -106.67952 4.40987 2.23372 -107.02304 673.39622
4875.0000 -111.01608 -106.08257 4.93350 2.29772 -106.20137 755.69789
4880.0000 -111.88365 -107.40594 4.47771 2.21531 -107.25936 704.22132
4885.0000 -111.63185 -107.47485 4.15700 2.17367 -107.79390 662.79174
4890.0000 -111.03401 -107.62351 3.41050 2.23074 -107.06122 701.45118
4895.0000 -110.61845 -106.59386 4.02458 2.23497 -107.00689 708.55022
4900.0000 -110.04170 -105.19399 4.84771 2.26075 -106.67598 716.77744
4905.0000 -110.63996 -105.89808 4.74189 2.36882 -105.28852 781.85708
4910.0000 -111.41822 -106.87511 4.54310 2.32181 -105.89202 768.64638
4915.0000 -111.27361 -106.88054 4.39307 2.25818 -106.70894 735.08702
4920.0000 -111.77794 -107.80743 3.97050 2.19153 -107.56459 668.54063
4925.0000 -110.81674 -107.34791 3.46883 2.17715 -107.74918 677.61001
4930.0000 -111.48964 -107.26196 4.22769 2.19997 -107.45631 709.40342
4935.0000 -112.17538 -108.19781 3.97756 2.20393 -107.40538 718.89272
4940.0000 -112.63288 -108.56288 4.06999 2.14464 -108.16666 634.58672
4945.0000 -110.75090 -106.66251 4.08839 2.16367 -107.92231 683.39233
4950.0000 -110.89346 -107.19010 3.70336 2.25475 -106.75299 724.17503
4955.0000 -111.12933 -107.07389 4.05545 2.22876 -107.08661 672.05743
4960.0000 -111.95149 -108.02839 3.92310 2.16122 -107.95377 653.35672
4965.0000 -111.94568 -107.76213 4.18355 2.11592 -108.53528 617.90669
4970.0000 -112.61357 -108.22171 4.39187 2.17140 -107.82312 672.05374
4975.0000 -111.76682 -108.01113 3.75570 2.13861 -108.24400 629.93083
4980.0000 -112.58400 -108.21767 4.36633 2.12077 -108.47305 621.06507
4985.0000 -111.16645 -107.42198 3.74448 2.15655 -108.01372 689.36511
4990.0000 -111.01968 -106.71641 4.30327 2.23180 -107.04764 690.23570
4995.0000 -112.65549 -107.10784 5.54765 2.26837 -106.57820 716.74754
5000.0000 -111.87353 -107.08667 4.78686 2.20860 -107.34548 717.65234
FREEZING PROCESS: loop number 21 T-loop= 680.00000000000000
main_MD> interactions number 21 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42315 -3.16120 3.50922
force_rgl> df(natom) 1.84103 3.37945 1.84343
5005.0000 -111.89341 -107.98717 3.90624 2.20048 -107.44971 699.41818
5010.0000 -112.61440 -108.43983 4.17456 2.11660 -108.52661 628.70391
5015.0000 -112.33350 -107.82340 4.51010 2.16148 -107.95047 665.04421
5020.0000 -111.81541 -108.19410 3.62130 2.16439 -107.91306 679.98989
5025.0000 -112.09258 -108.04629 4.04629 2.16336 -107.92634 651.02658
5030.0000 -111.28421 -107.44653 3.83768 2.17689 -107.75261 669.74715
5035.0000 -110.65529 -106.75986 3.89543 2.23927 -106.95168 704.13972
5040.0000 -111.25184 -107.48212 3.76972 2.23024 -107.06771 689.20403
5045.0000 -110.93908 -107.46916 3.46992 2.21055 -107.32038 681.68002
5050.0000 -111.70691 -108.06168 3.64522 2.17284 -107.80457 664.00060
5055.0000 -112.71306 -109.37088 3.34218 2.07198 -109.09949 593.09707
5060.0000 -112.58420 -109.09895 3.48524 2.05363 -109.33498 569.24171
5065.0000 -111.45237 -107.07043 4.38194 2.14166 -108.20483 647.74599
5070.0000 -112.12917 -108.89338 3.23580 2.12936 -108.36280 637.89581
5075.0000 -112.09606 -108.05909 4.03697 2.09340 -108.82448 589.92682
5080.0000 -113.00763 -108.61660 4.39104 2.09388 -108.81832 606.25231
5085.0000 -111.09416 -107.41593 3.67824 2.18681 -107.62525 672.04238
5090.0000 -111.35716 -107.29188 4.06528 2.21669 -107.24166 698.67163
5095.0000 -110.55743 -107.16413 3.39330 2.21837 -107.22002 690.84255
5100.0000 -111.49120 -107.66316 3.82804 2.14953 -108.10390 647.85898
5105.0000 -110.34928 -106.48034 3.86893 2.22047 -107.19309 716.96633
5110.0000 -111.36505 -107.22511 4.13995 2.23103 -107.05754 716.85842
5115.0000 -110.78621 -107.06539 3.72082 2.23329 -107.02845 714.90077
5120.0000 -111.31123 -107.08244 4.22878 2.21829 -107.22104 719.03661
5125.0000 -111.21360 -107.27553 3.93807 2.23953 -106.94837 701.44115
5130.0000 -112.28174 -107.81436 4.46738 2.20182 -107.43252 708.44609
5135.0000 -110.91224 -107.11603 3.79621 2.20688 -107.36753 672.04523
5140.0000 -111.04489 -106.86277 4.18212 2.21968 -107.20329 670.62503
5145.0000 -110.66211 -106.42816 4.23394 2.23348 -107.02604 672.78847
5150.0000 -111.04167 -106.98053 4.06114 2.26436 -106.62964 725.32076
5155.0000 -111.04686 -107.06091 3.98595 2.23302 -107.03192 707.05776
5160.0000 -111.45744 -108.05358 3.40386 2.16057 -107.96206 629.43576
5165.0000 -111.70282 -106.77220 4.93061 2.20013 -107.45416 669.60838
5170.0000 -111.39090 -107.12250 4.26839 2.17979 -107.71536 657.85759
5175.0000 -110.80897 -106.44744 4.36153 2.24620 -106.86277 737.79381
5180.0000 -111.30593 -107.59048 3.71545 2.23180 -107.04757 720.58185
5185.0000 -111.60895 -107.12710 4.48184 2.19215 -107.55664 645.12768
5190.0000 -112.79124 -109.27041 3.52083 2.17654 -107.75708 660.99950
5195.0000 -111.61543 -107.79247 3.82296 2.13276 -108.31910 626.38089
5200.0000 -110.59076 -106.06955 4.52121 2.20314 -107.41554 691.15170
5205.0000 -111.01063 -106.85040 4.16023 2.26216 -106.65792 733.79464
5210.0000 -112.44517 -108.81120 3.63397 2.17113 -107.82651 656.77932
5215.0000 -111.76219 -107.87186 3.89034 2.13514 -108.28854 651.22762
5220.0000 -112.27991 -107.84009 4.43982 2.18035 -107.70815 702.19138
5225.0000 -112.19685 -108.10620 4.09064 2.13303 -108.31568 649.99818
5230.0000 -111.43561 -106.91988 4.51573 2.16469 -107.90917 670.02512
5235.0000 -111.00583 -107.24960 3.75623 2.21935 -107.20749 689.06105
5240.0000 -110.72489 -106.10723 4.61767 2.22868 -107.08773 708.24602
5245.0000 -111.37346 -108.19265 3.18081 2.21115 -107.31277 681.15863
5250.0000 -111.19926 -107.56347 3.63579 2.18811 -107.60854 687.18130
FREEZING PROCESS: loop number 22 T-loop= 655.00000000000000
main_MD> interactions number 22 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.88916 -3.19079 -4.48931
force_rgl> df(natom) 0.61472 -0.17338 2.27004
5255.0000 -112.13765 -108.15302 3.98463 2.14960 -108.10299 678.29380
5260.0000 -112.37245 -108.70821 3.66423 2.11018 -108.60899 621.52823
5265.0000 -111.87470 -108.05060 3.82410 2.15098 -108.08521 651.16391
5270.0000 -112.18388 -108.04528 4.13860 2.14684 -108.13831 625.36631
5275.0000 -111.16253 -107.17364 3.98889 2.18526 -107.64506 701.97130
5280.0000 -112.26967 -109.02425 3.24542 2.17937 -107.72077 675.40124
5285.0000 -112.06107 -108.71628 3.34479 2.05733 -109.28757 560.30361
5290.0000 -111.73077 -108.21013 3.52064 2.12784 -108.38223 624.54188
5295.0000 -111.56254 -107.61400 3.94854 2.17298 -107.80273 615.89532
5300.0000 -111.80085 -107.73893 4.06192 2.16548 -107.89911 642.03756
5305.0000 -112.16343 -108.57297 3.59045 2.15762 -107.99994 650.65890
5310.0000 -111.44175 -107.63180 3.80994 2.12724 -108.39001 600.55542
5315.0000 -111.32292 -107.14554 4.17738 2.21179 -107.30452 695.35535
5320.0000 -111.18752 -107.42898 3.75855 2.16378 -107.92086 640.81056
5325.0000 -111.71352 -108.06787 3.64564 2.17027 -107.83760 643.49911
5330.0000 -112.04691 -107.97652 4.07039 2.14880 -108.11323 629.69759
5335.0000 -112.60095 -108.63315 3.96779 2.10648 -108.65647 610.80637
5340.0000 -112.19547 -108.61866 3.57681 2.09656 -108.78394 605.15522
5345.0000 -111.32018 -107.47537 3.84481 2.13081 -108.34415 637.43458
5350.0000 -112.14859 -108.29161 3.85698 2.13342 -108.31064 615.64518
5355.0000 -112.98605 -109.74415 3.24189 2.13670 -108.26858 633.26308
5360.0000 -112.73763 -108.77783 3.95980 2.05512 -109.31583 574.81952
5365.0000 -111.12236 -107.69403 3.42833 2.12514 -108.41700 615.57472
5370.0000 -111.56461 -108.40494 3.15967 2.14697 -108.13674 629.15576
5375.0000 -112.70585 -109.46917 3.23668 2.07799 -109.02224 555.92031
5380.0000 -111.70486 -107.81397 3.89089 2.13509 -108.28923 611.99083
5385.0000 -111.78571 -108.13470 3.65101 2.15320 -108.05678 624.85449
