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nanoparticlesims/growth_Melting_Silver_ICO_3269/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: 1750
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> 2.3696709987287078E-002 -1.6427251538731015E-002 4.6208017320091416E-002 initial drift of cluster / NP1 for coalescence
init> 0.29899345085030044 0.31712014418969053 0.29576387825954087 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7130278193093914E-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) -1.52241 3.83804 1.04190
force_rgl> df(natom) -1.10777 0.65017 -1.31643
preparo> THERMALIZATION PROCESS AT 1192.4001462327528
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -222.91737766984707 12.851558439099694 -235.76893610894678 7.0377669634692178E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1171.0000000000000
main_MD> interactions number 1 at Temperature= 1171.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.69497 1.10913 3.16858
force_rgl> df(natom) -0.81454 -1.54258 -0.10280
5.0000 -240.82430 -225.94918 14.87512 3.33372 -223.17720 1169.84073
10.0000 -241.53624 -225.12790 16.40835 3.22160 -225.59266 1123.65001
15.0000 -237.93805 -220.40776 17.53029 3.36609 -222.47976 1193.15051
20.0000 -236.36258 -220.07574 16.28684 3.40593 -221.62145 1235.68102
25.0000 -238.67787 -222.43901 16.23886 3.48557 -219.90557 1261.72399
30.0000 -238.73006 -224.25666 14.47340 3.35095 -222.80589 1195.95063
35.0000 -238.37224 -224.30208 14.07016 3.24339 -225.12336 1127.60928
40.0000 -238.55760 -223.15614 15.40146 3.33783 -223.08863 1217.40443
45.0000 -237.59526 -223.11387 14.48139 3.30026 -223.89796 1149.14000
50.0000 -238.73873 -221.23789 17.50084 3.43681 -220.95613 1243.48985
55.0000 -236.03159 -220.29421 15.73738 3.43030 -221.09646 1246.19726
60.0000 -236.22404 -220.17152 16.05252 3.43758 -220.93966 1219.05576
65.0000 -238.88482 -220.57499 18.30982 3.44688 -220.73912 1255.84063
70.0000 -237.97474 -224.86148 13.11325 3.31266 -223.63100 1204.55253
75.0000 -237.74157 -222.95212 14.78945 3.36363 -222.53270 1213.79268
80.0000 -239.14354 -224.42639 14.71715 3.33186 -223.21718 1199.16856
85.0000 -239.09787 -224.68923 14.40864 3.28915 -224.13736 1151.91210
90.0000 -237.91445 -220.80978 17.10466 3.33899 -223.06371 1182.26964
95.0000 -235.97430 -221.13871 14.83559 3.45212 -220.62642 1250.06199
100.0000 -239.99497 -224.81384 15.18114 3.36783 -222.44224 1216.45233
105.0000 -241.26152 -224.87271 16.38881 3.17431 -226.61155 1116.46679
110.0000 -238.78337 -223.75435 15.02903 3.31735 -223.52985 1171.91021
115.0000 -238.65210 -221.95597 16.69612 3.29746 -223.95833 1160.01742
120.0000 -238.56567 -222.89794 15.66774 3.39446 -221.86847 1187.37540
125.0000 -237.83628 -221.98136 15.85492 3.30458 -223.80508 1155.53669
130.0000 -239.17253 -224.88925 14.28328 3.37729 -222.23844 1230.83793
135.0000 -238.01491 -224.49285 13.52206 3.30131 -223.87537 1154.30145
140.0000 -237.28206 -222.04219 15.23987 3.30475 -223.80127 1164.49361
145.0000 -237.49468 -224.39762 13.09705 3.34312 -222.97469 1190.05246
150.0000 -241.88188 -226.86825 15.01363 3.20803 -225.88503 1134.96901
155.0000 -237.79333 -221.42979 16.36355 3.26801 -224.59288 1158.36412
160.0000 -239.74665 -223.12997 16.61668 3.31000 -223.68818 1221.29986
165.0000 -240.51797 -224.84622 15.67175 3.31292 -223.62538 1189.47785
170.0000 -240.61905 -226.17086 14.44818 3.22414 -225.53791 1134.55143
175.0000 -240.83755 -227.71747 13.12008 3.16188 -226.87934 1084.25754
180.0000 -240.13130 -228.05874 12.07256 3.11115 -227.97229 1031.67992
185.0000 -239.98994 -225.87223 14.11771 3.14254 -227.29608 1064.49143
190.0000 -240.77411 -228.25608 12.51803 3.13503 -227.45781 1039.17839
195.0000 -239.96505 -225.71627 14.24877 3.21662 -225.69997 1105.14101
200.0000 -238.88630 -223.45389 15.43240 3.33172 -223.22030 1160.58275
205.0000 -241.19852 -226.59428 14.60424 3.19129 -226.24583 1099.82870
210.0000 -238.38561 -224.58073 13.80488 3.22860 -225.44190 1109.84095
215.0000 -238.91088 -226.91519 11.99569 3.19935 -226.07210 1116.68823
220.0000 -240.02522 -226.27450 13.75072 3.22406 -225.53978 1127.19767
225.0000 -239.65601 -225.23910 14.41690 3.15678 -226.98923 1091.17775
230.0000 -236.44456 -222.00065 14.44391 3.30412 -223.81481 1167.12277
235.0000 -241.16108 -226.09252 15.06857 3.26759 -224.60197 1120.06409
240.0000 -239.85124 -223.88199 15.96925 3.28421 -224.24389 1160.91877
245.0000 -240.57182 -224.86185 15.70996 3.29673 -223.97410 1152.97943
250.0000 -240.67644 -224.80912 15.86732 3.23737 -225.25295 1131.97075
FREEZING PROCESS: loop number 2 T-loop= 1146.0000000000000
main_MD> interactions number 2 at Temperature= 1146.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36926 1.97312 2.11695
force_rgl> df(natom) 5.15097 -4.10193 2.51741
255.0000 -239.19993 -224.64351 14.55643 3.25814 -224.80545 1137.04619
260.0000 -239.57687 -224.67989 14.89698 3.28838 -224.15409 1154.96075
265.0000 -237.74164 -221.59640 16.14524 3.33835 -223.07753 1185.08945
270.0000 -240.01863 -223.76222 16.25641 3.33430 -223.16476 1184.73645
275.0000 -239.95562 -224.30504 15.65058 3.24427 -225.10430 1138.61035
280.0000 -238.06454 -222.79030 15.27424 3.27422 -224.45897 1160.96668
285.0000 -239.16811 -224.96301 14.20510 3.29649 -223.97927 1153.50414
290.0000 -239.76420 -224.63392 15.13028 3.26554 -224.64607 1143.19042
295.0000 -236.51420 -223.32192 13.19228 3.26736 -224.60680 1138.69094
300.0000 -238.01480 -223.27142 14.74338 3.31077 -223.67171 1143.03192
305.0000 -240.64724 -225.79801 14.84923 3.22931 -225.42653 1114.85445
310.0000 -237.50404 -222.77440 14.72963 3.24179 -225.15772 1156.91249
315.0000 -241.88307 -226.77871 15.10436 3.24223 -225.14835 1154.85828
320.0000 -240.26623 -225.21285 15.05338 3.21072 -225.82724 1095.68298
325.0000 -238.64077 -223.88948 14.75130 3.27267 -224.49256 1164.04322
330.0000 -239.22882 -227.05480 12.17402 3.23201 -225.36850 1102.38154
335.0000 -240.34528 -225.34332 15.00197 3.22233 -225.57696 1127.01316
340.0000 -240.68743 -224.73258 15.95485 3.27052 -224.53888 1170.52306
345.0000 -238.87990 -225.74185 13.13805 3.25219 -224.93372 1087.86559
350.0000 -239.43219 -225.18330 14.24889 3.21104 -225.82030 1111.65503
355.0000 -237.22365 -223.74924 13.47441 3.26237 -224.71447 1130.33589
360.0000 -239.79833 -225.43998 14.35835 3.28496 -224.22768 1135.69902
365.0000 -239.50789 -225.49213 14.01576 3.27085 -224.53175 1147.90607
370.0000 -238.26951 -222.76026 15.50925 3.35964 -222.61886 1214.70568
375.0000 -239.74037 -224.18684 15.55354 3.27301 -224.48508 1175.31667
380.0000 -239.89895 -224.79604 15.10291 3.33300 -223.19259 1172.92839
385.0000 -239.89579 -226.96872 12.92707 3.23193 -225.37023 1116.73653
390.0000 -236.20031 -221.46827 14.73204 3.28908 -224.13886 1137.35213
395.0000 -239.34162 -224.97360 14.36802 3.25443 -224.88541 1139.04218
400.0000 -241.69631 -229.35111 12.34519 3.16258 -226.86423 1076.62279
405.0000 -238.20520 -224.47328 13.73192 3.15007 -227.13379 1064.80699
410.0000 -241.43320 -226.28287 15.15032 3.17020 -226.70020 1085.96304
415.0000 -239.90417 -226.43254 13.47163 3.14374 -227.27016 1065.46053
420.0000 -240.05998 -226.74914 13.31085 3.15711 -226.98213 1074.15798
425.0000 -237.87858 -223.25101 14.62758 3.26392 -224.68089 1140.85942
430.0000 -239.29968 -225.59801 13.70167 3.27990 -224.33670 1151.33109
435.0000 -238.73576 -223.95862 14.77714 3.30776 -223.73640 1168.36872
440.0000 -238.70658 -223.28292 15.42366 3.26995 -224.55099 1127.95292
445.0000 -236.33927 -221.31933 15.01994 3.37765 -222.23065 1187.97093
450.0000 -236.86226 -221.78220 15.08006 3.41882 -221.34372 1260.75466
455.0000 -241.12440 -226.33222 14.79218 3.27358 -224.47295 1176.50505
460.0000 -239.68204 -225.51632 14.16572 3.25252 -224.92649 1126.99731
465.0000 -237.52428 -223.66297 13.86131 3.25597 -224.85233 1114.88819
470.0000 -239.35076 -225.15521 14.19555 3.24496 -225.08951 1115.58170
475.0000 -239.14992 -223.63739 15.51253 3.29897 -223.92585 1144.16028
480.0000 -239.03807 -224.28284 14.75522 3.24123 -225.16984 1124.72585
485.0000 -240.67267 -225.30096 15.37172 3.26248 -224.71195 1165.91557
490.0000 -240.12102 -224.67884 15.44218 3.30005 -223.90248 1189.54497
495.0000 -239.55894 -224.66927 14.88967 3.20219 -226.01088 1093.92150
500.0000 -237.83809 -224.37850 13.45958 3.28821 -224.15763 1158.00458
FREEZING PROCESS: loop number 3 T-loop= 1121.0000000000000
main_MD> interactions number 3 at Temperature= 1121.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07423 5.05938 1.81639
force_rgl> df(natom) -5.02876 -2.40732 -3.11475
505.0000 -240.09058 -227.89675 12.19383 3.24501 -225.08846 1141.67218
510.0000 -238.97873 -224.59646 14.38227 3.16877 -226.73102 1062.54487
515.0000 -239.49442 -225.34501 14.14941 3.19488 -226.16840 1097.99425
520.0000 -238.15326 -224.13747 14.01579 3.25182 -224.94172 1127.33490
525.0000 -238.73565 -222.71574 16.01991 3.31347 -223.61344 1158.83474
530.0000 -238.87255 -224.31387 14.55868 3.35800 -222.65407 1180.34681
535.0000 -238.35744 -224.31197 14.04547 3.25754 -224.81841 1134.09772
540.0000 -240.18895 -227.36647 12.82248 3.24493 -225.09000 1124.28354
545.0000 -240.56792 -224.92117 15.64676 3.18166 -226.45325 1084.27619
550.0000 -239.85278 -224.66379 15.18899 3.24098 -225.17510 1136.64640
555.0000 -239.94966 -226.70382 13.24584 3.16939 -226.71748 1099.73314
560.0000 -241.04907 -226.74429 14.30478 3.22475 -225.52486 1116.22621
565.0000 -241.89285 -226.45819 15.43467 3.21186 -225.80247 1117.28918
570.0000 -242.40052 -229.06430 13.33621 3.13302 -227.50110 1064.69857
575.0000 -240.82556 -226.04203 14.78353 3.07665 -228.71554 1039.40414
580.0000 -238.87170 -225.05562 13.81608 3.22906 -225.43209 1125.65794
585.0000 -240.54556 -224.44367 16.10189 3.30392 -223.81915 1189.95075
