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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_100/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_100.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 = 100 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 100 10000
main_MD> Size of nv and nvoiz: 100 10000
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 = 100
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> 0.12216169385952554 6.7209059141165706E-002 -3.5653648526169660E-002 initial drift of cluster / NP1 for coalescence
init> 0.31828691391655162 0.32529347683987486 0.30446886850400889 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7837585142496124E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05624 -1.06065 -0.92722
force_rgl> df(natom) 2.24230 -3.60342 3.84442
preparo> THERMALIZATION PROCESS AT 1239.0911950292104
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -219.98705057997162 17.618882329735857 -237.60593290970749 7.2933378120699252E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1217.0000000000000
main_MD> interactions number 1 at Temperature= 1217.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13411 2.08640 1.31589
force_rgl> df(natom) -1.19380 -2.41905 -2.92609
5.0000 -234.80294 -219.40469 15.39825 3.45202 -220.62853 1254.83552
10.0000 -235.30827 -217.18119 18.12708 3.50943 -219.39158 1296.24484
15.0000 -236.94153 -220.78353 16.15799 3.47648 -220.10148 1254.68513
20.0000 -237.09599 -220.11622 16.97977 3.46760 -220.29285 1262.32239
25.0000 -234.52053 -218.54647 15.97406 3.49026 -219.80453 1299.96618
30.0000 -237.14156 -220.31615 16.82540 3.56321 -218.23295 1317.93472
35.0000 -237.70506 -222.03169 15.67336 3.43162 -221.06790 1241.66846
40.0000 -237.00049 -220.88412 16.11637 3.38077 -222.16354 1221.08453
45.0000 -236.20357 -221.71906 14.48451 3.42719 -221.16351 1224.59650
50.0000 -234.83948 -220.65196 14.18752 3.48700 -219.87495 1283.52416
55.0000 -238.55851 -221.77006 16.78845 3.35895 -222.63362 1203.66254
60.0000 -235.40533 -219.51141 15.89391 3.46803 -220.28366 1265.47028
65.0000 -238.13585 -221.47179 16.66406 3.46265 -220.39942 1233.68708
70.0000 -237.22642 -220.15829 17.06812 3.42249 -221.26479 1232.62336
75.0000 -237.51610 -221.48179 16.03432 3.45706 -220.51985 1256.48265
80.0000 -236.18148 -220.53777 15.64371 3.42407 -221.23060 1259.82426
85.0000 -236.95445 -221.80126 15.15318 3.43639 -220.96528 1264.86231
90.0000 -238.54528 -222.34499 16.20029 3.47704 -220.08945 1290.70765
95.0000 -238.04011 -222.17560 15.86450 3.33278 -223.19752 1197.47048
100.0000 -235.59154 -218.96824 16.62331 3.37606 -222.26499 1188.51455
105.0000 -236.70181 -220.72180 15.98001 3.51035 -219.37190 1275.97158
110.0000 -236.64328 -219.74118 16.90210 3.50938 -219.39263 1290.30878
115.0000 -237.83872 -221.14045 16.69827 3.42501 -221.21035 1233.96815
120.0000 -237.53421 -221.09176 16.44246 3.41223 -221.48576 1208.93460
125.0000 -234.71249 -218.26994 16.44255 3.53149 -218.91636 1316.92165
130.0000 -237.15752 -221.35896 15.79856 3.47386 -220.15789 1256.57509
135.0000 -237.73267 -223.95941 13.77326 3.35051 -222.81555 1162.27258
140.0000 -239.03414 -223.04352 15.99062 3.30353 -223.82754 1177.10390
145.0000 -236.22728 -220.96646 15.26082 3.25744 -224.82048 1151.97843
150.0000 -240.84062 -225.90619 14.93443 3.29529 -224.00512 1182.41625
155.0000 -238.32647 -224.24876 14.07771 3.26270 -224.70718 1169.80330
160.0000 -238.36456 -220.74015 17.62441 3.39920 -221.76640 1236.30640
165.0000 -235.25735 -220.66567 14.59168 3.41836 -221.35361 1240.09744
170.0000 -236.66627 -220.12565 16.54062 3.37386 -222.31231 1189.63619
175.0000 -236.94031 -221.59514 15.34517 3.40820 -221.57248 1218.89744
180.0000 -240.26047 -222.80898 17.45149 3.35248 -222.77294 1194.58432
185.0000 -237.03619 -220.11873 16.91746 3.41167 -221.49781 1215.35098
190.0000 -236.75890 -220.68077 16.07813 3.38278 -222.12032 1197.04277
195.0000 -238.38275 -219.73698 18.64577 3.48889 -219.83417 1287.88494
200.0000 -234.83685 -217.94812 16.88873 3.51554 -219.26008 1288.60940
205.0000 -237.63914 -221.55674 16.08240 3.52413 -219.07486 1301.81145
210.0000 -237.96023 -222.42332 15.53691 3.45501 -220.56413 1263.01558
215.0000 -238.91294 -223.77279 15.14015 3.28460 -224.23534 1130.67657
220.0000 -235.57379 -220.16645 15.40734 3.36969 -222.40220 1213.38210
225.0000 -237.93191 -219.56334 18.36857 3.52421 -219.07326 1311.47222
230.0000 -236.96088 -221.44958 15.51130 3.44152 -220.85480 1228.82034
235.0000 -236.63809 -219.96660 16.67149 3.43519 -220.99100 1257.61433
240.0000 -237.21856 -221.99347 15.22510 3.38741 -222.02038 1255.29232
245.0000 -238.32349 -221.35806 16.96543 3.39499 -221.85713 1227.23526
250.0000 -236.66109 -219.76954 16.89155 3.41600 -221.40461 1234.93603
FREEZING PROCESS: loop number 2 T-loop= 1192.0000000000000
main_MD> interactions number 2 at Temperature= 1192.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.29484 -0.41218 1.52345
force_rgl> df(natom) -1.56693 1.23118 2.19048
255.0000 -237.68782 -223.61518 14.07264 3.38343 -222.10612 1202.57880
260.0000 -239.52420 -224.64610 14.87809 3.32605 -223.34237 1194.72219
265.0000 -240.64283 -225.75471 14.88812 3.31201 -223.64492 1181.36615
270.0000 -236.92554 -220.04670 16.87885 3.33148 -223.22536 1170.70424
275.0000 -239.77915 -223.55605 16.22310 3.36362 -222.53307 1205.14268
280.0000 -236.57252 -222.65195 13.92057 3.37513 -222.28503 1223.51594
285.0000 -238.73512 -223.70737 15.02775 3.35346 -222.75189 1199.88689
290.0000 -240.30085 -225.13147 15.16938 3.29030 -224.11264 1158.75599
295.0000 -238.74428 -222.74164 16.00264 3.32324 -223.40287 1151.14860
300.0000 -238.70343 -223.04860 15.65483 3.36970 -222.40192 1204.77955
305.0000 -239.12237 -223.35358 15.76879 3.34396 -222.95651 1184.83622
310.0000 -239.01125 -224.03651 14.97474 3.32419 -223.38259 1172.69489
315.0000 -237.70552 -224.16635 13.53917 3.34394 -222.95710 1190.22916
320.0000 -239.55074 -222.73900 16.81174 3.26656 -224.62408 1155.23279
325.0000 -236.77698 -221.65892 15.11806 3.36698 -222.46061 1225.43347
330.0000 -234.82394 -220.96266 13.86128 3.39308 -221.89830 1201.62823
335.0000 -237.90705 -221.93551 15.97154 3.42313 -221.25083 1248.69135
340.0000 -242.14554 -225.63678 16.50876 3.32724 -223.31681 1220.94034
345.0000 -241.36057 -227.92237 13.43820 3.14258 -227.29526 1080.94766
350.0000 -238.97046 -224.27671 14.69375 3.17282 -226.64365 1075.27610
355.0000 -239.68529 -225.98851 13.69677 3.27992 -224.33629 1148.42821
360.0000 -239.90749 -225.52321 14.38428 3.27016 -224.54660 1175.65724
365.0000 -241.75294 -227.81854 13.93440 3.21293 -225.77953 1104.90266
370.0000 -239.84793 -225.82978 14.01815 3.16106 -226.89703 1098.95184
375.0000 -240.34106 -224.79110 15.54996 3.23934 -225.21045 1133.31008
380.0000 -239.13153 -223.32144 15.81009 3.32507 -223.36354 1172.28093
385.0000 -238.01838 -221.56601 16.45237 3.38237 -222.12911 1203.73314
390.0000 -234.82400 -220.30973 14.51427 3.37174 -222.35808 1195.25134
395.0000 -238.29510 -223.62620 14.66889 3.37929 -222.19551 1219.30012
400.0000 -238.68875 -221.95245 16.73630 3.29080 -224.10181 1162.69502
405.0000 -238.99829 -221.45708 17.54121 3.42504 -221.20966 1208.99691
410.0000 -236.68247 -222.85193 13.83054 3.36761 -222.44709 1199.03455
415.0000 -239.68327 -223.63788 16.04539 3.32608 -223.34183 1200.19596
420.0000 -237.39865 -221.63393 15.76472 3.39292 -221.90183 1210.77778
425.0000 -235.97177 -219.42103 16.55074 3.49788 -219.64048 1273.55856
430.0000 -234.73014 -219.66562 15.06453 3.49684 -219.66292 1331.85992
435.0000 -236.75783 -219.53403 17.22380 3.46686 -220.30872 1248.77337
440.0000 -237.32236 -220.23444 17.08793 3.48713 -219.87208 1269.93573
445.0000 -235.60933 -220.14994 15.45939 3.49288 -219.74812 1289.24095
450.0000 -238.24162 -223.11657 15.12506 3.44798 -220.71548 1257.46950
455.0000 -238.35574 -221.04386 17.31188 3.40799 -221.57711 1229.85376
460.0000 -238.26673 -221.80936 16.45737 3.43082 -221.08522 1241.11168
465.0000 -237.29794 -221.80643 15.49151 3.37249 -222.34182 1214.00910
470.0000 -238.56977 -222.14997 16.41980 3.35704 -222.67480 1179.94208
475.0000 -237.83121 -223.83189 13.99932 3.34433 -222.94860 1194.45536
480.0000 -239.70452 -224.98199 14.72253 3.36265 -222.55387 1175.15006
485.0000 -239.05356 -225.45037 13.60319 3.24631 -225.06042 1120.71560
490.0000 -236.66491 -221.80827 14.85664 3.32849 -223.28978 1174.70562
495.0000 -237.59878 -219.59477 18.00401 3.41675 -221.38844 1203.76346
500.0000 -236.35738 -222.00028 14.35710 3.46767 -220.29136 1263.24345
FREEZING PROCESS: loop number 3 T-loop= 1167.0000000000000
main_MD> interactions number 3 at Temperature= 1167.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32492 1.28864 0.63982
force_rgl> df(natom) 0.29738 -3.44312 -2.52181
505.0000 -237.35121 -219.80843 17.54278 3.51879 -219.18997 1307.51118
510.0000 -240.48852 -227.04024 13.44828 3.33224 -223.20910 1184.19653
515.0000 -240.77166 -224.62560 16.14606 3.22594 -225.49917 1134.32744
520.0000 -238.38672 -220.84525 17.54147 3.37101 -222.37378 1219.77111
525.0000 -238.49532 -221.24772 17.24760 3.33460 -223.15816 1203.35521
530.0000 -238.87550 -225.07887 13.79662 3.35698 -222.67603 1201.80253
535.0000 -237.27992 -223.26680 14.01312 3.29632 -223.98303 1166.35341
540.0000 -238.45365 -222.19391 16.25974 3.37111 -222.37170 1206.11753
545.0000 -236.11308 -220.27578 15.83730 3.42037 -221.31035 1234.46251
550.0000 -237.15464 -221.68241 15.47223 3.41993 -221.31986 1211.81608
555.0000 -239.18349 -222.97763 16.20587 3.41227 -221.48481 1243.71265
560.0000 -237.80837 -222.59819 15.21019 3.29012 -224.11641 1171.45401
565.0000 -239.88487 -225.60448 14.28038 3.27071 -224.53478 1151.29031
570.0000 -237.42844 -221.68394 15.74450 3.25904 -224.78614 1139.35903
575.0000 -238.62146 -221.66673 16.95473 3.40440 -221.65441 1247.34014
580.0000 -237.40917 -221.84583 15.56335 3.40228 -221.70011 1219.62549
585.0000 -236.91878 -221.18904 15.72974 3.38879 -221.99078 1190.44171
590.0000 -239.05775 -223.42667 15.63107 3.38561 -222.05922 1177.95897
595.0000 -239.22454 -222.23207 16.99246 3.25475 -224.87847 1160.08285
600.0000 -240.48704 -226.70877 13.77827 3.35302 -222.76141 1216.79002
605.0000 -239.37941 -222.85941 16.52000 3.22146 -225.59584 1123.31536
610.0000 -239.84392 -224.68283 15.16109 3.26475 -224.66302 1151.84477
615.0000 -235.25326 -221.07793 14.17533 3.37818 -222.21926 1229.42193
620.0000 -239.12654 -222.69672 16.42983 3.41846 -221.35156 1206.46587
625.0000 -238.30457 -222.29781 16.00676 3.30969 -223.69482 1143.34938
630.0000 -236.57385 -221.39491 15.17894 3.37908 -222.19990 1198.81281
635.0000 -236.74567 -221.37905 15.36662 3.37160 -222.36114 1217.25987
640.0000 -238.10794 -223.13805 14.96989 3.41067 -221.51940 1235.12838
645.0000 -240.12407 -222.92925 17.19483 3.29054 -224.10740 1156.65614
650.0000 -239.19432 -222.05468 17.13964 3.29232 -224.06912 1158.58172
655.0000 -237.91359 -222.69689 15.21671 3.40009 -221.74731 1219.69062
660.0000 -239.92779 -223.80576 16.12203 3.30890 -223.71181 1151.70530
665.0000 -239.42622 -224.45681 14.96941 3.28811 -224.15983 1164.22824
670.0000 -234.83154 -221.14567 13.68587 3.33519 -223.14560 1191.33096
675.0000 -237.63821 -222.78570 14.85251 3.45856 -220.48767 1227.40583
680.0000 -239.09899 -223.36719 15.73180 3.42610 -221.18695 1238.99875
685.0000 -239.49050 -225.14665 14.34385 3.19613 -226.14141 1115.45186
690.0000 -238.23616 -222.83592 15.40024 3.28462 -224.23498 1162.24515
695.0000 -237.72496 -221.55414 16.17082 3.38878 -221.99099 1223.39098
700.0000 -240.64619 -224.09585 16.55034 3.34202 -222.99832 1170.78693
705.0000 -239.70056 -224.10354 15.59702 3.29249 -224.06548 1159.67400
710.0000 -240.97143 -226.31063 14.66080 3.24185 -225.15652 1149.26682
715.0000 -239.68291 -226.00462 13.67829 3.18528 -226.37531 1075.27186
720.0000 -240.94980 -228.40432 12.54548 3.21502 -225.73457 1118.07956
725.0000 -240.28165 -226.65367 13.62798 3.17765 -226.53952 1106.74490
730.0000 -239.77387 -225.37995 14.39391 3.21430 -225.75000 1114.17952
735.0000 -241.86104 -225.59262 16.26842 3.15785 -226.96625 1108.48786
740.0000 -238.13411 -220.96478 17.16933 3.34208 -222.99715 1200.72117
745.0000 -238.57779 -223.55833 15.01945 3.35507 -222.71723 1161.80563
750.0000 -237.99207 -222.41658 15.57550 3.33335 -223.18505 1175.93910
FREEZING PROCESS: loop number 4 T-loop= 1142.0000000000000
main_MD> interactions number 4 at Temperature= 1142.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79276 3.96348 2.16772
force_rgl> df(natom) 3.94596 -0.65243 -7.61159
755.0000 -239.96122 -226.78613 13.17509 3.23975 -225.20167 1127.82723
760.0000 -239.13806 -225.39388 13.74418 3.20274 -225.99895 1082.86166
765.0000 -238.65463 -224.34767 14.30696 3.24392 -225.11186 1137.62159
770.0000 -238.91794 -225.80391 13.11403 3.21960 -225.63579 1112.69335
775.0000 -238.69645 -223.94501 14.75144 3.29156 -224.08552 1136.99265
780.0000 -238.88824 -225.50593 13.38231 3.23048 -225.40138 1085.77092
785.0000 -239.39496 -222.51797 16.87699 3.30156 -223.86999 1151.45244
790.0000 -236.38506 -219.65110 16.73396 3.44527 -220.77400 1277.04966
795.0000 -239.12226 -224.00986 15.11240 3.40958 -221.54284 1219.48470
800.0000 -240.50475 -225.81571 14.68904 3.27126 -224.52277 1147.20041
805.0000 -241.33604 -227.97057 13.36546 3.21725 -225.68655 1098.51112
810.0000 -240.30369 -227.69394 12.60975 3.09399 -228.34195 1045.42892
815.0000 -240.73387 -227.43926 13.29461 3.15574 -227.01170 1055.94616
820.0000 -241.62592 -227.10548 14.52044 3.17414 -226.61526 1093.30475
825.0000 -238.77899 -225.45159 13.32740 3.19006 -226.27232 1093.86811
830.0000 -240.56687 -224.55504 16.01182 3.23782 -225.24330 1121.51576
835.0000 -239.03108 -223.49234 15.53875 3.27547 -224.43209 1168.76308
840.0000 -238.38321 -223.10500 15.27821 3.33617 -223.12439 1188.69561
845.0000 -238.83286 -223.90476 14.92810 3.33996 -223.04267 1188.86826
850.0000 -238.97808 -224.12041 14.85767 3.32670 -223.32833 1143.93762
855.0000 -239.46528 -223.44549 16.01978 3.32245 -223.42000 1176.64019
860.0000 -240.30163 -225.92026 14.38138 3.24706 -225.04425 1145.66867
865.0000 -236.99028 -220.73559 16.25469 3.33203 -223.21351 1212.02823
870.0000 -239.47458 -223.58638 15.88820 3.42400 -221.23222 1233.63231
875.0000 -236.85281 -222.98534 13.86747 3.26398 -224.67966 1142.63929
880.0000 -240.48560 -226.40736 14.07823 3.24313 -225.12888 1149.13805
885.0000 -240.90329 -227.72154 13.18174 3.13749 -227.40473 1054.18713
890.0000 -240.16568 -223.79703 16.36865 3.24969 -224.98750 1149.34994
895.0000 -241.80102 -227.50245 14.29856 3.20573 -225.93463 1147.59122
900.0000 -242.03778 -225.54294 16.49485 3.16295 -226.85625 1077.84285
905.0000 -241.13091 -227.71213 13.41878 3.16370 -226.84007 1083.49166
910.0000 -240.43840 -227.35696 13.08144 3.13853 -227.38233 1038.71361
915.0000 -241.62983 -225.24155 16.38828 3.18356 -226.41228 1095.40952
920.0000 -240.48118 -225.67065 14.81053 3.23436 -225.31793 1121.30015
925.0000 -240.05927 -225.03856 15.02072 3.12217 -227.73480 1041.91642
930.0000 -239.59844 -222.45442 17.14402 3.32223 -223.42479 1196.98489
935.0000 -238.77957 -222.64741 16.13216 3.32561 -223.35187 1166.97284
940.0000 -238.12340 -225.05945 13.06394 3.29178 -224.08074 1165.31439
945.0000 -239.76718 -222.63681 17.13037 3.31042 -223.67926 1169.03421
950.0000 -239.46257 -224.78986 14.67271 3.35754 -222.66401 1203.29622
955.0000 -242.51361 -226.64687 15.86674 3.16228 -226.87066 1090.97377
960.0000 -239.44054 -225.08642 14.35412 3.23298 -225.34766 1116.53984
965.0000 -240.43769 -225.96400 14.47369 3.21053 -225.83128 1091.09693
970.0000 -239.30471 -222.65283 16.65188 3.32393 -223.38811 1167.31077
975.0000 -238.23999 -222.77548 15.46452 3.31736 -223.52958 1149.12228
980.0000 -237.49315 -222.18203 15.31111 3.40659 -221.60732 1209.11916
985.0000 -235.04452 -219.84760 15.19692 3.42506 -221.20930 1239.75778
990.0000 -239.05483 -222.29404 16.76078 3.40606 -221.61868 1234.90203
995.0000 -236.55385 -219.25620 17.29766 3.43926 -220.90332 1248.19452
1000.0000 -235.02759 -220.12185 14.90574 3.44577 -220.76320 1248.11801
FREEZING PROCESS: loop number 5 T-loop= 1117.0000000000000
main_MD> interactions number 5 at Temperature= 1117.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.64957 3.98387 -3.83143
force_rgl> df(natom) 0.50375 -1.82069 2.84365
1005.0000 -238.17275 -223.81001 14.36274 3.39499 -221.85712 1231.75356
1010.0000 -239.11704 -225.31173 13.80531 3.33307 -223.19123 1169.75499
1015.0000 -238.69146 -226.49964 12.19182 3.24010 -225.19412 1119.43675
1020.0000 -241.43907 -227.42881 14.01027 3.16945 -226.71621 1066.08227
1025.0000 -240.73035 -226.51039 14.21995 3.13616 -227.43353 1071.36057
1030.0000 -240.47234 -225.70065 14.77169 3.22359 -225.54983 1117.26216
1035.0000 -239.49576 -225.63000 13.86575 3.20324 -225.98823 1100.58516
1040.0000 -241.31307 -227.95478 13.35829 3.14788 -227.18099 1060.10891
1045.0000 -239.76766 -223.28697 16.48069 3.16326 -226.84953 1095.94630
1050.0000 -236.92200 -220.76060 16.16140 3.41572 -221.41044 1215.10116
1055.0000 -239.17455 -224.24050 14.93405 3.31849 -223.50527 1156.55642
1060.0000 -240.94361 -228.37310 12.57052 3.20187 -226.01776 1098.65254
1065.0000 -239.49401 -225.80378 13.69023 3.12979 -227.57077 1059.10258
1070.0000 -237.75572 -225.12306 12.63265 3.23673 -225.26667 1111.96355
1075.0000 -238.88054 -223.62633 15.25421 3.27172 -224.51298 1143.62191
1080.0000 -240.38867 -226.95523 13.43344 3.26432 -224.67234 1102.97732