5390.0000 -111.44403 -107.56286 3.88117 2.15307 -108.05840 635.81961
5395.0000 -111.51926 -107.99472 3.52454 2.17794 -107.73911 671.27870
5400.0000 -111.91728 -108.93689 2.98039 2.13609 -108.27644 643.45030
5405.0000 -112.51747 -108.81032 3.70714 2.11700 -108.52144 625.15388
5410.0000 -112.28112 -108.45942 3.82169 2.08940 -108.87575 617.04514
5415.0000 -111.61291 -108.32870 3.28421 2.11753 -108.51461 633.06884
5420.0000 -112.24514 -107.90242 4.34272 2.13561 -108.28254 637.30313
5425.0000 -111.66979 -107.80764 3.86215 2.16342 -107.92550 674.06797
5430.0000 -112.24700 -108.14521 4.10179 2.11597 -108.53462 605.20996
5435.0000 -112.80045 -108.41483 4.38562 2.17155 -107.82112 685.72674
5440.0000 -112.06562 -108.58133 3.48429 2.11894 -108.49662 636.36720
5445.0000 -111.65747 -107.75599 3.90148 2.12115 -108.46819 627.62339
5450.0000 -112.26168 -108.27012 3.99156 2.14177 -108.20347 651.12530
5455.0000 -111.59612 -108.17385 3.42228 2.11545 -108.54136 611.74080
5460.0000 -110.63954 -107.28937 3.35017 2.19084 -107.57347 653.78678
5465.0000 -111.75922 -108.50947 3.24975 2.17861 -107.73045 651.25806
5470.0000 -113.41901 -109.44866 3.97035 2.07656 -109.04070 582.63619
5475.0000 -112.14362 -108.73308 3.41054 2.04299 -109.47158 554.35587
5480.0000 -112.11000 -108.60596 3.50404 2.14394 -108.17563 599.37224
5485.0000 -111.17756 -107.70849 3.46907 2.17391 -107.79085 649.17166
5490.0000 -111.81108 -107.86080 3.95029 2.18417 -107.65914 657.94151
5495.0000 -112.51416 -108.02637 4.48779 2.15670 -108.01183 647.50271
5500.0000 -111.99174 -108.30978 3.68196 2.17238 -107.81044 673.74457
FREEZING PROCESS: loop number 23 T-loop= 630.00000000000000
main_MD> interactions number 23 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16311 0.31080 2.05417
force_rgl> df(natom) -1.56262 -1.06789 2.07553
5505.0000 -111.31399 -107.42611 3.88788 2.15913 -107.98065 658.46454
5510.0000 -112.06298 -107.49282 4.57016 2.21450 -107.26968 698.18813
5515.0000 -112.29609 -108.24517 4.05092 2.14074 -108.21667 632.17418
5520.0000 -112.01212 -108.64344 3.36868 2.08493 -108.93317 598.36387
5525.0000 -111.79239 -107.65032 4.14207 2.12772 -108.38385 631.59274
5530.0000 -111.86195 -108.02231 3.83964 2.18272 -107.67775 665.14812
5535.0000 -112.88829 -109.40074 3.48755 2.10897 -108.62461 623.27032
5540.0000 -112.54199 -108.39013 4.15186 2.09336 -108.82501 578.76777
5545.0000 -112.66543 -107.86131 4.80412 2.13191 -108.33003 617.33709
5550.0000 -112.60592 -108.58343 4.02250 2.13789 -108.25328 633.23202
5555.0000 -112.93259 -109.17957 3.75303 2.07949 -109.00302 600.01136
5560.0000 -112.61106 -109.18519 3.42587 2.05362 -109.33510 569.80824
5565.0000 -112.40404 -108.83693 3.56711 2.05998 -109.25352 567.74726
5570.0000 -112.69521 -109.09006 3.60514 2.08167 -108.97509 600.53768
5575.0000 -111.97817 -108.69340 3.28477 2.08620 -108.91686 549.37019
5580.0000 -112.80129 -109.37032 3.43097 2.08847 -108.88774 592.80790
5585.0000 -113.13585 -108.94466 4.19120 2.07470 -109.06447 594.04940
5590.0000 -112.10925 -108.01035 4.09890 2.06680 -109.16590 586.60802
5595.0000 -112.87635 -108.71485 4.16151 2.13160 -108.33403 638.15081
5600.0000 -112.54737 -108.69180 3.85558 2.12517 -108.41661 636.28997
5605.0000 -111.43578 -108.57075 2.86503 2.09218 -108.84008 623.84521
5610.0000 -111.69439 -108.31896 3.37542 2.08391 -108.94627 604.97796
5615.0000 -111.56467 -108.22925 3.33543 2.13478 -108.29325 664.47853
5620.0000 -112.05695 -108.11403 3.94292 2.15350 -108.05281 652.68142
5625.0000 -112.01431 -107.75625 4.25806 2.13505 -108.28977 650.18304
5630.0000 -112.07526 -108.20307 3.87218 2.14160 -108.20569 657.01387
5635.0000 -112.13317 -108.19448 3.93869 2.13724 -108.26158 658.06996
5640.0000 -110.65796 -106.54811 4.10985 2.23067 -107.06220 685.52540
5645.0000 -111.81205 -108.10417 3.70788 2.22131 -107.18227 711.58018
5650.0000 -111.67302 -107.62169 4.05133 2.17880 -107.72807 661.16681
5655.0000 -111.18704 -107.29220 3.89484 2.14859 -108.11593 641.61891
5660.0000 -111.95705 -108.23343 3.72361 2.16962 -107.84586 652.39349
5665.0000 -111.77062 -108.20094 3.56968 2.18228 -107.68334 664.89812
5670.0000 -111.42828 -107.34324 4.08504 2.17245 -107.80962 639.75393
5675.0000 -112.29929 -108.52863 3.77067 2.17882 -107.72778 657.20124
5680.0000 -111.47412 -107.92299 3.55113 2.16551 -107.89871 662.78475
5685.0000 -112.44271 -108.54760 3.89511 2.12848 -108.37413 642.77707
5690.0000 -111.72423 -107.85312 3.87111 2.13491 -108.29149 635.97562
5695.0000 -112.10472 -108.36096 3.74376 2.20314 -107.41561 672.60276
5700.0000 -112.01985 -108.78132 3.23854 2.09857 -108.75804 545.35069
5705.0000 -111.07569 -107.38601 3.68967 2.14237 -108.19570 625.43555
5710.0000 -111.62312 -107.28143 4.34169 2.21283 -107.29119 679.50521
5715.0000 -111.83751 -108.23873 3.59877 2.15950 -107.97582 657.79995
5720.0000 -111.70898 -108.91636 2.79262 2.12965 -108.35906 611.75434
5725.0000 -112.20937 -109.05061 3.15877 2.07521 -109.05796 585.85173
5730.0000 -113.09793 -109.25711 3.84082 2.08308 -108.95693 581.60388
5735.0000 -112.91123 -109.36943 3.54180 2.07413 -109.07187 595.56289
5740.0000 -112.03268 -108.60351 3.42917 2.07233 -109.09491 558.09469
5745.0000 -112.52669 -108.80143 3.72526 2.12976 -108.35770 630.73200
5750.0000 -113.12896 -109.91091 3.21806 2.07534 -109.05631 587.06972
FREEZING PROCESS: loop number 24 T-loop= 605.00000000000000
main_MD> interactions number 24 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33022 0.06222 -0.09291
force_rgl> df(natom) 1.38731 -0.74905 -0.86536
5755.0000 -112.30926 -108.90658 3.40268 2.04024 -109.50692 554.02534
5760.0000 -112.41648 -108.66301 3.75348 2.05589 -109.30606 586.52348
5765.0000 -111.63032 -107.57882 4.05150 2.13437 -108.29842 624.93972
5770.0000 -111.88340 -109.02964 2.85376 2.15805 -107.99440 667.81062
5775.0000 -112.70825 -109.64300 3.06525 2.07411 -109.07207 581.17231
5780.0000 -112.78858 -109.22451 3.56407 2.03631 -109.55744 541.25692
5785.0000 -112.11850 -108.61599 3.50251 2.06274 -109.21809 543.16869
5790.0000 -112.28928 -108.57488 3.71440 2.08360 -108.95023 588.92692
5795.0000 -111.75609 -108.77091 2.98517 2.11876 -108.49893 633.93721
5800.0000 -112.07281 -108.46140 3.61141 2.13649 -108.27123 646.76385
5805.0000 -111.78015 -108.15885 3.62130 2.15090 -108.08627 654.92558
5810.0000 -111.30477 -107.22775 4.07703 2.19383 -107.53515 667.95520
5815.0000 -111.86258 -107.51574 4.34684 2.18248 -107.68078 661.16701
5820.0000 -110.67753 -107.43038 3.24715 2.20287 -107.41904 700.36004
5825.0000 -113.24152 -109.45710 3.78442 2.13024 -108.35152 615.48507
5830.0000 -111.75812 -108.66701 3.09111 2.05545 -109.31165 557.50347
5835.0000 -111.89934 -108.62699 3.27235 2.07478 -109.06353 593.15958
5840.0000 -112.29028 -109.06676 3.22353 2.09702 -108.77800 561.87932
5845.0000 -111.52850 -108.11605 3.41245 2.15069 -108.08890 603.09612
5850.0000 -111.67151 -107.62095 4.05056 2.18517 -107.64628 630.57479
5855.0000 -111.92588 -107.66348 4.26239 2.17028 -107.83745 653.78435
5860.0000 -111.86586 -108.60851 3.25735 2.12607 -108.40508 635.98250
5865.0000 -111.88578 -107.97134 3.91444 2.12476 -108.42180 600.04555
5870.0000 -112.33155 -108.33452 3.99703 2.14744 -108.13072 632.54189
5875.0000 -112.35513 -109.16555 3.18958 2.09950 -108.74607 611.28610
5880.0000 -112.44919 -109.33400 3.11519 2.06356 -109.20759 553.95569
5885.0000 -113.14804 -109.68905 3.45899 2.06451 -109.19538 596.59279
5890.0000 -112.12481 -108.73108 3.39372 2.06304 -109.21425 593.70253
5895.0000 -112.36499 -109.11107 3.25392 2.09614 -108.78930 618.70267
5900.0000 -112.94986 -109.39177 3.55810 2.08655 -108.91243 601.68032
5905.0000 -112.48294 -109.93632 2.54662 2.04132 -109.49304 567.19981