590.0000 -237.71969 -223.11272 14.60697 3.29501 -224.01111 1162.28896
595.0000 -240.25142 -224.83819 15.41324 3.28953 -224.12921 1184.14642
600.0000 -241.16685 -227.73982 13.42703 3.23039 -225.40331 1103.19650
605.0000 -239.82972 -226.20265 13.62707 3.14937 -227.14890 1063.01808
610.0000 -240.00221 -223.50175 16.50045 3.25892 -224.78876 1127.94455
615.0000 -241.03556 -223.94715 17.08841 3.27552 -224.43114 1158.77829
620.0000 -236.56204 -222.29747 14.26457 3.37186 -222.35546 1228.90388
625.0000 -239.28935 -224.32438 14.96497 3.35846 -222.64424 1230.33900
630.0000 -240.60382 -223.90167 16.70215 3.30235 -223.85300 1212.78262
635.0000 -239.05207 -224.18026 14.87181 3.24836 -225.01616 1158.90109
640.0000 -240.54237 -225.98387 14.55849 3.30898 -223.71009 1159.45414
645.0000 -241.79565 -226.70189 15.09375 3.20297 -225.99416 1100.56460
650.0000 -240.86461 -225.04820 15.81641 3.23126 -225.38469 1142.56531
655.0000 -242.68189 -225.67372 17.00817 3.24373 -225.11588 1133.31409
660.0000 -240.22985 -225.69328 14.53656 3.19872 -226.08556 1127.01969
665.0000 -238.61885 -223.97317 14.64568 3.30824 -223.72618 1180.24187
670.0000 -240.08638 -223.63775 16.44863 3.30326 -223.83350 1173.92870
675.0000 -240.96758 -228.08482 12.88276 3.25257 -224.92553 1135.93272
680.0000 -242.13637 -226.15995 15.97642 3.15014 -227.13226 1076.87457
685.0000 -240.48811 -227.12489 13.36321 3.16438 -226.82544 1103.17071
690.0000 -238.78260 -223.26455 15.51806 3.29550 -224.00054 1147.82827
695.0000 -240.59549 -226.41372 14.18177 3.23355 -225.33528 1111.50083
700.0000 -240.56918 -224.28509 16.28410 3.21541 -225.72614 1111.09109
705.0000 -239.68404 -223.92359 15.76046 3.28446 -224.23842 1163.24187
710.0000 -239.97133 -225.01527 14.95606 3.21346 -225.76813 1098.21210
715.0000 -239.62731 -224.03464 15.59266 3.23451 -225.31455 1111.59810
720.0000 -236.60756 -221.44053 15.16703 3.33289 -223.19506 1172.49835
725.0000 -241.77854 -228.76372 13.01482 3.29342 -224.04542 1179.37940
730.0000 -240.70291 -229.26163 11.44128 3.04885 -229.31448 997.06227
735.0000 -241.32379 -229.66872 11.65506 3.05919 -229.09184 1015.21011
740.0000 -240.05732 -226.20154 13.85578 3.17981 -226.49305 1089.33389
745.0000 -239.51012 -224.14153 15.36859 3.23509 -225.30213 1125.64136
750.0000 -241.05045 -226.15401 14.89644 3.26743 -224.60534 1161.36953
FREEZING PROCESS: loop number 4 T-loop= 1096.0000000000000
main_MD> interactions number 4 at Temperature= 1096.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.49873 1.55176 0.68429
force_rgl> df(natom) 1.47122 -2.32268 0.01602
755.0000 -241.52289 -229.21932 12.30357 3.21213 -225.79667 1112.91875
760.0000 -241.33046 -228.46207 12.86840 3.09255 -228.37295 1033.54459
765.0000 -241.70398 -226.65431 15.04967 3.13206 -227.52183 1055.18613
770.0000 -241.04908 -229.40283 11.64625 3.09378 -228.34663 1010.67152
775.0000 -242.16231 -229.07743 13.08487 3.04944 -229.30180 1016.28473
780.0000 -240.98466 -226.44735 14.53731 3.09648 -228.28833 1043.85333
785.0000 -241.97287 -227.23899 14.73388 3.22885 -225.43663 1115.10550
790.0000 -239.79957 -226.61806 13.18150 3.15444 -227.03960 1061.29617
795.0000 -240.75177 -226.94551 13.80626 3.18019 -226.48493 1107.01329
800.0000 -238.02678 -223.13567 14.89110 3.30709 -223.75089 1165.45227
805.0000 -239.26997 -224.24268 15.02730 3.33125 -223.23033 1187.62031
810.0000 -236.60783 -222.00738 14.60046 3.32547 -223.35484 1165.71943
815.0000 -237.47086 -224.17582 13.29504 3.35854 -222.64254 1221.94152
820.0000 -240.49146 -226.96286 13.52860 3.25719 -224.82600 1126.63498
825.0000 -240.96940 -226.18882 14.78058 3.19429 -226.18117 1104.75666
830.0000 -241.36726 -228.14586 13.22140 3.17473 -226.60243 1099.93420
835.0000 -241.60293 -227.62885 13.97408 3.17010 -226.70230 1091.19381
840.0000 -240.92400 -227.75268 13.17132 3.17200 -226.66125 1080.07376
845.0000 -238.43743 -225.48454 12.95289 3.18319 -226.42021 1079.76853
850.0000 -239.61515 -226.09121 13.52394 3.18719 -226.33415 1102.72699
855.0000 -239.90960 -225.67617 14.23343 3.21681 -225.69586 1124.72444
860.0000 -242.59437 -228.97990 13.61447 3.09215 -228.38164 1026.67639
865.0000 -243.86891 -229.49397 14.37494 3.04825 -229.32743 1040.27717
870.0000 -239.02465 -225.13161 13.89304 3.16344 -226.84569 1079.67979
875.0000 -241.83881 -227.23067 14.60814 3.21451 -225.74537 1102.33564
880.0000 -240.25456 -225.60182 14.65274 3.26515 -224.65451 1141.99609
885.0000 -237.86719 -222.88186 14.98533 3.29150 -224.08684 1150.98146
890.0000 -239.79397 -223.50271 16.29127 3.30111 -223.87967 1155.52674
895.0000 -238.90124 -225.29811 13.60312 3.24778 -225.02859 1136.43254
900.0000 -239.61151 -224.73148 14.88003 3.25985 -224.76860 1149.66895
905.0000 -239.93244 -227.66889 12.26354 3.17443 -226.60898 1069.77032
910.0000 -242.10858 -228.22082 13.88776 3.16844 -226.73803 1077.97881
915.0000 -244.20939 -231.26979 12.93960 3.04443 -229.40979 1007.95065
920.0000 -242.31376 -231.18134 11.13242 2.94768 -231.49409 960.67253
925.0000 -243.20604 -230.01800 13.18804 3.02301 -229.87119 983.96027
930.0000 -240.60680 -228.71464 11.89216 3.05771 -229.12360 1000.33552
935.0000 -243.14691 -229.50056 13.64635 3.07940 -228.65630 1041.86618
940.0000 -241.11493 -228.63696 12.47796 3.08850 -228.46030 1033.49957
945.0000 -240.41174 -225.47650 14.93523 3.11170 -227.96056 1048.72959
950.0000 -240.71412 -228.89018 11.82394 3.17013 -226.70168 1089.17700
955.0000 -242.55390 -226.33334 16.22056 3.14905 -227.15583 1075.91291
960.0000 -242.21189 -225.63984 16.57204 3.17409 -226.61628 1092.90329
965.0000 -240.36978 -225.37699 14.99280 3.18424 -226.39769 1082.30671
970.0000 -238.94181 -224.67695 14.26485 3.27944 -224.34666 1145.17719
975.0000 -239.41564 -226.38077 13.03487 3.19781 -226.10530 1105.42216
980.0000 -241.63148 -228.87806 12.75343 3.11755 -227.83449 1038.32934
985.0000 -242.36198 -229.56022 12.80176 3.05132 -229.26141 989.72202
990.0000 -239.54385 -226.60154 12.94232 3.09290 -228.36559 1047.47470
995.0000 -241.79019 -226.90196 14.88823 3.10635 -228.07565 1051.42290
1000.0000 -239.58573 -227.38568 12.20004 3.15590 -227.00822 1066.23655
FREEZING PROCESS: loop number 5 T-loop= 1071.0000000000000
main_MD> interactions number 5 at Temperature= 1071.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86639 -1.20830 0.42850
force_rgl> df(natom) 2.17112 1.38467 -1.84416
1005.0000 -240.11744 -227.46339 12.65404 3.14825 -227.17310 1046.09867
1010.0000 -242.20658 -227.18256 15.02401 3.15642 -226.99698 1093.87455
1015.0000 -242.27689 -227.59485 14.68204 3.12470 -227.68041 1065.43714
1020.0000 -245.06289 -233.55021 11.51268 3.02235 -229.88550 1010.66156
1025.0000 -242.36691 -229.52127 12.84563 3.00128 -230.33931 991.91629
1030.0000 -243.26947 -228.57510 14.69436 3.03396 -229.63529 1002.66530
1035.0000 -240.43539 -226.54573 13.88966 3.13162 -227.53139 1047.05554
1040.0000 -237.99216 -225.40234 12.58982 3.20515 -225.94708 1114.05207
1045.0000 -242.21148 -227.36707 14.84440 3.16798 -226.74795 1074.92109
1050.0000 -240.83717 -227.49567 13.34151 3.18544 -226.37180 1092.66491
1055.0000 -240.40785 -225.82235 14.58550 3.18914 -226.29214 1094.21026
1060.0000 -240.53943 -225.38749 15.15194 3.27366 -224.47105 1141.60939
1065.0000 -241.67837 -226.98041 14.69796 3.21760 -225.67890 1104.87683
1070.0000 -240.81223 -227.25207 13.56017 3.20265 -226.00093 1103.72436
1075.0000 -238.48625 -226.87166 11.61459 3.17229 -226.65514 1105.60499
1080.0000 -240.85026 -227.99578 12.85449 3.19493 -226.16723 1088.30369
1085.0000 -238.36070 -225.74182 12.61889 3.14534 -227.23578 1097.63144
1090.0000 -241.99155 -227.83052 14.16103 3.16557 -226.79984 1090.53776
1095.0000 -241.53241 -228.30655 13.22587 3.09853 -228.24429 1051.18163
1100.0000 -240.47436 -225.35321 15.12115 3.22862 -225.44156 1127.10797
1105.0000 -238.85286 -224.62153 14.23134 3.26901 -224.57137 1147.98250
1110.0000 -239.84479 -226.43698 13.40781 3.20873 -225.86999 1102.01005
1115.0000 -241.36801 -226.46789 14.90011 3.24432 -225.10335 1113.99122
1120.0000 -239.56944 -226.19748 13.37196 3.13813 -227.39097 1058.98221
1125.0000 -238.49422 -223.38654 15.10768 3.26256 -224.71017 1145.18340
1130.0000 -241.82992 -225.72626 16.10366 3.26724 -224.60945 1138.70556
1135.0000 -240.43219 -223.64137 16.79082 3.26642 -224.62715 1157.91618
1140.0000 -239.56398 -223.13201 16.43197 3.31120 -223.66241 1171.89544
1145.0000 -240.38828 -225.43769 14.95059 3.21662 -225.70011 1114.79651
1150.0000 -239.54975 -222.65123 16.89853 3.30228 -223.85449 1156.84223
1155.0000 -238.54599 -224.74528 13.80071 3.30434 -223.81022 1160.08925
1160.0000 -240.66663 -224.71843 15.94820 3.30787 -223.73414 1156.05878
1165.0000 -239.11137 -226.78237 12.32900 3.14849 -227.16783 1064.99144
1170.0000 -241.52567 -228.82930 12.69637 3.12687 -227.63371 1046.76796
1175.0000 -242.04257 -230.88806 11.15451 3.05517 -229.17830 1009.57503
1180.0000 -240.94887 -226.46830 14.48057 3.05649 -229.15001 988.72567
1185.0000 -237.44141 -224.58767 12.85374 3.14269 -227.29272 1062.12732
1190.0000 -242.25490 -228.15472 14.10018 3.16974 -226.71012 1080.33346
1195.0000 -239.90792 -226.15040 13.75751 3.15422 -227.04433 1098.72575
1200.0000 -240.15219 -225.05269 15.09950 3.19533 -226.15878 1101.78391
1205.0000 -239.70120 -227.44980 12.25140 3.16997 -226.70497 1081.67703
1210.0000 -240.95575 -227.49068 13.46506 3.09252 -228.37371 1051.43002
1215.0000 -240.57957 -227.64195 12.93761 3.17208 -226.65965 1065.46612
1220.0000 -242.49830 -228.80281 13.69550 3.12921 -227.58313 1063.50033
1225.0000 -243.34252 -229.52730 13.81523 3.07117 -228.83359 1036.97869
1230.0000 -242.73825 -228.69970 14.03855 3.03856 -229.53613 994.40409
1235.0000 -243.43301 -230.31603 13.11697 3.12021 -227.77704 1076.05855