1085.0000 -242.47850 -227.13526 15.34324 3.14258 -227.29520 1058.00732
1090.0000 -241.95771 -227.33541 14.62230 3.11889 -227.80550 1034.08463
1095.0000 -240.66992 -226.86762 13.80231 3.13438 -227.47188 1079.21735
1100.0000 -239.94054 -227.07748 12.86306 3.22856 -225.44281 1116.06519
1105.0000 -240.55121 -225.96367 14.58754 3.18132 -226.46056 1066.43964
1110.0000 -240.49376 -228.59908 11.89468 3.14591 -227.22347 1055.76756
1115.0000 -239.46000 -225.16600 14.29399 3.14268 -227.29304 1066.21550
1120.0000 -241.59530 -225.50417 16.09112 3.24990 -224.98295 1127.50472
1125.0000 -239.00042 -227.33957 11.66085 3.19536 -226.15800 1123.54304
1130.0000 -242.29250 -228.52030 13.77220 3.12806 -227.60796 1061.75347
1135.0000 -242.48282 -229.11757 13.36524 3.13240 -227.51454 1054.38294
1140.0000 -242.46624 -228.66380 13.80244 3.14003 -227.35008 1060.01519
1145.0000 -242.60103 -228.92243 13.67860 3.09902 -228.23365 1052.21047
1150.0000 -238.13099 -226.52500 11.60600 3.15654 -226.99434 1080.19388
1155.0000 -237.95688 -225.34162 12.61526 3.18121 -226.46283 1078.98518
1160.0000 -241.35769 -226.89347 14.46423 3.21717 -225.68812 1123.23086
1165.0000 -241.80163 -224.37278 17.42885 3.23641 -225.27357 1129.86828
1170.0000 -238.28469 -223.55181 14.73288 3.32205 -223.42859 1181.01929
1175.0000 -238.48757 -223.28181 15.20576 3.28952 -224.12945 1155.06133
1180.0000 -238.51152 -223.03928 15.47224 3.30869 -223.71633 1195.12677
1185.0000 -236.51571 -222.30226 14.21345 3.32177 -223.43464 1177.90175
1190.0000 -239.34769 -223.61482 15.73287 3.31302 -223.62315 1174.91334
1195.0000 -237.14929 -223.18424 13.96505 3.25463 -224.88103 1116.56344
1200.0000 -240.46451 -225.47981 14.98470 3.25613 -224.84873 1153.06230
1205.0000 -240.09597 -224.16299 15.93298 3.32054 -223.46111 1168.17534
1210.0000 -240.68329 -225.24506 15.43823 3.22102 -225.60533 1101.68502
1215.0000 -239.70653 -225.44459 14.26194 3.27181 -224.51107 1144.72882
1220.0000 -241.02369 -224.98330 16.04040 3.20687 -225.91002 1098.32584
1225.0000 -241.63468 -228.87032 12.76436 3.14311 -227.28385 1084.86734
1230.0000 -240.59488 -225.70943 14.88545 3.12865 -227.59531 1033.37703
1235.0000 -238.12017 -225.61695 12.50322 3.20996 -225.84346 1110.35261
1240.0000 -239.35539 -225.20196 14.15342 3.24147 -225.16459 1099.19311
1245.0000 -238.18319 -223.97289 14.21030 3.25033 -224.97386 1149.35378
1250.0000 -237.96160 -226.28114 11.68046 3.22495 -225.52046 1132.34517
FREEZING PROCESS: loop number 6 T-loop= 1092.0000000000000
main_MD> interactions number 6 at Temperature= 1092.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.00073 -1.02007 0.72255
force_rgl> df(natom) -0.87055 1.30524 0.21143
1255.0000 -239.59027 -225.84262 13.74765 3.19717 -226.11907 1061.42662
1260.0000 -240.97357 -226.77366 14.19991 3.16751 -226.75813 1075.04903
1265.0000 -240.44415 -226.28774 14.15641 3.13480 -227.46280 1055.00833
1270.0000 -241.30200 -226.38902 14.91298 3.18774 -226.32214 1111.80043
1275.0000 -242.89990 -230.06711 12.83279 3.12884 -227.59110 1092.37133
1280.0000 -242.52105 -229.03042 13.49063 3.06040 -229.06578 1041.68951
1285.0000 -240.25854 -229.34348 10.91506 3.05781 -229.12153 1025.87693
1290.0000 -242.03742 -229.52809 12.50933 3.07633 -228.72250 1019.41998
1295.0000 -241.72409 -227.72250 14.00160 3.07552 -228.73984 1001.96723
1300.0000 -241.86540 -229.36076 12.50464 3.08023 -228.63845 1008.25324
1305.0000 -241.72713 -227.30194 14.42518 3.09502 -228.31985 1013.89084
1310.0000 -241.59296 -227.63989 13.95307 3.13024 -227.56098 1064.58932
1315.0000 -242.37324 -227.54541 14.82783 3.06824 -228.89685 1040.35241
1320.0000 -238.26240 -222.76560 15.49681 3.33032 -223.25049 1200.05075
1325.0000 -239.12396 -224.60695 14.51700 3.30937 -223.70171 1146.07047
1330.0000 -240.31900 -226.01681 14.30219 3.21499 -225.73516 1095.67412
1335.0000 -238.55906 -223.96514 14.59392 3.27045 -224.54032 1133.74893
1340.0000 -238.48843 -224.39592 14.09251 3.28987 -224.12195 1158.05681
1345.0000 -240.00428 -225.23323 14.77106 3.25652 -224.84037 1127.12603
1350.0000 -241.76972 -228.32156 13.44815 3.15441 -227.04029 1048.21399
1355.0000 -241.13142 -228.51440 12.61702 3.16284 -226.85875 1066.43662
1360.0000 -240.42826 -226.11234 14.31593 3.12891 -227.58968 1066.33061
1365.0000 -240.65158 -226.37097 14.28061 3.16453 -226.82236 1095.06625
1370.0000 -239.82559 -227.08787 12.73773 3.16387 -226.83648 1058.60356
1375.0000 -241.14687 -227.30611 13.84076 3.15838 -226.95467 1080.48515
1380.0000 -241.65988 -227.37832 14.28157 3.18102 -226.46705 1101.06271
1385.0000 -243.93522 -230.54608 13.38914 3.04668 -229.36128 1009.73837
1390.0000 -241.90488 -229.31839 12.58649 2.96579 -231.10410 947.29182
1395.0000 -243.39738 -229.75164 13.64573 3.04934 -229.30391 1003.98733
1400.0000 -239.64169 -226.63475 13.00694 3.11724 -227.84115 1072.25613
1405.0000 -239.38672 -226.09681 13.28991 3.18954 -226.28347 1080.18033
1410.0000 -241.48852 -229.17164 12.31688 3.12360 -227.70407 1066.01680
1415.0000 -240.85767 -227.23500 13.62267 3.13202 -227.52259 1088.08842
1420.0000 -241.65296 -228.81441 12.83855 3.09737 -228.26924 1034.25464
1425.0000 -240.45945 -226.99708 13.46236 3.12554 -227.66233 1065.74649
1430.0000 -244.52555 -231.53551 12.99004 3.02658 -229.79437 1002.68935
1435.0000 -240.25505 -228.14228 12.11278 3.04597 -229.37665 1002.44439
1440.0000 -237.91642 -224.65900 13.25742 3.15433 -227.04204 1065.57709
1445.0000 -238.08473 -225.78534 12.29940 3.25162 -224.94595 1136.98783
1450.0000 -240.37497 -224.39090 15.98406 3.25171 -224.94407 1151.54194
1455.0000 -238.27363 -225.71236 12.56127 3.23088 -225.39288 1115.19787
1460.0000 -242.49023 -229.12053 13.36970 3.13655 -227.42512 1060.23422
1465.0000 -244.04772 -230.73091 13.31681 3.03795 -229.54932 1023.05594
1470.0000 -240.63064 -226.52138 14.10926 3.07088 -228.83979 1055.03827
1475.0000 -241.64630 -227.57651 14.06979 3.13254 -227.51144 1058.64961
1480.0000 -238.50054 -226.79693 11.70361 3.20878 -225.86901 1117.43987
1485.0000 -241.69530 -229.56572 12.12959 3.05321 -229.22056 1021.71491
1490.0000 -239.96247 -226.68519 13.27728 3.13238 -227.51489 1055.46551
1495.0000 -240.28378 -225.41415 14.86963 3.18216 -226.44250 1085.27430
1500.0000 -238.39207 -223.43669 14.95538 3.26592 -224.63779 1136.05376
FREEZING PROCESS: loop number 7 T-loop= 1067.0000000000000
main_MD> interactions number 7 at Temperature= 1067.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02114 -1.31286 0.59084
force_rgl> df(natom) -3.67335 -2.40509 5.41248
1505.0000 -239.79160 -226.84306 12.94854 3.15190 -227.09433 1068.85052
1510.0000 -240.74463 -228.07011 12.67452 3.12666 -227.63805 1074.36376
1515.0000 -242.29896 -230.32297 11.97599 3.03815 -229.54509 988.56271
1520.0000 -240.86224 -228.37280 12.48944 3.08182 -228.60410 1031.40404
1525.0000 -240.90288 -226.69453 14.20835 3.07142 -228.82832 1027.80955
1530.0000 -241.32324 -226.35668 14.96657 3.20375 -225.97736 1090.87781
1535.0000 -242.80825 -229.76073 13.04752 3.12492 -227.67554 1058.87200
1540.0000 -242.42749 -228.91023 13.51726 3.00957 -230.16082 1012.90825
1545.0000 -242.74714 -227.60925 15.13789 3.09918 -228.23009 1028.81325
1550.0000 -242.51995 -227.53790 14.98205 3.10402 -228.12593 1060.03334
1555.0000 -243.37231 -227.66449 15.70781 3.16146 -226.88844 1077.36910
1560.0000 -241.20139 -228.02030 13.18108 3.11878 -227.80794 1049.51805
1565.0000 -238.14709 -224.46809 13.67901 3.20621 -225.92425 1081.37829
1570.0000 -244.15952 -229.84769 14.31184 3.13748 -227.40495 1053.32184
1575.0000 -237.73977 -225.97306 11.76671 3.08678 -228.49724 1009.61690
1580.0000 -238.97149 -226.53962 12.43187 3.15861 -226.94983 1055.75965
1585.0000 -241.16786 -227.04129 14.12657 3.17473 -226.60243 1056.14011
1590.0000 -241.18409 -228.56714 12.61696 3.12162 -227.74672 1038.91137
1595.0000 -241.48633 -227.04880 14.43753 3.11415 -227.90773 1044.49835
1600.0000 -241.81366 -227.92280 13.89086 3.12629 -227.64611 1060.24361
1605.0000 -240.98594 -227.96905 13.01689 3.17155 -226.67101 1092.48968
1610.0000 -242.24426 -229.80732 12.43695 3.04119 -229.47964 1005.85113
1615.0000 -243.24503 -230.44486 12.80017 2.99498 -230.47522 980.44111
1620.0000 -241.27199 -228.78845 12.48354 3.09689 -228.27949 1042.16545
1625.0000 -244.53718 -230.48966 14.04752 3.03729 -229.56356 999.97877
1630.0000 -239.55832 -228.57432 10.98400 3.03585 -229.59461 1006.57161
1635.0000 -240.73886 -226.70078 14.03808 3.04456 -229.40703 981.03299
1640.0000 -241.90505 -228.88084 13.02421 3.08535 -228.52822 1039.59922
1645.0000 -242.09915 -228.63004 13.46911 3.07994 -228.64481 1037.91241
1650.0000 -242.81138 -227.04597 15.76541 3.14245 -227.29795 1089.57817
1655.0000 -241.42937 -227.33883 14.09053 3.13604 -227.43616 1072.50860
1660.0000 -240.18901 -226.18071 14.00830 3.15451 -227.03809 1053.40987
1665.0000 -239.84787 -226.73071 13.11715 3.15970 -226.92640 1070.94225
1670.0000 -238.76026 -226.62746 12.13280 3.13178 -227.52791 1067.78674
1675.0000 -240.14479 -226.22111 13.92368 3.17025 -226.69911 1070.40465
1680.0000 -241.50479 -226.32389 15.18089 3.24275 -225.13705 1104.26990
1685.0000 -240.35238 -226.44960 13.90279 3.12468 -227.68075 1085.54583
1690.0000 -242.87391 -229.57846 13.29545 3.14821 -227.17385 1072.06963
1695.0000 -238.60019 -224.62543 13.97475 3.20908 -225.86245 1104.30267
1700.0000 -238.89085 -224.22460 14.66625 3.35317 -222.75809 1194.00571
1705.0000 -242.47978 -227.88647 14.59331 3.20339 -225.98501 1102.88074
1710.0000 -241.06339 -226.11659 14.94681 3.24303 -225.13099 1119.04051
1715.0000 -242.30786 -229.71088 12.59698 3.14268 -227.29306 1074.48639
1720.0000 -241.85311 -227.53408 14.31902 3.10558 -228.09222 1049.50494
1725.0000 -244.25628 -230.35316 13.90312 3.04780 -229.33720 1031.88819
1730.0000 -238.00918 -225.57580 12.43338 3.13872 -227.37833 1078.83252
1735.0000 -240.29765 -223.95543 16.34222 3.19198 -226.23083 1079.81044
1740.0000 -239.53749 -226.22920 13.30828 3.22857 -225.44255 1077.78998
1745.0000 -239.81725 -227.15982 12.65743 3.18958 -226.28255 1072.54136
1750.0000 -240.06877 -227.74469 12.32408 3.15602 -227.00564 1081.88540
FREEZING PROCESS: loop number 8 T-loop= 1042.0000000000000
main_MD> interactions number 8 at Temperature= 1042.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51249 -3.75809 2.82139
force_rgl> df(natom) -1.06547 -0.27700 0.94763
1755.0000 -242.23439 -228.60082 13.63357 3.16205 -226.87568 1082.16881
1760.0000 -240.97977 -226.72041 14.25936 3.06527 -228.96085 1012.72469
1765.0000 -239.17788 -227.12683 12.05105 3.11297 -227.93319 1050.66673
1770.0000 -240.64958 -225.15384 15.49574 3.18027 -226.48310 1099.33918
1775.0000 -240.28183 -225.75793 14.52390 3.17539 -226.58838 1086.44940
1780.0000 -241.82334 -226.85765 14.96569 3.21936 -225.64092 1102.87193
1785.0000 -243.28053 -230.83589 12.44464 3.08700 -228.49262 1040.99942
1790.0000 -241.09059 -229.13234 11.95824 2.99523 -230.46978 980.90245
1795.0000 -238.59075 -225.99027 12.60048 3.10114 -228.18795 1035.75424
1800.0000 -240.64454 -226.84790 13.79664 3.16880 -226.73031 1099.26708
1805.0000 -240.39645 -226.90089 13.49556 3.10816 -228.03677 1058.39664
1810.0000 -240.49174 -226.44122 14.05052 3.17379 -226.62266 1080.02239
1815.0000 -242.67525 -224.11118 18.56407 3.28548 -224.21649 1149.40257
1820.0000 -238.38818 -225.09863 13.28955 3.27778 -224.38241 1136.57402
1825.0000 -243.79440 -228.40458 15.38982 3.09217 -228.38124 1049.13114
1830.0000 -239.91120 -227.42614 12.48507 3.14693 -227.20142 1049.08002
1835.0000 -241.04024 -225.40132 15.63892 3.13927 -227.36641 1053.00158
1840.0000 -241.95933 -230.12477 11.83455 3.13144 -227.53526 1056.12278
1845.0000 -244.71728 -230.80121 13.91606 3.00514 -230.25620 978.33760
1850.0000 -240.02233 -227.48945 12.53288 3.07237 -228.80772 1040.49544
1855.0000 -242.12718 -227.97968 14.14750 3.14412 -227.26205 1065.54894
1860.0000 -239.55313 -226.88445 12.66868 3.08897 -228.45006 1048.08865
1865.0000 -243.03562 -228.83216 14.20346 3.11304 -227.93161 1044.26375
1870.0000 -242.48168 -228.98356 13.49813 3.02031 -229.92943 984.21546
1875.0000 -243.11782 -231.98175 11.13607 2.96921 -231.03022 952.25973
1880.0000 -244.56420 -232.38734 12.17686 2.97271 -230.95486 1001.34017
1885.0000 -242.51385 -231.46009 11.05375 2.91662 -232.16335 931.76685
1890.0000 -242.55583 -229.44440 13.11143 2.97014 -231.01033 1010.43489
1895.0000 -242.88017 -229.99498 12.88520 3.04944 -229.30182 1036.35300
1900.0000 -239.56295 -225.72120 13.84174 3.13610 -227.43478 1064.98883
1905.0000 -241.11184 -227.67341 13.43843 3.17814 -226.52910 1079.08874
1910.0000 -242.03057 -228.99722 13.03334 3.12916 -227.58436 1038.42707
1915.0000 -243.20498 -227.35558 15.84940 3.07612 -228.72700 1014.06179
1920.0000 -241.91104 -229.55928 12.35175 3.07139 -228.82881 1043.13100
1925.0000 -242.38941 -228.54498 13.84444 3.09209 -228.38287 1029.14370
1930.0000 -239.72116 -227.30105 12.42011 3.13948 -227.36202 1079.25995
1935.0000 -243.90904 -231.44947 12.45957 3.02104 -229.91374 991.11240
1940.0000 -241.91180 -229.80147 12.11033 2.98583 -230.67229 973.29396
1945.0000 -241.97075 -230.87854 11.09221 3.00806 -230.19329 986.92703
1950.0000 -243.40259 -231.44730 11.95529 3.01994 -229.93732 1001.05027
1955.0000 -242.52040 -229.30782 13.21258 3.07883 -228.66858 1043.41994
1960.0000 -240.89368 -226.78612 14.10757 3.13252 -227.51187 1061.31402
1965.0000 -242.45038 -230.30665 12.14373 3.05273 -229.23094 1016.48366
1970.0000 -242.60851 -229.50621 13.10229 3.00677 -230.22118 965.77899
1975.0000 -243.32953 -230.17337 13.15616 2.99102 -230.56044 979.94227
1980.0000 -242.12960 -230.77568 11.35393 3.02619 -229.80265 1012.09130
1985.0000 -242.10721 -227.64154 14.46566 3.03943 -229.51740 1004.40577
1990.0000 -240.98282 -227.29638 13.68645 3.08134 -228.61451 1021.70449
1995.0000 -241.59629 -229.07934 12.51696 3.09272 -228.36936 1038.68304
2000.0000 -244.15994 -231.33571 12.82422 3.01547 -230.03374 984.05071
FREEZING PROCESS: loop number 9 T-loop= 1017.0000000000000
main_MD> interactions number 9 at Temperature= 1017.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79260 -4.61640 3.42463
force_rgl> df(natom) -0.78649 0.29111 2.72401
2005.0000 -241.11996 -229.70911 11.41085 2.94127 -231.63228 946.62894
2010.0000 -242.91096 -228.85038 14.06058 3.02216 -229.88964 996.95232
2015.0000 -241.64065 -229.24000 12.40065 3.06702 -228.92313 1010.84224
2020.0000 -243.41437 -230.27664 13.13774 3.09229 -228.37852 1022.24561
2025.0000 -244.31689 -231.66760 12.64929 3.01492 -230.04558 1009.36949
2030.0000 -242.26582 -229.53097 12.73485 2.97500 -230.90566 994.16279
2035.0000 -242.77099 -232.18616 10.58483 2.95269 -231.38631 956.88443
2040.0000 -241.33003 -227.92982 13.40021 3.07315 -228.79093 1028.33074
2045.0000 -239.29865 -224.90711 14.39154 3.13266 -227.50886 1078.70448
2050.0000 -242.35660 -228.46540 13.89120 3.18624 -226.35456 1107.86370
2055.0000 -242.63710 -230.22480 12.41231 3.00054 -230.35540 1003.43382
2060.0000 -242.29032 -227.51661 14.77371 3.08888 -228.45217 1045.86834
2065.0000 -243.39888 -229.47588 13.92300 3.10711 -228.05938 1037.52058
2070.0000 -241.61993 -230.12754 11.49239 3.03037 -229.71274 982.22226
2075.0000 -242.36552 -228.93159 13.43393 3.02321 -229.86695 994.12270
2080.0000 -243.73742 -232.69816 11.03926 2.93981 -231.66378 960.01572
2085.0000 -242.54255 -229.49145 13.05110 3.02331 -229.86478 995.21668
2090.0000 -243.77856 -229.70881 14.06975 3.09496 -228.32103 1038.11097
2095.0000 -240.46389 -228.57439 11.88951 3.13443 -227.47066 1074.33227
2100.0000 -243.50425 -230.54774 12.95650 3.00654 -230.22608 980.77251
2105.0000 -243.35149 -229.79217 13.55932 3.02609 -229.80477 1001.19732
2110.0000 -244.01966 -229.00902 15.01064 3.05641 -229.15156 1038.91444
2115.0000 -240.90117 -227.66588 13.23529 3.12360 -227.70406 1053.53655
2120.0000 -241.12754 -227.38132 13.74622 3.12076 -227.76531 1067.60074
2125.0000 -243.22780 -228.17157 15.05623 3.11761 -227.83306 1069.98177
2130.0000 -239.32474 -226.02680 13.29794 3.12678 -227.63566 1068.32635
2135.0000 -240.53273 -227.27201 13.26072 3.23401 -225.32540 1136.53908
2140.0000 -242.40163 -231.13753 11.26410 3.04117 -229.48006 999.60986
2145.0000 -242.80059 -230.53648 12.26411 2.96278 -231.16876 968.66128
2150.0000 -244.76221 -231.91657 12.84563 2.97995 -230.79902 974.15879
2155.0000 -243.69026 -230.16114 13.52912 2.97358 -230.93625 974.56906
2160.0000 -245.06296 -231.38781 13.67515 3.00276 -230.30750 988.33050
2165.0000 -243.23718 -231.13794 12.09924 2.95494 -231.33769 968.35464
2170.0000 -243.30524 -231.64811 11.65712 2.95387 -231.36077 953.46908
2175.0000 -245.44547 -232.51412 12.93135 2.97524 -230.90046 981.28637
2180.0000 -242.18205 -229.12792 13.05413 2.95946 -231.24038 987.17578
2185.0000 -241.15498 -226.22586 14.92912 3.11211 -227.95162 1060.14289
2190.0000 -240.32597 -226.46664 13.85933 3.21440 -225.74781 1129.84103
2195.0000 -242.54988 -229.44072 13.10917 3.13854 -227.38213 1065.71141
2200.0000 -242.12729 -229.08185 13.04544 3.04732 -229.34754 997.24712
2205.0000 -243.81128 -231.26152 12.54976 3.04624 -229.37080 1031.62285
2210.0000 -242.17353 -229.44448 12.72905 3.04005 -229.50408 1006.55067
2215.0000 -242.62837 -230.62793 12.00044 3.03381 -229.63856 996.65494
2220.0000 -243.95191 -230.55787 13.39404 3.02587 -229.80965 989.98248
2225.0000 -242.93207 -230.37654 12.55553 2.98322 -230.72846 1002.82166
2230.0000 -243.52482 -230.07362 13.45120 3.03684 -229.57330 1000.51856
2235.0000 -240.89764 -227.77510 13.12254 3.06081 -229.05692 1028.35651
2240.0000 -242.16636 -227.93802 14.22834 3.09920 -228.22966 1048.40278