5910.0000 -112.90057 -109.98481 2.91576 2.02595 -109.69042 543.39938
5915.0000 -112.37417 -109.08211 3.29206 2.04902 -109.39423 553.80605
5920.0000 -112.89791 -109.43508 3.46283 2.07758 -109.02755 588.18952
5925.0000 -112.96702 -110.05030 2.91672 2.02213 -109.73948 562.58420
5930.0000 -113.20998 -109.54017 3.66981 2.02173 -109.74459 550.42949
5935.0000 -113.79040 -109.75881 4.03159 2.03636 -109.55679 569.11447
5940.0000 -112.55627 -108.56205 3.99422 2.07098 -109.11224 624.86367
5945.0000 -112.37659 -108.61688 3.75971 2.12386 -108.43341 624.44024
5950.0000 -112.78717 -108.80341 3.98375 2.10526 -108.67220 620.67987
5955.0000 -112.51397 -108.50866 4.00531 2.13280 -108.31861 645.27269
5960.0000 -113.20878 -109.59849 3.61029 2.08205 -108.97012 612.61896
5965.0000 -111.80828 -107.86683 3.94144 2.11842 -108.50323 604.31985
5970.0000 -112.07129 -108.82144 3.24985 2.14274 -108.19095 648.85234
5975.0000 -112.44226 -108.27449 4.16777 2.13336 -108.31137 612.08714
5980.0000 -111.93814 -107.72866 4.20949 2.14715 -108.13440 648.71114
5985.0000 -111.79014 -107.25410 4.53603 2.22205 -107.17277 711.78954
5990.0000 -112.18634 -109.13739 3.04895 2.13106 -108.34090 626.55323
5995.0000 -112.68986 -109.67004 3.01982 2.05828 -109.27528 563.63227
6000.0000 -112.01760 -107.63974 4.37786 2.08815 -108.89190 610.97079
FREEZING PROCESS: loop number 25 T-loop= 580.00000000000000
main_MD> interactions number 25 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.95881 -2.36361 -3.81426
force_rgl> df(natom) 1.21503 0.73278 0.97968
6005.0000 -112.17384 -108.36690 3.80694 2.16869 -107.85788 657.80114
6010.0000 -112.36929 -108.54128 3.82801 2.13525 -108.28712 600.68185
6015.0000 -113.04023 -109.44718 3.59305 2.06036 -109.24868 571.50773
6020.0000 -113.06137 -110.03696 3.02441 2.03540 -109.56900 552.25776
6025.0000 -113.24376 -110.39899 2.84478 2.02201 -109.74100 533.29461
6030.0000 -113.45442 -110.52349 2.93093 1.98512 -110.21459 508.39388
6035.0000 -113.69308 -110.14752 3.54556 1.97433 -110.35310 507.18035
6040.0000 -113.44983 -110.33259 3.11723 1.94912 -110.67675 488.48444
6045.0000 -113.44222 -109.53850 3.90373 1.98471 -110.21979 550.46341
6050.0000 -112.08165 -108.82339 3.25825 2.05863 -109.27084 568.88568
6055.0000 -112.83843 -109.41848 3.41995 2.05848 -109.27275 583.21055
6060.0000 -112.80011 -108.97305 3.82706 2.08038 -108.99155 591.33574
6065.0000 -112.65864 -108.19461 4.46404 2.09193 -108.84336 607.07674
6070.0000 -111.69151 -108.36637 3.32514 2.14505 -108.16132 646.85422
6075.0000 -112.34844 -109.41628 2.93216 2.10686 -108.65163 609.33974
6080.0000 -112.02496 -108.99515 3.02981 2.06604 -109.17566 565.28201
6085.0000 -112.37972 -109.22081 3.15892 2.05251 -109.34941 550.88121
6090.0000 -112.67211 -108.73990 3.93221 2.06884 -109.13979 578.03494
6095.0000 -113.00880 -109.07604 3.93276 2.09339 -108.82461 577.26974
6100.0000 -111.89081 -108.70810 3.18271 2.07595 -109.04844 574.30969
6105.0000 -113.26602 -109.67052 3.59549 2.06379 -109.20460 576.74522
6110.0000 -113.48247 -110.32169 3.16078 1.99917 -110.03423 528.30613
6115.0000 -114.32577 -111.18994 3.13583 1.95447 -110.60801 495.24143
6120.0000 -113.41892 -110.31408 3.10484 1.97882 -110.29551 530.52531
6125.0000 -113.03168 -109.94941 3.08227 2.00741 -109.92836 550.37400
6130.0000 -111.54725 -108.18288 3.36437 2.03542 -109.56882 558.98620
6135.0000 -113.11467 -109.09710 4.01757 2.11485 -108.54912 639.34295
6140.0000 -112.12614 -108.60881 3.51733 2.05088 -109.37034 561.37645
6145.0000 -112.50536 -108.63268 3.87268 2.10524 -108.67244 610.18311
6150.0000 -112.25778 -108.31388 3.94390 2.12891 -108.36860 626.75244
6155.0000 -111.49763 -108.27014 3.22749 2.13568 -108.28162 624.12879
6160.0000 -112.29012 -109.61288 2.67723 2.09820 -108.76288 583.17790
6165.0000 -112.78966 -109.47434 3.31531 2.08435 -108.94061 574.33307
6170.0000 -112.54532 -109.08953 3.45579 2.09089 -108.85665 604.45361
6175.0000 -113.47275 -109.85424 3.61851 2.02620 -109.68723 563.98364
6180.0000 -113.22727 -109.57256 3.65471 2.03314 -109.59807 598.03866
6185.0000 -113.33953 -109.87380 3.46573 2.03122 -109.62277 534.28371
6190.0000 -111.74779 -109.04435 2.70344 2.02989 -109.63981 548.24275
6195.0000 -112.11269 -108.60389 3.50880 2.11702 -108.52119 616.11010
6200.0000 -112.01058 -108.51568 3.49490 2.10081 -108.72936 609.21483
6205.0000 -112.63284 -109.21836 3.41448 2.10026 -108.73642 588.89205
6210.0000 -112.76204 -109.66916 3.09287 2.07089 -109.11344 567.78024
6215.0000 -113.64910 -110.75460 2.89450 2.00882 -109.91027 514.66989
6220.0000 -112.69035 -110.32603 2.36432 1.96207 -110.51051 475.30102
6225.0000 -113.22623 -109.98755 3.23868 1.99599 -110.07498 516.47204
6230.0000 -111.64648 -107.95850 3.68798 2.08141 -108.97840 600.43430
6235.0000 -112.19774 -108.12958 4.06816 2.12844 -108.37464 607.51646
6240.0000 -112.41498 -109.33117 3.08381 2.11487 -108.54883 595.33765
6245.0000 -111.47319 -107.86560 3.60760 2.10916 -108.62211 609.17424
6250.0000 -112.54025 -108.80529 3.73496 2.14650 -108.14276 622.85160
FREEZING PROCESS: loop number 26 T-loop= 555.00000000000000
main_MD> interactions number 26 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.64979 2.57112 1.73270
force_rgl> df(natom) -0.04721 -2.92025 0.17735
6255.0000 -112.22387 -109.47512 2.74875 2.07960 -109.00161 572.68162
6260.0000 -112.74399 -109.68401 3.05998 2.06181 -109.22996 565.16588
6265.0000 -113.69430 -110.17130 3.52300 2.01082 -109.88467 528.26939
6270.0000 -113.21218 -110.07765 3.13452 2.01615 -109.81624 545.03279
6275.0000 -113.61965 -110.16193 3.45772 2.03586 -109.56316 575.12883
6280.0000 -113.06522 -110.11989 2.94533 1.99341 -110.10820 529.93922
6285.0000 -113.15263 -109.50975 3.64288 2.01301 -109.85647 525.42396
6290.0000 -113.26642 -109.37782 3.88860 2.01664 -109.80993 527.60132
6295.0000 -112.61759 -109.55589 3.06171 2.02952 -109.64452 529.45385
6300.0000 -112.76987 -109.70319 3.06668 2.09338 -108.82464 594.63980
6305.0000 -111.88576 -109.33026 2.55551 2.05784 -109.28092 561.21996
6310.0000 -112.79503 -109.52591 3.26911 2.06062 -109.24525 580.64442
6315.0000 -113.08915 -109.64500 3.44415 1.98913 -110.16304 507.83975
6320.0000 -112.27745 -108.84400 3.43345 2.06856 -109.14333 588.54285
6325.0000 -112.63168 -109.19026 3.44142 2.09731 -108.77425 610.14665
6330.0000 -112.43656 -109.01267 3.42388 2.08862 -108.88576 587.92535
6335.0000 -112.34442 -109.51571 2.82871 2.04182 -109.48670 550.16632
6340.0000 -112.45887 -108.51146 3.94741 2.06567 -109.18051 568.07431
6345.0000 -111.75877 -107.46016 4.29861 2.16292 -107.93191 655.43949
6350.0000 -111.04163 -107.62204 3.41959 2.19722 -107.49158 703.63808
6355.0000 -113.21379 -109.34476 3.86903 2.11659 -108.52672 612.04063
6360.0000 -112.28610 -109.19175 3.09435 2.05666 -109.29615 551.36340
6365.0000 -113.15804 -109.96031 3.19773 2.03768 -109.53981 555.02697
6370.0000 -113.26811 -109.98378 3.28432 2.00830 -109.91703 555.18285
6375.0000 -113.92657 -110.26605 3.66052 1.97041 -110.40340 533.51906
6380.0000 -112.68558 -109.32416 3.36142 2.01387 -109.84548 561.92656
6385.0000 -113.02470 -109.64287 3.38182 2.07637 -109.04308 572.81410
6390.0000 -113.56066 -110.56602 2.99464 1.99986 -110.02536 527.77929
6395.0000 -113.50521 -110.38302 3.12219 1.97316 -110.36808 501.80608
6400.0000 -113.26310 -109.92099 3.34211 2.01281 -109.85902 550.13138
6405.0000 -113.05351 -109.97151 3.08200 2.02120 -109.75136 536.05065
6410.0000 -112.85798 -109.15595 3.70203 2.02495 -109.70322 560.15321
6415.0000 -113.20904 -109.44817 3.76086 2.04665 -109.42466 570.57920
6420.0000 -113.56622 -110.07751 3.48872 2.01322 -109.85380 551.28111