1240.0000 -242.18020 -228.09599 14.08421 3.10795 -228.04132 1043.41337
1245.0000 -241.01318 -226.08725 14.92593 3.11638 -227.85963 1066.80952
1250.0000 -238.28051 -224.52034 13.76016 3.25534 -224.86588 1120.49257
FREEZING PROCESS: loop number 6 T-loop= 1046.0000000000000
main_MD> interactions number 6 at Temperature= 1046.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.99752 0.34840 2.32583
force_rgl> df(natom) -0.93539 -0.29472 -4.64449
1255.0000 -242.62403 -229.35001 13.27402 3.15546 -227.01762 1060.39420
1260.0000 -241.22542 -229.09868 12.12674 3.09519 -228.31622 1024.23126
1265.0000 -243.41768 -227.62213 15.79555 3.07754 -228.69639 1020.83313
1270.0000 -238.94855 -225.35450 13.59405 3.19927 -226.07376 1115.23954
1275.0000 -237.86077 -223.32570 14.53507 3.30133 -223.87507 1139.84460
1280.0000 -241.16870 -227.61102 13.55768 3.26003 -224.76481 1139.74253
1285.0000 -243.97560 -230.66571 13.30989 3.08828 -228.46511 1031.80864
1290.0000 -243.64898 -229.35137 14.29761 2.98927 -230.59823 987.14964
1295.0000 -240.51348 -226.84476 13.66872 3.07399 -228.77279 1016.00712
1300.0000 -240.77858 -226.36361 14.41497 3.14657 -227.20922 1037.02460
1305.0000 -241.50061 -228.00086 13.49976 3.16320 -226.85102 1084.99188
1310.0000 -241.28416 -227.44831 13.83585 3.10858 -228.02775 1064.18838
1315.0000 -242.70541 -227.51962 15.18579 3.13572 -227.44290 1076.62592
1320.0000 -240.67271 -227.74939 12.92332 3.08927 -228.44368 1014.39369
1325.0000 -241.99383 -227.69207 14.30176 3.09391 -228.34381 1061.99265
1330.0000 -242.46278 -227.69805 14.76473 3.08671 -228.49880 1051.12035
1335.0000 -244.17634 -230.48767 13.68867 3.00309 -230.30033 975.49775
1340.0000 -243.68519 -231.32947 12.35572 3.01779 -229.98370 993.03553
1345.0000 -244.80457 -232.31867 12.48590 2.92741 -231.93091 945.55440
1350.0000 -242.31627 -228.25313 14.06314 3.03701 -229.56951 1011.69162
1355.0000 -240.40867 -228.22852 12.18015 3.04931 -229.30453 994.64275
1360.0000 -243.25944 -229.36200 13.89745 3.13351 -227.49056 1059.66299
1365.0000 -241.16123 -228.16422 12.99701 3.00298 -230.30277 972.66903
1370.0000 -241.33885 -227.50089 13.83796 3.13200 -227.52307 1045.06133
1375.0000 -241.79441 -230.39998 11.39443 3.12348 -227.70663 1047.60056
1380.0000 -241.48357 -228.71397 12.76959 3.03835 -229.54074 1020.27964
1385.0000 -242.13995 -228.16100 13.97895 3.12277 -227.72190 1069.46916
1390.0000 -242.26710 -230.27876 11.98834 3.04339 -229.43219 1008.01693
1395.0000 -241.74454 -229.18550 12.55905 3.03623 -229.58643 991.36882
1400.0000 -240.95626 -229.91804 11.03822 3.02096 -229.91539 1002.00406
1405.0000 -242.41591 -228.74648 13.66943 3.06722 -228.91869 1033.31221
1410.0000 -240.25585 -227.25322 13.00263 3.14573 -227.22723 1054.27124
1415.0000 -241.09841 -227.25342 13.84499 3.16260 -226.86380 1075.58575
1420.0000 -239.43881 -226.71135 12.72746 3.18266 -226.43161 1076.76475
1425.0000 -240.42837 -226.03570 14.39267 3.18360 -226.41148 1101.95816
1430.0000 -241.80672 -226.53123 15.27549 3.17891 -226.51248 1081.82896
1435.0000 -237.66051 -224.33595 13.32457 3.20867 -225.87119 1112.90575
1440.0000 -238.98019 -223.53512 15.44507 3.24346 -225.12171 1112.12866
1445.0000 -240.15180 -227.08091 13.07089 3.22041 -225.61826 1098.56367
1450.0000 -240.68295 -228.74688 11.93608 3.07881 -228.66894 1044.24534
1455.0000 -242.11043 -230.84190 11.26853 3.03691 -229.57169 1001.75811
1460.0000 -242.75540 -230.49957 12.25583 2.96628 -231.09347 980.53924
1465.0000 -242.75371 -229.44338 13.31033 3.07882 -228.66878 990.39380
1470.0000 -241.42491 -229.58649 11.83842 3.06033 -229.06724 986.85974
1475.0000 -239.75814 -226.31223 13.44592 3.11824 -227.81964 1043.67124
1480.0000 -242.23879 -229.65981 12.57898 3.06519 -228.96250 1043.34913
1485.0000 -244.49804 -229.32070 15.17734 3.07723 -228.70302 1044.05724
1490.0000 -242.43435 -230.06397 12.37038 3.03690 -229.57203 1021.77091
1495.0000 -243.35175 -229.50047 13.85129 3.01643 -230.01291 996.39364
1500.0000 -243.82539 -229.14946 14.67593 3.09814 -228.25261 1065.62951
FREEZING PROCESS: loop number 7 T-loop= 1021.0000000000000
main_MD> interactions number 7 at Temperature= 1021.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.30409 5.02077 2.80208
force_rgl> df(natom) 0.42642 2.38517 -0.50374
1505.0000 -243.07425 -231.19592 11.87833 3.02733 -229.77807 995.27002
1510.0000 -242.35592 -228.73267 13.62325 3.00165 -230.33138 970.04898
1515.0000 -241.62843 -227.68814 13.94030 3.08253 -228.58882 1040.47977
1520.0000 -241.49353 -229.30382 12.18971 3.08864 -228.45724 1018.25548
1525.0000 -243.08325 -228.82030 14.26295 3.03437 -229.62638 993.04464
1530.0000 -241.27204 -228.31752 12.95452 3.13767 -227.40096 1049.24441
1535.0000 -240.98692 -226.55415 14.43277 3.07196 -228.81673 1037.78950
1540.0000 -242.09678 -229.03650 13.06028 3.16116 -226.89493 1073.48020
1545.0000 -242.33869 -229.93214 12.40655 3.10927 -228.01289 1027.17007
1550.0000 -242.22557 -228.88596 13.33962 2.99449 -230.48576 997.12290
1555.0000 -242.20247 -229.18213 13.02034 2.96544 -231.11146 958.12491
1560.0000 -241.17181 -227.83711 13.33470 3.08592 -228.51589 1058.59172
1565.0000 -241.59758 -229.69120 11.90637 3.04437 -229.41101 1012.73033
1570.0000 -243.13340 -229.00917 14.12423 3.04811 -229.33043 1007.29635
1575.0000 -241.56769 -228.44437 13.12332 3.05268 -229.23199 1006.36790
1580.0000 -242.37109 -227.79943 14.57166 3.07839 -228.67807 1026.90201
1585.0000 -242.59916 -231.27067 11.32849 3.00199 -230.32404 1000.57320
1590.0000 -240.88399 -228.15347 12.73052 3.06335 -229.00222 1019.74250
1595.0000 -240.33374 -226.30291 14.03083 3.12254 -227.72683 1045.28263
1600.0000 -238.79131 -225.29013 13.50118 3.16692 -226.77086 1062.31965
1605.0000 -240.00476 -226.41563 13.58914 3.20253 -226.00353 1122.27517
1610.0000 -240.07662 -227.63117 12.44545 3.17823 -226.52703 1082.86708
1615.0000 -239.95394 -226.43578 13.51816 3.21415 -225.75333 1092.85558
1620.0000 -240.98389 -226.88633 14.09756 3.22060 -225.61432 1119.97028
1625.0000 -241.51011 -227.87735 13.63276 3.14801 -227.17826 1092.88412
1630.0000 -241.47686 -228.52325 12.95361 3.09880 -228.23839 1045.96436
1635.0000 -241.95446 -227.81807 14.13639 3.14366 -227.27192 1053.56222
1640.0000 -243.56350 -229.54622 14.01728 3.07555 -228.73932 1054.66435
1645.0000 -242.27562 -228.19930 14.07632 3.03221 -229.67310 1011.54861
1650.0000 -241.01765 -227.59619 13.42146 3.11050 -227.98621 1058.94636
1655.0000 -243.59989 -230.17012 13.42977 3.05561 -229.16888 1015.00963
1660.0000 -243.63488 -231.12427 12.51062 3.05395 -229.20471 1001.37088
1665.0000 -243.72632 -231.03934 12.68698 3.00533 -230.25224 1002.57495
1670.0000 -242.58628 -230.00706 12.57922 3.00562 -230.24580 960.81969
1675.0000 -240.63642 -226.61273 14.02368 3.11150 -227.96486 1045.83280
1680.0000 -243.14129 -228.51014 14.63115 3.09241 -228.37595 1041.47477
1685.0000 -239.84632 -225.73162 14.11470 3.13436 -227.47216 1092.20661
1690.0000 -239.62749 -225.58232 14.04517 3.20158 -226.02410 1095.86379
1695.0000 -240.43558 -226.39684 14.03874 3.22437 -225.53311 1114.50408
1700.0000 -237.66321 -223.75142 13.91180 3.28920 -224.13644 1165.03639
1705.0000 -242.80810 -229.59887 13.20923 3.17850 -226.52119 1075.57484
1710.0000 -241.94403 -230.60565 11.33838 3.01137 -230.12207 991.78396
1715.0000 -242.74462 -228.15656 14.58806 3.03476 -229.61799 995.45246
1720.0000 -242.40616 -227.43427 14.97189 3.10159 -228.17828 1065.36922
1725.0000 -242.52472 -229.30694 13.21778 3.07762 -228.69464 1024.57980
1730.0000 -241.66067 -229.38710 12.27357 3.03693 -229.57142 1007.98164
1735.0000 -241.09009 -228.03992 13.05016 3.07472 -228.75726 1009.24533
1740.0000 -242.64203 -229.93719 12.70484 3.02163 -229.90089 1008.68415
1745.0000 -241.54248 -229.00062 12.54186 3.01171 -230.11459 990.64053
1750.0000 -241.69116 -227.50729 14.18387 3.05561 -229.16890 1009.47582
FREEZING PROCESS: loop number 8 T-loop= 996.00000000000000
main_MD> interactions number 8 at Temperature= 996.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19546 0.18326 -2.90429
force_rgl> df(natom) 3.39611 2.07743 1.71834
1755.0000 -241.97946 -229.51662 12.46284 3.07898 -228.66542 1043.41600
1760.0000 -240.96143 -227.39269 13.56874 3.07752 -228.69692 1013.54318
1765.0000 -240.74491 -226.82281 13.92209 3.16546 -226.80233 1071.58930
1770.0000 -241.57598 -228.64489 12.93108 3.13769 -227.40062 1063.37257
1775.0000 -244.04754 -231.00257 13.04496 2.99184 -230.54274 971.02953
1780.0000 -241.98503 -227.94026 14.04476 3.06386 -228.99112 1033.99416
1785.0000 -242.37961 -230.42235 11.95726 3.05981 -229.07835 1029.03029
1790.0000 -242.53466 -229.18622 13.34845 3.01305 -230.08584 986.03087
1795.0000 -242.96405 -230.27214 12.69191 3.03052 -229.70937 1009.18699
1800.0000 -240.62243 -228.73695 11.88548 3.03392 -229.63615 977.06383
1805.0000 -243.79082 -231.35260 12.43822 3.03332 -229.64906 1011.89633
1810.0000 -245.60546 -231.90191 13.70356 2.95393 -231.35949 961.69501
1815.0000 -245.24224 -234.11621 11.12603 2.85700 -233.44790 909.32574
1820.0000 -244.24194 -231.23899 13.00294 2.91036 -232.29814 909.34684
1825.0000 -243.18324 -231.15873 12.02450 2.95937 -231.24226 951.58583
1830.0000 -242.42845 -229.06471 13.36374 2.97807 -230.83950 951.83729
1835.0000 -240.61313 -227.95572 12.65741 3.05530 -229.17554 1010.32340
1840.0000 -239.65000 -227.85017 11.79982 3.07151 -228.82636 1008.37337
1845.0000 -242.68776 -230.32094 12.36682 3.10469 -228.11138 1045.32522
1850.0000 -243.21201 -229.61036 13.60165 3.04922 -229.30656 1023.90605
1855.0000 -243.39792 -230.22593 13.17199 3.00240 -230.31525 1008.90683
1860.0000 -244.61804 -232.53721 12.08083 2.95929 -231.24410 963.25309
1865.0000 -242.28539 -230.72802 11.55737 2.98203 -230.75419 948.23454
1870.0000 -242.71569 -229.97135 12.74434 3.00068 -230.35232 988.96277