2245.0000 -240.46372 -226.33480 14.12893 3.13949 -227.36171 1061.14427
2250.0000 -239.73702 -226.96194 12.77509 3.11660 -227.85496 1047.85675
FREEZING PROCESS: loop number 10 T-loop= 992.00000000000000
main_MD> interactions number 10 at Temperature= 992.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45553 -0.00385 -2.82088
force_rgl> df(natom) 3.82567 0.28335 -1.50154
2255.0000 -242.32144 -230.47595 11.84549 3.03186 -229.68064 976.42477
2260.0000 -244.09756 -232.19192 11.90563 2.92079 -232.07338 909.75500
2265.0000 -244.08675 -231.63021 12.45654 2.99268 -230.52475 978.63987
2270.0000 -243.33159 -231.78982 11.54178 2.92073 -232.07477 955.33473
2275.0000 -244.29265 -234.32113 9.97152 2.87759 -233.00413 912.44048
2280.0000 -245.66383 -233.25033 12.41349 2.80174 -234.63825 873.98120
2285.0000 -244.74151 -231.03122 13.71029 2.90949 -232.31691 939.94447
2290.0000 -241.20622 -229.03758 12.16863 3.02604 -229.80586 991.99206
2295.0000 -241.46613 -228.98540 12.48073 3.07126 -228.83162 1003.11229
2300.0000 -241.46801 -229.33542 12.13258 3.07731 -228.70132 1003.37734
2305.0000 -243.90071 -230.29591 13.60480 3.05789 -229.11985 989.37372
2310.0000 -240.61171 -227.60934 13.00237 3.10699 -228.06197 1050.84213
2315.0000 -244.65105 -231.41558 13.23547 3.02261 -229.87976 1012.26737
2320.0000 -242.40059 -229.11448 13.28610 3.01094 -230.13129 993.95724
2325.0000 -241.67652 -229.24647 12.43005 3.10293 -228.14942 1045.85462
2330.0000 -244.14476 -229.68966 14.45510 3.02893 -229.74365 997.10815
2335.0000 -242.54270 -228.50951 14.03319 3.14949 -227.14623 1037.40967
2340.0000 -243.14378 -230.77168 12.37211 3.05712 -229.13627 1007.27156
2345.0000 -244.24911 -230.86777 13.38134 2.99772 -230.41609 964.47820
2350.0000 -242.69597 -230.31878 12.37719 2.96570 -231.10599 956.89609
2355.0000 -242.13453 -230.81345 11.32108 3.00165 -230.33139 984.29785
2360.0000 -241.37374 -228.37598 12.99776 3.00097 -230.34604 985.85384
2365.0000 -242.89325 -231.53446 11.35879 2.94596 -231.53120 930.58716
2370.0000 -245.79317 -232.63585 13.15732 2.94527 -231.54611 967.21706
2375.0000 -244.45714 -230.54024 13.91690 2.93619 -231.74165 968.59177
2380.0000 -243.13116 -230.84090 12.29026 2.97938 -230.81116 968.40990
2385.0000 -245.46335 -233.62442 11.83893 2.91996 -232.09146 930.97825
2390.0000 -241.79755 -230.93154 10.86601 2.88064 -232.93859 912.58389
2395.0000 -245.20915 -231.14649 14.06266 2.96373 -231.14833 968.57276
2400.0000 -241.30492 -228.38881 12.91611 2.96677 -231.08293 961.86207
2405.0000 -244.63731 -230.81103 13.82628 3.07063 -228.84530 1020.88570
2410.0000 -243.14460 -229.61279 13.53181 2.98567 -230.67567 972.46935
2415.0000 -242.74320 -229.75362 12.98959 3.00103 -230.34468 998.30588
2420.0000 -242.79372 -231.75592 11.03780 2.96229 -231.17940 959.70135
2425.0000 -243.54100 -229.43409 14.10691 2.97649 -230.87339 962.19665
2430.0000 -243.64583 -229.49956 14.14627 3.01725 -229.99531 1005.65421
2435.0000 -241.07440 -229.90104 11.17336 3.04112 -229.48101 999.64229
2440.0000 -243.36821 -230.19089 13.17732 3.00298 -230.30284 945.82760
2445.0000 -243.36362 -229.81964 13.54398 3.03493 -229.61442 1006.09989
2450.0000 -243.18913 -232.11350 11.07563 2.95448 -231.34759 980.70059
2455.0000 -243.66477 -231.76069 11.90408 2.93855 -231.69080 952.31444
2460.0000 -243.75655 -231.32446 12.43209 2.95674 -231.29899 971.47543
2465.0000 -240.91137 -228.05204 12.85933 3.07065 -228.84493 1004.51946
2470.0000 -243.20985 -231.25895 11.95089 3.04659 -229.36330 1007.99263
2475.0000 -242.76190 -230.85801 11.90389 2.96546 -231.11118 956.87251
2480.0000 -244.56175 -232.02426 12.53749 2.95651 -231.30392 967.64545
2485.0000 -244.09388 -232.35262 11.74126 2.94190 -231.61877 939.30859
2490.0000 -246.76451 -235.51476 11.24975 2.84728 -233.65716 879.93645
2495.0000 -247.29540 -235.11927 12.17613 2.79929 -234.69108 867.37179
2500.0000 -244.77978 -233.17030 11.60948 2.81012 -234.45770 872.06584
FREEZING PROCESS: loop number 11 T-loop= 967.00000000000000
main_MD> interactions number 11 at Temperature= 967.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51231 -3.08430 -1.54824
force_rgl> df(natom) -1.99681 5.26575 -4.88058
2505.0000 -243.72486 -232.06377 11.66109 2.92892 -231.89826 948.02394
2510.0000 -245.80609 -234.26193 11.54417 2.84720 -233.65895 887.62210
2515.0000 -242.25421 -231.32689 10.92733 2.91423 -232.21491 921.18561
2520.0000 -243.77932 -232.94928 10.83004 2.88591 -232.82495 895.46121
2525.0000 -242.96192 -229.72189 13.24003 2.91930 -232.10550 948.50426
2530.0000 -242.02003 -229.30250 12.71752 3.04415 -229.41585 987.19278
2535.0000 -241.97115 -230.10617 11.86499 3.02675 -229.79057 1003.43780
2540.0000 -243.79140 -230.23021 13.56119 3.02683 -229.78890 993.58502
2545.0000 -243.10773 -231.71736 11.39037 2.97476 -230.91078 980.93956
2550.0000 -241.78213 -228.29309 13.48903 2.99575 -230.45852 996.42806
2555.0000 -244.39616 -231.81300 12.58316 2.97880 -230.82368 1004.27309
2560.0000 -240.49215 -227.63021 12.86193 3.05559 -229.16936 1023.59547
2565.0000 -241.68198 -230.56048 11.12150 3.01336 -230.07902 1000.52896
2570.0000 -245.37035 -232.67622 12.69413 2.96009 -231.22671 969.73037
2575.0000 -243.21213 -232.03425 11.17788 2.89550 -232.61825 911.29663
2580.0000 -242.19678 -230.46543 11.73136 2.91321 -232.23675 935.50826
2585.0000 -240.32315 -228.25569 12.06746 3.04108 -229.48194 1013.60299
2590.0000 -243.99427 -232.33311 11.66116 3.04308 -229.43872 1015.17776
2595.0000 -242.84181 -229.77314 13.06867 2.96506 -231.11978 970.56514
2600.0000 -242.36918 -229.33953 13.02966 3.05018 -229.28597 1009.14125
2605.0000 -241.34560 -227.62073 13.72487 3.07220 -228.81141 1036.83310
2610.0000 -243.64935 -229.95058 13.69877 3.04806 -229.33155 1005.44717
2615.0000 -241.69955 -230.89973 10.79983 2.99332 -230.51081 970.51631
2620.0000 -245.27076 -234.29371 10.97705 2.89018 -232.73301 920.92180
2625.0000 -244.41605 -231.78458 12.63147 2.94689 -231.51126 958.76047
2630.0000 -242.82473 -231.47266 11.35207 2.96691 -231.07989 955.84932
2635.0000 -243.83746 -232.61678 11.22068 2.98465 -230.69767 969.72506
2640.0000 -242.56796 -230.55164 12.01632 2.91958 -232.09955 910.86908
2645.0000 -244.01125 -231.45204 12.55921 2.96795 -231.05736 981.63253
2650.0000 -245.64101 -233.76520 11.87581 2.88608 -232.82134 931.90626
2655.0000 -246.08390 -235.73208 10.35182 2.77031 -235.31551 843.63742
2660.0000 -245.86289 -234.43542 11.42747 2.78764 -234.94217 852.38119
2665.0000 -244.10874 -231.57204 12.53669 2.85930 -233.39824 901.34193
2670.0000 -242.20456 -228.43782 13.76674 2.99977 -230.37190 961.67160
2675.0000 -242.99743 -230.75262 12.24481 3.01902 -229.95714 1000.97885
2680.0000 -243.61260 -230.04625 13.56636 2.97712 -230.86000 957.88227
2685.0000 -244.25612 -229.36178 14.89434 3.04703 -229.35370 1019.56325
2690.0000 -243.16529 -230.46067 12.70462 3.04269 -229.44725 1032.06004
2695.0000 -240.70612 -227.48609 13.22003 3.08473 -228.54146 1004.16470
2700.0000 -243.25219 -230.64921 12.60298 3.13401 -227.47990 1047.95505
2705.0000 -244.02298 -233.50658 10.51639 2.90562 -232.40026 922.20247
2710.0000 -244.37267 -232.65675 11.71592 2.88992 -232.73851 913.62940
2715.0000 -243.73506 -229.57555 14.15951 2.95867 -231.25734 969.17509
2720.0000 -241.83583 -228.03662 13.79921 3.03802 -229.54781 1002.13031
2725.0000 -242.68450 -231.01961 11.66489 3.06895 -228.88139 1033.48957
2730.0000 -242.93775 -230.66807 12.26967 2.97371 -230.93326 942.92206
2735.0000 -242.18454 -228.27682 13.90772 3.01962 -229.94427 982.46598
2740.0000 -242.65695 -230.21303 12.44392 3.07476 -228.75636 1022.94579
2745.0000 -244.18912 -232.70450 11.48462 3.01367 -230.07238 992.46819
2750.0000 -245.44727 -233.06222 12.38506 2.89436 -232.64281 914.58634
FREEZING PROCESS: loop number 12 T-loop= 942.00000000000000
main_MD> interactions number 12 at Temperature= 942.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90647 -1.18071 0.51732
force_rgl> df(natom) -2.39997 1.33638 1.06424
2755.0000 -243.34613 -232.51597 10.83016 2.95291 -231.38151 950.74558
2760.0000 -243.22123 -230.58204 12.63919 2.93243 -231.82263 946.97516
2765.0000 -243.69864 -230.39673 13.30191 3.01777 -229.98406 996.81165
2770.0000 -242.51959 -229.87544 12.64415 2.99693 -230.43320 964.61275
2775.0000 -244.55280 -231.76999 12.78281 2.94499 -231.55213 937.75969
2780.0000 -244.09878 -232.08955 12.00923 2.94019 -231.65557 940.05139
2785.0000 -245.21490 -233.55185 11.66305 2.88468 -232.85146 921.08032
2790.0000 -243.12497 -232.51729 10.60768 2.88821 -232.77547 912.93408
2795.0000 -245.57372 -234.36835 11.20537 2.83342 -233.95592 878.25085
2800.0000 -242.73243 -230.50532 12.22712 2.89368 -232.65754 900.54089
2805.0000 -243.14110 -230.74220 12.39890 2.96266 -231.17145 977.13438
2810.0000 -246.15475 -232.90368 13.25107 2.96044 -231.21927 961.21351
2815.0000 -245.14784 -233.75927 11.38857 2.86912 -233.18668 913.39877
2820.0000 -245.47586 -233.29873 12.17713 2.88721 -232.79698 923.73859
2825.0000 -246.40156 -235.47802 10.92354 2.83971 -233.82031 887.24175
2830.0000 -245.40708 -234.68954 10.71754 2.76265 -235.48052 863.06839
2835.0000 -242.83449 -232.16585 10.66864 2.83832 -233.85026 890.65252
2840.0000 -241.67615 -228.73546 12.94069 2.95518 -231.33252 965.36518
2845.0000 -244.87698 -231.90721 12.96978 3.04443 -229.40979 1030.87382
2850.0000 -244.14901 -231.34430 12.80471 2.91164 -232.27070 933.01218
2855.0000 -245.15869 -232.52031 12.63838 2.92052 -232.07935 945.19929
2860.0000 -246.23916 -232.80012 13.43904 2.89632 -232.60066 937.47570
2865.0000 -245.75682 -234.56919 11.18763 2.84004 -233.81323 926.42039
2870.0000 -243.15667 -231.62204 11.53464 2.89568 -232.61450 919.48616
2875.0000 -243.25827 -232.76292 10.49535 2.94313 -231.59223 943.08266
2880.0000 -242.95433 -231.51087 11.44347 2.95297 -231.38022 917.81261
2885.0000 -243.82342 -232.00912 11.81429 2.87931 -232.96714 910.47387
2890.0000 -242.20259 -229.56183 12.64075 2.98242 -230.74581 954.84714
2895.0000 -243.58979 -230.99477 12.59502 3.03432 -229.62765 1005.47131
2900.0000 -242.80351 -228.78078 14.02273 2.99016 -230.57900 985.96166
2905.0000 -241.70020 -229.30681 12.39339 3.07604 -228.72866 1035.53520
2910.0000 -244.69001 -232.70027 11.98974 2.95879 -231.25480 951.80364
2915.0000 -245.54082 -234.68289 10.85793 2.84880 -233.62438 890.87684
2920.0000 -243.91771 -230.79669 13.12102 2.87792 -232.99713 910.78965
2925.0000 -244.60611 -231.29596 13.31015 2.99921 -230.38390 993.88084
2930.0000 -245.40420 -231.12385 14.28035 2.99735 -230.42411 994.85761
2935.0000 -244.30674 -233.93955 10.36719 2.88240 -232.90060 921.56246
2940.0000 -245.79158 -232.69229 13.09929 2.86214 -233.33716 902.69356
2945.0000 -244.36237 -232.86089 11.50148 2.90779 -232.35366 932.72634
2950.0000 -242.22474 -231.05928 11.16546 2.92725 -231.93438 923.02623
2955.0000 -243.40952 -231.66597 11.74355 2.95519 -231.33237 978.95783
2960.0000 -245.24555 -233.33536 11.91018 2.89552 -232.61790 929.13937
2965.0000 -244.07769 -231.44389 12.63381 2.91971 -232.09673 939.11102
2970.0000 -246.29655 -234.18756 12.10899 2.89168 -232.70059 911.13101
2975.0000 -244.36819 -231.53306 12.83513 2.87022 -233.16302 915.37299
2980.0000 -241.66455 -229.20816 12.45639 2.95118 -231.41885 937.47192
2985.0000 -243.33543 -232.05525 11.28018 2.99340 -230.50907 973.18904
2990.0000 -246.46753 -235.60614 10.86139 2.86158 -233.34909 880.17077
2995.0000 -246.79833 -237.39121 9.40712 2.77135 -235.29315 837.36318
3000.0000 -243.70448 -232.28036 11.42412 2.83389 -233.94561 894.42389
FREEZING PROCESS: loop number 13 T-loop= 917.00000000000000
main_MD> interactions number 13 at Temperature= 917.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.79476 1.77602 -2.85988
force_rgl> df(natom) 2.11231 1.22816 -3.15190
3005.0000 -242.94362 -233.21734 9.72628 2.90022 -232.51675 927.98921
3010.0000 -244.45249 -231.17674 13.27575 2.91202 -232.26252 949.36311
3015.0000 -245.73045 -234.39092 11.33953 2.89136 -232.70750 920.82770
3020.0000 -246.38842 -235.75038 10.63805 2.78974 -234.89698 844.83061
3025.0000 -242.88529 -230.22080 12.66449 2.84010 -233.81182 876.83665
3030.0000 -242.66492 -230.08586 12.57906 3.07421 -228.76825 1020.78735
3035.0000 -244.03706 -233.06201 10.97506 2.94655 -231.51846 947.66136
3040.0000 -245.06338 -232.25979 12.80359 2.91231 -232.25619 921.54801
3045.0000 -243.53939 -233.69974 9.83965 2.83087 -234.01074 889.74238
3050.0000 -244.21220 -232.13548 12.07672 2.83655 -233.88838 890.12984
3055.0000 -245.82451 -234.18875 11.63576 2.90272 -232.46284 915.44193
3060.0000 -245.43385 -233.94064 11.49321 2.81936 -234.25879 891.00120
3065.0000 -243.23066 -231.86642 11.36423 2.86620 -233.24957 915.25653
3070.0000 -243.54541 -231.89729 11.64812 2.91623 -232.17179 898.11171
3075.0000 -244.61316 -232.13120 12.48196 2.94269 -231.60164 968.33464
3080.0000 -244.79172 -232.98203 11.80969 2.88827 -232.77413 920.47250
3085.0000 -243.29631 -230.17929 13.11703 2.91681 -232.15914 932.29553
3090.0000 -243.80476 -232.40388 11.40088 2.91335 -232.23385 927.76169
3095.0000 -245.00074 -233.33307 11.66766 2.91380 -232.22412 915.34957
3100.0000 -245.26140 -233.64678 11.61462 2.86624 -233.24876 906.26241
3105.0000 -245.24879 -234.29457 10.95422 2.87316 -233.09971 901.53935
3110.0000 -245.01600 -232.80480 12.21120 2.86986 -233.17072 891.21384
3115.0000 -246.47262 -234.59102 11.88160 2.85864 -233.41236 917.58815
3120.0000 -244.05675 -232.23935 11.81739 2.83275 -233.97034 891.74323
3125.0000 -245.56232 -233.70435 11.85797 2.90431 -232.42856 931.69374
3130.0000 -245.48354 -233.28901 12.19452 2.86479 -233.28000 896.48689
3135.0000 -246.04422 -234.56601 11.47822 2.89022 -232.73203 921.34941
3140.0000 -242.43326 -230.87680 11.55647 2.85197 -233.55607 873.17791
3145.0000 -242.57365 -230.23845 12.33520 2.98188 -230.75725 957.92003
3150.0000 -244.50137 -231.95787 12.54351 2.96163 -231.19361 943.71458
3155.0000 -243.18873 -232.11636 11.07237 2.91287 -232.24414 909.51793
3160.0000 -245.45838 -231.40882 14.04956 2.95419 -231.35389 945.65907
3165.0000 -244.56328 -232.03503 12.52825 2.96952 -231.02362 983.73753
3170.0000 -243.66015 -231.62584 12.03431 2.94867 -231.47276 948.33786
3175.0000 -244.15507 -231.94371 12.21136 2.95279 -231.38409 973.14122
3180.0000 -244.07745 -230.97894 13.09852 2.94545 -231.54215 948.83368
3185.0000 -244.56306 -232.23827 12.32479 2.95211 -231.39880 938.22256
3190.0000 -244.28936 -233.26316 11.02620 2.93039 -231.86665 926.62372
3195.0000 -244.71550 -233.65337 11.06213 2.84512 -233.70383 880.99400
3200.0000 -244.40632 -233.15648 11.24985 2.82695 -234.09522 874.98254
3205.0000 -244.28851 -231.08777 13.20074 2.88201 -232.90905 903.54317
3210.0000 -244.25390 -231.28783 12.96607 2.96788 -231.05904 967.93123
3215.0000 -245.39974 -233.17629 12.22344 2.87657 -233.02618 911.11189
3220.0000 -243.83363 -232.13126 11.70237 2.86339 -233.31017 903.13572
3225.0000 -244.71022 -234.82701 9.88322 2.87166 -233.13189 912.45620
3230.0000 -245.45250 -232.12462 13.32788 2.86104 -233.36079 901.27493
3235.0000 -244.73584 -233.87719 10.85864 2.85077 -233.58193 890.31601
3240.0000 -244.23050 -231.76530 12.46519 2.91774 -232.13910 909.65485
3245.0000 -244.89021 -233.16992 11.72029 2.86346 -233.30871 879.88037
3250.0000 -241.53223 -229.93348 11.59875 2.94601 -231.53020 956.75971
FREEZING PROCESS: loop number 14 T-loop= 892.00000000000000
main_MD> interactions number 14 at Temperature= 892.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63072 0.35178 3.15864
force_rgl> df(natom) -0.56204 2.62317 2.10122
3255.0000 -243.70543 -231.45326 12.25217 2.95681 -231.29752 954.27566
3260.0000 -245.57253 -233.74578 11.82675 2.86876 -233.19438 912.07910
3265.0000 -246.25210 -235.65911 10.59299 2.84018 -233.81010 885.82640
3270.0000 -244.22974 -232.75363 11.47611 2.82126 -234.21779 882.79290
3275.0000 -243.79722 -232.54508 11.25214 2.91786 -232.13668 913.59022
3280.0000 -248.50431 -237.26510 11.23921 2.79051 -234.88036 865.55908
3285.0000 -247.95252 -238.03548 9.91705 2.68417 -237.17134 812.40821
3290.0000 -246.98674 -236.32793 10.65882 2.67732 -237.31887 796.40637
3295.0000 -246.46376 -235.35283 11.11092 2.75686 -235.60536 864.42149
3300.0000 -243.12005 -231.22971 11.89034 2.78714 -234.95297 878.01294
3305.0000 -245.49056 -233.64068 11.84988 2.89860 -232.55148 938.34486
3310.0000 -246.25233 -234.13835 12.11398 2.84447 -233.71784 894.83693
3315.0000 -246.00021 -234.45148 11.54873 2.83913 -233.83281 889.84746
3320.0000 -246.78254 -236.83221 9.95032 2.76498 -235.43035 856.87179
3325.0000 -248.15924 -236.67387 11.48537 2.74767 -235.80324 830.97205
3330.0000 -246.80305 -234.79186 12.01119 2.73236 -236.13314 810.83209
3335.0000 -246.57304 -235.17718 11.39587 2.79058 -234.87873 880.38575
3340.0000 -246.58345 -236.35294 10.23051 2.75539 -235.63688 834.31665
3345.0000 -246.11856 -234.45267 11.66588 2.74124 -235.94183 824.02921
3350.0000 -247.13245 -235.54782 11.58463 2.77649 -235.18232 851.65326
3355.0000 -244.21412 -233.19006 11.02407 2.82225 -234.19652 855.92318
3360.0000 -246.61125 -234.63178 11.97946 2.86775 -233.21614 892.24791
3365.0000 -245.91829 -234.04125 11.87704 2.79446 -234.79524 846.83126
3370.0000 -244.52767 -233.37468 11.15299 2.79656 -234.74995 868.84289
3375.0000 -244.68831 -232.48813 12.20018 2.88257 -232.89695 895.48697
3380.0000 -245.54083 -234.47906 11.06177 2.79839 -234.71060 838.65399
3385.0000 -244.87265 -235.12297 9.74967 2.80472 -234.57414 850.28805
3390.0000 -246.23624 -235.56923 10.66701 2.78217 -235.05998 863.18145