6425.0000 -113.67537 -110.81140 2.86398 1.96827 -110.43094 507.31607
6430.0000 -113.78873 -110.17703 3.61171 2.00174 -110.00114 541.56892
6435.0000 -113.97385 -110.20306 3.77078 2.01577 -109.82107 551.67060
6440.0000 -113.22500 -110.41650 2.80850 1.95443 -110.60855 502.44204
6445.0000 -113.18445 -110.15391 3.03054 2.01609 -109.81697 549.36434
6450.0000 -112.72568 -109.52666 3.19902 2.01452 -109.83710 542.01906
6455.0000 -112.85244 -109.70161 3.15083 2.05494 -109.31826 571.51659
6460.0000 -112.95523 -109.77993 3.17530 2.04350 -109.46509 556.58339
6465.0000 -112.08802 -108.72086 3.36716 2.09781 -108.76783 610.14273
6470.0000 -113.59077 -109.85833 3.73244 2.07210 -109.09790 582.68404
6475.0000 -113.35107 -109.97322 3.37785 1.97802 -110.30570 539.94237
6480.0000 -114.68576 -111.74017 2.94559 1.93299 -110.88378 515.37497
6485.0000 -114.48062 -110.92319 3.55743 1.90272 -111.27247 467.85110
6490.0000 -113.55414 -110.50034 3.05379 1.98855 -110.17058 561.30059
6495.0000 -113.11687 -110.05803 3.05884 1.94872 -110.68185 537.02869
6500.0000 -113.42604 -109.98912 3.43692 2.00854 -109.91387 566.09229
FREEZING PROCESS: loop number 27 T-loop= 530.00000000000000
main_MD> interactions number 27 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12476 -0.77985 -0.73436
force_rgl> df(natom) -0.33124 0.35457 -0.16729
6505.0000 -113.34174 -109.78105 3.56069 2.00641 -109.94129 535.49500
6510.0000 -112.77248 -109.57722 3.19526 2.02769 -109.66806 544.58964
6515.0000 -112.37371 -109.59677 2.77694 2.02441 -109.71020 554.93261
6520.0000 -112.80385 -109.32798 3.47586 2.02996 -109.63888 564.08935
6525.0000 -113.09134 -110.33495 2.75639 1.99511 -110.08630 527.53114
6530.0000 -113.56695 -110.23850 3.32845 1.99126 -110.13571 528.79940
6535.0000 -113.96795 -110.21953 3.74841 1.96403 -110.48529 491.55711
6540.0000 -113.87058 -110.40608 3.46451 1.99083 -110.14122 529.51973
6545.0000 -113.62911 -110.19227 3.43684 2.00026 -110.02017 509.37961
6550.0000 -113.28093 -110.14858 3.13234 1.99573 -110.07840 510.54413
6555.0000 -113.08811 -109.69918 3.38893 2.00326 -109.98172 548.68980
6560.0000 -113.56038 -109.28923 4.27115 2.04504 -109.44528 583.90379
6565.0000 -112.70790 -109.00653 3.70137 2.04464 -109.45046 558.77935
6570.0000 -113.14604 -109.63805 3.50799 2.02362 -109.72033 572.96932
6575.0000 -112.56872 -109.34899 3.21972 2.06063 -109.24517 562.92427
6580.0000 -112.18567 -108.15261 4.03306 2.08657 -108.91208 604.50244
6585.0000 -112.60230 -109.46596 3.13634 2.07529 -109.05692 574.48626
6590.0000 -111.74906 -108.64532 3.10374 2.06925 -109.13453 553.15900
6595.0000 -112.43023 -109.10344 3.32679 2.08181 -108.97318 574.81735
6600.0000 -112.53813 -109.33362 3.20451 2.07364 -109.07809 558.96515
6605.0000 -113.16798 -110.14559 3.02239 2.03482 -109.57651 516.76136
6610.0000 -112.23498 -109.48350 2.75148 2.01263 -109.86141 491.95387
6615.0000 -112.25472 -108.39102 3.86370 2.07284 -109.08841 542.19560
6620.0000 -112.90469 -109.23368 3.67101 2.09862 -108.75745 577.53340
6625.0000 -111.90111 -108.61606 3.28505 2.09531 -108.79992 604.11940
6630.0000 -112.31094 -108.73647 3.57447 2.10416 -108.68631 584.47065
6635.0000 -113.09944 -109.26733 3.83210 2.05345 -109.33735 569.54503
6640.0000 -113.26818 -110.01752 3.25066 2.01416 -109.84178 521.51283
6645.0000 -113.03829 -110.54312 2.49517 1.98352 -110.23511 477.38977
6650.0000 -113.48892 -110.36138 3.12754 1.94929 -110.67454 459.95050
6655.0000 -113.49709 -110.83192 2.66517 1.97164 -110.38759 488.66633
6660.0000 -113.50304 -110.33298 3.17007 1.93583 -110.84738 460.63780
6665.0000 -112.48999 -109.19392 3.29607 2.02495 -109.70321 557.29589
6670.0000 -113.12832 -109.32821 3.80011 2.05259 -109.34840 572.40564
6675.0000 -113.09088 -109.56193 3.52895 2.03014 -109.63658 553.18997
6680.0000 -113.68656 -110.44681 3.23975 2.01494 -109.83170 546.96916
6685.0000 -113.27058 -110.12562 3.14496 1.97416 -110.35530 514.23028
6690.0000 -111.95840 -108.44235 3.51605 2.03960 -109.51518 566.63825
6695.0000 -113.46396 -110.10998 3.35399 2.06308 -109.21371 587.81179
6700.0000 -113.60045 -110.90361 2.69683 1.96359 -110.49093 516.93475
6705.0000 -113.42909 -110.65475 2.77434 1.95010 -110.66420 498.27176
6710.0000 -113.43041 -110.91574 2.51467 1.91420 -111.12509 449.95471
6715.0000 -113.42868 -110.52192 2.90676 1.94821 -110.68847 484.35245
6720.0000 -113.09714 -109.74816 3.34898 1.98464 -110.22071 510.88212
6725.0000 -113.74512 -110.23269 3.51243 2.00582 -109.94888 533.91006
6730.0000 -112.29297 -108.99425 3.29872 2.04878 -109.39724 553.14522
6735.0000 -113.13346 -109.71023 3.42324 2.08239 -108.96576 606.00666
6740.0000 -112.90872 -110.04510 2.86362 2.01470 -109.83479 541.32598
6745.0000 -113.65037 -110.67632 2.97405 1.96108 -110.52321 494.55092
6750.0000 -113.54417 -110.79439 2.74979 1.90900 -111.19176 454.52054
FREEZING PROCESS: loop number 28 T-loop= 505.00000000000000
main_MD> interactions number 28 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36230 -0.92851 0.16319
force_rgl> df(natom) 3.03394 -0.00853 -1.52802
6755.0000 -112.94649 -110.34366 2.60283 1.97173 -110.38644 514.44488
6760.0000 -113.29824 -110.01975 3.27850 1.99067 -110.14332 508.28739
6765.0000 -112.66962 -109.48267 3.18694 2.00709 -109.93253 536.81215
6770.0000 -112.83729 -110.09954 2.73775 1.99664 -110.06672 536.05326
6775.0000 -112.47361 -109.14676 3.32686 2.02207 -109.74015 534.32895
6780.0000 -111.94125 -109.14553 2.79572 2.08325 -108.95469 575.49150
6785.0000 -113.26514 -110.23041 3.03473 2.01018 -109.89279 513.52439
6790.0000 -113.56713 -110.82774 2.73938 1.96457 -110.47836 486.53038
6795.0000 -113.17376 -109.90101 3.27275 1.97752 -110.31210 503.67551
6800.0000 -113.39376 -110.76371 2.63005 1.96064 -110.52888 487.50104
6805.0000 -113.40391 -110.59614 2.80777 1.96234 -110.50701 477.23740
6810.0000 -113.27377 -109.21733 4.05644 2.03019 -109.63596 537.31066
6815.0000 -113.42387 -110.26390 3.15996 2.00424 -109.96908 534.32864
6820.0000 -113.90428 -110.01421 3.89007 1.97968 -110.28436 512.93404
6825.0000 -113.20133 -109.86002 3.34131 1.99454 -110.09370 511.95779
6830.0000 -112.98710 -109.85193 3.13518 1.99121 -110.13640 500.32128
6835.0000 -113.51026 -110.40757 3.10269 2.01410 -109.84251 523.65808
6840.0000 -112.96398 -110.17473 2.78924 1.97307 -110.36928 489.96028
6845.0000 -113.76242 -110.70607 3.05635 1.98230 -110.25071 503.69430
6850.0000 -112.93620 -110.26489 2.67131 1.95075 -110.65578 481.37775
6855.0000 -113.61038 -110.79183 2.81855 2.00152 -110.00398 531.48469
6860.0000 -113.78535 -110.76329 3.02206 1.94354 -110.74844 490.63799
6865.0000 -112.68526 -108.88117 3.80409 1.96762 -110.43926 509.59183
6870.0000 -113.29931 -110.66950 2.62981 1.99857 -110.04187 538.68089
6875.0000 -113.52055 -110.65964 2.86091 1.96379 -110.48841 490.61386
6880.0000 -113.16139 -110.44877 2.71262 1.97173 -110.38650 507.15938
6885.0000 -113.76835 -110.53997 3.22837 1.96360 -110.49086 495.44198
6890.0000 -113.92405 -110.81264 3.11141 1.96754 -110.44022 493.02632
6895.0000 -113.73698 -111.10524 2.63174 1.92935 -110.93059 460.99516
6900.0000 -113.50662 -110.74252 2.76410 1.93548 -110.85188 473.64744
6905.0000 -113.97198 -110.71106 3.26092 1.93789 -110.82096 469.66257
6910.0000 -113.80000 -110.63871 3.16129 1.95218 -110.63745 498.67658
6915.0000 -112.34857 -109.53887 2.80971 1.98547 -110.21003 485.92255
6920.0000 -112.90489 -109.26228 3.64261 2.04037 -109.50525 525.08219
6925.0000 -113.24050 -109.99715 3.24335 2.01857 -109.78514 524.77769
6930.0000 -112.84921 -109.56445 3.28476 2.01525 -109.82778 530.99183
6935.0000 -113.77627 -110.70154 3.07472 1.99177 -110.12917 529.21321
6940.0000 -113.23902 -110.17650 3.06252 1.96724 -110.44416 498.29214