1875.0000 -242.29328 -227.06038 15.23290 3.06477 -228.97142 1022.54804
1880.0000 -243.26536 -229.80437 13.46099 3.14891 -227.15884 1091.52432
1885.0000 -244.19759 -231.04471 13.15288 3.01826 -229.97351 1001.53564
1890.0000 -242.57154 -230.12414 12.44740 2.94128 -231.63207 963.33366
1895.0000 -244.65066 -233.05992 11.59073 2.96438 -231.13440 961.09409
1900.0000 -246.79621 -235.36907 11.42714 2.83625 -233.89476 891.54091
1905.0000 -243.22785 -230.77206 12.45578 2.85502 -233.49056 894.68329
1910.0000 -242.74115 -229.46405 13.27710 3.01900 -229.95760 982.63671
1915.0000 -244.04150 -231.29525 12.74626 3.08388 -228.55982 1022.27872
1920.0000 -242.23549 -230.21059 12.02489 2.96197 -231.18631 954.64050
1925.0000 -240.70216 -226.93100 13.77116 3.08028 -228.63730 1038.48071
1930.0000 -241.23575 -225.10251 16.13324 3.19720 -226.11833 1105.67700
1935.0000 -242.19656 -228.50000 13.69656 3.14638 -227.21336 1067.40134
1940.0000 -243.57572 -232.00204 11.57367 2.94684 -231.51221 964.52290
1945.0000 -242.39258 -230.72802 11.66456 2.95681 -231.29747 960.57316
1950.0000 -241.22563 -227.96652 13.25912 3.06085 -229.05603 1017.69453
1955.0000 -242.83660 -230.65148 12.18512 2.98958 -230.59150 955.23617
1960.0000 -241.56677 -229.72495 11.84182 2.98922 -230.59922 999.57079
1965.0000 -243.55949 -229.58259 13.97690 3.06212 -229.02870 1032.61173
1970.0000 -240.86607 -228.28138 12.58469 3.08693 -228.49403 1036.77835
1975.0000 -241.50189 -227.76574 13.73615 3.11798 -227.82506 1053.41192
1980.0000 -240.63876 -227.13870 13.50006 3.08094 -228.62321 1012.34982
1985.0000 -243.95220 -231.48921 12.46299 2.97731 -230.85585 948.22392
1990.0000 -240.22303 -227.39340 12.82962 3.03919 -229.52257 984.31748
1995.0000 -242.13783 -231.11559 11.02224 3.08895 -228.45066 1022.18091
2000.0000 -242.88608 -230.60542 12.28066 2.97607 -230.88246 974.55398
FREEZING PROCESS: loop number 9 T-loop= 971.00000000000000
main_MD> interactions number 9 at Temperature= 971.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.66868 -1.32410 0.68283
force_rgl> df(natom) 2.15325 4.06562 2.66736
2005.0000 -243.34843 -231.31211 12.03632 2.97694 -230.86383 959.30889
2010.0000 -243.23189 -231.10007 12.13182 2.93684 -231.72773 963.81933
2015.0000 -244.59757 -233.33023 11.26734 2.85960 -233.39184 918.01610
2020.0000 -245.52920 -232.83727 12.69193 2.91872 -232.11809 954.90359
2025.0000 -242.93898 -230.10318 12.83580 2.93477 -231.77236 943.65524
2030.0000 -242.76470 -229.75332 13.01138 3.02064 -229.92238 993.53688
2035.0000 -241.00088 -228.02556 12.97532 3.09183 -228.38852 1041.88476
2040.0000 -245.08084 -233.60949 11.47134 2.96366 -231.14982 962.05930
2045.0000 -242.85864 -230.04134 12.81730 2.93832 -231.69573 935.19474
2050.0000 -241.08860 -227.81878 13.26982 3.01423 -230.06040 988.05161
2055.0000 -242.96532 -230.74417 12.22115 3.06277 -229.01469 998.91869
2060.0000 -243.52420 -230.58006 12.94415 2.98660 -230.65558 973.73475
2065.0000 -240.74333 -227.65078 13.09255 3.06539 -228.95818 1015.21009
2070.0000 -241.34392 -228.54000 12.80392 3.11971 -227.78784 1052.71049
2075.0000 -240.65487 -227.66442 12.99045 3.11270 -227.93899 1049.81400
2080.0000 -242.82105 -229.69517 13.12588 3.07711 -228.70568 1009.71747
2085.0000 -242.39753 -229.64903 12.74851 2.99570 -230.45970 975.16991
2090.0000 -243.10119 -230.89922 12.20196 3.03775 -229.55356 980.89469
2095.0000 -242.46668 -230.64219 11.82449 3.00598 -230.23805 1003.55967
2100.0000 -242.05358 -228.90026 13.15332 3.01456 -230.05324 971.80731
2105.0000 -241.23957 -227.70121 13.53836 3.08404 -228.55628 1049.54294
2110.0000 -243.24299 -230.61689 12.62611 3.05650 -229.14971 1026.67750
2115.0000 -240.25091 -227.59983 12.65108 3.02045 -229.92634 1017.18098
2120.0000 -241.71497 -228.34168 13.37329 3.05410 -229.20144 1007.70738
2125.0000 -243.34548 -230.78920 12.55628 3.09147 -228.39636 1013.97627
2130.0000 -242.11293 -229.76138 12.35155 3.04420 -229.41469 981.85159
2135.0000 -242.62270 -231.10300 11.51971 3.02998 -229.72101 1005.40945
2140.0000 -241.10144 -230.40210 10.69934 3.01938 -229.94939 985.06263
2145.0000 -242.18121 -230.74885 11.43236 2.99933 -230.38148 977.55326
2150.0000 -239.63307 -227.78597 11.84710 3.00810 -230.19251 979.16099
2155.0000 -242.57166 -228.88526 13.68641 3.05497 -229.18262 1018.64884
2160.0000 -241.76868 -229.32647 12.44222 3.06228 -229.02515 1017.17527
2165.0000 -243.57219 -231.47661 12.09558 2.98436 -230.70401 949.95727
2170.0000 -243.68806 -231.88360 11.80446 2.91983 -232.09419 935.45245
2175.0000 -242.86463 -230.41348 12.45115 2.92018 -232.08664 934.98033
2180.0000 -243.05588 -232.49336 10.56252 2.99623 -230.44826 989.56755
2185.0000 -244.54750 -233.01134 11.53616 2.92462 -231.99089 942.90706
2190.0000 -243.63314 -230.05483 13.57832 2.95678 -231.29811 956.53859
2195.0000 -241.59966 -230.16530 11.43436 2.97614 -230.88109 968.16483
2200.0000 -243.01335 -229.27570 13.73765 3.07597 -228.73013 1039.10841
2205.0000 -242.85114 -232.53623 10.31490 3.01362 -230.07357 995.73805
2210.0000 -244.90097 -232.97078 11.93020 2.92393 -232.00589 939.66045
2215.0000 -243.12771 -229.20341 13.92430 2.98837 -230.61742 1004.64838
2220.0000 -244.66303 -234.59336 10.06967 2.97511 -230.90328 938.04770
2225.0000 -241.93470 -228.42930 13.50540 2.91520 -232.19387 915.36331
2230.0000 -242.49773 -230.70376 11.79397 2.98733 -230.63984 961.22823
2235.0000 -246.34737 -232.13941 14.20795 2.96953 -231.02346 967.62958
2240.0000 -242.88161 -229.16031 13.72130 2.98422 -230.70698 984.95633
2245.0000 -242.67242 -229.79426 12.87817 3.06205 -229.03007 1013.43542
2250.0000 -240.20648 -227.35695 12.84953 3.07004 -228.85793 1027.93608
FREEZING PROCESS: loop number 10 T-loop= 946.00000000000000
main_MD> interactions number 10 at Temperature= 946.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.63492 3.63912 1.09966
force_rgl> df(natom) -0.84142 1.02349 -0.56336
2255.0000 -241.34137 -228.83308 12.50830 3.12323 -227.71213 1029.68871
2260.0000 -243.36560 -228.42964 14.93596 3.05003 -229.28917 998.59306
2265.0000 -244.89115 -229.08393 15.80722 3.07755 -228.69618 1025.58570
2270.0000 -242.67132 -231.02892 11.64239 2.97450 -230.91635 975.33410
2275.0000 -244.78799 -232.49205 12.29594 2.88420 -232.86179 910.68197
2280.0000 -246.42648 -233.61272 12.81376 2.87664 -233.02470 897.63287
2285.0000 -244.17014 -232.61368 11.55645 2.88316 -232.88430 906.36002
2290.0000 -243.60115 -232.03035 11.57080 2.85364 -233.52010 866.11741
2295.0000 -243.79473 -231.41206 12.38267 2.94861 -231.47423 925.66100
2300.0000 -243.59686 -232.75779 10.83907 2.85906 -233.40347 916.77980
2305.0000 -246.26955 -233.69252 12.57704 2.85226 -233.54986 885.56507
2310.0000 -245.78344 -235.26435 10.51908 2.81591 -234.33304 874.11138
2315.0000 -243.00371 -232.70858 10.29513 2.85326 -233.52842 916.26107
2320.0000 -243.30482 -231.42342 11.88140 2.91937 -232.10403 924.97623
2325.0000 -244.85711 -231.52101 13.33609 3.01881 -229.96173 1016.59735
2330.0000 -242.25928 -231.72619 10.53309 2.93362 -231.79712 930.06933
2335.0000 -242.01577 -230.19481 11.82096 2.94225 -231.61123 929.60139
2340.0000 -242.67142 -231.59333 11.07809 3.00022 -230.36221 960.45289
2345.0000 -246.05309 -232.00480 14.04830 2.92805 -231.91707 925.45110
2350.0000 -245.21873 -232.13914 13.07959 2.89420 -232.64626 922.71454
2355.0000 -245.09639 -233.70765 11.38873 2.89841 -232.55571 918.75372
2360.0000 -244.49430 -231.62087 12.87343 2.90277 -232.46174 904.90441
2365.0000 -243.40923 -231.13831 12.27092 2.90843 -232.33982 936.15781
2370.0000 -244.04933 -232.66483 11.38450 2.94103 -231.63747 946.59389
2375.0000 -245.47114 -234.44240 11.02874 2.80766 -234.51077 864.96839
2380.0000 -244.04237 -232.00305 12.03933 2.90354 -232.44502 936.06044
2385.0000 -242.74983 -230.81273 11.93711 2.97996 -230.79868 946.08495
2390.0000 -244.88181 -233.42853 11.45328 2.95509 -231.33462 970.85483
2395.0000 -244.16671 -231.60352 12.56319 2.89399 -232.65086 929.38252
2400.0000 -245.34880 -233.64229 11.70651 2.89499 -232.62943 937.18714
2405.0000 -244.25613 -232.51500 11.74113 2.92888 -231.89909 943.30430
2410.0000 -244.89717 -233.41896 11.47821 2.87242 -233.11568 908.91806
2415.0000 -244.59805 -232.59027 12.00778 2.87777 -233.00042 906.86152
2420.0000 -245.59936 -233.01599 12.58337 2.94436 -231.56574 953.94382
2425.0000 -243.32963 -231.17521 12.15443 2.88241 -232.90033 907.03157
2430.0000 -244.43147 -232.69595 11.73551 2.95579 -231.31954 960.12896
2435.0000 -245.73734 -234.57020 11.16714 2.87335 -233.09549 908.21918
2440.0000 -244.42668 -233.42414 11.00254 2.80933 -234.47492 876.65997
2445.0000 -243.61646 -230.60132 13.01514 2.93698 -231.72471 952.91088
2450.0000 -241.95451 -230.77402 11.18049 2.99396 -230.49711 990.19606
2455.0000 -245.43154 -231.35794 14.07360 3.03813 -229.54554 1017.42809
2460.0000 -243.82088 -232.47685 11.34403 2.95183 -231.40474 956.56906
2465.0000 -242.11322 -230.21232 11.90089 2.97598 -230.88456 981.87139
2470.0000 -246.91260 -233.35309 13.55951 2.94784 -231.49076 944.05021
2475.0000 -245.03579 -235.02457 10.01122 2.82014 -234.24183 867.76846
2480.0000 -244.14664 -231.24391 12.90273 2.92694 -231.94097 925.28977
2485.0000 -244.36749 -230.71608 13.65141 2.95017 -231.44053 954.37432
2490.0000 -245.00719 -232.65447 12.35271 2.97730 -230.85605 977.36636
2495.0000 -244.35973 -231.93083 12.42889 2.87644 -233.02890 925.35158
2500.0000 -244.49819 -232.63456 11.86363 2.91823 -232.12869 917.25268
FREEZING PROCESS: loop number 11 T-loop= 921.00000000000000
main_MD> interactions number 11 at Temperature= 921.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.62462 -2.02491 2.17653
force_rgl> df(natom) 0.09255 -1.88972 0.19335
2505.0000 -243.94072 -231.13978 12.80094 2.88916 -232.75492 920.55543