3395.0000 -247.70851 -235.52724 12.18128 2.72592 -236.27178 813.97959
3400.0000 -245.29292 -233.39864 11.89428 2.77005 -235.32118 854.96900
3405.0000 -243.80775 -233.10735 10.70040 2.90688 -232.37307 919.54289
3410.0000 -243.49613 -231.28813 12.20800 2.86224 -233.33485 875.45941
3415.0000 -244.86814 -234.27415 10.59398 2.93813 -231.69996 927.97210
3420.0000 -246.81941 -235.18654 11.63287 2.79262 -234.83479 866.92574
3425.0000 -244.85204 -233.12144 11.73060 2.82895 -234.05202 887.65266
3430.0000 -246.06656 -233.84276 12.22380 2.83811 -233.85481 898.85747
3435.0000 -246.35000 -235.47427 10.87573 2.78619 -234.97344 855.37068
3440.0000 -243.84689 -233.42337 10.42352 2.79611 -234.75959 874.02002
3445.0000 -248.04972 -235.59601 12.45371 2.82517 -234.13358 872.05931
3450.0000 -246.24075 -235.51020 10.73055 2.75945 -235.54955 846.40906
3455.0000 -243.81921 -233.08597 10.73324 2.81655 -234.31930 883.70665
3460.0000 -246.15354 -235.97625 10.17728 2.75087 -235.73431 840.03791
3465.0000 -245.63670 -234.16949 11.46721 2.74784 -235.79960 854.11820
3470.0000 -245.10650 -232.83729 12.26921 2.82968 -234.03644 898.60535
3475.0000 -244.68064 -232.92013 11.76050 2.82415 -234.15549 888.03148
3480.0000 -244.23753 -231.79708 12.44045 2.88797 -232.78047 911.76790
3485.0000 -243.46849 -231.56817 11.90032 2.92351 -232.01491 940.77075
3490.0000 -244.81713 -233.42424 11.39289 2.89460 -232.63773 920.40452
3495.0000 -245.65549 -234.80877 10.84671 2.83078 -234.01268 880.87733
3500.0000 -245.77984 -236.22603 9.55381 2.83273 -233.97079 869.42032
FREEZING PROCESS: loop number 15 T-loop= 867.00000000000000
main_MD> interactions number 15 at Temperature= 867.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.20770 0.61150 -0.60690
force_rgl> df(natom) -1.98036 0.66974 0.47832
3505.0000 -246.61511 -234.57286 12.04225 2.73708 -236.03144 825.75543
3510.0000 -245.83376 -234.68464 11.14913 2.78998 -234.89163 856.67779
3515.0000 -246.03320 -235.49933 10.53387 2.81102 -234.43839 855.06437
3520.0000 -246.50030 -235.11899 11.38131 2.81952 -234.25523 887.55415
3525.0000 -245.97992 -234.35799 11.62193 2.79141 -234.86085 866.48377
3530.0000 -246.67922 -235.37009 11.30913 2.79909 -234.69542 879.96220
3535.0000 -244.83086 -233.52343 11.30744 2.82947 -234.04099 885.16690
3540.0000 -246.31583 -236.07509 10.24074 2.80643 -234.53725 874.28811
3545.0000 -246.56400 -235.77683 10.78717 2.74840 -235.78743 826.73085
3550.0000 -246.55179 -235.09086 11.46093 2.69813 -236.87059 795.28027
3555.0000 -246.14039 -233.19530 12.94509 2.80175 -234.63809 874.76779
3560.0000 -245.00102 -232.62441 12.37661 2.83730 -233.87232 897.24422
3565.0000 -244.80519 -234.23975 10.56544 2.83162 -233.99464 875.00294
3570.0000 -244.73836 -233.93727 10.80109 2.84093 -233.79401 882.08809
3575.0000 -246.24107 -235.80167 10.43940 2.80266 -234.61846 862.52495
3580.0000 -245.44174 -233.93916 11.50257 2.85207 -233.55409 891.33547
3585.0000 -245.88367 -234.43977 11.44389 2.83137 -233.99998 892.80273
3590.0000 -249.04055 -237.08045 11.96010 2.76015 -235.53444 829.49671
3595.0000 -247.03626 -237.21327 9.82299 2.70509 -236.72060 817.95133
3600.0000 -245.81591 -233.92056 11.89536 2.77978 -235.11146 854.32001
3605.0000 -244.82622 -235.25006 9.57616 2.82631 -234.10906 863.18173
3610.0000 -244.98351 -234.08643 10.89708 2.82644 -234.10616 856.35255
3615.0000 -244.47067 -232.81775 11.65293 2.86816 -233.20736 894.62993
3620.0000 -244.68706 -232.62584 12.06123 2.88905 -232.75729 919.53647
3625.0000 -244.77901 -232.17686 12.60215 2.91449 -232.20924 909.86156
3630.0000 -244.71674 -233.35394 11.36280 2.87521 -233.05546 917.47039
3635.0000 -245.12441 -234.16927 10.95515 2.85156 -233.56499 900.68214
3640.0000 -244.91279 -234.30611 10.60668 2.77511 -235.21204 870.08088
3645.0000 -247.06932 -234.68275 12.38657 2.80167 -234.63989 866.91007
3650.0000 -245.58573 -234.02570 11.56003 2.78448 -235.01011 870.16329
3655.0000 -245.53818 -234.16179 11.37639 2.81413 -234.37145 860.41370
3660.0000 -247.15557 -235.93404 11.22153 2.77506 -235.21307 831.58174
3665.0000 -246.79998 -235.85584 10.94413 2.77599 -235.19319 857.79880
3670.0000 -243.46555 -234.66128 8.80427 2.84077 -233.79746 880.24259
3675.0000 -243.44950 -233.60236 9.84715 2.82009 -234.24297 848.83577
3680.0000 -244.49355 -234.10390 10.38965 2.85549 -233.48041 888.42278
3685.0000 -247.09764 -235.76400 11.33365 2.76282 -235.47691 832.61402
3690.0000 -245.69747 -235.58964 10.10783 2.80983 -234.46396 865.50537
3695.0000 -246.03954 -234.59574 11.44379 2.80859 -234.49078 868.25369
3700.0000 -248.10850 -237.57363 10.53487 2.78258 -235.05111 833.51153
3705.0000 -247.38988 -235.64972 11.74016 2.68235 -237.21061 801.72182
3710.0000 -248.89083 -237.92490 10.96594 2.69736 -236.88709 782.69672
3715.0000 -245.20197 -235.33203 9.86994 2.72323 -236.32968 837.94351
3720.0000 -245.43125 -233.27004 12.16121 2.85184 -233.55906 885.74305
3725.0000 -245.50880 -233.60441 11.90438 2.86481 -233.27954 879.99494
3730.0000 -246.47980 -235.26268 11.21712 2.83830 -233.85064 880.84304
3735.0000 -245.63706 -235.10562 10.53144 2.78445 -235.01082 837.86735
3740.0000 -245.74791 -232.30141 13.44650 2.85141 -233.56833 915.24727
3745.0000 -242.72583 -230.41477 12.31106 2.94119 -231.63390 942.33631
3750.0000 -246.21342 -233.71854 12.49488 2.94021 -231.65514 934.34965
FREEZING PROCESS: loop number 16 T-loop= 842.00000000000000
main_MD> interactions number 16 at Temperature= 842.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.49584 -1.70681 0.30658
force_rgl> df(natom) -2.96556 -1.96491 -0.06625
3755.0000 -246.73863 -235.18441 11.55422 2.79339 -234.81828 838.70558
3760.0000 -247.31443 -236.88253 10.43190 2.77560 -235.20156 842.74573
3765.0000 -247.70009 -236.59766 11.10243 2.72346 -236.32489 840.34202
3770.0000 -247.24450 -238.10863 9.13587 2.71757 -236.45183 814.47208
3775.0000 -244.74422 -233.66518 11.07904 2.75916 -235.55570 839.58462
3780.0000 -243.38823 -232.05682 11.33141 2.84236 -233.76330 883.77865
3785.0000 -246.84182 -235.37003 11.47179 2.85711 -233.44536 886.33357
3790.0000 -246.72083 -234.12841 12.59242 2.73989 -235.97085 858.33805
3795.0000 -246.49089 -234.38311 12.10778 2.86623 -233.24904 918.68337
3800.0000 -246.61044 -235.63208 10.97836 2.78421 -235.01607 879.98672
3805.0000 -245.04496 -235.54129 9.50367 2.77084 -235.30398 861.65959
3810.0000 -244.04129 -232.83223 11.20906 2.81551 -234.34158 880.33396
3815.0000 -243.86859 -231.28000 12.58859 2.94224 -231.61145 945.26223
3820.0000 -244.79717 -232.95908 11.83809 2.94543 -231.54259 931.17732
3825.0000 -246.64021 -234.52821 12.11201 2.84273 -233.75534 871.26165
3830.0000 -246.39950 -235.63650 10.76300 2.78473 -235.00474 853.49212
3835.0000 -246.15110 -236.19659 9.95451 2.73794 -236.01288 811.03506
3840.0000 -244.61004 -234.09991 10.51013 2.80752 -234.51372 871.00752
3845.0000 -244.88082 -234.86791 10.01291 2.82037 -234.23704 867.98975
3850.0000 -247.43345 -237.21945 10.21400 2.76673 -235.39270 852.05517
3855.0000 -244.94156 -234.30337 10.63819 2.76686 -235.38987 834.50560
3860.0000 -245.23648 -233.65006 11.58642 2.79684 -234.74402 864.22795
3865.0000 -246.15876 -234.21748 11.94127 2.82358 -234.16780 871.98888
3870.0000 -245.38348 -234.39078 10.99270 2.85358 -233.52157 920.60228
3875.0000 -247.69113 -235.63851 12.05262 2.80265 -234.61882 850.15096
3880.0000 -246.55280 -235.84284 10.70996 2.74328 -235.89788 838.99772
3885.0000 -246.57977 -236.88602 9.69376 2.72198 -236.35662 818.31567
3890.0000 -245.82352 -234.24913 11.57439 2.79161 -234.85663 838.94682
3895.0000 -244.01807 -234.73917 9.27889 2.79366 -234.81250 826.85184
3900.0000 -246.21487 -234.96988 11.24500 2.78134 -235.07782 833.96545
3905.0000 -247.05114 -235.87935 11.17179 2.78858 -234.92193 847.54397
3910.0000 -246.45680 -236.95024 9.50656 2.71788 -236.44513 822.03603
3915.0000 -247.09546 -236.95090 10.14455 2.69780 -236.87762 802.41996
3920.0000 -247.61331 -237.92759 9.68573 2.68181 -237.22224 799.55273
3925.0000 -246.80760 -235.27053 11.53706 2.65711 -237.75432 786.98690
3930.0000 -246.59215 -233.98711 12.60504 2.75580 -235.62804 838.92991
3935.0000 -244.41968 -234.20385 10.21583 2.79598 -234.76244 861.98897
3940.0000 -245.48271 -234.44258 11.04013 2.82250 -234.19106 880.78296
3945.0000 -245.66973 -236.52023 9.14950 2.77553 -235.20311 858.05758
3950.0000 -246.44366 -236.63588 9.80778 2.70664 -236.68721 792.99988
3955.0000 -247.96985 -237.37886 10.59099 2.71868 -236.42780 804.89387
3960.0000 -244.97905 -233.43002 11.54903 2.80208 -234.63110 856.56220
3965.0000 -244.85042 -234.83870 10.01171 2.82676 -234.09923 863.85125
3970.0000 -244.86920 -232.50105 12.36814 2.84038 -233.80595 877.13183
3975.0000 -247.34679 -236.16885 11.17795 2.79143 -234.86043 876.70933
3980.0000 -249.12397 -239.24239 9.88158 2.67449 -237.37979 797.24727
3985.0000 -248.55602 -238.11495 10.44107 2.65410 -237.81911 801.86908
3990.0000 -248.54768 -239.57057 8.97711 2.63700 -238.18764 783.61510
3995.0000 -245.73167 -235.60140 10.13027 2.65796 -237.73600 783.86101
4000.0000 -246.37547 -234.46174 11.91373 2.78070 -235.09153 847.85096
FREEZING PROCESS: loop number 17 T-loop= 817.00000000000000
main_MD> interactions number 17 at Temperature= 817.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.63991 0.46574 -1.48635
force_rgl> df(natom) 3.54166 1.79911 3.17178
4005.0000 -245.73129 -234.22337 11.50792 2.77912 -235.12574 862.12039
4010.0000 -248.26667 -237.36732 10.89935 2.72378 -236.31804 836.29587
4015.0000 -247.02621 -235.41685 11.60937 2.74194 -235.92679 834.91775
4020.0000 -247.22891 -236.03055 11.19837 2.74459 -235.86962 833.02996
4025.0000 -245.18111 -235.64245 9.53866 2.74364 -235.89011 830.77388
4030.0000 -246.26287 -236.77410 9.48878 2.71082 -236.59713 779.11412
4035.0000 -248.86151 -237.12673 11.73478 2.65813 -237.73229 773.13727
4040.0000 -246.39989 -234.62306 11.77682 2.71586 -236.48857 816.56579
4045.0000 -248.60482 -238.58742 10.01739 2.73335 -236.11171 822.62340
4050.0000 -248.13082 -239.26122 8.86961 2.59076 -239.18367 741.31212
4055.0000 -246.88355 -237.10339 9.78016 2.64268 -238.06522 767.23011
4060.0000 -246.28133 -235.97334 10.30799 2.72052 -236.38815 797.24775
4065.0000 -246.73556 -237.08742 9.64814 2.73304 -236.11848 812.34798
4070.0000 -247.29968 -236.21451 11.08516 2.69587 -236.91928 802.60187
4075.0000 -247.08024 -236.99007 10.09017 2.69905 -236.85078 808.85846
4080.0000 -247.06984 -238.16922 8.90062 2.71052 -236.60362 812.05609
4085.0000 -249.56695 -237.26130 12.30565 2.68371 -237.18130 793.94972
4090.0000 -247.30519 -236.27658 11.02861 2.73783 -236.01527 829.42234
4095.0000 -246.68789 -236.36382 10.32407 2.71484 -236.51064 834.53337
4100.0000 -246.91501 -237.69311 9.22190 2.68498 -237.15379 805.30672
4105.0000 -248.05192 -236.81998 11.23195 2.64971 -237.91372 778.82050
4110.0000 -248.41401 -238.25098 10.16303 2.68939 -237.05888 802.27692
4115.0000 -248.69401 -238.28276 10.41125 2.65960 -237.70063 794.79121
4120.0000 -247.35292 -237.24431 10.10860 2.67124 -237.44979 795.53891
4125.0000 -247.48393 -236.72502 10.75892 2.71458 -236.51614 812.34571
4130.0000 -248.64867 -237.03016 11.61851 2.68224 -237.21293 804.67710
4135.0000 -247.86360 -238.09455 9.76905 2.69094 -237.02549 797.17705
4140.0000 -246.81485 -236.25316 10.56169 2.73675 -236.03854 829.58222
4145.0000 -247.57914 -237.28174 10.29740 2.68416 -237.17152 783.08776
4150.0000 -246.49129 -235.63823 10.85306 2.74211 -235.92307 816.97389
4155.0000 -247.38143 -235.93571 11.44572 2.72029 -236.39317 811.72423
4160.0000 -247.30556 -236.52870 10.77686 2.74522 -235.85611 855.65830
4165.0000 -247.08602 -237.18446 9.90156 2.74333 -235.89671 821.41156
4170.0000 -246.17108 -236.18672 9.98435 2.72325 -236.32934 803.10484
4175.0000 -246.41562 -236.42039 9.99523 2.73428 -236.09179 820.64660
4180.0000 -246.76982 -236.16862 10.60119 2.73486 -236.07927 823.18988
4185.0000 -247.31056 -235.71229 11.59826 2.75547 -235.63513 821.05393
4190.0000 -247.38598 -236.50085 10.88512 2.72922 -236.20065 800.07541
4195.0000 -248.36644 -238.68992 9.67652 2.65672 -237.76276 801.28275
4200.0000 -246.19298 -236.51741 9.67557 2.64433 -238.02967 773.70873
4205.0000 -247.56905 -236.80400 10.76506 2.67329 -237.40580 796.03272
4210.0000 -248.97613 -238.90597 10.07016 2.69722 -236.89012 798.25680
4215.0000 -248.39922 -238.18514 10.21408 2.62084 -238.53570 752.37162
4220.0000 -247.05566 -236.45520 10.60046 2.70714 -236.67653 812.45094
4225.0000 -246.72910 -235.84870 10.88040 2.73552 -236.06505 824.88147
4230.0000 -247.91954 -236.95483 10.96471 2.72322 -236.33008 818.40092
4235.0000 -246.98454 -235.36734 11.61720 2.73173 -236.14670 832.98662
4240.0000 -248.29457 -238.14788 10.14668 2.74172 -235.93141 835.26853
4245.0000 -247.12865 -236.79241 10.33624 2.72920 -236.20115 821.59050
4250.0000 -245.79911 -235.29867 10.50044 2.73028 -236.17783 823.42302
FREEZING PROCESS: loop number 18 T-loop= 792.00000000000000
main_MD> interactions number 18 at Temperature= 792.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06711 -3.78156 1.08776
force_rgl> df(natom) -0.38242 -0.64058 2.45101
4255.0000 -245.61615 -235.55511 10.06104 2.76129 -235.50983 849.18949
4260.0000 -247.88115 -236.59866 11.28248 2.72057 -236.38716 819.73400
4265.0000 -246.40935 -236.76946 9.63989 2.70762 -236.66611 818.55030
4270.0000 -246.23972 -235.90122 10.33850 2.70838 -236.64974 805.01095
4275.0000 -246.72479 -236.41584 10.30894 2.77217 -235.27552 829.01807
4280.0000 -248.35977 -238.39319 9.96658 2.65325 -237.83741 768.73122
4285.0000 -247.75272 -237.03516 10.71757 2.67800 -237.30414 783.52279
4290.0000 -246.31214 -235.70913 10.60301 2.76570 -235.41478 865.10352
4295.0000 -247.17551 -235.57423 11.60128 2.75411 -235.66446 845.09350
4300.0000 -246.00375 -235.71532 10.28843 2.76408 -235.44977 851.83268
4305.0000 -247.67937 -236.05982 11.61954 2.73832 -236.00464 854.66312
4310.0000 -247.70787 -236.02198 11.68589 2.67364 -237.39808 799.81711
4315.0000 -247.86856 -238.20597 9.66259 2.73510 -236.07412 849.10982
4320.0000 -246.71175 -236.17642 10.53534 2.72002 -236.39886 845.03513
4325.0000 -246.29942 -236.92073 9.37869 2.70563 -236.70897 812.69506
4330.0000 -246.81599 -236.48897 10.32702 2.70617 -236.69734 802.52197
4335.0000 -247.49397 -238.12495 9.36901 2.67037 -237.46858 775.73974
4340.0000 -249.00601 -238.77409 10.23192 2.64828 -237.94445 770.38807
4345.0000 -249.05597 -239.51171 9.54426 2.59697 -239.05000 734.47027
4350.0000 -247.92430 -238.52411 9.40019 2.57404 -239.54403 733.61551
4355.0000 -248.07686 -239.89703 8.17983 2.62583 -238.42822 740.87371
4360.0000 -248.19037 -237.92321 10.26716 2.60772 -238.81840 746.53813
4365.0000 -245.75414 -235.54874 10.20539 2.68889 -237.06971 814.21601
4370.0000 -249.59022 -240.11466 9.47555 2.67977 -237.26601 791.61204
4375.0000 -247.34251 -236.67947 10.66305 2.57966 -239.42289 742.31298
4380.0000 -247.89395 -237.91692 9.97703 2.63683 -238.19111 775.80137
4385.0000 -247.41231 -237.85756 9.55475 2.64687 -237.97481 768.19281
4390.0000 -247.90172 -237.72127 10.18045 2.68257 -237.20573 808.41100
4395.0000 -249.31640 -238.48761 10.82879 2.57399 -239.54496 733.38966
4400.0000 -249.07696 -239.64165 9.43531 2.60420 -238.89413 767.64206
4405.0000 -247.27505 -237.83072 9.44433 2.58790 -239.24541 750.42393
4410.0000 -246.63150 -237.75402 8.87748 2.66038 -237.68393 763.83755
4415.0000 -247.85648 -239.34566 8.51081 2.59934 -238.99894 745.87368
4420.0000 -248.60973 -238.88530 9.72443 2.62415 -238.46435 767.03179
4425.0000 -247.20491 -237.06104 10.14387 2.63730 -238.18101 757.44041
4430.0000 -248.81819 -238.69801 10.12018 2.66829 -237.51348 770.45412
4435.0000 -246.82942 -237.53168 9.29774 2.65740 -237.74796 758.86620
4440.0000 -248.86473 -238.72880 10.13593 2.61735 -238.61087 735.75896
4445.0000 -247.70582 -237.79380 9.91202 2.66899 -237.49828 794.57941
4450.0000 -248.46529 -239.02519 9.44011 2.59509 -239.09057 728.48819
4455.0000 -248.46359 -237.68229 10.78131 2.61161 -238.73461 748.61163
4460.0000 -247.53132 -236.61941 10.91192 2.70232 -236.78023 813.88403
4465.0000 -248.14602 -238.50713 9.63889 2.67685 -237.32896 780.38337
4470.0000 -248.47592 -237.46699 11.00893 2.61452 -238.67193 761.45945
4475.0000 -247.33281 -236.85001 10.48280 2.67615 -237.34400 812.22945
4480.0000 -248.62682 -237.72322 10.90359 2.66956 -237.48615 781.99874
4485.0000 -249.56671 -237.21642 12.35028 2.64023 -238.11801 737.77686
4490.0000 -245.54267 -235.27044 10.27223 2.73556 -236.06406 831.55957
4495.0000 -247.26188 -237.10920 10.15269 2.73349 -236.10882 825.46246
4500.0000 -246.92731 -236.39204 10.53527 2.69120 -237.01995 794.06917
FREEZING PROCESS: loop number 19 T-loop= 767.00000000000000
main_MD> interactions number 19 at Temperature= 767.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 9.66483 3.34056 -2.62253
force_rgl> df(natom) -1.54202 1.05531 -0.84936
4505.0000 -246.21622 -236.59545 9.62076 2.71369 -236.53526 795.41124
4510.0000 -248.79234 -237.79906 10.99328 2.68665 -237.11785 801.31760
4515.0000 -247.99918 -236.48521 11.51398 2.69266 -236.98844 791.83746
4520.0000 -248.30339 -238.13585 10.16754 2.70582 -236.70492 800.95648
4525.0000 -247.56347 -236.97164 10.59184 2.65127 -237.88005 764.93880
4530.0000 -248.74345 -238.04825 10.69520 2.68660 -237.11888 813.22264
4535.0000 -249.83392 -239.56136 10.27256 2.58723 -239.25983 746.06919
4540.0000 -247.16092 -237.89186 9.26906 2.61234 -238.71875 774.41808
4545.0000 -246.86669 -236.35197 10.51472 2.67137 -237.44708 796.77334
4550.0000 -248.61726 -240.31944 8.29782 2.62539 -238.43764 773.65421