6945.0000 -113.34384 -110.11573 3.22812 1.99729 -110.05831 522.27823
6950.0000 -113.36109 -110.55282 2.80828 1.99272 -110.11701 536.51155
6955.0000 -113.30841 -110.58411 2.72430 1.95930 -110.54602 490.03724
6960.0000 -112.67905 -109.20291 3.47615 2.03333 -109.59568 564.10601
6965.0000 -113.21216 -110.26842 2.94374 1.99556 -110.08053 552.20553
6970.0000 -113.78311 -110.69300 3.09011 1.94740 -110.69889 486.78484
6975.0000 -113.20868 -110.08180 3.12689 2.00404 -109.97167 555.94489
6980.0000 -113.28480 -110.45105 2.83374 1.99468 -110.09181 539.86623
6985.0000 -113.17450 -109.93106 3.24345 1.99455 -110.09354 522.05925
6990.0000 -112.99589 -109.55688 3.43901 1.98899 -110.16494 493.84101
6995.0000 -113.55665 -111.08124 2.47541 1.95785 -110.56468 491.20911
7000.0000 -113.69297 -110.86835 2.82462 1.95132 -110.64855 453.67991
FREEZING PROCESS: loop number 29 T-loop= 480.00000000000000
main_MD> interactions number 29 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81686 0.70867 -1.49984
force_rgl> df(natom) 5.27926 -2.83429 -2.07668
7005.0000 -112.20255 -109.77656 2.42600 2.01309 -109.85544 513.37351
7010.0000 -112.42396 -109.69630 2.72766 2.00720 -109.93110 500.90965
7015.0000 -113.30193 -109.82526 3.47667 1.99549 -110.08139 493.98746
7020.0000 -112.57719 -110.17300 2.40419 1.99624 -110.07175 517.21216
7025.0000 -113.49779 -110.49464 3.00315 1.95514 -110.59945 495.94312
7030.0000 -113.58856 -110.38747 3.20109 1.98146 -110.26152 506.09952
7035.0000 -113.75141 -110.52482 3.22659 1.97146 -110.38997 515.62989
7040.0000 -113.85535 -110.62980 3.22555 1.97701 -110.31873 522.74722
7045.0000 -112.99672 -109.27189 3.72482 2.01626 -109.81475 547.58866
7050.0000 -112.56293 -110.02177 2.54116 2.04030 -109.50617 524.48213
7055.0000 -112.70979 -109.74839 2.96139 2.00678 -109.93647 507.87163
7060.0000 -113.59673 -110.50386 3.09286 1.99908 -110.03535 520.14597
7065.0000 -113.13421 -109.61650 3.51771 1.98021 -110.27754 505.30282
7070.0000 -113.96170 -110.83456 3.12714 1.96941 -110.41625 491.37826
7075.0000 -113.78916 -110.90364 2.88552 1.95254 -110.63281 487.51013
7080.0000 -114.17791 -111.08499 3.09292 1.90047 -111.30132 444.91224
7085.0000 -114.01192 -112.07125 1.94067 1.85683 -111.86158 407.77372
7090.0000 -114.06627 -111.73175 2.33451 1.86386 -111.77132 413.55511
7095.0000 -113.85171 -111.26374 2.58796 1.92325 -111.00884 460.86814
7100.0000 -113.89205 -110.82041 3.07164 1.94763 -110.69582 491.05820
7105.0000 -114.45583 -111.70599 2.74984 1.90922 -111.18895 462.96581
7110.0000 -113.94394 -111.09378 2.85016 1.88248 -111.53227 431.06243
7115.0000 -113.08973 -110.07841 3.01132 1.94887 -110.67997 473.27794
7120.0000 -113.51915 -110.83576 2.68339 2.00332 -109.98096 538.62574
7125.0000 -113.95129 -110.64204 3.30925 1.92685 -110.96269 460.31023
7130.0000 -113.83558 -110.73684 3.09874 1.91134 -111.16176 464.28438
7135.0000 -114.14758 -111.01781 3.12977 1.91924 -111.06032 464.64023
7140.0000 -113.93347 -111.18589 2.74757 1.94049 -110.78756 484.40289
7145.0000 -114.36893 -111.83225 2.53668 1.90878 -111.19469 490.37143
7150.0000 -115.00753 -111.99230 3.01523 1.86773 -111.72160 458.08203
7155.0000 -113.86832 -110.90992 2.95840 1.86541 -111.75148 451.70403
7160.0000 -114.61960 -111.49425 3.12535 1.89551 -111.36500 485.42742
7165.0000 -114.09344 -111.14857 2.94488 1.88935 -111.44406 486.19669
7170.0000 -114.64611 -111.22726 3.41884 1.91529 -111.11109 500.40606
7175.0000 -114.64682 -111.51577 3.13106 1.86732 -111.72687 459.83127
7180.0000 -113.78730 -111.16386 2.62344 1.90112 -111.29304 490.74967
7185.0000 -114.43472 -111.19711 3.23761 1.90317 -111.26666 495.75484
7190.0000 -114.53570 -111.62520 2.91050 1.85437 -111.89311 429.63841
7195.0000 -114.22927 -111.65763 2.57163 1.86398 -111.76974 462.92355
7200.0000 -114.53016 -111.96965 2.56051 1.84915 -111.96014 440.75554
7205.0000 -114.71729 -112.11265 2.60464 1.85867 -111.83795 417.52743
7210.0000 -113.53488 -111.26377 2.27111 1.88701 -111.47413 466.15395
7215.0000 -113.92538 -111.23563 2.68975 1.89237 -111.40530 470.16686
7220.0000 -113.89327 -110.89537 2.99790 1.92691 -110.96187 469.65519
7225.0000 -113.88188 -111.50920 2.37267 1.91649 -111.09562 456.87433
7230.0000 -113.77993 -111.62108 2.15884 1.87794 -111.59061 409.84707
7235.0000 -113.72448 -110.87077 2.85371 1.90979 -111.18167 439.06653
7240.0000 -113.48771 -110.24275 3.24496 1.94359 -110.74770 486.15100
7245.0000 -114.03228 -111.50223 2.53005 1.94050 -110.78740 462.48931
7250.0000 -113.09855 -110.52076 2.57780 1.94833 -110.68688 476.42757
FREEZING PROCESS: loop number 30 T-loop= 455.00000000000000
main_MD> interactions number 30 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69422 -0.31522 -1.12493
force_rgl> df(natom) 0.15115 0.66485 -5.11982
7255.0000 -113.28905 -110.57153 2.71751 1.96082 -110.52657 481.31968
7260.0000 -113.78164 -110.93636 2.84528 1.97926 -110.28977 490.28652
7265.0000 -113.28277 -110.67738 2.60539 1.92878 -110.93787 445.74571
7270.0000 -113.83322 -111.26048 2.57274 1.94792 -110.69220 470.20877
7275.0000 -114.50708 -112.10426 2.40282 1.88557 -111.49261 414.07390
7280.0000 -114.30551 -111.65671 2.64879 1.85104 -111.93590 404.88627
7285.0000 -113.40696 -110.55768 2.84928 1.90615 -111.22834 453.40213
7290.0000 -113.52253 -110.86868 2.65385 1.93304 -110.88319 471.87408
7295.0000 -113.83811 -110.64530 3.19281 1.94469 -110.73362 482.97726
7300.0000 -113.75423 -110.51441 3.23981 1.95072 -110.65617 492.63481
7305.0000 -113.32263 -110.48745 2.83518 1.96871 -110.42528 498.05685
7310.0000 -114.07708 -111.64279 2.43428 1.89802 -111.33279 439.07236
7315.0000 -114.09916 -111.35369 2.74547 1.85318 -111.90843 385.01197
7320.0000 -113.07762 -110.44905 2.62856 1.91162 -111.15813 428.60446
7325.0000 -112.71154 -110.43232 2.27923 1.98437 -110.22415 497.67287
7330.0000 -113.01117 -110.09526 2.91592 1.95439 -110.60906 454.34941
7335.0000 -113.50227 -110.94499 2.55728 1.94573 -110.72032 460.70466
7340.0000 -113.91534 -111.43720 2.47814 1.90332 -111.26472 443.47530
7345.0000 -113.15631 -110.93030 2.22601 1.91606 -111.10113 452.34388
7350.0000 -113.59684 -110.97450 2.62234 1.94277 -110.75822 481.75010
7355.0000 -113.83804 -110.97467 2.86337 1.91987 -111.05228 467.75717
7360.0000 -113.75097 -111.22418 2.52679 1.94151 -110.77441 482.54624
7365.0000 -114.36743 -111.72503 2.64239 1.89592 -111.35969 445.36377
7370.0000 -113.81307 -111.43202 2.38105 1.90993 -111.17988 467.28038
7375.0000 -114.75850 -112.21761 2.54088 1.83572 -112.13262 394.95390
7380.0000 -114.79401 -111.98705 2.80696 1.85068 -111.94056 419.71664
7385.0000 -114.03480 -111.26678 2.76803 1.90051 -111.30084 457.57777
7390.0000 -114.12021 -111.26096 2.85925 1.92358 -111.00461 476.50451
7395.0000 -114.59549 -111.37021 3.22528 1.89377 -111.38729 452.03051
7400.0000 -114.47615 -112.10690 2.36925 1.87309 -111.65288 422.73146
7405.0000 -114.41498 -112.01864 2.39634 1.85311 -111.90936 406.95392
7410.0000 -113.88632 -111.75094 2.13538 1.85697 -111.85974 393.43504
7415.0000 -113.97603 -111.42530 2.55073 1.87497 -111.62875 416.05178
7420.0000 -113.44222 -111.01446 2.42776 1.90449 -111.24977 436.93012
7425.0000 -113.89459 -111.37169 2.52290 1.94550 -110.72320 503.48736
7430.0000 -114.30320 -111.90007 2.40313 1.85727 -111.85588 403.47282
7435.0000 -114.12374 -111.87976 2.24398 1.86709 -111.72987 423.86331
7440.0000 -114.06222 -111.91807 2.14415 1.89315 -111.39535 446.10894
7445.0000 -114.30964 -111.65110 2.65855 1.83297 -112.16794 383.07761
7450.0000 -114.67737 -112.13491 2.54246 1.86158 -111.80056 413.52448
7455.0000 -114.28770 -111.98219 2.30551 1.83264 -112.17214 383.62302
7460.0000 -113.97952 -110.86870 3.11082 1.88446 -111.50684 427.80063