2510.0000 -243.78356 -232.23634 11.54723 2.92729 -231.93340 922.84621
2515.0000 -244.80592 -232.53322 12.27270 2.86810 -233.20871 914.53736
2520.0000 -242.46177 -231.45723 11.00455 2.94104 -231.63730 952.15366
2525.0000 -243.53015 -232.32097 11.20918 2.90158 -232.48730 905.87748
2530.0000 -244.24802 -231.98705 12.26096 2.88148 -232.92033 896.51884
2535.0000 -243.75691 -232.12157 11.63534 2.95889 -231.25264 962.96828
2540.0000 -245.01728 -233.56028 11.45700 2.88047 -232.94209 908.17440
2545.0000 -244.37478 -230.75139 13.62339 2.91027 -232.30019 946.68373
2550.0000 -244.99235 -234.09898 10.89337 2.86964 -233.17540 874.42239
2555.0000 -242.60523 -231.70004 10.90519 2.89103 -232.71460 906.21128
2560.0000 -245.65087 -232.51495 13.13592 2.96917 -231.03111 952.12105
2565.0000 -245.62323 -233.57478 12.04844 2.85535 -233.48327 910.56424
2570.0000 -243.82864 -231.43152 12.39712 2.86669 -233.23914 904.15614
2575.0000 -243.36525 -230.29559 13.06966 3.01891 -229.95958 997.74001
2580.0000 -244.88146 -232.66472 12.21674 2.96555 -231.10915 982.24664
2585.0000 -244.80735 -233.71937 11.08798 2.87674 -233.02243 893.56797
2590.0000 -244.86735 -234.36167 10.50568 2.85075 -233.58251 884.78088
2595.0000 -245.79226 -233.14058 12.65169 2.85929 -233.39855 895.45826
2600.0000 -245.45924 -234.65056 10.80868 2.87395 -233.08254 886.87936
2605.0000 -244.34260 -234.24656 10.09604 2.81303 -234.39505 865.12442
2610.0000 -245.25510 -233.59210 11.66300 2.82955 -234.03913 857.45164
2615.0000 -245.30199 -233.91974 11.38225 2.88323 -232.88275 908.61371
2620.0000 -246.71407 -233.72801 12.98606 2.81180 -234.42151 857.61107
2625.0000 -243.94389 -232.93616 11.00773 2.82820 -234.06833 886.88374
2630.0000 -243.74700 -229.43499 14.31201 2.97513 -230.90272 952.75032
2635.0000 -242.47598 -230.01774 12.45824 3.04864 -229.31911 1034.24674
2640.0000 -244.26999 -231.31890 12.95109 2.95533 -231.32936 960.44576
2645.0000 -243.52621 -231.61337 11.91284 2.93484 -231.77081 945.28282
2650.0000 -243.76270 -231.62579 12.13691 2.94489 -231.55436 944.10196
2655.0000 -245.40414 -232.22718 13.17695 2.94494 -231.55315 961.97477
2660.0000 -246.94710 -236.14909 10.79802 2.82425 -234.15347 889.13539
2665.0000 -245.22386 -232.72444 12.49942 2.87101 -233.14602 908.31241
2670.0000 -245.51698 -234.29562 11.22136 2.83356 -233.95279 907.41716
2675.0000 -244.06486 -232.72594 11.33893 2.87008 -233.16610 891.91114
2680.0000 -246.42645 -234.14951 12.27693 2.89124 -232.71010 878.12600
2685.0000 -245.01847 -232.84739 12.17108 2.82021 -234.24044 870.07078
2690.0000 -245.72896 -234.38544 11.34352 2.83550 -233.91101 905.81815
2695.0000 -246.23329 -235.59060 10.64269 2.85104 -233.57613 871.45323
2700.0000 -245.15526 -234.04439 11.11087 2.81369 -234.38095 892.92328
2705.0000 -244.22997 -230.73418 13.49579 2.84397 -233.72856 887.89086
2710.0000 -242.88587 -231.36633 11.51954 3.00211 -230.32152 995.70679
2715.0000 -243.58693 -231.90405 11.68288 2.92621 -231.95679 929.46773
2720.0000 -243.43638 -231.55484 11.88155 2.92150 -232.05818 949.93749
2725.0000 -245.04969 -231.97023 13.07947 2.96216 -231.18224 964.72128
2730.0000 -244.90753 -232.46537 12.44216 2.90848 -232.33866 924.11474
2735.0000 -243.60186 -231.66685 11.93502 2.94002 -231.65922 979.41326
2740.0000 -243.84624 -231.79018 12.05607 2.94439 -231.56512 975.75800
2745.0000 -245.50640 -234.42059 11.08581 2.86180 -233.34435 895.04516
2750.0000 -242.50364 -230.92306 11.58058 2.90742 -232.36164 929.82345
FREEZING PROCESS: loop number 12 T-loop= 896.00000000000000
main_MD> interactions number 12 at Temperature= 896.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48309 3.27894 -2.25810
force_rgl> df(natom) 6.88964 2.45734 0.53998
2755.0000 -246.32136 -233.71064 12.61072 2.89631 -232.60098 895.71770
2760.0000 -245.78366 -234.56664 11.21702 2.82146 -234.21348 879.86059
2765.0000 -244.13310 -232.87364 11.25946 2.85588 -233.47200 887.67838
2770.0000 -242.01552 -229.96331 12.05222 2.97915 -230.81607 969.95674
2775.0000 -243.66776 -232.44623 11.22153 2.97867 -230.82643 971.59687
2780.0000 -244.11963 -232.56511 11.55452 2.92611 -231.95885 929.23379
2785.0000 -245.20192 -234.31683 10.88509 2.83706 -233.87746 874.58146
2790.0000 -244.89000 -233.69239 11.19761 2.82915 -234.04780 884.47461
2795.0000 -245.40186 -233.46610 11.93576 2.84711 -233.66081 887.63878
2800.0000 -244.09133 -232.60823 11.48310 2.91487 -232.20112 934.62706
2805.0000 -243.62332 -230.94236 12.68096 2.95677 -231.29835 975.71532
2810.0000 -244.65250 -231.63943 13.01307 2.95724 -231.28827 962.14344
2815.0000 -244.41392 -231.75335 12.66057 2.92269 -232.03245 963.13490
2820.0000 -245.03187 -232.84344 12.18843 2.90333 -232.44957 929.77402
2825.0000 -246.54220 -235.35669 11.18551 2.75537 -235.63736 849.07177
2830.0000 -244.95061 -232.27471 12.67590 2.84987 -233.60150 906.00354
2835.0000 -243.85126 -230.43308 13.41818 2.91457 -232.20742 913.91520
2840.0000 -244.72921 -232.20010 12.52911 2.97120 -230.98735 977.10922
2845.0000 -245.21919 -232.48717 12.73202 2.90283 -232.46044 917.14774
2850.0000 -245.49169 -233.17661 12.31508 2.86820 -233.20660 906.01375
2855.0000 -244.09809 -232.76027 11.33782 2.85889 -233.40709 885.94743
2860.0000 -246.12933 -232.39011 13.73922 2.91957 -232.09978 965.07412
2865.0000 -244.18515 -232.47043 11.71473 2.93334 -231.80320 958.39033
2870.0000 -242.74177 -230.33996 12.40180 2.95074 -231.42831 930.43602
2875.0000 -245.62169 -233.31493 12.30677 2.87894 -232.97514 928.76832
2880.0000 -245.30154 -233.38001 11.92153 2.85157 -233.56480 897.56540
2885.0000 -244.22740 -232.15984 12.06757 2.84455 -233.71609 896.64417
2890.0000 -245.24040 -232.44948 12.79092 2.88840 -232.77140 933.78918
2895.0000 -242.85210 -232.34367 10.50843 2.90150 -232.48911 924.59827
2900.0000 -244.61132 -233.69068 10.92064 2.86861 -233.19759 923.80664
2905.0000 -245.41947 -233.89700 11.52246 2.90772 -232.35515 931.06988
2910.0000 -245.97899 -235.20869 10.77030 2.83284 -233.96835 896.45913
2915.0000 -247.03270 -234.72625 12.30645 2.78196 -235.06458 842.86197
2920.0000 -244.88524 -234.33019 10.55505 2.79357 -234.81436 861.01728
2925.0000 -245.33568 -234.43192 10.90376 2.83786 -233.86018 875.05763
2930.0000 -245.45513 -235.33132 10.12382 2.81774 -234.29363 881.95883
2935.0000 -245.21335 -232.49203 12.72133 2.82489 -234.13963 851.95796
2940.0000 -244.93223 -232.38925 12.54298 2.89647 -232.59739 892.08838
2945.0000 -245.45454 -235.27630 10.17824 2.85410 -233.51025 899.15013
2950.0000 -245.01132 -234.69132 10.32000 2.79284 -234.83019 853.71548
2955.0000 -244.26616 -233.66550 10.60066 2.80983 -234.46410 871.96649
2960.0000 -245.96364 -233.82447 12.13917 2.82227 -234.19597 880.55934
2965.0000 -247.63188 -234.08692 13.54496 2.80272 -234.61718 874.80660
2970.0000 -246.23539 -234.19829 12.03709 2.82286 -234.18333 889.41126
2975.0000 -244.56034 -234.01587 10.54447 2.82709 -234.09211 866.34410
2980.0000 -243.73667 -232.89743 10.83925 2.81524 -234.34754 838.00428
2985.0000 -244.66402 -233.81119 10.85283 2.87148 -233.13585 884.26465
2990.0000 -244.22087 -231.67692 12.54394 2.89927 -232.53711 912.65364
2995.0000 -245.41557 -234.18051 11.23506 2.89270 -232.67876 909.19856
3000.0000 -243.95944 -233.66349 10.29595 2.85455 -233.50068 883.60626
FREEZING PROCESS: loop number 13 T-loop= 871.00000000000000
main_MD> interactions number 13 at Temperature= 871.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.99811 0.70444 -0.44104
force_rgl> df(natom) -2.21985 -1.95138 4.00669
3005.0000 -245.93598 -234.66609 11.26989 2.83708 -233.87694 882.37316
3010.0000 -244.41438 -233.84959 10.56479 2.82894 -234.05239 876.67394
3015.0000 -247.30760 -237.42848 9.87912 2.77906 -235.12691 862.71092
3020.0000 -247.60530 -236.12210 11.48320 2.71320 -236.54588 806.80210
3025.0000 -247.07975 -236.49495 10.58480 2.73327 -236.11353 820.22565
3030.0000 -246.89353 -235.72592 11.16761 2.77116 -235.29717 878.79193
3035.0000 -246.72371 -233.30764 13.41607 2.83747 -233.86860 907.18148
3040.0000 -243.60541 -232.19006 11.41535 2.89164 -232.70145 911.89180
3045.0000 -246.64412 -235.49293 11.15119 2.83495 -233.92288 903.78359
3050.0000 -248.83034 -237.76780 11.06254 2.65655 -237.76645 800.94855
3055.0000 -247.39931 -236.51389 10.88542 2.69807 -236.87195 805.94864
3060.0000 -247.38146 -236.01521 11.36624 2.74127 -235.94118 845.50682
3065.0000 -245.61090 -234.94199 10.66891 2.74226 -235.91973 846.12018
3070.0000 -244.90016 -233.28360 11.61656 2.82933 -234.04404 887.16385
3075.0000 -245.24092 -233.90313 11.33779 2.84414 -233.72479 897.69113
3080.0000 -245.84324 -232.88984 12.95340 2.87009 -233.16582 910.66590
3085.0000 -246.35110 -235.51886 10.83225 2.81797 -234.28877 883.74365
3090.0000 -245.71858 -235.19123 10.52735 2.75879 -235.56367 825.45228
3095.0000 -247.48410 -234.74168 12.74242 2.74472 -235.86687 795.91483
3100.0000 -246.37533 -235.14332 11.23201 2.82208 -234.20005 890.69580
3105.0000 -246.34616 -235.14227 11.20389 2.76621 -235.40375 859.06576
3110.0000 -246.21272 -234.45571 11.75701 2.82076 -234.22861 867.38347
3115.0000 -246.65661 -235.06696 11.58965 2.76757 -235.37455 861.04765
3120.0000 -248.04756 -237.26235 10.78521 2.74188 -235.92801 845.46530
3125.0000 -246.43490 -235.21643 11.21848 2.69995 -236.83138 810.95578
3130.0000 -245.86879 -234.72747 11.14131 2.79876 -234.70264 869.82435
3135.0000 -244.96642 -233.51443 11.45199 2.82214 -234.19881 878.40053
3140.0000 -246.04255 -236.31403 9.72852 2.83278 -233.96962 909.08444
3145.0000 -247.26848 -234.16526 13.10323 2.76338 -235.46489 847.97565
3150.0000 -245.61391 -234.36663 11.24728 2.81014 -234.45731 885.24518
3155.0000 -244.84264 -234.77659 10.06605 2.82034 -234.23765 871.84595
3160.0000 -246.81448 -234.63120 12.18328 2.77892 -235.12994 833.94990
3165.0000 -246.28936 -234.38324 11.90612 2.82689 -234.09650 899.62026