4555.0000 -250.63016 -242.10304 8.52712 2.46192 -241.95960 682.36513
4560.0000 -248.25361 -239.43599 8.81762 2.54707 -240.12508 724.14096
4565.0000 -250.07612 -241.50172 8.57440 2.54379 -240.19581 722.75860
4570.0000 -247.87279 -238.75594 9.11685 2.57316 -239.56290 718.96415
4575.0000 -247.25221 -237.06006 10.19215 2.62253 -238.49926 768.98470
4580.0000 -248.87338 -239.93120 8.94218 2.60332 -238.91316 763.30195
4585.0000 -248.71755 -238.27016 10.44739 2.58527 -239.30206 731.61189
4590.0000 -248.61619 -239.75372 8.86247 2.61047 -238.75922 733.21542
4595.0000 -249.15278 -239.35273 9.80004 2.59230 -239.15059 745.21441
4600.0000 -248.29336 -237.11115 11.18221 2.63052 -238.32721 769.80604
4605.0000 -248.26857 -239.17628 9.09229 2.66315 -237.62412 779.90595
4610.0000 -248.69294 -239.48398 9.20896 2.57492 -239.52509 747.13895
4615.0000 -246.81913 -237.60940 9.20973 2.64071 -238.10769 765.23452
4620.0000 -246.24443 -236.75824 9.48619 2.71475 -236.51243 808.83278
4625.0000 -248.91736 -237.64980 11.26756 2.70674 -236.68499 791.82046
4630.0000 -247.95672 -237.50067 10.45606 2.61768 -238.60377 764.16771
4635.0000 -247.88031 -238.78990 9.09041 2.65270 -237.84921 777.54043
4640.0000 -246.80499 -236.74820 10.05679 2.64162 -238.08800 753.64194
4645.0000 -246.26083 -234.45070 11.81014 2.72697 -236.24912 818.13075
4650.0000 -246.74509 -237.53653 9.20857 2.75583 -235.62734 851.49368
4655.0000 -248.89638 -239.69446 9.20192 2.61230 -238.71970 758.78408
4660.0000 -247.02223 -236.90306 10.11917 2.57513 -239.52056 735.76497
4665.0000 -247.06066 -237.13768 9.92298 2.70010 -236.82815 791.27654
4670.0000 -248.01728 -237.31684 10.70045 2.65786 -237.73808 769.83188
4675.0000 -248.70324 -239.73704 8.96619 2.64386 -238.03976 779.92690
4680.0000 -248.34842 -238.06661 10.28181 2.63786 -238.16912 796.76326
4685.0000 -247.58546 -238.53242 9.05304 2.63332 -238.26682 766.80026
4690.0000 -249.60310 -238.29167 11.31143 2.58977 -239.20518 765.36733
4695.0000 -249.18325 -239.91795 9.26530 2.63883 -238.14809 768.73608
4700.0000 -249.05376 -240.00530 9.04846 2.57042 -239.62207 735.51015
4705.0000 -248.99004 -239.14519 9.84484 2.53768 -240.32726 721.58091
4710.0000 -247.83601 -236.96351 10.87249 2.65330 -237.83646 786.50587
4715.0000 -249.47131 -239.08360 10.38771 2.64990 -237.90973 794.11098
4720.0000 -246.66844 -237.26930 9.39914 2.63928 -238.13854 773.54298
4725.0000 -247.40208 -238.17942 9.22266 2.63495 -238.23179 748.60186
4730.0000 -246.58426 -236.99455 9.58971 2.70145 -236.79902 781.69723
4735.0000 -249.31020 -239.28286 10.02735 2.70122 -236.80408 802.82771
4740.0000 -248.11077 -238.10903 10.00175 2.59551 -239.08136 747.09579
4745.0000 -249.67781 -239.29027 10.38755 2.58576 -239.29158 752.91699
4750.0000 -249.85546 -241.38239 8.47307 2.51657 -240.78209 695.25084
FREEZING PROCESS: loop number 20 T-loop= 742.00000000000000
main_MD> interactions number 20 at Temperature= 742.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.51578 -1.45371 -1.43850
force_rgl> df(natom) -2.46456 -0.00954 1.91873
4755.0000 -251.03105 -242.69535 8.33570 2.45731 -242.05894 683.15264
4760.0000 -249.90553 -240.07120 9.83433 2.49703 -241.20307 697.80525
4765.0000 -249.52497 -240.05577 9.46920 2.55749 -239.90046 747.77075
4770.0000 -248.30912 -239.95698 8.35215 2.55444 -239.96624 723.77738
4775.0000 -247.94656 -237.39129 10.55527 2.56608 -239.71554 722.23485
4780.0000 -250.56973 -239.61138 10.95835 2.64007 -238.12134 770.33465
4785.0000 -250.34976 -241.12849 9.22127 2.58245 -239.36280 738.16761
4790.0000 -249.73591 -239.08698 10.64893 2.51762 -240.75948 729.92126
4795.0000 -247.02253 -237.89166 9.13087 2.62956 -238.34779 781.67295
4800.0000 -246.96265 -238.24495 8.71770 2.59551 -239.08149 729.98444
4805.0000 -247.93521 -238.68285 9.25235 2.61576 -238.64517 732.63275
4810.0000 -249.02501 -239.02916 9.99585 2.62363 -238.47554 770.23218
4815.0000 -248.78557 -239.67075 9.11483 2.61412 -238.68044 759.40653
4820.0000 -249.57740 -240.42448 9.15292 2.53737 -240.33396 702.79855
4825.0000 -248.47514 -239.40194 9.07320 2.52523 -240.59555 689.53458
4830.0000 -249.00551 -240.05968 8.94582 2.54307 -240.21116 711.63993
4835.0000 -248.02377 -237.95572 10.06805 2.58195 -239.37358 717.92935
4840.0000 -248.52546 -238.55364 9.97181 2.64728 -237.96617 761.88600
4845.0000 -248.69880 -240.36541 8.33339 2.61420 -238.67874 753.93598
4850.0000 -250.92802 -242.08222 8.84580 2.52093 -240.68818 700.71291
4855.0000 -248.47150 -240.23020 8.24130 2.49030 -241.34817 689.68694
4860.0000 -249.72849 -240.39111 9.33738 2.54635 -240.14061 720.34828
4865.0000 -249.06461 -238.91633 10.14829 2.58556 -239.29570 735.59114
4870.0000 -249.60035 -239.71702 9.88334 2.56839 -239.66563 725.57891
4875.0000 -249.17530 -237.26145 11.91385 2.60186 -238.94453 752.38659
4880.0000 -248.41334 -238.12455 10.28880 2.64420 -238.03238 786.56946
4885.0000 -249.09539 -238.63179 10.46360 2.66522 -237.57951 774.08041
4890.0000 -249.59520 -240.54638 9.04881 2.59928 -239.00027 744.56662
4895.0000 -249.27951 -238.42231 10.85720 2.57449 -239.53440 725.04109
4900.0000 -248.70975 -239.36080 9.34894 2.58487 -239.31070 733.21729
4905.0000 -249.57623 -239.94532 9.63091 2.64128 -238.09539 761.60899
4910.0000 -249.98033 -240.12307 9.85726 2.51517 -240.81232 706.97493
4915.0000 -247.78270 -239.09544 8.68727 2.61546 -238.65162 755.69595
4920.0000 -247.57494 -238.18022 9.39472 2.61004 -238.76840 723.06475
4925.0000 -248.53278 -238.38965 10.14313 2.58787 -239.24612 727.05965
4930.0000 -249.12095 -238.87065 10.25030 2.61386 -238.68599 752.68767
4935.0000 -249.10066 -239.89139 9.20927 2.58002 -239.41523 740.70802
4940.0000 -249.26949 -240.70084 8.56865 2.57509 -239.52135 724.63455
4945.0000 -248.11078 -238.11026 10.00052 2.58775 -239.24869 740.60289
4950.0000 -249.60050 -238.80609 10.79442 2.63819 -238.16195 752.69857
4955.0000 -249.29107 -239.42036 9.87071 2.55195 -240.01986 722.63113
4960.0000 -247.49509 -236.85175 10.64333 2.62902 -238.35956 763.44744
4965.0000 -247.67293 -237.69550 9.97743 2.69076 -237.02940 808.31189
4970.0000 -248.59096 -238.70182 9.88914 2.65895 -237.71459 792.26299
4975.0000 -249.71185 -240.14004 9.57181 2.57406 -239.54348 727.69855
4980.0000 -249.56735 -240.63430 8.93305 2.55554 -239.94247 720.64943
4985.0000 -247.04386 -237.75257 9.29129 2.62722 -238.39832 747.06983
4990.0000 -248.00418 -238.58438 9.41980 2.64219 -238.07570 782.25890
4995.0000 -248.94285 -239.95977 8.98308 2.61420 -238.67884 741.67099
5000.0000 -249.65489 -238.82377 10.83112 2.59733 -239.04227 729.40475
FREEZING PROCESS: loop number 21 T-loop= 717.00000000000000
main_MD> interactions number 21 at Temperature= 717.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.18087 1.38599 -4.90570
force_rgl> df(natom) -0.47828 -5.23814 -4.28950
5005.0000 -247.96078 -240.32955 7.63123 2.60492 -238.87872 744.20306
5010.0000 -250.01007 -240.50102 9.50906 2.52415 -240.61889 696.72571
5015.0000 -249.31446 -239.97676 9.33770 2.58038 -239.40734 742.49026
5020.0000 -250.34879 -242.11614 8.23265 2.49541 -241.23811 699.35616
5025.0000 -249.20012 -241.27905 7.92106 2.48860 -241.38477 696.69094
5030.0000 -249.96460 -241.28998 8.67463 2.50026 -241.13357 700.42258
5035.0000 -250.19800 -241.17695 9.02105 2.51327 -240.85322 693.97111
5040.0000 -249.35479 -239.06913 10.28566 2.56182 -239.80720 736.40275
5045.0000 -248.77249 -238.85256 9.91993 2.61232 -238.71917 784.12127
5050.0000 -249.46100 -240.08676 9.37424 2.62835 -238.37399 778.17288
5055.0000 -248.16757 -238.39279 9.77478 2.63973 -238.12883 774.43172
5060.0000 -247.53064 -237.74007 9.79056 2.62462 -238.45432 745.70686
5065.0000 -246.94701 -236.54818 10.39883 2.63156 -238.30474 769.39251
5070.0000 -247.89563 -237.68869 10.20694 2.70504 -236.72166 814.17753
5075.0000 -247.99680 -238.14815 9.84865 2.67454 -237.37888 795.32457
5080.0000 -249.69693 -239.88789 9.80904 2.58840 -239.23464 753.90679
5085.0000 -248.45067 -238.02593 10.42475 2.56502 -239.73825 721.87242
5090.0000 -247.69657 -237.38089 10.31568 2.66242 -237.63992 794.26224
5095.0000 -248.96145 -239.85279 9.10866 2.61462 -238.66966 733.73349
5100.0000 -249.60486 -240.58807 9.01678 2.55261 -240.00558 710.35130
5105.0000 -249.04202 -240.47603 8.56599 2.54780 -240.10927 729.78869
5110.0000 -250.14289 -240.14546 9.99743 2.52132 -240.67970 702.64846
5115.0000 -249.26129 -238.94134 10.31995 2.56801 -239.67389 738.34710
5120.0000 -249.94044 -240.75630 9.18414 2.56325 -239.77646 712.54131
5125.0000 -248.87408 -237.63383 11.24025 2.65249 -237.85385 786.83934
5130.0000 -249.50681 -239.30870 10.19811 2.62437 -238.45961 770.71428
5135.0000 -248.56114 -238.97972 9.58141 2.57058 -239.61857 733.99844
5140.0000 -249.15148 -239.91344 9.23803 2.56028 -239.84046 729.98134
5145.0000 -249.15029 -240.13396 9.01633 2.59587 -239.07374 748.99016
5150.0000 -251.48050 -241.19502 10.28548 2.53685 -240.34514 706.71611
5155.0000 -250.01376 -240.79101 9.22275 2.48910 -241.37398 658.21211
5160.0000 -248.57289 -239.19364 9.37925 2.55975 -239.85194 712.08588
5165.0000 -248.56839 -238.58067 9.98773 2.57539 -239.51501 738.44926
5170.0000 -248.10661 -239.68899 8.41762 2.56086 -239.82793 712.02818
5175.0000 -249.75031 -240.44428 9.30603 2.52675 -240.56272 681.77676
5180.0000 -248.61814 -239.65863 8.95951 2.55674 -239.91664 716.36713
5185.0000 -248.16470 -239.98259 8.18211 2.58195 -239.37366 736.31423
5190.0000 -251.52055 -241.33206 10.18849 2.48068 -241.55545 680.65061
5195.0000 -251.21150 -242.36346 8.84804 2.46774 -241.83420 706.33254
5200.0000 -249.11415 -240.15719 8.95696 2.51280 -240.86341 702.20120
5205.0000 -249.89720 -240.12925 9.76795 2.53128 -240.46532 717.08770
5210.0000 -250.90473 -242.82217 8.08256 2.49854 -241.17048 666.97897
5215.0000 -249.98978 -240.55766 9.43212 2.53740 -240.33339 705.28772
5220.0000 -249.11631 -240.93977 8.17653 2.50922 -240.94043 691.29196
5225.0000 -247.36357 -237.77655 9.58702 2.61012 -238.76676 744.99546
5230.0000 -249.42738 -239.38403 10.04335 2.59233 -239.14999 742.47627
5235.0000 -250.12254 -239.78399 10.33854 2.59823 -239.02290 744.43799
5240.0000 -250.40967 -240.96181 9.44786 2.52507 -240.59893 697.83393
5245.0000 -250.40119 -240.70109 9.70009 2.54939 -240.07503 711.50711
5250.0000 -251.16331 -241.87088 9.29243 2.49975 -241.14444 695.53038
FREEZING PROCESS: loop number 22 T-loop= 692.00000000000000
main_MD> interactions number 22 at Temperature= 692.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22618 -3.88993 0.17898
force_rgl> df(natom) 0.89551 0.38188 0.48735
5255.0000 -250.30028 -241.32266 8.97762 2.48964 -241.36230 687.80120
5260.0000 -250.70847 -242.54367 8.16480 2.46110 -241.97728 673.23767
5265.0000 -249.25117 -239.72768 9.52349 2.48846 -241.38765 683.40564
5270.0000 -249.72283 -240.30435 9.41849 2.58708 -239.26310 760.63151
5275.0000 -249.33251 -240.54166 8.79085 2.51062 -240.91031 695.96208
5280.0000 -249.97419 -239.82891 10.14528 2.51261 -240.86741 697.48637
5285.0000 -249.48867 -239.91062 9.57805 2.52511 -240.59806 712.48911
5290.0000 -249.78425 -239.48423 10.30001 2.55639 -239.92425 711.69109
5295.0000 -248.53962 -238.39650 10.14312 2.56230 -239.79687 725.38693
5300.0000 -249.65802 -240.01944 9.63857 2.60811 -238.81000 743.48967
5305.0000 -250.37301 -241.29885 9.07416 2.52495 -240.60169 689.45942
5310.0000 -250.56582 -240.97929 9.58653 2.51225 -240.87527 691.32558
5315.0000 -250.40177 -242.82632 7.57545 2.47494 -241.67908 672.74051
5320.0000 -249.36453 -241.16176 8.20277 2.47767 -241.62028 665.94393
5325.0000 -249.86032 -241.60379 8.25653 2.51102 -240.90172 701.10084
5330.0000 -249.59353 -240.90064 8.69289 2.49029 -241.34831 691.28762
5335.0000 -250.53912 -240.88936 9.64976 2.51150 -240.89137 690.48209
5340.0000 -249.65800 -239.83821 9.81979 2.51704 -240.77198 696.55557
5345.0000 -250.73386 -242.95484 7.77902 2.51346 -240.84923 684.70693
5350.0000 -249.55248 -241.41705 8.13542 2.45779 -242.04855 669.53728
5355.0000 -249.89246 -240.08443 9.80803 2.50979 -240.92828 689.86399
5360.0000 -250.17956 -241.66548 8.51408 2.48545 -241.45252 683.58703
5365.0000 -251.38849 -242.33034 9.05815 2.47364 -241.70700 661.92622
5370.0000 -250.29748 -241.57650 8.72098 2.44656 -242.29036 664.93726
5375.0000 -249.08751 -239.80875 9.27876 2.52936 -240.50659 704.59992
5380.0000 -247.96393 -239.24613 8.71780 2.56681 -239.69965 741.98308
5385.0000 -250.64141 -241.28646 9.35495 2.52584 -240.58240 712.53904
5390.0000 -249.88374 -240.89119 8.99255 2.49263 -241.29796 677.47716
5395.0000 -249.22898 -241.17740 8.05158 2.52071 -240.69286 693.91872
5400.0000 -249.16815 -239.77668 9.39147 2.54759 -240.11382 715.50062
5405.0000 -249.33977 -240.98351 8.35626 2.51699 -240.77301 705.11888
5410.0000 -248.82611 -239.91914 8.90697 2.52387 -240.62495 703.35020
5415.0000 -249.44108 -241.58255 7.85853 2.53365 -240.41421 711.53049
5420.0000 -250.07417 -241.43288 8.64129 2.47870 -241.59793 677.06804
5425.0000 -249.97487 -240.68692 9.28795 2.52676 -240.56254 709.18244
5430.0000 -249.81213 -240.79319 9.01894 2.51441 -240.82864 672.23508
5435.0000 -250.17568 -240.35867 9.81701 2.53208 -240.44809 717.53682
5440.0000 -249.58227 -240.98543 8.59683 2.51218 -240.87683 706.17888
5445.0000 -248.38074 -238.64590 9.73484 2.54405 -240.19013 727.44509
5450.0000 -247.94251 -239.54912 8.39339 2.57765 -239.46619 715.55071
5455.0000 -248.26145 -237.80089 10.46055 2.56859 -239.66132 740.27713
5460.0000 -248.30505 -239.07185 9.23320 2.57310 -239.56428 738.00762
5465.0000 -249.47522 -240.75361 8.72161 2.55138 -240.03227 719.18154
5470.0000 -250.17255 -241.65963 8.51292 2.46927 -241.80126 676.10270
5475.0000 -249.86812 -241.16961 8.69851 2.49525 -241.24139 680.68666
5480.0000 -250.70491 -241.79161 8.91330 2.46578 -241.87648 684.28239
5485.0000 -251.81053 -242.61886 9.19166 2.44478 -242.32880 655.46493
5490.0000 -249.96489 -241.90507 8.05982 2.46228 -241.95178 674.31646
5495.0000 -249.45602 -241.07069 8.38533 2.49035 -241.34702 687.80040
5500.0000 -249.67548 -240.34657 9.32891 2.52892 -240.51617 714.88042
FREEZING PROCESS: loop number 23 T-loop= 667.00000000000000
main_MD> interactions number 23 at Temperature= 667.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12872 2.63292 -1.75314
force_rgl> df(natom) 0.95640 -1.36494 -2.93510
5505.0000 -250.26341 -241.91884 8.34458 2.48321 -241.50093 676.85623
5510.0000 -249.98787 -242.15625 7.83162 2.43705 -242.49525 646.79514
5515.0000 -249.82886 -241.34275 8.48611 2.49032 -241.34760 680.08291
5520.0000 -250.69728 -242.49043 8.20685 2.48277 -241.51027 682.49667
5525.0000 -250.70340 -243.01696 7.68645 2.41251 -243.02403 628.13700
5530.0000 -250.76146 -242.36398 8.39748 2.43807 -242.47330 668.16502
5535.0000 -249.96944 -241.13030 8.83914 2.44405 -242.34448 657.16780
5540.0000 -249.65999 -240.92840 8.73160 2.51239 -240.87221 701.81006
5545.0000 -249.94816 -242.09362 7.85453 2.45191 -242.17521 642.96273
5550.0000 -251.49042 -242.40444 9.08598 2.42864 -242.67645 630.01518
5555.0000 -250.92588 -241.11413 9.81175 2.47066 -241.77126 682.43231
5560.0000 -252.20973 -243.75977 8.44995 2.43909 -242.45137 660.90477
5565.0000 -250.66939 -242.02065 8.64874 2.40921 -243.09513 641.52606
5570.0000 -251.74975 -243.40000 8.34975 2.44298 -242.36749 673.46519
5575.0000 -250.78637 -242.23364 8.55273 2.43322 -242.57788 653.77021
5580.0000 -249.70180 -241.09331 8.60848 2.48679 -241.42381 677.40798
5585.0000 -250.54327 -242.23268 8.31059 2.47420 -241.69490 661.27963
5590.0000 -250.80942 -242.84768 7.96174 2.46074 -241.98486 665.17213
5595.0000 -250.49071 -242.74608 7.74463 2.40196 -243.25129 637.15334
5600.0000 -250.08264 -240.89953 9.18311 2.48318 -241.50146 687.77241
5605.0000 -250.75327 -240.93084 9.82243 2.53925 -240.29343 707.28437
5610.0000 -250.62543 -241.84793 8.77750 2.48032 -241.56320 698.06937
5615.0000 -252.30565 -243.09572 9.20994 2.42865 -242.67632 660.78978
5620.0000 -252.13526 -244.11643 8.01882 2.37547 -243.82199 622.48747
5625.0000 -250.75772 -242.15141 8.60631 2.43031 -242.64060 652.73367
5630.0000 -252.01994 -243.63161 8.38834 2.40596 -243.16526 633.95946
5635.0000 -250.95613 -242.47946 8.47667 2.42536 -242.74715 640.88388
5640.0000 -251.10105 -241.56897 9.53208 2.48755 -241.40728 671.35455
5645.0000 -251.03506 -242.79695 8.23812 2.47510 -241.67552 691.32387
5650.0000 -250.55308 -241.74490 8.80818 2.46472 -241.89925 649.52818
5655.0000 -250.97373 -242.22152 8.75221 2.49590 -241.22736 662.33291
5660.0000 -249.18595 -241.05891 8.12704 2.47507 -241.67615 659.94829
5665.0000 -251.03649 -241.87067 9.16582 2.48012 -241.56741 664.00255
5670.0000 -250.13537 -241.28714 8.84823 2.45515 -242.10547 680.02511
5675.0000 -252.00016 -243.74657 8.25359 2.39214 -243.46284 642.33145
5680.0000 -252.05244 -243.81766 8.23478 2.40384 -243.21075 656.98321
5685.0000 -251.08541 -243.25201 7.83340 2.39369 -243.42953 633.70819
5690.0000 -249.85635 -241.42197 8.43439 2.40258 -243.23807 629.74746
5695.0000 -250.67131 -243.28509 7.38622 2.41659 -242.93613 644.40610
5700.0000 -251.21311 -242.79145 8.42167 2.40571 -243.17045 659.84517
5705.0000 -252.36892 -243.52907 8.83985 2.41945 -242.87446 676.65707
5710.0000 -252.12180 -244.41913 7.70268 2.38283 -243.66353 658.94244
5715.0000 -251.66344 -243.70130 7.96214 2.36131 -244.12713 597.76399
5720.0000 -250.77255 -242.46766 8.30489 2.39432 -243.41586 616.59581
5725.0000 -251.18904 -242.02867 9.16037 2.44432 -242.33871 653.82740
5730.0000 -251.74155 -243.43607 8.30549 2.41444 -242.98241 657.57102
5735.0000 -250.31116 -242.71133 7.59983 2.45582 -242.09098 657.02878