7465.0000 -113.90664 -111.00922 2.89742 1.90777 -111.20766 446.24218
7470.0000 -113.12869 -110.70262 2.42607 1.93658 -110.83775 486.50834
7475.0000 -113.81450 -110.69303 3.12147 1.94329 -110.75163 478.00980
7480.0000 -113.42202 -110.96363 2.45839 1.93235 -110.89204 467.75381
7485.0000 -113.77196 -111.01552 2.75644 1.92603 -110.97323 452.00121
7490.0000 -114.03372 -111.15720 2.87651 1.91894 -111.06415 450.09965
7495.0000 -113.19374 -110.30902 2.88472 1.93312 -110.88214 473.89963
7500.0000 -114.12006 -111.03276 3.08730 1.95767 -110.56693 492.76606
FREEZING PROCESS: loop number 31 T-loop= 430.00000000000000
main_MD> interactions number 31 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.19653 5.49846 -0.21818
force_rgl> df(natom) 1.81859 0.37426 -1.14689
7505.0000 -113.73306 -111.43019 2.30287 1.91035 -111.17446 447.00134
7510.0000 -114.25902 -112.00798 2.25104 1.87809 -111.58859 426.89326
7515.0000 -113.93178 -111.81175 2.12003 1.84982 -111.95161 395.99522
7520.0000 -113.90935 -112.04490 1.86445 1.85760 -111.85175 401.34431
7525.0000 -113.37299 -111.11014 2.26285 1.87843 -111.58427 409.34333
7530.0000 -113.88890 -111.47991 2.40899 1.92516 -110.98441 468.95882
7535.0000 -114.27157 -111.02742 3.24414 1.87877 -111.57997 436.12087
7540.0000 -113.95721 -111.83217 2.12504 1.91128 -111.16250 460.27056
7545.0000 -113.59352 -110.53051 3.06301 1.92412 -110.99766 450.44684
7550.0000 -113.48547 -110.83688 2.64858 1.91741 -111.08382 458.07519
7555.0000 -114.51643 -112.10702 2.40941 1.90455 -111.24891 436.34934
7560.0000 -114.12648 -111.66242 2.46405 1.86670 -111.73490 409.25866
7565.0000 -113.98183 -111.00305 2.97878 1.89529 -111.36780 426.63008
7570.0000 -114.13182 -111.64774 2.48408 1.90273 -111.27227 427.49981
7575.0000 -114.41703 -111.64022 2.77681 1.88247 -111.53242 432.95677
7580.0000 -113.88738 -111.67645 2.21093 1.87261 -111.65896 419.66867
7585.0000 -113.86515 -111.56851 2.29664 1.86829 -111.71447 408.52639
7590.0000 -114.25670 -111.86913 2.38757 1.87454 -111.63426 421.33599
7595.0000 -113.67767 -111.06868 2.60899 1.88470 -111.50377 423.73062
7600.0000 -113.77679 -110.80895 2.96784 1.92153 -111.03097 453.69463
7605.0000 -113.49953 -110.66260 2.83693 1.93283 -110.88593 466.81610
7610.0000 -114.04094 -111.18095 2.85999 1.91181 -111.15577 449.88215
7615.0000 -114.01264 -111.51855 2.49409 1.90589 -111.23171 453.52785
7620.0000 -113.18827 -111.03363 2.15464 1.87591 -111.61665 410.94858
7625.0000 -113.60714 -110.61060 2.99654 1.91820 -111.07370 449.86849
7630.0000 -113.84300 -111.34994 2.49306 1.95218 -110.63746 502.54790
7635.0000 -114.68909 -112.11868 2.57040 1.88109 -111.55007 431.32536
7640.0000 -114.50507 -112.35628 2.14879 1.81370 -112.41529 370.15281
7645.0000 -114.03736 -111.74670 2.29065 1.83272 -112.17112 388.72212
7650.0000 -114.19479 -111.94548 2.24931 1.84567 -112.00483 393.10059
7655.0000 -114.13669 -111.74852 2.38817 1.84586 -112.00248 401.91103
7660.0000 -114.78646 -112.03842 2.74804 1.87937 -111.57219 452.79525
7665.0000 -114.76248 -112.19172 2.57076 1.82912 -112.21739 430.04887
7670.0000 -114.70880 -112.78595 1.92286 1.83387 -112.15635 423.31534
7675.0000 -114.76875 -111.88184 2.88691 1.81940 -112.34207 410.82376
7680.0000 -114.37114 -111.55502 2.81612 1.86085 -111.81002 454.15355
7685.0000 -114.84136 -111.64019 3.20118 1.84563 -112.00533 437.85126
7690.0000 -114.16639 -112.31674 1.84965 1.85604 -111.87173 447.12900
7695.0000 -114.44771 -112.53222 1.91549 1.81999 -112.33461 414.05436
7700.0000 -114.34652 -111.33891 3.00761 1.82023 -112.33151 410.06051
7705.0000 -114.44227 -111.56158 2.88069 1.89385 -111.38629 488.49073
7710.0000 -114.15691 -111.61074 2.54617 1.86340 -111.77724 449.89007
7715.0000 -114.08302 -111.51649 2.56652 1.89185 -111.41195 455.84070
7720.0000 -114.08326 -111.37791 2.70535 1.91155 -111.15914 473.41728
7725.0000 -114.94622 -112.35994 2.58628 1.88649 -111.48081 482.44062
7730.0000 -114.70283 -112.30492 2.39791 1.81124 -112.44688 404.51821
7735.0000 -114.13810 -111.92806 2.21003 1.84999 -111.94940 441.64859
7740.0000 -114.79869 -112.16654 2.63215 1.86079 -111.81080 455.37172
7745.0000 -114.91517 -112.04344 2.87173 1.82153 -112.31477 411.42441
7750.0000 -114.05326 -111.05511 2.99814 1.88331 -111.52162 472.76052
FREEZING PROCESS: loop number 32 T-loop= 405.00000000000000
main_MD> interactions number 32 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40765 -2.66567 -1.16250
force_rgl> df(natom) -1.71767 0.03983 0.35257
7755.0000 -115.11934 -112.58349 2.53585 1.84915 -111.96024 437.98829
7760.0000 -114.81695 -112.33381 2.48313 1.79190 -112.69520 382.07132
7765.0000 -114.89725 -112.43929 2.45796 1.82973 -112.20953 423.81792
7770.0000 -114.22234 -111.62184 2.60049 1.85377 -111.90090 437.81252
7775.0000 -114.75258 -112.26639 2.48618 1.86352 -111.77565 451.77411
7780.0000 -114.88122 -112.22520 2.65603 1.81688 -112.37442 402.21109
7785.0000 -114.82056 -112.03993 2.78063 1.81474 -112.40190 406.10415
7790.0000 -114.81941 -112.95590 1.86351 1.79807 -112.61602 393.48462
7795.0000 -114.58320 -112.55015 2.03305 1.77456 -112.91785 370.10549
7800.0000 -115.13430 -112.87337 2.26093 1.78639 -112.76595 372.24773
7805.0000 -115.08394 -112.71470 2.36924 1.77353 -112.93096 373.79111
7810.0000 -114.76461 -112.70766 2.05695 1.79787 -112.61852 392.33218
7815.0000 -115.27765 -112.68626 2.59139 1.79140 -112.70165 378.20355
7820.0000 -114.99357 -112.54770 2.44587 1.79796 -112.61741 394.11938
7825.0000 -114.99936 -112.73982 2.25954 1.80106 -112.57756 396.67840
7830.0000 -114.84526 -112.79410 2.05115 1.80669 -112.50525 396.25267
7835.0000 -114.22970 -111.81788 2.41182 1.81937 -112.34248 397.52963
7840.0000 -114.67535 -111.92194 2.75341 1.86483 -111.75883 439.31557
7845.0000 -114.81732 -112.59298 2.22433 1.81841 -112.35489 408.51593
7850.0000 -115.20537 -112.89746 2.30792 1.78217 -112.82009 370.46528
7855.0000 -114.96212 -112.63741 2.32471 1.78606 -112.77012 374.95553
7860.0000 -114.84279 -112.45511 2.38768 1.81118 -112.44768 408.79780
7865.0000 -114.77948 -111.88550 2.89398 1.81270 -112.42814 402.35698
7870.0000 -114.99113 -112.76397 2.22716 1.80488 -112.52857 396.40909
7875.0000 -114.43472 -112.21594 2.21879 1.80849 -112.48214 393.93671
7880.0000 -114.64200 -112.23639 2.40562 1.83781 -112.10572 430.57014
7885.0000 -113.73574 -111.18163 2.55411 1.85509 -111.88397 450.65688
7890.0000 -113.92399 -111.63143 2.29257 1.89625 -111.35548 476.12354
7895.0000 -114.18744 -111.70511 2.48233 1.85044 -111.94356 434.67652
7900.0000 -115.24138 -112.88983 2.35155 1.81571 -112.38950 414.03494
7905.0000 -114.68538 -112.12778 2.55759 1.80196 -112.56600 398.27668
7910.0000 -114.98787 -112.88413 2.10374 1.79652 -112.63586 398.86660
7915.0000 -114.75558 -112.90770 1.84788 1.79985 -112.59306 387.83945
7920.0000 -115.15471 -113.22464 1.93007 1.76462 -113.04540 360.92309
7925.0000 -114.86555 -112.59278 2.27278 1.78985 -112.72151 384.28796
7930.0000 -115.38658 -113.14639 2.24019 1.77265 -112.94237 363.77603
7935.0000 -115.18661 -112.82247 2.36413 1.76565 -113.03212 363.34990
7940.0000 -115.03201 -112.51882 2.51318 1.79101 -112.70666 382.83313
7945.0000 -115.04808 -113.00415 2.04393 1.80032 -112.58711 395.56261
7950.0000 -115.19549 -113.34512 1.85037 1.77121 -112.96083 357.18096
7955.0000 -114.97596 -112.33884 2.63712 1.80959 -112.46804 406.14001
7960.0000 -115.13427 -112.59506 2.53921 1.79898 -112.60426 401.46118
7965.0000 -115.32292 -112.84821 2.47471 1.80142 -112.57300 394.44016
7970.0000 -114.90867 -112.16153 2.74714 1.80751 -112.49476 398.54999
7975.0000 -115.27316 -112.88764 2.38552 1.79727 -112.62620 394.37474