3170.0000 -244.87546 -235.31079 9.56467 2.78127 -235.07928 854.79194
3175.0000 -245.33965 -234.97693 10.36272 2.73325 -236.11388 841.67632
3180.0000 -246.43234 -234.76264 11.66970 2.75327 -235.68267 858.04538
3185.0000 -245.01244 -233.75556 11.25689 2.82639 -234.10730 870.17133
3190.0000 -245.36067 -230.50698 14.85369 2.91076 -232.28968 937.17008
3195.0000 -243.50631 -231.16185 12.34445 2.93251 -231.82093 944.05357
3200.0000 -246.19933 -233.57520 12.62413 2.92729 -231.93346 947.24872
3205.0000 -247.05058 -235.48244 11.56814 2.83725 -233.87335 904.45809
3210.0000 -246.11037 -234.42035 11.69002 2.77812 -235.14730 861.06044
3215.0000 -246.79430 -236.35707 10.43723 2.74837 -235.78826 855.66869
3220.0000 -247.79285 -236.66909 11.12376 2.74188 -235.92807 823.06237
3225.0000 -246.19386 -234.92775 11.26611 2.76740 -235.37810 856.62703
3230.0000 -246.07222 -233.77796 12.29426 2.82906 -234.04984 888.40531
3235.0000 -243.95711 -231.15670 12.80041 2.93463 -231.77526 934.55059
3240.0000 -246.48396 -235.88361 10.60035 2.85575 -233.47473 898.58808
3245.0000 -246.42181 -234.38029 12.04152 2.82179 -234.20632 879.38566
3250.0000 -248.11405 -236.47328 11.64077 2.75875 -235.56463 855.58394
FREEZING PROCESS: loop number 14 T-loop= 846.00000000000000
main_MD> interactions number 14 at Temperature= 846.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06112 -0.00583 0.61376
force_rgl> df(natom) -1.12745 2.12507 0.79285
3255.0000 -246.10970 -236.20777 9.90193 2.71892 -236.42255 809.10970
3260.0000 -247.20065 -236.58645 10.61420 2.72865 -236.21311 822.78455
3265.0000 -247.52540 -234.81074 12.71466 2.76136 -235.50829 852.78971
3270.0000 -246.08387 -235.55630 10.52758 2.75389 -235.66914 854.96710
3275.0000 -248.36071 -238.03539 10.32532 2.69490 -236.94010 801.00418
3280.0000 -248.52929 -237.36470 11.16459 2.62573 -238.43043 758.70563
3285.0000 -247.54908 -236.77503 10.77405 2.71357 -236.53786 819.04795
3290.0000 -245.94102 -234.72111 11.21991 2.79502 -234.78305 861.02450
3295.0000 -246.51582 -235.45346 11.06236 2.80542 -234.55902 876.18147
3300.0000 -247.44647 -237.51500 9.93148 2.71623 -236.48057 815.35548
3305.0000 -246.08140 -236.77753 9.30387 2.67219 -237.42933 783.51017
3310.0000 -248.71156 -236.98486 11.72670 2.67338 -237.40378 794.52345
3315.0000 -247.90269 -235.42187 12.48082 2.68362 -237.18307 799.07168
3320.0000 -246.22321 -235.50774 10.71547 2.76783 -235.36898 873.18942
3325.0000 -246.04487 -236.33223 9.71264 2.78543 -234.98976 852.66241
3330.0000 -247.72192 -236.94706 10.77486 2.69032 -237.03877 783.60976
3335.0000 -249.12207 -237.99645 11.12562 2.70263 -236.77361 795.16135
3340.0000 -247.62427 -237.03391 10.59036 2.66792 -237.52142 805.29959
3345.0000 -247.96146 -237.32900 10.63246 2.72422 -236.30836 826.88523
3350.0000 -246.08400 -234.83953 11.24447 2.73158 -236.14996 828.00617
3355.0000 -243.61353 -232.30185 11.31168 2.80872 -234.48800 869.11938
3360.0000 -244.52986 -233.13208 11.39778 2.86487 -233.27829 885.23270
3365.0000 -245.57381 -234.19051 11.38329 2.86650 -233.24314 908.33285
3370.0000 -246.78607 -234.91252 11.87355 2.78250 -235.05278 852.34007
3375.0000 -245.22521 -234.32748 10.89772 2.77976 -235.11194 863.29880
3380.0000 -245.36826 -234.12467 11.24359 2.82275 -234.18573 868.21695
3385.0000 -243.52879 -232.92003 10.60876 2.83893 -233.83719 876.31331
3390.0000 -245.47374 -234.68061 10.79313 2.82193 -234.20329 877.76545
3395.0000 -244.29624 -233.04054 11.25570 2.82548 -234.12686 858.95797
3400.0000 -245.22789 -233.46928 11.75860 2.85057 -233.58631 887.97341
3405.0000 -245.12612 -233.83043 11.29569 2.85166 -233.56294 896.53699
3410.0000 -243.16018 -234.08599 9.07419 2.83029 -234.02333 885.65114
3415.0000 -245.93344 -233.16094 12.77250 2.86781 -233.21485 919.93064
3420.0000 -244.87266 -234.17151 10.70114 2.88309 -232.88577 903.26116
3425.0000 -247.36114 -235.66508 11.69605 2.75601 -235.62367 849.92663
3430.0000 -248.63675 -237.92421 10.71254 2.72433 -236.30615 838.49358
3435.0000 -247.12282 -236.96428 10.15855 2.70519 -236.71846 810.24933
3440.0000 -245.97338 -234.95874 11.01464 2.74930 -235.76817 835.87280
3445.0000 -244.76515 -234.49589 10.26926 2.81736 -234.30174 882.10924
3450.0000 -243.57043 -233.42651 10.14392 2.80840 -234.49484 881.73434
3455.0000 -245.33276 -234.53436 10.79839 2.86473 -233.28129 886.33536
3460.0000 -246.87217 -237.14181 9.73035 2.70407 -236.74260 808.91885
3465.0000 -245.78373 -235.26890 10.51483 2.72076 -236.38310 804.44868
3470.0000 -246.88109 -234.50836 12.37272 2.73986 -235.97145 832.20335
3475.0000 -246.75168 -237.31531 9.43637 2.72787 -236.22991 807.31556
3480.0000 -246.65326 -235.16032 11.49294 2.69303 -236.98033 798.38628
3485.0000 -246.61292 -234.59374 12.01917 2.79000 -234.89119 861.55451
3490.0000 -245.45234 -232.77284 12.67949 2.86465 -233.28306 897.79792
3495.0000 -244.74645 -233.42320 11.32325 2.88296 -232.88854 915.52657
3500.0000 -245.43495 -233.20986 12.22509 2.85878 -233.40945 914.02242
FREEZING PROCESS: loop number 15 T-loop= 821.00000000000000
main_MD> interactions number 15 at Temperature= 821.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.63093 1.26645 0.47902
force_rgl> df(natom) -1.45513 4.06115 -4.24933
3505.0000 -243.87409 -233.93405 9.94003 2.83146 -233.99805 877.21928
3510.0000 -245.26198 -234.88689 10.37509 2.79586 -234.76510 842.36751
3515.0000 -247.68883 -237.41290 10.27593 2.71448 -236.51833 802.71693
3520.0000 -246.62478 -236.93494 9.68984 2.65415 -237.81799 765.78626
3525.0000 -244.81701 -234.15076 10.66625 2.75958 -235.54664 843.51457
3530.0000 -246.00592 -236.27227 9.73366 2.79261 -234.83512 838.15587
3535.0000 -248.18026 -237.41967 10.76059 2.73812 -236.00910 838.55915
3540.0000 -247.81009 -236.56635 11.24374 2.70336 -236.75795 784.92683
3545.0000 -246.51441 -236.99820 9.51621 2.71430 -236.52224 838.92442
3550.0000 -247.49400 -235.51614 11.97785 2.71209 -236.56988 789.93648
3555.0000 -247.11521 -236.42413 10.69107 2.76459 -235.43877 843.30808
3560.0000 -247.59084 -236.89690 10.69394 2.68804 -237.08786 802.90787
3565.0000 -247.84923 -238.47813 9.37110 2.70193 -236.78874 819.21232
3570.0000 -248.26568 -238.22040 10.04528 2.64158 -238.08886 785.27510
3575.0000 -247.31580 -237.22246 10.09334 2.66396 -237.60679 772.51585
3580.0000 -247.09763 -237.79297 9.30466 2.66896 -237.49899 777.67949
3585.0000 -246.50918 -236.21053 10.29865 2.70853 -236.64642 811.67918
3590.0000 -245.88610 -235.49962 10.38648 2.78584 -234.98088 849.26017
3595.0000 -246.18975 -236.07778 10.11197 2.74533 -235.85364 830.36548
3600.0000 -247.18828 -237.04306 10.14522 2.71303 -236.54954 816.37307
3605.0000 -245.48325 -234.97893 10.50431 2.72536 -236.28387 823.73494
3610.0000 -247.16372 -237.33000 9.83372 2.67306 -237.41057 781.26755
3615.0000 -247.81892 -236.28357 11.53535 2.69202 -237.00225 820.64838
3620.0000 -246.76269 -235.42957 11.33312 2.74662 -235.82577 824.72871
3625.0000 -246.54243 -235.63301 10.90942 2.76612 -235.40569 852.78923
3630.0000 -248.63401 -238.16529 10.46871 2.69127 -237.01832 799.77905
3635.0000 -247.56102 -236.05922 11.50179 2.68381 -237.17906 804.01451
3640.0000 -246.81922 -235.88734 10.93188 2.73576 -236.05981 818.37069
3645.0000 -248.70341 -237.93035 10.77306 2.69216 -236.99914 816.46095
3650.0000 -248.67362 -237.34140 11.33223 2.63139 -238.30835 788.56999
3655.0000 -247.58654 -236.73645 10.85009 2.66986 -237.47951 797.38806
3660.0000 -247.36886 -237.85623 9.51263 2.71074 -236.59886 821.98634
3665.0000 -247.35580 -236.45731 10.89849 2.67910 -237.28064 792.38788
3670.0000 -246.06753 -235.23080 10.83673 2.74330 -235.89739 835.52545
3675.0000 -248.80060 -236.41636 12.38425 2.76648 -235.39808 853.90224
3680.0000 -248.02399 -236.75534 11.26864 2.66101 -237.67033 790.81140
3685.0000 -247.53728 -238.40150 9.13579 2.65126 -237.88037 761.48161
3690.0000 -247.16662 -235.80755 11.35908 2.69658 -236.90397 786.57448
3695.0000 -246.16593 -236.32866 9.83727 2.73846 -236.00170 828.97375
3700.0000 -247.39463 -235.85654 11.53809 2.73966 -235.97584 801.40518
3705.0000 -246.73990 -235.25177 11.48813 2.80559 -234.55533 874.82099
3710.0000 -245.25871 -233.62247 11.63625 2.76791 -235.36715 820.13632
3715.0000 -245.49639 -235.00276 10.49363 2.79010 -234.88905 862.26004
3720.0000 -248.46602 -237.09373 11.37229 2.77184 -235.28244 858.19345
3725.0000 -247.84464 -237.30881 10.53583 2.71029 -236.60852 824.96112
3730.0000 -249.94810 -240.53223 9.41587 2.63527 -238.22492 763.85844
3735.0000 -248.60219 -238.71768 9.88450 2.57958 -239.42470 740.42177
3740.0000 -248.68589 -238.43897 10.24692 2.60488 -238.87946 752.88640
3745.0000 -247.72870 -238.01076 9.71794 2.62600 -238.42445 770.39607
3750.0000 -248.40882 -238.08368 10.32515 2.64266 -238.06568 756.66299
FREEZING PROCESS: loop number 16 T-loop= 796.00000000000000
main_MD> interactions number 16 at Temperature= 796.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72885 1.42551 2.47597
force_rgl> df(natom) 2.65527 0.14275 3.73319
3755.0000 -247.48709 -237.26985 10.21725 2.65854 -237.72360 768.35937
3760.0000 -246.93674 -235.67884 11.25790 2.72902 -236.20505 825.81257
3765.0000 -246.19828 -235.59480 10.60348 2.76557 -235.41769 841.09763
3770.0000 -247.54868 -236.89909 10.64959 2.72603 -236.26939 817.97759
3775.0000 -247.66626 -237.42576 10.24051 2.67380 -237.39465 805.71062
3780.0000 -247.38625 -239.12820 8.25805 2.60539 -238.86850 771.15712
3785.0000 -248.40552 -237.94202 10.46350 2.62527 -238.44029 755.11550
3790.0000 -248.32291 -237.79940 10.52351 2.64772 -237.95664 785.05728
3795.0000 -246.67073 -234.79957 11.87117 2.71762 -236.45063 828.85143
3800.0000 -245.76105 -235.31059 10.45046 2.76914 -235.34066 853.15299
3805.0000 -247.14123 -235.85091 11.29032 2.71374 -236.53434 817.42186