5740.0000 -251.49862 -243.20653 8.29209 2.41327 -243.00777 640.99070
5745.0000 -251.63837 -242.85586 8.78251 2.39253 -243.45448 619.56501
5750.0000 -251.55698 -241.74859 9.80840 2.44453 -242.33425 665.04031
FREEZING PROCESS: loop number 24 T-loop= 642.00000000000000
main_MD> interactions number 24 at Temperature= 642.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87072 0.55000 -1.20377
force_rgl> df(natom) 0.69173 0.80050 1.99645
5755.0000 -252.83959 -243.81242 9.02717 2.42426 -242.77095 663.89947
5760.0000 -252.17615 -244.33871 7.83744 2.37775 -243.77299 620.67753
5765.0000 -252.38785 -243.52249 8.86537 2.35246 -244.31787 624.22157
5770.0000 -252.36010 -243.65012 8.70998 2.41036 -243.07040 665.80013
5775.0000 -253.21899 -244.66264 8.55635 2.36931 -243.95480 639.59952
5780.0000 -250.78256 -241.84548 8.93707 2.44171 -242.39486 663.78113
5785.0000 -250.94564 -242.53262 8.41302 2.46426 -241.90914 655.89742
5790.0000 -250.59428 -242.85939 7.73489 2.41226 -243.02941 620.42830
5795.0000 -251.74843 -242.66472 9.08371 2.42929 -242.66251 640.60201
5800.0000 -250.48097 -242.18671 8.29425 2.44720 -242.27673 662.06670
5805.0000 -251.51529 -243.83284 7.68245 2.46049 -241.99044 682.33786
5810.0000 -251.34591 -244.23861 7.10730 2.37411 -243.85135 606.73057
5815.0000 -252.73987 -244.82548 7.91439 2.35478 -244.26777 604.41591
5820.0000 -250.79016 -243.05905 7.73111 2.38798 -243.55254 629.94640
5825.0000 -250.55996 -241.83416 8.72580 2.44976 -242.22150 653.58978
5830.0000 -250.93505 -241.70373 9.23131 2.48260 -241.51402 675.77405
5835.0000 -250.51010 -241.98835 8.52175 2.45972 -242.00705 659.05000
5840.0000 -251.07878 -242.30937 8.76941 2.44913 -242.23512 663.87991
5845.0000 -250.63384 -242.46665 8.16719 2.45304 -242.15094 651.56877
5850.0000 -250.82004 -242.58153 8.23851 2.45292 -242.15348 663.54494
5855.0000 -251.77354 -243.18388 8.58966 2.44151 -242.39921 685.70218
5860.0000 -250.73525 -242.32154 8.41371 2.43631 -242.51128 659.31032
5865.0000 -251.18477 -242.30676 8.87801 2.43174 -242.60975 633.23496
5870.0000 -251.71854 -242.76835 8.95019 2.45520 -242.10423 653.22291
5875.0000 -250.24805 -242.22142 8.02663 2.42708 -242.71014 655.41094
5880.0000 -250.16818 -241.77840 8.38978 2.47097 -241.76464 653.90357
5885.0000 -250.26351 -242.52186 7.74165 2.46605 -241.87047 660.90991
5890.0000 -250.67744 -241.99960 8.67784 2.42993 -242.64875 646.42610
5895.0000 -250.30602 -241.18061 9.12541 2.50983 -240.92729 696.30181
5900.0000 -251.15856 -242.97904 8.17952 2.45994 -242.00224 683.96836
5905.0000 -249.08686 -241.40772 7.67914 2.43853 -242.46346 654.61623
5910.0000 -251.76708 -243.83797 7.92912 2.42370 -242.78307 662.63197
5915.0000 -250.58786 -241.95788 8.62998 2.45440 -242.12158 652.17858
5920.0000 -251.06300 -243.05329 8.00971 2.45923 -242.01747 667.35141
5925.0000 -250.74026 -242.50797 8.23230 2.41818 -242.90194 646.35125
5930.0000 -251.27849 -243.06361 8.21488 2.40885 -243.10288 639.75814
5935.0000 -250.25925 -242.41131 7.84795 2.43361 -242.56948 668.01110
5940.0000 -251.64155 -244.05608 7.58547 2.40334 -243.22162 633.96191
5945.0000 -251.75871 -244.64412 7.11460 2.37549 -243.82163 608.35503
5950.0000 -251.84385 -244.61364 7.23021 2.31059 -245.21987 567.29008
5955.0000 -252.46172 -244.93285 7.52887 2.34724 -244.43024 595.52382
5960.0000 -252.98467 -244.57345 8.41122 2.35963 -244.16335 612.82069
5965.0000 -251.72398 -243.92364 7.80034 2.34270 -244.52804 602.40318
5970.0000 -252.80386 -244.26616 8.53770 2.37471 -243.83840 615.09831
5975.0000 -252.99919 -244.82091 8.17828 2.34257 -244.53081 607.05948
5980.0000 -251.66705 -243.67411 7.99294 2.36769 -243.98964 625.39324
5985.0000 -251.79331 -243.61005 8.18326 2.41696 -242.92827 653.50179
5990.0000 -252.39277 -243.16344 9.22933 2.37193 -243.89823 624.17467
5995.0000 -251.79001 -244.16017 7.62984 2.36173 -244.11798 608.34175
6000.0000 -250.86883 -243.05313 7.81570 2.37575 -243.81605 616.09323
FREEZING PROCESS: loop number 25 T-loop= 617.00000000000000
main_MD> interactions number 25 at Temperature= 617.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.12753 -1.86206 1.63824
force_rgl> df(natom) 2.51062 0.50667 1.43930
6005.0000 -250.91332 -242.41971 8.49362 2.44283 -242.37090 668.90250
6010.0000 -252.05484 -243.16877 8.88607 2.38793 -243.55364 617.31907
6015.0000 -250.87395 -243.57753 7.29641 2.40113 -243.26913 615.01899
6020.0000 -250.48502 -242.78003 7.70499 2.40197 -243.25102 607.38805
6025.0000 -250.14176 -242.14803 7.99373 2.42332 -242.79108 621.73078
6030.0000 -251.50375 -242.92674 8.57700 2.39795 -243.33772 623.60167
6035.0000 -250.67742 -243.03225 7.64517 2.39365 -243.43036 630.48780
6040.0000 -251.71312 -243.94490 7.76822 2.37151 -243.90741 603.27806
6045.0000 -251.98552 -244.74541 7.24011 2.37011 -243.93759 597.55738
6050.0000 -251.90016 -243.57712 8.32304 2.34119 -244.56066 587.76947
6055.0000 -251.74771 -243.21907 8.52864 2.41937 -242.87623 655.41650
6060.0000 -250.35961 -242.70538 7.65423 2.42269 -242.80465 633.14893
6065.0000 -251.72734 -243.41974 8.30760 2.42830 -242.68389 635.47799
6070.0000 -252.86425 -245.52718 7.33707 2.35589 -244.24379 616.46013
6075.0000 -253.01428 -245.50802 7.50626 2.28163 -245.84367 573.93358
6080.0000 -252.09522 -244.01255 8.08267 2.34087 -244.56745 599.24022
6085.0000 -250.73474 -241.31968 9.41506 2.46805 -241.82754 679.52995
6090.0000 -250.60652 -241.73846 8.86806 2.47493 -241.67929 675.00484
6095.0000 -251.17364 -241.77494 9.39870 2.47299 -241.72108 673.26173
6100.0000 -250.52135 -242.60254 7.91881 2.45696 -242.06633 658.77519
6105.0000 -251.03230 -242.03973 8.99257 2.46249 -241.94724 664.36360
6110.0000 -252.23691 -244.62604 7.61087 2.39223 -243.46095 626.63400
6115.0000 -250.54266 -242.18449 8.35817 2.39166 -243.47330 632.26105
6120.0000 -252.27170 -244.73317 7.53852 2.41385 -242.99527 645.73711
6125.0000 -250.34070 -243.52550 6.81520 2.34803 -244.41324 597.71252
6130.0000 -252.00929 -243.50976 8.49953 2.36940 -243.95281 598.11386
6135.0000 -252.14016 -245.12465 7.01552 2.35781 -244.20245 600.63865
6140.0000 -250.44204 -243.93274 6.50930 2.34157 -244.55230 578.45343
6145.0000 -252.74498 -244.88355 7.86142 2.36001 -244.15505 603.14188
6150.0000 -251.97331 -243.42867 8.54465 2.31616 -245.09993 569.13768
6155.0000 -252.36113 -243.34739 9.01373 2.40665 -243.15036 641.36640
6160.0000 -249.59854 -241.36135 8.23719 2.45451 -242.11915 662.52372
6165.0000 -250.73720 -243.07684 7.66036 2.45857 -242.03181 654.48996
6170.0000 -251.56539 -243.53044 8.03495 2.41302 -243.01299 633.67674
6175.0000 -251.59892 -243.44057 8.15835 2.37561 -243.81898 613.30947
6180.0000 -253.57654 -244.71770 8.85884 2.36844 -243.97357 601.00149
6185.0000 -252.20098 -244.12503 8.07595 2.34711 -244.43294 593.21689
6190.0000 -251.69274 -243.91460 7.77814 2.35895 -244.17786 601.47474
6195.0000 -251.52391 -243.95637 7.56754 2.36262 -244.09897 611.59183
6200.0000 -253.14052 -245.26347 7.87705 2.36269 -244.09732 630.75339
6205.0000 -251.85323 -243.79488 8.05836 2.34855 -244.40206 603.79578
6210.0000 -251.96044 -243.32167 8.63877 2.37377 -243.85871 613.64663
6215.0000 -250.12859 -242.51391 7.61468 2.37626 -243.80505 617.92819
6220.0000 -250.36609 -242.83071 7.53538 2.44253 -242.37725 636.27337
6225.0000 -251.21090 -242.86629 8.34461 2.41042 -243.06901 632.56495
6230.0000 -251.62350 -243.65682 7.96668 2.39380 -243.42723 628.83430
6235.0000 -252.34026 -245.07295 7.26731 2.34284 -244.52512 603.02885
6240.0000 -250.43930 -241.16113 9.27817 2.41022 -243.07341 621.54668
6245.0000 -250.84604 -241.71421 9.13183 2.45806 -242.04277 658.48209
6250.0000 -250.80781 -242.29608 8.51173 2.42918 -242.66483 636.32918
FREEZING PROCESS: loop number 26 T-loop= 592.00000000000000
main_MD> interactions number 26 at Temperature= 592.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08700 -1.27508 -0.66233
force_rgl> df(natom) 1.55808 0.15067 -0.00369
6255.0000 -253.32434 -246.17866 7.14568 2.37426 -243.84811 605.38881
6260.0000 -252.86896 -246.12583 6.74313 2.29469 -245.56251 558.03770
6265.0000 -252.18085 -243.81050 8.37034 2.32500 -244.90929 582.65530
6270.0000 -253.51445 -246.43254 7.08191 2.31217 -245.18583 580.07107
6275.0000 -253.88721 -247.08992 6.79729 2.27054 -246.08280 564.68373
6280.0000 -253.05282 -245.72901 7.32381 2.25781 -246.35693 547.37258
6285.0000 -251.91399 -245.07193 6.84206 2.28911 -245.68267 570.47182
6290.0000 -251.71357 -245.45667 6.25690 2.35378 -244.28927 590.20237
6295.0000 -251.86887 -243.72301 8.14586 2.34667 -244.44261 579.42029
6300.0000 -251.65327 -244.22409 7.42918 2.38004 -243.72350 615.58947
6305.0000 -250.64224 -243.70056 6.94168 2.37916 -243.74261 615.58299
6310.0000 -252.11840 -243.27791 8.84048 2.39265 -243.45201 611.19996
6315.0000 -251.45567 -244.03011 7.42556 2.41145 -243.04692 629.19282
6320.0000 -252.10216 -245.87769 6.22447 2.33817 -244.62575 585.37640
6325.0000 -252.43901 -244.04509 8.39392 2.34311 -244.51912 580.05802
6330.0000 -253.29111 -245.51289 7.77822 2.35435 -244.27709 637.86640
6335.0000 -253.86824 -247.36438 6.50386 2.21673 -247.24204 569.48794
6340.0000 -254.51623 -246.27696 8.23927 2.26583 -246.18416 589.79714
6345.0000 -253.43314 -244.39577 9.03737 2.32773 -244.85052 624.34404
6350.0000 -253.18773 -245.53895 7.64877 2.30693 -245.29866 598.72818
6355.0000 -253.28874 -244.38373 8.90502 2.32570 -244.89434 611.82724
6360.0000 -253.82203 -246.53131 7.29071 2.27119 -246.06871 580.68453
6365.0000 -254.82441 -246.94754 7.87688 2.22675 -247.02623 560.98259
6370.0000 -255.30992 -247.78538 7.52454 2.21067 -247.37246 572.79522
6375.0000 -253.81111 -246.92937 6.88174 2.22745 -247.01095 569.32751
6380.0000 -253.78230 -246.21094 7.57136 2.24655 -246.59955 562.35315
6385.0000 -254.07619 -247.71130 6.36489 2.23142 -246.92544 553.51790
6390.0000 -254.40600 -247.55880 6.84720 2.19774 -247.65123 514.27532
6395.0000 -252.28145 -244.64485 7.63660 2.26199 -246.26685 573.98630
6400.0000 -252.23258 -244.74221 7.49038 2.32324 -244.94721 607.73031
6405.0000 -251.36309 -242.90960 8.45349 2.35687 -244.22278 610.89968
6410.0000 -252.15221 -243.77927 8.37294 2.39626 -243.37406 639.02162
6415.0000 -250.53809 -243.08523 7.45286 2.42280 -242.80245 638.95294
6420.0000 -251.85409 -243.89119 7.96290 2.38628 -243.58926 627.98140
6425.0000 -253.10984 -243.57707 9.53277 2.34989 -244.37316 601.09782
6430.0000 -252.31859 -245.66616 6.65243 2.37093 -243.91976 617.34243
6435.0000 -253.96206 -246.25698 7.70508 2.27289 -246.03215 539.16301
6440.0000 -254.43653 -247.51851 6.91802 2.24797 -246.56890 528.07272
6445.0000 -253.81849 -245.72094 8.09755 2.24689 -246.59222 535.99889
6450.0000 -252.44545 -245.52527 6.92017 2.29268 -245.60576 580.52283
6455.0000 -252.47642 -245.47312 7.00330 2.29664 -245.52032 556.61689
6460.0000 -252.73724 -244.67250 8.06474 2.33226 -244.75299 600.98002
6465.0000 -252.53600 -243.99685 8.53915 2.32524 -244.90421 602.84239
6470.0000 -253.46269 -244.55945 8.90325 2.36611 -244.02361 649.62569
6475.0000 -252.05459 -244.30200 7.75259 2.34305 -244.52055 610.89050
6480.0000 -252.98592 -245.85904 7.12688 2.31755 -245.06995 594.22930
6485.0000 -251.47331 -243.88134 7.59198 2.32416 -244.92757 596.22203
6490.0000 -252.81893 -245.06531 7.75362 2.31894 -245.03988 603.25711
6495.0000 -251.77309 -244.16892 7.60417 2.30771 -245.28197 584.58517
6500.0000 -253.03351 -245.45039 7.58312 2.36574 -244.03165 652.73354
FREEZING PROCESS: loop number 27 T-loop= 567.00000000000000
main_MD> interactions number 27 at Temperature= 567.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68400 -0.98195 -2.23561
force_rgl> df(natom) -1.81375 -1.67901 0.23254
6505.0000 -253.58366 -247.16986 6.41380 2.25926 -246.32563 579.06816
6510.0000 -255.33493 -247.53042 7.80451 2.19005 -247.81676 536.89017
6515.0000 -254.94119 -247.72359 7.21759 2.20506 -247.49344 552.80024
6520.0000 -254.99268 -247.38734 7.60534 2.20634 -247.46593 569.94217
6525.0000 -253.99473 -247.95502 6.03971 2.19483 -247.71376 560.91315
6530.0000 -253.87107 -246.85577 7.01531 2.21146 -247.35545 553.65902
6535.0000 -253.65906 -247.32732 6.33175 2.20518 -247.49089 526.60575
6540.0000 -254.30298 -246.76710 7.53588 2.23554 -246.83672 556.35465
6545.0000 -253.74900 -246.30236 7.44664 2.25486 -246.42041 561.84405
6550.0000 -252.87886 -246.07218 6.80667 2.26654 -246.16893 554.65661
6555.0000 -253.07673 -245.56470 7.51203 2.27416 -246.00460 565.80675
6560.0000 -253.23749 -244.83246 8.40502 2.30081 -245.43061 588.00342
6565.0000 -252.47360 -245.35271 7.12089 2.31017 -245.22899 583.28403
6570.0000 -252.62464 -245.52542 7.09922 2.30368 -245.36862 565.57468
6575.0000 -254.49866 -246.57997 7.91870 2.29769 -245.49781 569.93744
6580.0000 -253.62246 -246.33032 7.29215 2.27444 -245.99863 580.64826
6585.0000 -254.32952 -247.25758 7.07194 2.22016 -247.16803 532.37760
6590.0000 -251.33031 -244.63673 6.69358 2.28250 -245.82499 564.65611
6595.0000 -253.48361 -245.84306 7.64056 2.31910 -245.03650 606.10276
6600.0000 -252.11249 -245.43557 6.67692 2.29221 -245.61573 575.46269
6605.0000 -253.98685 -245.47492 8.51192 2.30453 -245.35031 577.37975
6610.0000 -252.63103 -244.52004 8.11099 2.34299 -244.52184 626.09398
6615.0000 -253.79764 -246.25629 7.54135 2.29118 -245.63802 605.03275
6620.0000 -254.52872 -247.32510 7.20363 2.23471 -246.85472 553.31565
6625.0000 -254.14468 -247.80821 6.33648 2.23445 -246.86016 554.12137
6630.0000 -255.56773 -247.26112 8.30660 2.18582 -247.90791 534.15045
6635.0000 -254.85881 -247.82988 7.02893 2.19513 -247.70746 534.07998
6640.0000 -254.44139 -247.13056 7.31083 2.21619 -247.25371 552.61001
6645.0000 -254.10424 -246.97013 7.13411 2.23384 -246.87342 559.59995
6650.0000 -254.16089 -246.13859 8.02231 2.24940 -246.53822 585.13174
6655.0000 -253.80519 -246.38719 7.41800 2.22383 -247.08896 570.20243
6660.0000 -253.34115 -245.38059 7.96056 2.25714 -246.37134 576.08426
6665.0000 -253.35915 -245.63900 7.72015 2.28998 -245.66377 580.70392
6670.0000 -253.87698 -246.91831 6.95867 2.26676 -246.16420 564.69214
6675.0000 -253.25386 -245.06510 8.18876 2.28146 -245.84750 562.90934
6680.0000 -252.95127 -244.55009 8.40118 2.32292 -244.95421 590.00994
6685.0000 -253.52481 -246.45011 7.07471 2.30758 -245.28476 584.26675
6690.0000 -252.78347 -244.83897 7.94450 2.27813 -245.91923 548.22595
6695.0000 -251.67596 -243.54191 8.13405 2.36638 -244.01800 618.86098
6700.0000 -252.06447 -244.71913 7.34534 2.35042 -244.36175 610.65902
6705.0000 -253.32293 -245.84250 7.48044 2.31578 -245.10804 563.66085
6710.0000 -252.57307 -244.81994 7.75314 2.29066 -245.64917 547.66377
6715.0000 -252.76124 -245.14186 7.61939 2.32816 -244.84142 572.77848
6720.0000 -253.56558 -245.38231 8.18328 2.31291 -245.16977 611.73067
6725.0000 -255.39783 -247.44230 7.95553 2.25979 -246.31441 589.08069
6730.0000 -253.90935 -246.26607 7.64328 2.22357 -247.09473 573.03374
6735.0000 -253.79524 -245.61383 8.18141 2.25560 -246.40447 582.79398
6740.0000 -252.70794 -246.57776 6.13018 2.26118 -246.28443 571.09453
6745.0000 -253.65703 -245.54840 8.10864 2.26626 -246.17487 584.70663
6750.0000 -252.93988 -245.47744 7.46244 2.31010 -245.23033 585.76342
FREEZING PROCESS: loop number 28 T-loop= 542.00000000000000
main_MD> interactions number 28 at Temperature= 542.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22606 0.82401 -1.98386
force_rgl> df(natom) -1.11918 2.60844 1.45000
6755.0000 -252.47157 -245.28161 7.18997 2.28519 -245.76702 553.49770
6760.0000 -254.00730 -246.35445 7.65285 2.29896 -245.47048 567.22183
6765.0000 -254.57659 -245.93611 8.64049 2.28177 -245.84079 561.60682
6770.0000 -253.72918 -246.42544 7.30374 2.26396 -246.22455 561.47217
6775.0000 -253.22069 -246.29727 6.92342 2.26872 -246.12191 567.63421
6780.0000 -254.19799 -246.87082 7.32717 2.25273 -246.46646 562.48804
6785.0000 -253.83088 -247.92405 5.90683 2.20190 -247.56152 530.24935
6790.0000 -254.95697 -248.11836 6.83861 2.17185 -248.20882 503.09687
6795.0000 -254.11762 -246.59539 7.52223 2.21252 -247.33263 540.46168
6800.0000 -253.54616 -246.64075 6.90541 2.21247 -247.33372 540.62380
6805.0000 -253.36701 -246.39248 6.97453 2.25540 -246.40897 568.82601
6810.0000 -255.05301 -248.36447 6.68854 2.19516 -247.70681 548.50963
6815.0000 -255.71477 -248.27554 7.43922 2.17280 -248.18844 536.47596
6820.0000 -254.66229 -247.94103 6.72125 2.20515 -247.49151 561.54391
6825.0000 -254.37040 -246.78456 7.58583 2.18633 -247.89703 534.91077
6830.0000 -254.12764 -247.47813 6.64951 2.21659 -247.24498 540.06097
6835.0000 -254.40947 -247.72292 6.68656 2.20845 -247.42043 550.41249
6840.0000 -253.19240 -246.28139 6.91101 2.21533 -247.27219 535.62038
6845.0000 -251.74927 -244.71490 7.03437 2.28550 -245.76043 569.83479
6850.0000 -253.61625 -245.93043 7.68582 2.31614 -245.10038 553.78913
6855.0000 -253.36703 -246.97110 6.39593 2.27097 -246.07334 532.24435
6860.0000 -254.24159 -248.12586 6.11573 2.21774 -247.22029 544.09857
6865.0000 -254.24754 -247.84877 6.39877 2.18069 -248.01851 526.18345
6870.0000 -254.45336 -247.13238 7.32099 2.20109 -247.57892 529.38755
6875.0000 -254.40920 -247.58964 6.81955 2.21364 -247.30854 556.77071
6880.0000 -253.81915 -247.53500 6.28415 2.21489 -247.28164 550.08956
6885.0000 -254.69346 -247.95916 6.73430 2.18584 -247.90759 511.38568
6890.0000 -252.86305 -245.76867 7.09437 2.21580 -247.26211 522.03398
6895.0000 -253.22965 -244.76836 8.46129 2.30966 -245.23992 575.52932
6900.0000 -254.46882 -247.50940 6.95943 2.26792 -246.13918 577.12401
6905.0000 -254.15863 -247.76882 6.38981 2.20189 -247.56173 525.47488