7980.0000 -114.87450 -112.52833 2.34617 1.79674 -112.63302 394.24211
7985.0000 -115.16907 -113.05260 2.11648 1.77600 -112.89932 369.46260
7990.0000 -115.51575 -112.60566 2.91009 1.77644 -112.89362 363.30034
7995.0000 -115.31023 -112.69626 2.61397 1.80513 -112.52529 395.02982
8000.0000 -114.52812 -112.74322 1.78489 1.79212 -112.69238 381.68029
FREEZING PROCESS: loop number 33 T-loop= 380.00000000000000
main_MD> interactions number 33 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17377 2.55592 1.33650
force_rgl> df(natom) -1.47758 -1.21408 -4.36203
8005.0000 -114.66552 -111.73449 2.93104 1.82979 -112.20876 420.28986
8010.0000 -114.54462 -112.20019 2.34443 1.83711 -112.11474 429.80196
8015.0000 -115.08090 -112.60422 2.47668 1.79903 -112.60368 389.00308
8020.0000 -115.07016 -112.33464 2.73551 1.82379 -112.28582 411.09660
8025.0000 -114.45368 -111.94694 2.50673 1.83029 -112.20228 409.30019
8030.0000 -114.81683 -112.17540 2.64143 1.82641 -112.25208 420.50641
8035.0000 -115.29919 -113.12910 2.17009 1.81346 -112.41837 404.40819
8040.0000 -115.04492 -112.71255 2.33237 1.79039 -112.71460 393.58263
8045.0000 -115.42919 -113.07064 2.35855 1.78383 -112.79875 381.41517
8050.0000 -115.37717 -113.37152 2.00565 1.74368 -113.31425 336.30353
8055.0000 -115.46932 -113.54271 1.92661 1.72734 -113.52407 318.82227
8060.0000 -115.10015 -112.90692 2.19323 1.75615 -113.15408 351.78403
8065.0000 -115.00998 -112.57125 2.43873 1.78078 -112.83797 381.16066
8070.0000 -114.52627 -112.57567 1.95060 1.79269 -112.68497 392.61867
8075.0000 -115.02614 -112.42141 2.60473 1.78717 -112.75594 367.22811
8080.0000 -115.09355 -112.49263 2.60092 1.81127 -112.44647 377.24369
8085.0000 -115.25159 -113.09855 2.15305 1.78901 -112.73233 378.45255
8090.0000 -115.00557 -112.78535 2.22022 1.77435 -112.92044 374.15607
8095.0000 -114.50767 -111.70094 2.80673 1.82670 -112.24845 420.67851
8100.0000 -115.34136 -113.46643 1.87493 1.79370 -112.67203 387.42315
8105.0000 -114.84379 -113.04232 1.80147 1.75409 -113.18054 347.87355
8110.0000 -115.07440 -113.01454 2.05986 1.77853 -112.86684 372.52458
8115.0000 -115.19167 -113.15961 2.03206 1.78191 -112.82342 372.06017
8120.0000 -114.90391 -112.58474 2.31917 1.79484 -112.65746 384.86116
8125.0000 -114.38798 -112.05537 2.33261 1.80909 -112.47450 399.68980
8130.0000 -114.32662 -111.88885 2.43777 1.83976 -112.08068 426.77150
8135.0000 -114.50975 -112.27745 2.23230 1.82362 -112.28791 414.07585
8140.0000 -115.21360 -112.51138 2.70222 1.81769 -112.36401 404.43711
8145.0000 -113.91859 -111.82129 2.09730 1.84042 -112.07224 426.05388
8150.0000 -114.81609 -112.56665 2.24944 1.82433 -112.27880 413.54598
8155.0000 -114.84492 -111.84620 2.99872 1.81934 -112.34294 410.89906
8160.0000 -115.03216 -112.63533 2.39683 1.83375 -112.15785 423.88551
8165.0000 -115.09020 -113.03992 2.05027 1.78567 -112.77514 380.59083
8170.0000 -114.97051 -112.78502 2.18549 1.77090 -112.96472 364.11817
8175.0000 -115.18893 -113.14179 2.04714 1.77635 -112.89476 370.79204
8180.0000 -115.50619 -113.39676 2.10943 1.75990 -113.10597 357.04951
8185.0000 -114.89818 -112.99311 1.90506 1.76255 -113.07194 359.57901
8190.0000 -115.04371 -113.04245 2.00126 1.76385 -113.05528 354.02831
8195.0000 -114.95930 -113.30239 1.65692 1.75285 -113.19649 345.13747
8200.0000 -114.98097 -112.50184 2.47913 1.79443 -112.66265 385.55226
8205.0000 -115.39064 -113.56409 1.82656 1.77990 -112.84923 374.69529
8210.0000 -115.10317 -112.96824 2.13493 1.75057 -113.22572 343.00516
8215.0000 -114.63348 -112.94404 1.68943 1.75464 -113.17351 346.08897
8220.0000 -114.70242 -112.46896 2.23347 1.79533 -112.65109 391.36842
8225.0000 -114.75147 -111.95646 2.79502 1.84344 -112.03354 431.10137
8230.0000 -114.29007 -111.80977 2.48031 1.84470 -112.01727 440.38205
8235.0000 -114.92278 -112.52884 2.39394 1.82902 -112.21866 412.96613
8240.0000 -114.47617 -111.89522 2.58095 1.83059 -112.19851 425.18646
8245.0000 -114.71526 -112.02592 2.68934 1.86244 -111.78950 451.23769
8250.0000 -115.03150 -112.66327 2.36823 1.79762 -112.62175 392.98740
FREEZING PROCESS: loop number 34 T-loop= 355.00000000000000
main_MD> interactions number 34 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35351 0.90371 1.78249
force_rgl> df(natom) -1.96008 -1.21502 2.42954
8255.0000 -115.43976 -113.69693 1.74284 1.76341 -113.06087 361.24028
8260.0000 -115.17085 -112.93427 2.23657 1.76217 -113.07690 355.37851
8265.0000 -115.05803 -113.04172 2.01631 1.77740 -112.88137 378.69325
8270.0000 -114.81135 -112.40767 2.40368 1.78774 -112.74861 387.13937
8275.0000 -114.78861 -112.55424 2.23437 1.82258 -112.30124 404.90383
8280.0000 -114.72271 -111.93053 2.79218 1.82904 -112.21832 418.23866
8285.0000 -114.77200 -112.58468 2.18732 1.81476 -112.40169 406.31466
8290.0000 -115.22442 -113.09535 2.12907 1.77924 -112.85775 374.22281
8295.0000 -115.30401 -113.17387 2.13013 1.74745 -113.26588 348.29688
8300.0000 -115.56465 -113.50726 2.05739 1.72713 -113.52676 332.19758
8305.0000 -114.74998 -112.52870 2.22128 1.77655 -112.89223 368.80056
8310.0000 -115.34853 -113.21651 2.13203 1.74988 -113.23468 340.34555
8315.0000 -115.73050 -113.58833 2.14217 1.71997 -113.61868 310.64884
8320.0000 -115.48177 -113.68102 1.80074 1.73349 -113.44505 323.22522
8325.0000 -115.16943 -113.27154 1.89789 1.73117 -113.47482 319.56969
8330.0000 -115.29396 -113.16513 2.12883 1.77335 -112.93333 361.04131
8335.0000 -115.18220 -112.90561 2.27659 1.78529 -112.78007 380.09151
8340.0000 -115.08110 -113.19429 1.88682 1.76616 -113.02565 360.79080
8345.0000 -114.97780 -113.05949 1.91831 1.76602 -113.02740 355.72678
8350.0000 -115.02894 -113.14323 1.88571 1.76609 -113.02654 362.64968
8355.0000 -115.01980 -113.02494 1.99485 1.76686 -113.01662 348.34470
8360.0000 -115.51524 -113.67623 1.83901 1.74035 -113.35697 337.97921
8365.0000 -115.41754 -112.52551 2.89203 1.75274 -113.19794 345.69849
8370.0000 -114.70346 -112.83475 1.86872 1.80382 -112.54211 396.94878
8375.0000 -115.56311 -113.20235 2.36076 1.77008 -112.97536 363.59133
8380.0000 -115.33809 -113.32414 2.01394 1.74785 -113.26076 341.39650
8385.0000 -114.86549 -112.82425 2.04123 1.75961 -113.10970 356.81973
8390.0000 -114.63297 -112.11573 2.51724 1.78958 -112.72497 388.17253
8395.0000 -114.84140 -112.82910 2.01230 1.82029 -112.33074 411.41143
8400.0000 -115.18285 -113.12491 2.05794 1.75866 -113.12188 341.95559
8405.0000 -115.01210 -112.88001 2.13209 1.74211 -113.33434 339.24968
8410.0000 -115.32202 -113.10955 2.21247 1.77929 -112.85700 372.30221
8415.0000 -114.97850 -112.65297 2.32552 1.77890 -112.86209 373.17315
8420.0000 -115.22052 -113.07408 2.14644 1.76638 -113.02286 358.72443
8425.0000 -114.72877 -112.78216 1.94661 1.78628 -112.76736 375.85014
8430.0000 -114.66940 -111.89488 2.77452 1.79696 -112.63025 385.63696
8435.0000 -114.77203 -112.89272 1.87931 1.83119 -112.19076 422.19878
8440.0000 -115.03831 -112.97927 2.05904 1.77738 -112.88163 372.09294
8445.0000 -115.10102 -112.42350 2.67752 1.77732 -112.88239 369.06487
8450.0000 -115.46063 -113.38849 2.07214 1.79415 -112.66628 387.00144
8455.0000 -115.49359 -113.40171 2.09188 1.72967 -113.49408 324.52126
8460.0000 -115.37707 -113.23702 2.14005 1.73244 -113.45851 326.21794
8465.0000 -115.77443 -113.73380 2.04062 1.74065 -113.35318 336.62894
8470.0000 -115.47333 -113.52465 1.94868 1.72079 -113.60809 317.43220
8475.0000 -115.19995 -112.80778 2.39217 1.76658 -113.02023 363.28824
8480.0000 -115.05773 -113.02532 2.03241 1.78094 -112.83582 376.52544
8485.0000 -115.42646 -113.35296 2.07350 1.74584 -113.28652 337.83071
8490.0000 -115.08242 -113.26169 1.82073 1.74903 -113.24553 340.15970
8495.0000 -115.08896 -113.31530 1.77366 1.75903 -113.11717 347.19073