3810.0000 -246.18183 -235.95663 10.22520 2.74090 -235.94904 837.56845
3815.0000 -247.21908 -237.65352 9.56556 2.79580 -234.76640 862.78228
3820.0000 -246.58721 -236.17221 10.41500 2.73237 -236.13289 837.37237
3825.0000 -247.70984 -237.47789 10.23195 2.67702 -237.32530 777.66953
3830.0000 -250.33291 -241.07852 9.25439 2.56855 -239.66237 736.66720
3835.0000 -249.36184 -239.24752 10.11433 2.53682 -240.34595 731.92315
3840.0000 -247.64553 -238.34906 9.29647 2.66267 -237.63456 766.96950
3845.0000 -247.72629 -236.31732 11.40897 2.69462 -236.94610 802.53109
3850.0000 -248.29230 -237.06608 11.22622 2.69082 -237.02810 810.97693
3855.0000 -247.21382 -236.93350 10.28032 2.69524 -236.93286 804.53536
3860.0000 -245.44794 -236.55178 8.89616 2.68006 -237.25987 779.57746
3865.0000 -246.76875 -235.56205 11.20671 2.72956 -236.19341 823.16487
3870.0000 -247.69836 -236.85310 10.84527 2.67227 -237.42768 785.77269
3875.0000 -248.74036 -237.68819 11.05217 2.66686 -237.54420 790.74870
3880.0000 -246.69603 -236.97233 9.72370 2.65884 -237.71701 791.05687
3885.0000 -247.68890 -237.57227 10.11662 2.63121 -238.31220 769.66309
3890.0000 -248.30964 -236.74917 11.56047 2.64434 -238.02953 786.15082
3895.0000 -248.05269 -238.01059 10.04211 2.67468 -237.37586 807.37064
3900.0000 -247.30878 -236.88925 10.41953 2.62146 -238.52238 735.72596
3905.0000 -247.38941 -236.79577 10.59364 2.70719 -236.67545 807.03281
3910.0000 -247.80611 -237.67119 10.13492 2.66453 -237.59449 783.69524
3915.0000 -246.58543 -235.66478 10.92065 2.68404 -237.17401 798.68615
3920.0000 -247.89540 -237.77508 10.12032 2.69530 -236.93152 788.39023
3925.0000 -246.51026 -237.75469 8.75558 2.63785 -238.16921 760.66951
3930.0000 -246.51220 -236.84965 9.66255 2.67453 -237.37894 793.37291
3935.0000 -247.87278 -236.49568 11.37710 2.69993 -236.83171 801.35447
3940.0000 -247.53281 -237.47926 10.05355 2.68018 -237.25731 801.03766
3945.0000 -246.43298 -236.48558 9.94739 2.66816 -237.51613 791.64987
3950.0000 -246.61247 -236.90727 9.70520 2.68491 -237.15532 809.67551
3955.0000 -246.38828 -235.95152 10.43676 2.71311 -236.54781 803.68891
3960.0000 -247.69466 -236.29892 11.39574 2.69478 -236.94272 809.16826
3965.0000 -248.59779 -237.71413 10.88366 2.69343 -236.97177 832.37496
3970.0000 -247.65094 -239.28221 8.36873 2.62495 -238.44724 771.44459
3975.0000 -247.75540 -237.59197 10.16343 2.60775 -238.81780 758.20870
3980.0000 -248.36597 -237.60462 10.76135 2.68458 -237.16239 785.52048
3985.0000 -247.87811 -238.96924 8.90887 2.66420 -237.60155 789.10588
3990.0000 -247.00315 -237.49498 9.50817 2.64379 -238.04130 797.80402
3995.0000 -247.29400 -235.88797 11.40603 2.71725 -236.45864 836.51482
4000.0000 -247.76601 -235.80509 11.96092 2.74833 -235.78907 858.15499
FREEZING PROCESS: loop number 17 T-loop= 771.00000000000000
main_MD> interactions number 17 at Temperature= 771.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15770 0.07623 -0.27562
force_rgl> df(natom) 0.35978 -1.47759 5.50312
4005.0000 -247.06659 -236.90013 10.16646 2.73978 -235.97323 827.76402
4010.0000 -248.51283 -238.88416 9.62867 2.68654 -237.12032 775.53741
4015.0000 -247.64441 -237.05901 10.58540 2.65318 -237.83903 765.21644
4020.0000 -248.63491 -238.88047 9.75444 2.65847 -237.72507 775.28528
4025.0000 -247.13689 -238.17956 8.95733 2.58850 -239.23241 737.28627
4030.0000 -247.69072 -237.02223 10.66849 2.67281 -237.41604 761.50722
4035.0000 -247.63168 -238.46266 9.16902 2.65364 -237.82910 763.25621
4040.0000 -248.25037 -238.74659 9.50378 2.61535 -238.65396 742.41287
4045.0000 -247.05380 -236.99423 10.05957 2.67778 -237.30907 803.19596
4050.0000 -246.32634 -236.78409 9.54225 2.71314 -236.54708 798.30487
4055.0000 -246.37736 -236.41133 9.96603 2.69202 -237.00226 778.56606
4060.0000 -246.92320 -236.87172 10.05148 2.71903 -236.42021 804.28301
4065.0000 -246.32239 -236.46880 9.85359 2.68539 -237.14512 795.40781
4070.0000 -246.70619 -236.38293 10.32326 2.76191 -235.49654 838.27589
4075.0000 -246.25800 -235.96841 10.28959 2.72541 -236.28272 813.32580
4080.0000 -247.94782 -237.57018 10.37764 2.70121 -236.80421 824.68570
4085.0000 -248.47673 -237.37609 11.10063 2.68190 -237.22019 800.16500
4090.0000 -246.27186 -235.98978 10.28208 2.73261 -236.12777 850.05187
4095.0000 -247.50569 -237.74467 9.76102 2.64640 -237.98512 749.17643
4100.0000 -248.96254 -239.16396 9.79858 2.61505 -238.66043 761.79534
4105.0000 -248.68183 -238.98149 9.70034 2.61413 -238.68017 758.64233
4110.0000 -248.78375 -238.36423 10.41952 2.63360 -238.26072 765.68095
4115.0000 -249.57002 -239.21936 10.35066 2.65103 -237.88529 803.25502
4120.0000 -247.05327 -236.91078 10.14249 2.61182 -238.73015 787.80000
4125.0000 -248.37499 -237.98979 10.38520 2.66495 -237.58548 789.99575
4130.0000 -247.43023 -238.05899 9.37124 2.61714 -238.61548 752.38208
4135.0000 -249.33784 -239.41333 9.92451 2.60956 -238.77883 759.17177
4140.0000 -249.62984 -239.42400 10.20585 2.57665 -239.48769 743.85396
4145.0000 -247.44016 -237.98685 9.45330 2.60122 -238.95843 746.65301
4150.0000 -248.10643 -237.40161 10.70482 2.61062 -238.75579 753.62429
4155.0000 -247.43860 -237.37859 10.06001 2.64527 -238.00928 762.67798
4160.0000 -247.00354 -237.16872 9.83482 2.64983 -237.91124 776.59399
4165.0000 -248.08382 -237.43373 10.65010 2.69289 -236.98350 778.18608
4170.0000 -248.45763 -237.82938 10.62825 2.68994 -237.04701 790.93990
4175.0000 -246.93488 -236.78055 10.15433 2.62109 -238.53043 754.63355
4180.0000 -247.95394 -239.35503 8.59890 2.65470 -237.80617 783.55360
4185.0000 -247.95106 -238.84756 9.10350 2.60262 -238.92834 762.20610
4190.0000 -247.14414 -238.12389 9.02026 2.62806 -238.38016 746.17965
4195.0000 -246.59904 -236.94562 9.65342 2.69033 -237.03870 779.51975
4200.0000 -248.08636 -238.34608 9.74028 2.68359 -237.18386 793.53013
4205.0000 -247.98762 -238.27083 9.71680 2.61557 -238.64925 759.39144
4210.0000 -249.17054 -238.93128 10.23927 2.63087 -238.31973 778.42848
4215.0000 -247.77307 -237.33123 10.44185 2.62413 -238.46478 761.58862
4220.0000 -247.91229 -238.35603 9.55627 2.69654 -236.90479 777.35495
4225.0000 -248.48915 -238.76606 9.72308 2.59179 -239.16157 739.22807
4230.0000 -246.82040 -237.54245 9.27795 2.62208 -238.50895 764.26734
4235.0000 -248.00295 -237.49431 10.50864 2.64978 -237.91218 782.49719
4240.0000 -247.07621 -236.47960 10.59661 2.67371 -237.39660 807.39902
4245.0000 -245.98880 -236.43247 9.55633 2.73429 -236.09159 813.45867
4250.0000 -248.00639 -236.75783 11.24856 2.69759 -236.88220 791.58807
FREEZING PROCESS: loop number 18 T-loop= 746.00000000000000
main_MD> interactions number 18 at Temperature= 746.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85292 3.81594 2.39386
force_rgl> df(natom) 0.27543 -0.25325 3.39122
4255.0000 -248.54620 -238.56208 9.98412 2.67141 -237.44619 767.80436
4260.0000 -248.84076 -239.81738 9.02337 2.61406 -238.68188 749.51727
4265.0000 -247.63712 -237.19596 10.44116 2.63278 -238.27844 778.22710
4270.0000 -247.27650 -238.10936 9.16715 2.70394 -236.74548 805.57346
4275.0000 -249.87500 -240.82002 9.05498 2.56812 -239.67152 722.98523
4280.0000 -247.98086 -238.25544 9.72542 2.59947 -238.99617 742.61413
4285.0000 -248.24015 -237.73518 10.50497 2.60439 -238.89009 744.91971
4290.0000 -248.16442 -239.01443 9.15000 2.61132 -238.74080 747.59719
4295.0000 -248.14957 -238.15674 9.99283 2.62456 -238.45552 760.70675
4300.0000 -250.06112 -240.22753 9.83360 2.58879 -239.22611 755.95047
4305.0000 -247.21699 -237.74674 9.47024 2.60092 -238.96487 759.32961
4310.0000 -246.30178 -236.60973 9.69205 2.67779 -237.30884 799.14262
4315.0000 -248.43429 -237.89627 10.53802 2.65555 -237.78786 778.59742
4320.0000 -250.46553 -239.95408 10.51144 2.60791 -238.81437 746.53527
4325.0000 -248.62588 -239.73615 8.88973 2.54426 -240.18553 710.67483
4330.0000 -249.20982 -238.87833 10.33149 2.59516 -239.08905 756.97594
4335.0000 -248.45902 -239.13304 9.32597 2.59068 -239.18553 746.84600
4340.0000 -250.23174 -241.17368 9.05806 2.57656 -239.48966 740.35254
4345.0000 -250.30149 -240.64870 9.65279 2.50611 -241.00756 709.08604
4350.0000 -250.62489 -241.51820 9.10669 2.47014 -241.78249 684.82882
4355.0000 -250.46875 -240.73232 9.73643 2.53569 -240.37016 721.27070
4360.0000 -247.73305 -238.37986 9.35318 2.59024 -239.19496 733.07775
4365.0000 -247.76274 -237.93508 9.82765 2.65399 -237.82156 767.69748
4370.0000 -247.76198 -236.50489 11.25709 2.67551 -237.35780 787.74758
4375.0000 -249.95323 -240.31373 9.63951 2.57200 -239.58801 749.79242
4380.0000 -247.67471 -239.18674 8.48797 2.54799 -240.10529 718.31011
4385.0000 -246.33655 -236.52257 9.81398 2.64566 -238.00100 752.86710
4390.0000 -250.08377 -240.75151 9.33226 2.62622 -238.41976 756.25400
4395.0000 -247.55079 -238.03002 9.52078 2.61852 -238.58579 772.16920
4400.0000 -248.24008 -238.91267 9.32741 2.63736 -238.17974 779.03220
4405.0000 -250.81567 -241.58211 9.23356 2.56252 -239.79216 741.76745
4410.0000 -247.89664 -238.79010 9.10653 2.48431 -241.47725 671.96339
4415.0000 -247.94435 -237.70116 10.24319 2.61071 -238.75395 754.54533
4420.0000 -248.43324 -238.04096 10.39228 2.62079 -238.53678 743.76867
4425.0000 -247.27575 -239.04768 8.22806 2.61337 -238.69675 744.74356
4430.0000 -248.13693 -238.44183 9.69510 2.60773 -238.81820 737.68082
4435.0000 -248.03316 -238.51693 9.51623 2.65567 -237.78540 780.58234
4440.0000 -247.24808 -237.44794 9.80014 2.65470 -237.80617 783.49216
4445.0000 -248.74087 -239.42843 9.31244 2.62965 -238.34599 762.48503
4450.0000 -248.90467 -237.48752 11.41716 2.63310 -238.27168 785.80213
4455.0000 -247.65594 -237.72998 9.92595 2.62532 -238.43918 780.61812
4460.0000 -247.11690 -237.70406 9.41284 2.68146 -237.22978 785.61113
4465.0000 -247.28986 -237.56428 9.72558 2.72548 -236.28127 814.50877