6910.0000 -254.34858 -247.53378 6.81480 2.21806 -247.21326 541.98033
6915.0000 -253.21878 -246.16632 7.05246 2.23430 -246.86354 550.53606
6920.0000 -254.59901 -247.95654 6.64247 2.23223 -246.90802 562.54327
6925.0000 -254.90859 -247.41930 7.48929 2.21090 -247.36766 565.25397
6930.0000 -255.37899 -248.66454 6.71444 2.16809 -248.28985 530.38407
6935.0000 -254.30192 -247.70028 6.60164 2.17290 -248.18620 540.04689
6940.0000 -254.31813 -247.81832 6.49981 2.20597 -247.47392 540.52703
6945.0000 -252.81338 -246.13311 6.68026 2.24127 -246.71338 542.24434
6950.0000 -253.48285 -246.29793 7.18492 2.23744 -246.79591 540.61132
6955.0000 -254.40726 -246.47821 7.92905 2.26765 -246.14492 556.84301
6960.0000 -253.64001 -246.72358 6.91643 2.23289 -246.89380 535.03878
6965.0000 -253.68585 -247.57385 6.11200 2.23086 -246.93767 529.58110
6970.0000 -253.98401 -246.97837 7.00564 2.26356 -246.23304 551.65116
6975.0000 -253.11931 -245.71489 7.40442 2.24509 -246.63103 532.72093
6980.0000 -253.38721 -246.04720 7.34001 2.31063 -245.21902 581.50915
6985.0000 -254.06447 -246.09046 7.97401 2.28782 -245.71047 582.51204
6990.0000 -253.15580 -246.62048 6.53532 2.25083 -246.50745 538.82472
6995.0000 -254.01573 -246.82851 7.18722 2.24152 -246.70782 541.56417
7000.0000 -254.92772 -246.83554 8.09217 2.23919 -246.75813 537.76629
FREEZING PROCESS: loop number 29 T-loop= 517.00000000000000
main_MD> interactions number 29 at Temperature= 517.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10131 1.13665 -1.11487
force_rgl> df(natom) 0.78787 -2.61314 1.13790
7005.0000 -254.16088 -246.89749 7.26340 2.23081 -246.93865 538.40359
7010.0000 -255.05652 -249.06986 5.98666 2.16448 -248.36778 495.70603
7015.0000 -255.47312 -248.76049 6.71263 2.11969 -249.33257 479.31875
7020.0000 -255.40925 -249.16790 6.24135 2.12919 -249.12794 484.29708
7025.0000 -256.11186 -249.67283 6.43903 2.13040 -249.10201 482.96302
7030.0000 -253.44216 -246.74109 6.70107 2.17377 -248.16762 515.27261
7035.0000 -254.32529 -247.78108 6.54421 2.20415 -247.51311 528.76838
7040.0000 -253.74193 -246.97266 6.76927 2.19151 -247.78535 520.17114
7045.0000 -254.63999 -248.25910 6.38089 2.18293 -247.97024 502.88793
7050.0000 -254.00214 -246.86582 7.13632 2.21193 -247.34546 522.44984
7055.0000 -253.90190 -246.27917 7.62273 2.27118 -246.06891 549.54600
7060.0000 -254.65481 -247.67875 6.97605 2.23765 -246.79122 533.81693
7065.0000 -253.40310 -246.36122 7.04188 2.22092 -247.15174 546.32719
7070.0000 -253.15074 -245.57710 7.57364 2.24744 -246.58042 549.93666
7075.0000 -253.96805 -246.39043 7.57762 2.24782 -246.57216 561.92320
7080.0000 -253.69983 -247.00651 6.69332 2.24771 -246.57463 562.27900
7085.0000 -255.63384 -248.69749 6.93634 2.18648 -247.89371 522.33444
7090.0000 -256.15839 -249.82221 6.33619 2.13683 -248.96347 495.61645
7095.0000 -256.28932 -250.14224 6.14708 2.11626 -249.40666 495.75329
7100.0000 -255.65535 -249.32012 6.33523 2.09981 -249.76086 481.75709
7105.0000 -255.13995 -248.79711 6.34284 2.12874 -249.13760 497.18273
7110.0000 -255.72050 -248.90735 6.81314 2.14412 -248.80642 494.14201
7115.0000 -255.30891 -249.00287 6.30605 2.13093 -249.09059 495.39927
7120.0000 -255.66477 -249.69143 5.97334 2.13453 -249.01302 504.54634
7125.0000 -254.93956 -248.56421 6.37535 2.11753 -249.37927 493.82938
7130.0000 -254.61856 -248.43449 6.18407 2.16824 -248.28658 500.89405
7135.0000 -255.34743 -248.84562 6.50181 2.13247 -249.05723 500.96333
7140.0000 -256.67235 -250.61651 6.05585 2.10636 -249.61979 492.42154
7145.0000 -256.14070 -249.27718 6.86353 2.10903 -249.56241 493.60484
7150.0000 -256.32240 -249.82882 6.49358 2.11639 -249.40368 503.75414
7155.0000 -256.19645 -249.68523 6.51122 2.12567 -249.20391 521.03261
7160.0000 -255.69649 -247.83768 7.85881 2.13547 -248.99278 518.12572
7165.0000 -256.69253 -249.01662 7.67590 2.17483 -248.14475 551.90774
7170.0000 -255.85234 -248.43993 7.41241 2.13632 -248.97436 533.53561
7175.0000 -255.73205 -248.03620 7.69585 2.14612 -248.76324 528.86064
7180.0000 -256.19503 -248.17934 8.01569 2.15302 -248.61452 549.45442
7185.0000 -255.86290 -249.78585 6.07705 2.13483 -249.00657 522.82308
7190.0000 -255.68246 -249.65335 6.02911 2.10209 -249.71187 512.17867
7195.0000 -256.40868 -250.10182 6.30687 2.08834 -250.00815 494.34570
7200.0000 -256.74259 -249.56402 7.17856 2.12196 -249.28378 530.19781
7205.0000 -257.24100 -250.27705 6.96395 2.08251 -250.13360 500.40752
7210.0000 -255.46064 -249.11142 6.34923 2.09763 -249.80794 506.06467
7215.0000 -254.98115 -248.09404 6.88712 2.14034 -248.88788 524.94306
7220.0000 -255.52864 -248.21397 7.31467 2.16993 -248.25037 534.13132
7225.0000 -255.79977 -249.09683 6.70295 2.14933 -248.69402 538.43447
7230.0000 -255.03077 -249.23622 5.79455 2.17897 -248.05550 533.26392
7235.0000 -255.85531 -249.15834 6.69697 2.13039 -249.10224 485.66984
7240.0000 -255.19972 -247.83468 7.36504 2.15684 -248.53234 518.81910
7245.0000 -255.43712 -248.10903 7.32809 2.16589 -248.33730 528.29017
7250.0000 -256.07166 -249.73944 6.33222 2.14135 -248.86609 495.64583
FREEZING PROCESS: loop number 30 T-loop= 492.00000000000000
main_MD> interactions number 30 at Temperature= 492.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05046 1.87017 0.26119
force_rgl> df(natom) -0.52150 1.85161 -0.97710
7255.0000 -255.90700 -249.69850 6.20850 2.10238 -249.70568 476.33460
7260.0000 -256.07673 -249.28310 6.79363 2.12794 -249.15493 520.89002
7265.0000 -255.48562 -248.09597 7.38965 2.13537 -248.99493 535.28873
7270.0000 -257.07942 -250.29040 6.78902 2.13084 -249.09253 527.49926
7275.0000 -256.73798 -250.08181 6.65616 2.07431 -250.31035 478.88598
7280.0000 -257.66205 -250.92778 6.73427 2.05647 -250.69472 482.69455
7285.0000 -257.13104 -250.73474 6.39629 2.05030 -250.82755 481.38401
7290.0000 -255.31401 -248.74086 6.57315 2.11185 -249.50163 506.19059
7295.0000 -257.18644 -250.57905 6.60739 2.08445 -250.09192 507.57276
7300.0000 -257.19766 -251.33167 5.86599 2.06131 -250.59044 487.68476
7305.0000 -257.70810 -251.94615 5.76195 2.02125 -251.45358 462.91611
7310.0000 -256.93644 -250.96774 5.96871 2.01877 -251.50684 458.22222
7315.0000 -257.68996 -250.99560 6.69436 2.04503 -250.94116 478.64218
7320.0000 -256.34331 -249.97279 6.37052 2.08668 -250.04374 510.69356
7325.0000 -256.96628 -250.70970 6.25658 2.07809 -250.22886 502.80780
7330.0000 -257.94586 -251.61653 6.32934 2.02945 -251.27686 469.46673
7335.0000 -256.64872 -250.18510 6.46362 2.03264 -251.20810 460.25316
7340.0000 -256.95875 -250.78552 6.17323 2.09122 -249.94602 515.42219
7345.0000 -256.45822 -250.31297 6.14525 2.07748 -250.24215 500.83505
7350.0000 -256.17499 -249.75335 6.42164 2.08666 -250.04427 506.83512
7355.0000 -257.05250 -250.40378 6.64872 2.08296 -250.12397 506.46425
7360.0000 -256.58936 -250.52132 6.06804 2.04843 -250.86796 473.53790
7365.0000 -256.61320 -249.66707 6.94613 2.09989 -249.75930 510.84805
7370.0000 -256.38817 -249.68835 6.69982 2.10025 -249.75156 509.84176
7375.0000 -257.65500 -251.66079 5.99421 2.05076 -250.81773 474.52575
7380.0000 -256.92329 -250.65934 6.26394 2.02620 -251.34681 456.96731
7385.0000 -256.04000 -250.29290 5.74710 2.06606 -250.48807 482.71963
7390.0000 -255.74527 -249.57122 6.17405 2.06824 -250.44122 485.06958
7395.0000 -256.33013 -251.01270 5.31744 2.07933 -250.20224 487.38178
7400.0000 -256.02963 -250.25731 5.77232 2.07663 -250.26030 481.90894
7405.0000 -256.24987 -250.15651 6.09336 2.05309 -250.76754 476.54392
7410.0000 -256.75222 -250.56299 6.18923 2.07011 -250.40088 480.49422
7415.0000 -256.73353 -250.06211 6.67143 2.10058 -249.74437 505.78093
7420.0000 -256.53334 -249.41220 7.12113 2.10077 -249.74022 505.30365
7425.0000 -257.31102 -250.87525 6.43577 2.08858 -250.00285 511.58136
7430.0000 -256.76017 -249.90192 6.85825 2.08849 -250.00489 521.22895
7435.0000 -255.92569 -249.89176 6.03393 2.11871 -249.35378 536.49310
7440.0000 -256.53926 -249.18066 7.35859 2.11975 -249.33139 540.37317
7445.0000 -257.74437 -251.12399 6.62038 2.06657 -250.47711 496.03446
7450.0000 -257.01957 -251.04141 5.97816 2.02269 -251.42238 470.82195
7455.0000 -256.60092 -250.15509 6.44583 2.07328 -250.33243 505.37435
7460.0000 -256.57911 -250.25366 6.32545 2.11053 -249.53008 523.02417
7465.0000 -257.84511 -251.29696 6.54815 2.06491 -250.51293 497.00782
7470.0000 -257.23195 -250.41339 6.81856 2.05883 -250.64378 495.31618
7475.0000 -257.22816 -251.11504 6.11311 2.04400 -250.96330 483.68791
7480.0000 -258.18051 -252.78471 5.39580 1.98382 -252.25993 441.61223
7485.0000 -257.27938 -251.03054 6.24884 2.00352 -251.83557 453.47853
7490.0000 -257.64684 -251.79357 5.85327 2.03378 -251.18350 481.33740
7495.0000 -257.56796 -251.33910 6.22886 2.02671 -251.33581 474.69832
7500.0000 -257.32615 -251.89283 5.43332 2.00183 -251.87188 447.68585
FREEZING PROCESS: loop number 31 T-loop= 467.00000000000000
main_MD> interactions number 31 at Temperature= 467.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75937 0.47326 -1.63673
force_rgl> df(natom) -1.39727 3.05581 1.34135
7505.0000 -257.86906 -252.13669 5.73237 1.98890 -252.15040 437.02641
7510.0000 -258.47404 -252.89714 5.57690 1.99703 -251.97539 447.32830
7515.0000 -256.96915 -249.44576 7.52339 2.00938 -251.70912 464.96979
7520.0000 -257.51012 -251.88109 5.62903 2.02367 -251.40137 476.03233
7525.0000 -257.84070 -252.32041 5.52029 1.98890 -252.15052 443.37869
7530.0000 -257.30592 -250.49299 6.81293 2.02707 -251.32814 469.69262
7535.0000 -257.23128 -250.37183 6.85945 2.05990 -250.62075 498.34114
7540.0000 -256.29940 -251.05864 5.24076 2.04742 -250.88975 485.65029
7545.0000 -257.33062 -249.95813 7.37248 2.06770 -250.45277 497.01586
7550.0000 -257.89070 -250.82869 7.06201 2.04952 -250.84453 487.46769
7555.0000 -256.58907 -251.75009 4.83897 2.03512 -251.15475 469.20405
7560.0000 -258.30032 -252.34882 5.95150 1.99270 -252.06849 448.59616
7565.0000 -259.06741 -253.58585 5.48155 1.95315 -252.92075 422.63273
7570.0000 -257.73658 -251.79316 5.94341 1.96572 -252.64986 427.62418
7575.0000 -258.44596 -251.82372 6.62225 1.99886 -251.93587 451.86135
7580.0000 -257.86519 -251.77146 6.09373 2.00317 -251.84302 460.24109
7585.0000 -256.98253 -251.32175 5.66078 2.00681 -251.76468 462.54607
7590.0000 -257.30846 -251.81553 5.49293 2.02201 -251.43718 467.28444
7595.0000 -257.69881 -251.96312 5.73568 2.00914 -251.71447 467.90812
7600.0000 -257.07863 -250.54621 6.53242 2.01259 -251.64007 463.98050
7605.0000 -256.89128 -249.94616 6.94513 2.07072 -250.38759 504.33962
7610.0000 -257.68012 -251.12661 6.55350 2.05758 -250.67076 488.70388
7615.0000 -257.17480 -251.10562 6.06918 2.02371 -251.40054 472.92899
7620.0000 -256.72396 -251.25163 5.47233 2.02211 -251.43486 467.79128
7625.0000 -257.27293 -250.72369 6.54924 2.04164 -251.01409 469.25249
7630.0000 -256.83183 -250.81103 6.02080 2.04301 -250.98468 478.33684
7635.0000 -258.27741 -252.22159 6.05582 2.02547 -251.36259 477.14914
7640.0000 -256.65317 -250.77177 5.88140 2.01476 -251.59323 464.09994
7645.0000 -258.21076 -251.41395 6.79681 2.02385 -251.39757 469.27550
7650.0000 -258.79784 -252.83989 5.95796 1.96692 -252.62391 431.02229
7655.0000 -256.78550 -251.06326 5.72224 2.00949 -251.70687 461.80053
7660.0000 -257.43323 -252.06883 5.36440 2.01495 -251.58915 459.44004
7665.0000 -257.98817 -251.71729 6.27087 2.00199 -251.86845 447.97887
7670.0000 -257.14048 -251.88739 5.25310 2.01329 -251.62497 464.62960
7675.0000 -257.40280 -251.77032 5.63248 2.00269 -251.85342 457.42122
7680.0000 -256.91035 -250.91878 5.99157 2.03262 -251.20843 467.26848
7685.0000 -257.79977 -251.09642 6.70335 2.01427 -251.60392 466.27824
7690.0000 -258.39313 -251.80014 6.59299 2.01967 -251.48743 468.44265
7695.0000 -256.37184 -250.18210 6.18973 2.02566 -251.35858 476.56881
7700.0000 -256.99088 -250.84433 6.14656 2.03702 -251.11376 483.99491
7705.0000 -257.82445 -251.61967 6.20478 2.04047 -251.03931 481.06285
7710.0000 -258.73073 -252.09072 6.64001 2.00524 -251.79851 458.32101
7715.0000 -257.16892 -251.10262 6.06630 2.01325 -251.62585 465.01673
7720.0000 -257.74047 -251.44948 6.29100 2.02741 -251.32072 475.62761
7725.0000 -257.86386 -251.37263 6.49123 2.02312 -251.41316 471.88067
7730.0000 -258.49396 -251.75407 6.73989 2.01446 -251.59986 463.54975
7735.0000 -257.59672 -251.58550 6.01121 2.04358 -250.97233 489.50776
7740.0000 -256.68997 -250.39722 6.29276 2.05028 -250.82798 487.78946
7745.0000 -257.45543 -251.15816 6.29727 2.05299 -250.76960 491.44680
7750.0000 -256.66224 -251.46478 5.19746 2.02901 -251.28637 463.28760
FREEZING PROCESS: loop number 32 T-loop= 442.00000000000000
main_MD> interactions number 32 at Temperature= 442.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.52585 0.83688 -1.41310
force_rgl> df(natom) 1.92363 -0.72170 -1.47731
7755.0000 -256.89964 -251.63168 5.26796 2.00415 -251.82189 448.94987
7760.0000 -257.98962 -252.76039 5.22924 1.97923 -252.35879 422.66183
7765.0000 -258.01744 -252.24129 5.77615 1.95387 -252.90518 414.78115
7770.0000 -257.70784 -251.64533 6.06251 1.98447 -252.24581 445.08561
7775.0000 -258.01181 -251.89760 6.11421 2.01801 -251.52331 469.58524
7780.0000 -258.39794 -252.96635 5.43159 1.98868 -252.15527 445.33853
7785.0000 -257.69577 -252.09476 5.60101 1.99764 -251.96206 453.73945
7790.0000 -258.03842 -252.78460 5.25382 1.97599 -252.42856 436.72804
7795.0000 -258.17498 -252.70175 5.47323 1.95781 -252.82021 416.87974
7800.0000 -258.87235 -253.16392 5.70844 1.96140 -252.74291 424.24495
7805.0000 -257.37920 -252.13871 5.24049 1.94829 -253.02545 416.72507
7810.0000 -257.12392 -252.03809 5.08583 1.98103 -252.32010 445.39257
7815.0000 -257.68433 -251.51281 6.17152 2.00360 -251.83374 456.91640
7820.0000 -257.59027 -251.79714 5.79313 2.00717 -251.75677 449.27619
7825.0000 -257.48184 -251.59529 5.88654 2.02317 -251.41223 472.29379
7830.0000 -257.90879 -252.14652 5.76227 1.98309 -252.27560 440.96820
7835.0000 -258.44082 -252.94141 5.49942 1.95157 -252.95464 421.64885
7840.0000 -258.59537 -253.35921 5.23616 1.95178 -252.95010 419.80758
7845.0000 -258.86974 -252.91167 5.95807 1.95161 -252.95380 419.01292
7850.0000 -257.91988 -252.38589 5.53399 1.96504 -252.66457 432.75885
7855.0000 -258.12096 -252.73821 5.38275 1.98585 -252.21610 440.38389
7860.0000 -258.00821 -251.63121 6.37700 1.96631 -252.63705 430.18532
7865.0000 -258.35874 -252.90378 5.45496 1.97298 -252.49342 432.65401
7870.0000 -258.13677 -252.51531 5.62146 1.95897 -252.79519 429.57743
7875.0000 -257.20495 -251.46251 5.74245 1.97449 -252.46098 434.79391
7880.0000 -258.12919 -251.82622 6.30297 2.03595 -251.13677 475.64874
7885.0000 -257.79870 -251.28122 6.51749 2.01681 -251.54914 465.56516
7890.0000 -258.04363 -252.67480 5.36883 2.00043 -251.90208 451.54570
7895.0000 -257.50180 -252.18612 5.31568 1.95259 -252.93269 406.53430
7900.0000 -257.38063 -252.01536 5.36527 1.99412 -252.03804 443.82579
7905.0000 -257.63886 -252.19694 5.44192 1.99910 -251.93079 445.41673
7910.0000 -258.21654 -252.98919 5.22735 1.95477 -252.88573 411.66143
7915.0000 -257.43836 -251.29931 6.13905 1.99624 -251.99240 443.77297
7920.0000 -257.33347 -251.64151 5.69196 2.01297 -251.63188 454.72293
7925.0000 -256.49411 -251.05585 5.43826 2.01836 -251.51575 464.88410
7930.0000 -256.71065 -251.27579 5.43486 2.03508 -251.15563 485.02765
7935.0000 -256.96298 -250.51755 6.44543 2.05598 -250.70521 490.85087
7940.0000 -258.28735 -251.34921 6.93814 2.02650 -251.34037 469.24206
7945.0000 -257.90067 -251.89019 6.01049 2.02491 -251.37471 466.44413
7950.0000 -257.87622 -252.71300 5.16322 1.97871 -252.37000 432.99148
7955.0000 -257.40235 -251.54700 5.85535 1.97809 -252.38342 442.95237
7960.0000 -256.99102 -251.26411 5.72691 2.01925 -251.49656 469.71032
7965.0000 -257.50066 -250.87838 6.62228 2.01355 -251.61943 467.80641
7970.0000 -257.34324 -250.50972 6.83353 2.05704 -250.68240 496.59679
7975.0000 -258.26195 -252.62656 5.63539 2.00624 -251.77693 462.03338
7980.0000 -258.78768 -253.16556 5.62212 1.94767 -253.03882 412.70424
7985.0000 -257.71074 -252.16813 5.54261 1.96226 -252.72434 429.40455
7990.0000 -257.80436 -252.05395 5.75041 1.99820 -251.95017 446.17378
7995.0000 -258.31832 -252.12450 6.19383 1.97409 -252.46956 432.85452
8000.0000 -257.60847 -252.31715 5.29132 1.97052 -252.54647 432.21600
FREEZING PROCESS: loop number 33 T-loop= 417.00000000000000
main_MD> interactions number 33 at Temperature= 417.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03566 2.81491 -1.93037
force_rgl> df(natom) 2.81689 2.22752 0.94859
8005.0000 -257.94003 -252.71404 5.22600 1.96474 -252.67092 429.05127
8010.0000 -257.88611 -252.31171 5.57440 1.96168 -252.73686 421.85390
8015.0000 -257.92440 -252.11123 5.81317 2.01771 -251.52983 470.33474
8020.0000 -258.45801 -252.54833 5.90968 1.97095 -252.53711 429.75821
8025.0000 -258.34298 -253.30112 5.04186 1.94660 -253.06186 416.10963
8030.0000 -257.65152 -252.60861 5.04291 1.95387 -252.90523 422.83198
8035.0000 -258.31529 -253.28611 5.02918 1.95045 -252.97873 419.11332
8040.0000 -258.98722 -254.14230 4.84491 1.90687 -253.91777 389.79611
8045.0000 -258.82116 -253.33705 5.48411 1.92991 -253.42145 401.41802
8050.0000 -257.67215 -252.44898 5.22317 1.94950 -252.99936 413.79902
8055.0000 -258.24571 -252.66306 5.58264 1.96826 -252.59502 434.32955
8060.0000 -257.55997 -251.53430 6.02567 2.01365 -251.61726 468.93621
8065.0000 -257.62245 -251.08055 6.54190 2.00710 -251.75827 464.79640
8070.0000 -258.35793 -252.55046 5.80747 1.99821 -251.94983 453.28478
8075.0000 -259.09393 -253.76868 5.32525 1.93006 -253.41814 403.32188