8500.0000 -115.44745 -113.33741 2.11004 1.74145 -113.34287 335.47512
FREEZING PROCESS: loop number 35 T-loop= 330.00000000000000
main_MD> interactions number 35 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50944 -1.54071 -0.81963
force_rgl> df(natom) 1.81284 5.31296 -1.07741
8505.0000 -115.37404 -113.21799 2.15604 1.74689 -113.27299 338.82500
8510.0000 -114.76638 -112.62286 2.14352 1.74515 -113.29540 338.27926
8515.0000 -115.13120 -112.82351 2.30768 1.79411 -112.66676 385.32365
8520.0000 -115.17726 -112.80611 2.37114 1.76164 -113.08366 356.70275
8525.0000 -115.21851 -113.29929 1.91922 1.77369 -112.92895 369.60338
8530.0000 -115.35423 -113.58501 1.76921 1.73792 -113.38823 327.50430
8535.0000 -115.76567 -113.60463 2.16104 1.72828 -113.51195 325.20214
8540.0000 -115.00104 -112.88232 2.11872 1.76582 -113.02995 364.55958
8545.0000 -115.20629 -113.12545 2.08085 1.76626 -113.02433 361.60402
8550.0000 -114.91696 -112.49126 2.42569 1.78010 -112.84661 374.21493
8555.0000 -115.58737 -113.02877 2.55860 1.79781 -112.61928 389.38626
8560.0000 -115.21538 -113.27980 1.93558 1.75879 -113.12021 350.20959
8565.0000 -115.48612 -113.44320 2.04292 1.75547 -113.16293 355.81808
8570.0000 -115.48916 -113.73692 1.75225 1.72037 -113.61348 318.80799
8575.0000 -115.45202 -113.50650 1.94551 1.70536 -113.80624 304.87073
8580.0000 -115.69055 -113.76465 1.92590 1.70040 -113.86987 295.39958
8585.0000 -115.19979 -113.48106 1.71873 1.72334 -113.57537 322.15848
8590.0000 -115.30008 -113.33024 1.96983 1.74554 -113.29034 339.85740
8595.0000 -114.57886 -112.41333 2.16553 1.75356 -113.18735 346.36539
8600.0000 -115.11368 -112.99823 2.11545 1.78146 -112.82915 371.91656
8605.0000 -115.49752 -113.85703 1.64049 1.73653 -113.40604 333.71346
8610.0000 -115.76271 -113.49712 2.26559 1.69519 -113.93672 291.53601
8615.0000 -115.55676 -113.28730 2.26947 1.72477 -113.55706 322.53895
8620.0000 -115.58309 -113.84364 1.73945 1.72806 -113.51473 320.52850
8625.0000 -115.38210 -113.63608 1.74602 1.73341 -113.44607 322.82519
8630.0000 -115.43798 -113.63903 1.79895 1.72150 -113.59895 314.07563
8635.0000 -115.64907 -113.93164 1.71743 1.70170 -113.85323 298.87143
8640.0000 -115.24632 -113.48704 1.75928 1.71629 -113.66582 315.44243
8645.0000 -115.16190 -113.37793 1.78397 1.72665 -113.53293 322.06330
8650.0000 -115.48244 -113.63018 1.85227 1.70959 -113.75187 307.28689
8655.0000 -115.48907 -113.86411 1.62496 1.72697 -113.52881 320.61023
8660.0000 -115.43000 -113.76521 1.66479 1.69475 -113.94235 288.42064
8665.0000 -115.42038 -113.37997 2.04041 1.73313 -113.44973 325.50899
8670.0000 -115.51725 -114.06275 1.45450 1.71197 -113.72131 307.29915
8675.0000 -115.51765 -113.22788 2.28977 1.71310 -113.70689 304.00640
8680.0000 -115.05933 -113.30066 1.75867 1.74962 -113.23800 347.02638
8685.0000 -115.80725 -113.90892 1.89833 1.73252 -113.45756 323.91389
8690.0000 -115.35990 -113.29141 2.06849 1.72036 -113.61363 311.71295
8695.0000 -115.30081 -113.29297 2.00784 1.75404 -113.18118 342.70778
8700.0000 -115.60363 -113.51624 2.08740 1.72848 -113.50932 317.67514
8705.0000 -115.40071 -113.32832 2.07239 1.73984 -113.36350 329.76672
8710.0000 -115.30652 -113.13939 2.16713 1.74576 -113.28754 337.10295
8715.0000 -115.05530 -113.17415 1.88116 1.75163 -113.21222 343.30542
8720.0000 -115.01778 -113.10668 1.91110 1.77656 -112.89206 368.88948
8725.0000 -115.59458 -113.67358 1.92100 1.72834 -113.51120 322.90306
8730.0000 -115.73578 -113.75277 1.98301 1.72395 -113.56748 319.29781
8735.0000 -115.36148 -113.55064 1.81084 1.72942 -113.49729 321.76450
8740.0000 -115.17804 -113.13014 2.04790 1.73702 -113.39974 330.11936
8745.0000 -115.31432 -113.68900 1.62532 1.73369 -113.44250 331.22517
8750.0000 -115.18003 -113.17626 2.00377 1.74350 -113.31650 334.11890
FREEZING PROCESS: loop number 36 T-loop= 305.00000000000000
main_MD> interactions number 36 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25695 0.12494 1.12655
force_rgl> df(natom) 1.55616 1.77958 0.30175
8755.0000 -115.24967 -113.33734 1.91234 1.76274 -113.06950 352.25442
8760.0000 -115.48842 -113.88345 1.60497 1.71243 -113.71549 308.29673
8765.0000 -115.47191 -113.44112 2.03079 1.70983 -113.74874 302.69043
8770.0000 -115.23060 -113.22081 2.00978 1.73953 -113.36756 327.70701
8775.0000 -115.20050 -113.09084 2.10966 1.76766 -113.00634 361.20626
8780.0000 -115.12940 -113.41099 1.71841 1.75256 -113.20020 341.84612
8785.0000 -115.43694 -113.72018 1.71676 1.72978 -113.49263 329.72074
8790.0000 -115.31680 -113.68627 1.63053 1.72150 -113.59901 314.96866
8795.0000 -115.93724 -114.15700 1.78024 1.71289 -113.70954 305.50242
8800.0000 -115.93792 -114.48240 1.45552 1.65891 -114.40254 252.13517
8805.0000 -115.27288 -113.77924 1.49364 1.67895 -114.14519 275.80403
8810.0000 -115.66660 -113.69933 1.96727 1.70940 -113.75434 300.32467
8815.0000 -115.54094 -113.55939 1.98156 1.71152 -113.72713 305.95489
8820.0000 -115.28251 -113.54897 1.73353 1.70077 -113.86510 294.13667
8825.0000 -115.13424 -113.58959 1.54465 1.71375 -113.69853 307.38592
8830.0000 -115.72722 -113.35951 2.36771 1.73301 -113.45117 324.63334
8835.0000 -115.67069 -113.81155 1.85914 1.73025 -113.48659 332.85902
8840.0000 -115.11773 -113.40437 1.71336 1.72381 -113.56937 321.86515
8845.0000 -115.22423 -113.08630 2.13793 1.73470 -113.42948 333.60775
8850.0000 -115.37286 -113.46030 1.91256 1.73673 -113.40343 326.66863
8855.0000 -115.31257 -113.36331 1.94926 1.72508 -113.55297 320.58941
8860.0000 -115.35938 -113.29445 2.06494 1.73516 -113.42364 331.37435
8865.0000 -115.50307 -113.56474 1.93832 1.72174 -113.59584 322.22655
8870.0000 -115.41346 -113.46535 1.94811 1.72722 -113.52555 324.54275
8875.0000 -115.31377 -113.00086 2.31291 1.74236 -113.33120 331.08769
8880.0000 -115.41235 -113.38933 2.02301 1.72981 -113.49230 318.93864
8885.0000 -115.41316 -113.64581 1.76735 1.72565 -113.54571 315.79914
8890.0000 -115.69280 -113.56753 2.12527 1.71530 -113.67852 314.17561
8895.0000 -115.82048 -114.16845 1.65203 1.68848 -114.02294 282.41169
8900.0000 -115.67974 -114.37110 1.30864 1.66951 -114.26639 260.42543
8905.0000 -115.80669 -114.37269 1.43401 1.65680 -114.42968 248.60918
8910.0000 -115.84621 -114.23685 1.60936 1.67061 -114.25232 262.45075
8915.0000 -115.87052 -114.41937 1.45115 1.67904 -114.14410 268.90405
8920.0000 -115.57141 -113.36782 2.20359 1.70734 -113.78077 303.89331
8925.0000 -115.22754 -113.39690 1.83064 1.73716 -113.39800 331.92601
8930.0000 -115.32613 -113.54708 1.77905 1.74994 -113.23382 348.18107
8935.0000 -115.61789 -113.82543 1.79246 1.70297 -113.83691 287.85863
8940.0000 -115.69430 -114.14268 1.55162 1.71165 -113.72542 299.91542
8945.0000 -116.44204 -114.98202 1.46002 1.64910 -114.52848 239.54462
8950.0000 -115.83554 -114.34989 1.48565 1.65066 -114.50840 244.88451
8955.0000 -115.80256 -114.17664 1.62592 1.68327 -114.08984 281.98222
8960.0000 -115.43207 -113.80665 1.62543 1.69264 -113.96948 284.68727
8965.0000 -115.48919 -113.94581 1.54338 1.69500 -113.93920 290.24104
8970.0000 -115.29395 -113.21679 2.07716 1.74270 -113.32683 330.68802
8975.0000 -115.31044 -113.41656 1.89388 1.72888 -113.50426 329.70762
8980.0000 -115.36121 -113.40246 1.95874 1.72994 -113.49068 320.08108
8985.0000 -115.19282 -113.38374 1.80908 1.74834 -113.25446 341.70423
8990.0000 -116.01054 -113.66967 2.34087 1.72634 -113.53679 320.83599
8995.0000 -115.79294 -113.97966 1.81329 1.69526 -113.93580 296.59608
9000.0000 -115.31726 -113.64668 1.67058 1.70851 -113.76581 304.79738
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 8 [min], 26.6144407 [s].
main_MD> Deallocating global variables
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