8080.0000 -258.55396 -253.04766 5.50630 1.93213 -253.37361 403.89773
8085.0000 -257.62143 -251.93152 5.68990 2.00386 -251.82807 452.11177
8090.0000 -257.47610 -251.95061 5.52549 1.98626 -252.20727 446.22380
8095.0000 -258.11480 -252.15776 5.95705 1.98401 -252.25573 446.09827
8100.0000 -257.68120 -252.09955 5.58165 2.00283 -251.85037 460.43340
8105.0000 -258.19847 -252.45529 5.74318 1.95808 -252.81443 425.76106
8110.0000 -257.46654 -252.90824 4.55831 1.96207 -252.72850 425.22625
8115.0000 -258.40154 -253.40500 4.99654 1.93441 -253.32432 407.92294
8120.0000 -258.49675 -253.73778 4.75897 1.92756 -253.47193 403.56500
8125.0000 -259.07557 -253.82490 5.25067 1.93402 -253.33289 408.77663
8130.0000 -257.37534 -252.06564 5.30970 1.93580 -253.29443 411.24874
8135.0000 -258.61371 -253.80014 4.81357 1.93182 -253.38023 407.66769
8140.0000 -258.28325 -253.47630 4.80695 1.88740 -254.33717 370.90852
8145.0000 -259.59887 -254.52565 5.07322 1.90067 -254.05126 381.16454
8150.0000 -258.82291 -253.78707 5.03583 1.89267 -254.22366 378.64538
8155.0000 -258.78501 -253.57613 5.20888 1.91960 -253.64348 399.39461
8160.0000 -258.34643 -252.40180 5.94463 1.93014 -253.41649 403.46303
8165.0000 -259.09871 -253.34721 5.75150 1.95038 -252.98030 419.60061
8170.0000 -258.55667 -253.21170 5.34497 1.92088 -253.61584 398.40449
8175.0000 -257.96055 -252.99609 4.96445 1.94700 -253.05320 416.22746
8180.0000 -259.10278 -253.23813 5.86465 1.94331 -253.13265 419.52293
8185.0000 -258.41659 -252.74403 5.67256 1.94910 -253.00798 422.34198
8190.0000 -259.41192 -254.26711 5.14481 1.93532 -253.30489 414.18207
8195.0000 -258.84905 -253.54605 5.30301 1.91022 -253.84548 395.03731
8200.0000 -258.89205 -254.01665 4.87540 1.93482 -253.31565 411.35461
8205.0000 -258.88663 -252.70176 6.18487 1.92282 -253.57399 399.23312
8210.0000 -258.27149 -252.00172 6.26977 1.97168 -252.52152 432.43148
8215.0000 -257.69992 -253.00330 4.69663 1.97027 -252.55188 431.19506
8220.0000 -258.80994 -252.89715 5.91279 1.94656 -253.06267 413.01240
8225.0000 -258.38149 -252.74105 5.64044 1.94329 -253.13311 412.30837
8230.0000 -258.87897 -252.91616 5.96281 1.97398 -252.47186 429.31664
8235.0000 -258.38341 -253.40330 4.98011 1.94683 -253.05686 413.38983
8240.0000 -257.92026 -252.34174 5.57852 1.95260 -252.93250 418.16143
8245.0000 -258.75837 -253.77696 4.98140 1.96863 -252.58716 430.93894
8250.0000 -257.75802 -252.42138 5.33665 1.94659 -253.06201 419.28019
FREEZING PROCESS: loop number 34 T-loop= 392.00000000000000
main_MD> interactions number 34 at Temperature= 392.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.25560 -0.74525 1.04005
force_rgl> df(natom) 2.76421 -1.29604 -0.52211
8255.0000 -258.81006 -252.86407 5.94599 1.97338 -252.48485 436.53792
8260.0000 -258.85496 -253.54620 5.30876 1.93499 -253.31184 409.19577
8265.0000 -259.18768 -254.43461 4.75307 1.90905 -253.87069 387.33225
8270.0000 -258.98987 -254.47123 4.51864 1.88526 -254.38333 372.49624
8275.0000 -258.42098 -253.75633 4.66465 1.91607 -253.71946 399.01283
8280.0000 -258.56446 -253.39764 5.16682 1.90889 -253.87423 391.77987
8285.0000 -258.07858 -253.61320 4.46539 1.93196 -253.37726 404.16473
8290.0000 -258.18123 -252.39943 5.78180 1.93072 -253.40393 402.50995
8295.0000 -258.76785 -252.80734 5.96050 1.95032 -252.98165 418.13445
8300.0000 -259.13443 -254.00639 5.12804 1.94743 -253.04382 413.79486
8305.0000 -258.34071 -253.56612 4.77459 1.92488 -253.52978 393.18594
8310.0000 -259.47468 -254.01710 5.45758 1.92211 -253.58932 392.21094
8315.0000 -258.82773 -253.76217 5.06556 1.90217 -254.01899 382.88863
8320.0000 -258.89473 -254.25296 4.64177 1.88985 -254.28432 372.57948
8325.0000 -258.94016 -254.32474 4.61542 1.89462 -254.18170 376.46123
8330.0000 -258.41045 -254.11690 4.29355 1.91221 -253.80275 391.76743
8335.0000 -259.83445 -254.49647 5.33798 1.88155 -254.46313 368.89188
8340.0000 -258.82472 -253.68011 5.14461 1.89691 -254.13231 379.65759
8345.0000 -258.43320 -253.41553 5.01766 1.92300 -253.57023 394.83468
8350.0000 -258.33398 -253.23165 5.10232 1.93633 -253.28312 412.11233
8355.0000 -259.23045 -254.42349 4.80696 1.92756 -253.47196 402.09227
8360.0000 -258.70055 -253.13389 5.56666 1.92522 -253.52232 403.25659
8365.0000 -257.93855 -253.38390 4.55465 1.93549 -253.30117 405.96231
8370.0000 -258.88241 -254.35926 4.52315 1.91326 -253.77998 392.13702
8375.0000 -258.38085 -253.69023 4.69062 1.92036 -253.62704 398.48562
8380.0000 -258.57885 -253.19800 5.38085 1.93763 -253.25506 408.65322
8385.0000 -258.16182 -252.33403 5.82779 1.96082 -252.75541 411.13818
8390.0000 -258.69919 -253.88244 4.81675 1.94777 -253.03647 410.45294
8395.0000 -258.34465 -252.59032 5.75433 1.93812 -253.24456 407.42371
8400.0000 -258.88278 -253.29560 5.58718 1.95405 -252.90135 420.07008
8405.0000 -258.63627 -254.00399 4.63229 1.91277 -253.79069 386.78530
8410.0000 -257.98765 -253.52893 4.45873 1.90770 -253.89980 387.25028
8415.0000 -258.08548 -253.14445 4.94103 1.93766 -253.25437 403.25129
8420.0000 -259.01826 -253.15624 5.86201 1.94004 -253.20313 409.22534
8425.0000 -258.79614 -253.31372 5.48242 1.93408 -253.33152 404.09949
8430.0000 -257.88186 -251.94813 5.93373 1.93566 -253.29752 404.65412
8435.0000 -257.24938 -252.36392 4.88546 1.98660 -252.20003 439.45355
8440.0000 -258.47248 -252.76200 5.71048 1.97486 -252.45299 434.39174
8445.0000 -258.70388 -253.22011 5.48377 1.93698 -253.26912 403.74170
8450.0000 -257.77471 -253.20552 4.56918 1.95127 -252.96106 416.35936
8455.0000 -259.79473 -254.98107 4.81366 1.90837 -253.88547 383.09299
8460.0000 -258.85880 -254.06640 4.79240 1.86825 -254.74976 351.77114
8465.0000 -258.42656 -252.97239 5.45417 1.92383 -253.55238 394.24701
8470.0000 -258.58980 -253.55712 5.03268 1.92967 -253.42656 397.79872
8475.0000 -259.09161 -253.26513 5.82648 1.90352 -253.98997 378.35855
8480.0000 -257.80744 -252.39967 5.40777 1.95200 -252.94533 415.16011
8485.0000 -257.87634 -252.38641 5.48993 1.98220 -252.29471 438.20333
8490.0000 -258.26606 -253.76724 4.49882 1.94992 -252.99021 407.13278
8495.0000 -258.39711 -253.71811 4.67900 1.91293 -253.78717 382.23519
8500.0000 -258.85692 -253.83225 5.02467 1.92863 -253.44893 395.42287
FREEZING PROCESS: loop number 35 T-loop= 367.00000000000000
main_MD> interactions number 35 at Temperature= 367.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49470 1.57177 1.14836
force_rgl> df(natom) 0.67473 -1.84048 0.42748
8505.0000 -257.83479 -252.82102 5.01377 1.93031 -253.41279 396.60236
8510.0000 -258.69427 -254.16937 4.52490 1.92506 -253.52593 392.71688
8515.0000 -259.27288 -254.44251 4.83037 1.89021 -254.27666 370.47098
8520.0000 -258.80307 -253.51604 5.28703 1.90342 -253.99208 377.78774
8525.0000 -258.81976 -253.40839 5.41137 1.92546 -253.51720 399.62889
8530.0000 -257.92784 -252.75389 5.17395 1.95946 -252.78476 413.96955
8535.0000 -259.29763 -253.55407 5.74355 1.94607 -253.07314 409.10482
8540.0000 -259.59196 -255.27760 4.31436 1.87516 -254.60087 359.90433
8545.0000 -259.12532 -254.48316 4.64216 1.87314 -254.64437 357.27941
8550.0000 -258.73782 -253.99654 4.74128 1.90616 -253.93298 381.02364
8555.0000 -259.10957 -253.81403 5.29554 1.90570 -253.94290 379.91478
8560.0000 -258.81113 -253.89625 4.91488 1.89579 -254.15638 372.97097
8565.0000 -258.98861 -254.31277 4.67584 1.89606 -254.15066 374.51223
8570.0000 -259.19994 -254.88258 4.31736 1.89591 -254.15381 372.24395
8575.0000 -258.87446 -253.75971 5.11475 1.90780 -253.89759 385.40206
8580.0000 -259.20039 -254.53459 4.66579 1.89276 -254.22177 373.86999
8585.0000 -259.23700 -254.87537 4.36163 1.87850 -254.52895 363.34209
8590.0000 -259.58832 -255.08689 4.50143 1.84274 -255.29933 332.34291
8595.0000 -259.29430 -255.06935 4.22495 1.84681 -255.21167 335.33657
8600.0000 -259.55386 -255.19099 4.36287 1.85842 -254.96157 344.49091
8605.0000 -258.50679 -253.55296 4.95383 1.88469 -254.39554 364.02967
8610.0000 -258.58118 -254.26520 4.31598 1.90336 -253.99343 382.40803
8615.0000 -259.13562 -255.04771 4.08790 1.87085 -254.69376 353.67555
8620.0000 -259.39159 -254.81945 4.57214 1.85047 -255.13290 337.67874
8625.0000 -259.32378 -253.78376 5.54002 1.88934 -254.29538 365.24645
8630.0000 -259.02759 -253.66767 5.35992 1.92309 -253.56838 394.15858
8635.0000 -258.82176 -254.21953 4.60223 1.89891 -254.08916 375.29041
8640.0000 -259.89129 -255.10937 4.78192 1.87702 -254.56092 357.24208
8645.0000 -258.87655 -254.00656 4.86999 1.86269 -254.86966 346.48311
8650.0000 -260.02075 -255.51962 4.50113 1.86364 -254.84908 348.82432
8655.0000 -259.28659 -255.53232 3.75426 1.85203 -255.09918 339.27755
8660.0000 -259.66218 -255.18213 4.48006 1.84541 -255.24185 334.83110
8665.0000 -258.89469 -253.91729 4.97740 1.85168 -255.10672 338.55878
8670.0000 -259.32050 -254.43930 4.88120 1.89036 -254.27352 367.29567
8675.0000 -258.94236 -254.06009 4.88227 1.88611 -254.36490 366.48307
8680.0000 -259.23420 -254.88872 4.34548 1.87070 -254.69704 353.73307
8685.0000 -259.38827 -254.67258 4.71569 1.87895 -254.51929 361.29240
8690.0000 -258.86926 -253.64543 5.22383 1.89731 -254.12360 377.72311
8695.0000 -258.52587 -253.45341 5.07246 1.92311 -253.56779 395.84420
8700.0000 -258.61886 -253.29734 5.32152 1.94093 -253.18394 407.88593
8705.0000 -259.25273 -254.14605 5.10669 1.90835 -253.88579 382.85959
8710.0000 -259.47038 -254.33301 5.13737 1.87045 -254.70244 350.96358
8715.0000 -258.58450 -253.58754 4.99696 1.90462 -253.96622 380.28350
8720.0000 -259.36801 -254.95372 4.41429 1.89894 -254.08857 374.43836
8725.0000 -259.81784 -255.55026 4.26758 1.85999 -254.92776 343.80965
8730.0000 -259.66143 -254.58768 5.07375 1.84995 -255.14402 337.91146
8735.0000 -259.29534 -255.03727 4.25806 1.87111 -254.68808 356.15476
8740.0000 -259.46551 -255.05846 4.40705 1.85191 -255.10183 337.64925
8745.0000 -259.07040 -254.36789 4.70251 1.87074 -254.69610 350.99498
8750.0000 -259.00297 -254.22447 4.77849 1.90886 -253.87483 383.32392
FREEZING PROCESS: loop number 36 T-loop= 342.00000000000000
main_MD> interactions number 36 at Temperature= 342.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32808 0.03562 -0.13578
force_rgl> df(natom) -0.42648 0.17710 0.49617
8755.0000 -259.54735 -255.25108 4.29627 1.85682 -254.99602 342.76699
8760.0000 -259.16806 -254.80735 4.36071 1.85664 -254.99992 340.87864
8765.0000 -259.06126 -254.68043 4.38083 1.86120 -254.90172 346.06310
8770.0000 -259.78144 -255.77808 4.00336 1.83625 -255.43916 328.00636
8775.0000 -259.03784 -254.85749 4.18035 1.85140 -255.11286 338.02100
8780.0000 -259.24198 -254.70244 4.53954 1.85987 -254.93023 348.19122
8785.0000 -259.63214 -255.23857 4.39357 1.86645 -254.78853 351.73295
8790.0000 -259.49284 -255.06681 4.42602 1.83928 -255.37386 331.13686
8795.0000 -259.33912 -255.09249 4.24664 1.84522 -255.24594 338.42863
8800.0000 -259.59833 -255.29737 4.30096 1.85555 -255.02332 341.01567
8805.0000 -259.46749 -254.66482 4.80266 1.85050 -255.13222 339.79764
8810.0000 -259.65185 -255.51317 4.13868 1.85746 -254.98231 341.61162
8815.0000 -259.52508 -254.88078 4.64430 1.84756 -255.19555 337.62366
8820.0000 -258.68888 -254.60395 4.08494 1.86950 -254.72288 354.13350
8825.0000 -259.40704 -253.90787 5.49918 1.89245 -254.22847 373.08308
8830.0000 -258.98334 -254.15720 4.82614 1.90737 -253.90705 384.03043
8835.0000 -259.39580 -254.88264 4.51315 1.88093 -254.47669 361.27499
8840.0000 -259.79656 -255.19767 4.59888 1.84743 -255.19841 336.63014
8845.0000 -259.08346 -254.72236 4.36109 1.87684 -254.56471 359.16216
8850.0000 -259.40146 -254.62429 4.77718 1.87779 -254.54426 360.57102
8855.0000 -259.40119 -255.28412 4.11706 1.85497 -255.03581 342.99717
8860.0000 -259.35883 -255.09180 4.26702 1.85252 -255.08859 339.80127
8865.0000 -259.85803 -255.16891 4.68912 1.85849 -254.96010 343.50479
8870.0000 -259.11959 -254.92961 4.18998 1.83813 -255.39873 329.87532
8875.0000 -259.73186 -255.36588 4.36599 1.83500 -255.46605 325.72618
8880.0000 -259.77127 -255.46314 4.30813 1.83739 -255.41473 328.21753
8885.0000 -259.01480 -254.39174 4.62306 1.85966 -254.93488 343.85507
8890.0000 -259.39770 -254.55109 4.84661 1.86948 -254.72333 354.32267
8895.0000 -259.50743 -254.20764 5.29978 1.89894 -254.08862 374.05256
8900.0000 -259.75484 -254.84583 4.90900 1.87878 -254.52282 362.13878
8905.0000 -259.21132 -253.65199 5.55933 1.89332 -254.20963 366.89678
8910.0000 -258.53523 -254.00136 4.53387 1.91836 -253.67017 385.64831
8915.0000 -259.19167 -254.07426 5.11741 1.90267 -254.00818 380.50638
8920.0000 -259.10998 -254.28650 4.82348 1.89654 -254.14028 372.91410
8925.0000 -258.97938 -255.06992 3.90946 1.85022 -255.13819 338.09858
8930.0000 -259.69960 -255.17233 4.52728 1.84521 -255.24610 335.61798
8935.0000 -259.25932 -254.45540 4.80392 1.87354 -254.63581 357.90535
8940.0000 -259.55910 -255.22396 4.33514 1.86974 -254.71759 352.01929
8945.0000 -259.64599 -255.80618 3.83981 1.84649 -255.21849 336.52205
8950.0000 -259.87203 -255.97056 3.90147 1.81771 -255.83868 316.06096
8955.0000 -259.81017 -254.96033 4.84984 1.82073 -255.77350 314.50919
8960.0000 -259.74063 -255.61028 4.13034 1.84650 -255.21843 334.93374
8965.0000 -259.29934 -254.95834 4.34101 1.86496 -254.82069 349.72325
8970.0000 -259.45992 -254.84307 4.61685 1.84448 -255.26199 334.53275
8975.0000 -259.49160 -255.06948 4.42212 1.85686 -254.99508 343.79812
8980.0000 -259.34502 -255.29049 4.05453 1.84644 -255.21966 333.71442
8985.0000 -259.45476 -255.00632 4.44844 1.85476 -255.04037 341.52760
8990.0000 -260.12559 -255.44524 4.68035 1.85332 -255.07137 341.98699
8995.0000 -258.95476 -254.49198 4.46278 1.85156 -255.10941 339.01973
9000.0000 -259.86309 -255.05421 4.80888 1.86781 -254.75929 352.95400
FREEZING PROCESS: loop number 37 T-loop= 317.00000000000000
main_MD> interactions number 37 at Temperature= 317.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.37816 -1.93365 -0.84417
force_rgl> df(natom) -1.55743 -1.22150 2.78868
9005.0000 -259.68988 -255.38514 4.30475 1.85310 -255.07617 341.70874
9010.0000 -259.82669 -255.65700 4.16969 1.82904 -255.59445 321.84970
9015.0000 -260.43577 -255.91133 4.52445 1.82966 -255.58119 324.72048
9020.0000 -259.73944 -255.10737 4.63207 1.84328 -255.28763 334.25597
9025.0000 -260.31683 -256.49220 3.82463 1.82562 -255.66827 321.31096
9030.0000 -260.35231 -256.61179 3.74051 1.80444 -256.12451 303.21598
9035.0000 -260.20657 -256.48044 3.72613 1.78201 -256.60767 285.57502
9040.0000 -260.01741 -256.02496 3.99246 1.79585 -256.30952 295.69765
9045.0000 -259.64386 -255.43699 4.20687 1.79914 -256.23863 298.91251
9050.0000 -259.30660 -254.89435 4.41225 1.84126 -255.33135 331.32318
9055.0000 -260.22589 -256.55526 3.67062 1.82908 -255.59369 324.08102
9060.0000 -259.46646 -255.55375 3.91271 1.79324 -256.36577 293.59404
9065.0000 -259.49375 -254.78692 4.70682 1.83075 -255.55772 322.30768
9070.0000 -259.91548 -255.73310 4.18239 1.84370 -255.27869 332.96029
9075.0000 -259.45037 -254.84432 4.60605 1.83404 -255.48691 326.66596
9080.0000 -259.83157 -255.97757 3.85401 1.83116 -255.54886 325.24419
9085.0000 -260.16657 -256.05843 4.10814 1.80912 -256.02364 307.26998
9090.0000 -259.73524 -255.96313 3.77211 1.79354 -256.35935 296.82293
9095.0000 -259.85478 -255.91886 3.93592 1.82710 -255.63631 319.76887
9100.0000 -260.08646 -256.12376 3.96270 1.82308 -255.72284 317.93562
9105.0000 -259.96595 -255.81717 4.14878 1.81558 -255.88446 311.00243
9110.0000 -260.45074 -256.36943 4.08131 1.80955 -256.01452 306.59263
9115.0000 -259.74560 -256.01899 3.72661 1.80493 -256.11404 303.30563
9120.0000 -259.40997 -254.93716 4.47281 1.82959 -255.58274 323.60683
9125.0000 -258.62931 -254.51051 4.11881 1.88295 -254.43318 360.55499
9130.0000 -259.82095 -255.93663 3.88432 1.85665 -254.99958 345.97795
9135.0000 -259.52200 -255.77502 3.74698 1.81296 -255.94090 309.69843
9140.0000 -259.59232 -255.17157 4.42075 1.82942 -255.58625 323.04440
9145.0000 -259.45886 -254.95315 4.50572 1.84328 -255.28776 334.89888
9150.0000 -260.09728 -256.21330 3.88398 1.82474 -255.68713 317.79195
9155.0000 -260.45703 -256.45437 4.00266 1.81681 -255.85800 312.74080
9160.0000 -259.88209 -255.46433 4.41776 1.81174 -255.96731 308.50610
9165.0000 -260.03400 -255.86882 4.16519 1.82073 -255.77353 315.68036
9170.0000 -260.11208 -256.03662 4.07546 1.80642 -256.08176 305.30298
9175.0000 -259.82847 -255.67761 4.15086 1.81015 -256.00153 308.63765
9180.0000 -259.88470 -255.91675 3.96795 1.82290 -255.72671 316.11616
9185.0000 -259.85972 -255.70421 4.15551 1.82304 -255.72374 316.08757
9190.0000 -260.31688 -255.96031 4.35657 1.82222 -255.74153 316.90254
9195.0000 -260.20170 -256.12285 4.07885 1.80941 -256.01748 305.89166
9200.0000 -260.14352 -256.41142 3.73210 1.79785 -256.26644 298.42632
9205.0000 -260.04741 -256.56983 3.47757 1.79880 -256.24611 299.22496
9210.0000 -260.25803 -255.29291 4.96513 1.81832 -255.82539 313.92839
9215.0000 -259.99037 -255.56722 4.42315 1.82780 -255.62122 321.39491
9220.0000 -259.92048 -255.98391 3.93656 1.80604 -256.08996 304.60064
9225.0000 -259.98999 -255.70418 4.28580 1.80064 -256.20644 300.89946
9230.0000 -260.11620 -255.96857 4.14763 1.80513 -256.10969 303.21433
9235.0000 -259.85339 -256.07112 3.78227 1.80630 -256.08438 304.05830
9240.0000 -259.97667 -255.80602 4.17066 1.81621 -255.87098 312.33569
9245.0000 -260.24408 -256.36257 3.88151 1.81195 -255.96274 309.09406
9250.0000 -260.02435 -256.08599 3.93835 1.80793 -256.04940 306.36867
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 16 [min], 32.9167794 [s].
main_MD> Deallocating global variables
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