4470.0000 -247.06783 -238.23337 8.83447 2.60741 -238.82508 750.07201
4475.0000 -247.49903 -237.88680 9.61223 2.66665 -237.54887 770.11889
4480.0000 -248.85231 -238.54755 10.30476 2.63175 -238.30075 729.96447
4485.0000 -247.33312 -236.97696 10.35616 2.65954 -237.70202 761.70257
4490.0000 -246.96582 -237.35872 9.60711 2.67222 -237.42884 799.02128
4495.0000 -249.71546 -239.84605 9.86942 2.67450 -237.37961 802.19574
4500.0000 -247.13577 -237.97121 9.16455 2.57940 -239.42859 744.56843
FREEZING PROCESS: loop number 19 T-loop= 721.00000000000000
main_MD> interactions number 19 at Temperature= 721.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20572 -0.55771 0.59307
force_rgl> df(natom) 2.12023 2.06296 1.94622
4505.0000 -248.48291 -238.67458 9.80833 2.64048 -238.11267 766.48056
4510.0000 -248.95075 -240.01363 8.93711 2.58623 -239.28127 729.30536
4515.0000 -247.40453 -237.22944 10.17508 2.61544 -238.65214 744.17406
4520.0000 -248.33193 -239.10653 9.22540 2.63531 -238.22399 750.50388
4525.0000 -250.26557 -241.79905 8.46651 2.49320 -241.28562 681.52710
4530.0000 -249.10742 -239.79027 9.31715 2.52620 -240.57475 690.00563
4535.0000 -249.59876 -239.63426 9.96451 2.55782 -239.89334 697.91023
4540.0000 -249.69045 -239.91000 9.78045 2.55487 -239.95696 708.81387
4545.0000 -249.97182 -240.10795 9.86386 2.58187 -239.37519 742.93396
4550.0000 -249.77316 -239.99182 9.78134 2.53625 -240.35815 734.90079
4555.0000 -247.87169 -239.01473 8.85696 2.57105 -239.60834 744.46401
4560.0000 -247.70887 -237.42022 10.28865 2.61055 -238.75737 759.18334
4565.0000 -247.76810 -237.78318 9.98492 2.66290 -237.62960 796.22002
4570.0000 -247.56802 -239.03330 8.53472 2.65906 -237.71237 758.87615
4575.0000 -248.64668 -239.92554 8.72114 2.57614 -239.49884 739.05534
4580.0000 -249.76670 -241.33447 8.43223 2.53093 -240.47286 715.36770
4585.0000 -249.85346 -240.94839 8.90507 2.52815 -240.53269 681.05416
4590.0000 -249.96669 -241.05300 8.91369 2.50110 -241.11544 688.55153
4595.0000 -253.13105 -244.28494 8.84612 2.42002 -242.86229 676.58037
4600.0000 -251.19446 -242.95249 8.24197 2.38528 -243.61079 633.16742
4605.0000 -251.28888 -242.38107 8.90781 2.43190 -242.60640 658.70785
4610.0000 -250.95457 -241.62748 9.32709 2.47489 -241.68020 682.82529
4615.0000 -250.10077 -241.03531 9.06546 2.46626 -241.86595 683.38697
4620.0000 -249.61531 -242.55955 7.05577 2.45964 -242.00870 661.66979
4625.0000 -249.05805 -239.91867 9.13939 2.51874 -240.73548 701.51819
4630.0000 -249.50854 -239.94178 9.56677 2.56406 -239.75902 727.79913
4635.0000 -248.75203 -238.72450 10.02753 2.53381 -240.41062 706.44683
4640.0000 -249.63746 -240.38974 9.24772 2.58418 -239.32563 719.29042
4645.0000 -249.68762 -242.74339 6.94422 2.48513 -241.45945 670.75982
4650.0000 -251.09205 -242.69809 8.39396 2.40756 -243.13060 634.66445
4655.0000 -248.87756 -240.39733 8.48023 2.46465 -241.90064 675.16736
4660.0000 -249.08171 -239.94809 9.13362 2.52560 -240.58750 688.88816
4665.0000 -248.96028 -239.63103 9.32925 2.55900 -239.86811 719.36137
4670.0000 -248.30632 -239.17824 9.12808 2.60850 -238.80161 762.47047
4675.0000 -250.22180 -239.82820 10.39361 2.56955 -239.64063 735.26288
4680.0000 -247.31681 -238.88226 8.43455 2.56427 -239.75451 713.03165
4685.0000 -250.25422 -240.04323 10.21099 2.55020 -240.05766 713.59395
4690.0000 -248.34522 -239.43940 8.90582 2.57360 -239.55341 723.22686
4695.0000 -250.38539 -240.62758 9.75781 2.57321 -239.56180 741.03626
4700.0000 -249.27570 -240.63980 8.63590 2.48781 -241.40175 671.77480
4705.0000 -249.08052 -239.38207 9.69845 2.55619 -239.92850 726.16196
4710.0000 -250.19566 -241.48306 8.71260 2.49887 -241.16337 706.10062
4715.0000 -249.96321 -242.71182 7.25139 2.44723 -242.27597 650.56318
4720.0000 -250.63310 -241.94460 8.68850 2.41561 -242.95732 640.49389
4725.0000 -250.93279 -243.05822 7.87458 2.42937 -242.66084 648.73717
4730.0000 -250.38240 -244.08002 6.30238 2.41269 -243.02021 622.13891
4735.0000 -249.40247 -240.82274 8.57973 2.44051 -242.42070 652.35566
4740.0000 -250.61578 -240.43805 10.17774 2.54192 -240.23604 707.63961
4745.0000 -248.36285 -238.31062 10.05223 2.57891 -239.43905 725.07922
4750.0000 -248.83799 -240.09457 8.74342 2.57450 -239.53397 721.98044
FREEZING PROCESS: loop number 20 T-loop= 696.00000000000000
main_MD> interactions number 20 at Temperature= 696.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90086 1.18321 0.38978
force_rgl> df(natom) -1.05818 0.29722 -1.10477
4755.0000 -249.59509 -240.08187 9.51322 2.54077 -240.26073 707.41891
4760.0000 -248.21530 -239.21019 9.00511 2.56437 -239.75231 713.87954
4765.0000 -250.37775 -242.56303 7.81472 2.49939 -241.15222 698.62811
4770.0000 -250.51470 -242.00970 8.50500 2.41115 -243.05336 642.40787
4775.0000 -250.07214 -242.52318 7.54896 2.44426 -242.33991 667.01103
4780.0000 -249.61493 -240.95187 8.66307 2.44511 -242.32170 648.74041
4785.0000 -250.95293 -241.34817 9.60476 2.51743 -240.76357 692.97012
4790.0000 -249.85315 -241.14916 8.70399 2.49259 -241.29874 704.68127
4795.0000 -250.74673 -240.91731 9.82942 2.50884 -240.94859 707.14792
4800.0000 -248.08996 -238.26988 9.82008 2.56083 -239.82868 739.05271
4805.0000 -249.07549 -240.55908 8.51640 2.56556 -239.72662 706.21042
4810.0000 -250.01160 -240.34451 9.66709 2.51241 -240.87186 697.81047
4815.0000 -250.20861 -240.10642 10.10218 2.57390 -239.54693 722.09213
4820.0000 -249.12542 -240.65045 8.47497 2.54846 -240.09519 709.80706
4825.0000 -248.44789 -240.06014 8.38775 2.53268 -240.43510 707.25772
4830.0000 -250.10331 -238.67600 11.42731 2.55919 -239.86399 730.13044
4835.0000 -250.27706 -242.71682 7.56025 2.49726 -241.19813 693.45473
4840.0000 -250.65348 -242.75638 7.89710 2.42502 -242.75446 641.37171
4845.0000 -250.99616 -241.15062 9.84554 2.45438 -242.12202 668.04358
4850.0000 -249.11773 -239.34406 9.77367 2.54121 -240.25133 713.42287
4855.0000 -248.70864 -239.84873 8.85991 2.58182 -239.37643 742.67262
4860.0000 -249.21734 -241.03089 8.18645 2.58152 -239.38290 730.51112
4865.0000 -251.01779 -240.32894 10.68884 2.53054 -240.48119 710.60903
4870.0000 -251.24932 -241.59231 9.65701 2.52093 -240.68830 721.60743
4875.0000 -250.64687 -241.98209 8.66478 2.47398 -241.69963 694.74186
4880.0000 -251.74291 -243.38134 8.36157 2.44110 -242.40806 663.48072
4885.0000 -252.09750 -244.11968 7.97782 2.40364 -243.21511 641.13041
4890.0000 -250.25876 -242.70390 7.55485 2.45405 -242.12909 682.77294
4895.0000 -251.05716 -241.33728 9.71988 2.43029 -242.64109 662.48867
4900.0000 -249.59606 -241.41854 8.17752 2.49203 -241.31081 693.47828
4905.0000 -249.18534 -240.64095 8.54439 2.51129 -240.89581 684.44573
4910.0000 -249.06655 -239.93374 9.13280 2.55511 -239.95191 699.87495
4915.0000 -248.56445 -238.82018 9.74427 2.61068 -238.75456 743.00553
4920.0000 -249.17638 -240.42500 8.75138 2.54442 -240.18219 690.25430
4925.0000 -250.00997 -240.80822 9.20175 2.54246 -240.22445 736.82553
4930.0000 -250.05553 -242.03481 8.02073 2.50274 -241.08018 693.40489
4935.0000 -251.61042 -242.49700 9.11342 2.47025 -241.77999 674.14161
4940.0000 -249.23426 -239.81871 9.41555 2.55004 -240.06100 708.57847
4945.0000 -249.60217 -239.65100 9.95117 2.56440 -239.75158 727.14859
4950.0000 -250.41625 -241.71482 8.70142 2.52877 -240.51941 706.63071
4955.0000 -249.71451 -240.83831 8.87620 2.49525 -241.24152 673.98827
4960.0000 -250.51517 -242.19504 8.32012 2.46974 -241.79113 685.22499
4965.0000 -252.52963 -244.37875 8.15088 2.40394 -243.20870 623.54389
4970.0000 -251.78453 -242.36662 9.41791 2.39479 -243.40577 621.44322
4975.0000 -250.79044 -242.07165 8.71878 2.44008 -242.43008 656.16229
4980.0000 -250.50491 -240.62961 9.87530 2.50007 -241.13754 686.73493
4985.0000 -251.30877 -242.49528 8.81348 2.46746 -241.84010 665.95671
4990.0000 -249.81767 -241.01606 8.80160 2.47637 -241.64822 677.85554
4995.0000 -249.54214 -239.51906 10.02307 2.48736 -241.41153 660.16666
5000.0000 -249.84837 -241.02161 8.82676 2.53651 -240.35259 710.79806
FREEZING PROCESS: loop number 21 T-loop= 671.00000000000000
main_MD> interactions number 21 at Temperature= 671.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.00014 3.58285 0.27580
force_rgl> df(natom) -0.22727 -7.15502 6.68957
5005.0000 -250.67311 -241.12034 9.55277 2.50815 -240.96363 697.02172
5010.0000 -250.60070 -243.10784 7.49287 2.44277 -242.37219 645.91667
5015.0000 -250.79361 -242.23437 8.55924 2.47081 -241.76793 670.25160
5020.0000 -247.62033 -239.81059 7.80974 2.49163 -241.31941 678.25616
5025.0000 -248.52014 -240.10080 8.41934 2.51236 -240.87289 704.64572
5030.0000 -248.61117 -240.98278 7.62839 2.54866 -240.09088 710.91909
5035.0000 -251.27663 -243.65713 7.61950 2.44627 -242.29661 651.51354
5040.0000 -250.18130 -240.34739 9.83391 2.46702 -241.84977 682.21317
5045.0000 -251.55857 -242.94413 8.61444 2.46496 -241.89413 678.84222
5050.0000 -250.72420 -241.79017 8.93403 2.44578 -242.30724 664.37952
5055.0000 -251.77636 -243.18603 8.59033 2.44853 -242.24811 656.07977
5060.0000 -251.12469 -242.92262 8.20206 2.42876 -242.67404 647.71650
5065.0000 -250.08912 -242.12826 7.96086 2.45630 -242.08069 666.88399
5070.0000 -250.59038 -242.66317 7.92721 2.44228 -242.38263 660.25400
5075.0000 -250.36353 -241.82724 8.53629 2.44671 -242.28722 665.94884
5080.0000 -251.16592 -242.81258 8.35334 2.46510 -241.89106 675.04120
5085.0000 -251.04538 -242.54237 8.50301 2.40947 -243.08951 640.37810
5090.0000 -249.85901 -242.25288 7.60613 2.43658 -242.50553 648.09444
5095.0000 -250.78794 -242.93166 7.85628 2.45439 -242.12172 688.72011
5100.0000 -249.84031 -242.14225 7.69806 2.44559 -242.31136 656.72716
5105.0000 -250.55910 -241.40919 9.14991 2.46502 -241.89269 642.45063
5110.0000 -249.91953 -239.94537 9.97417 2.53961 -240.28569 715.66680
5115.0000 -249.15938 -240.51982 8.63957 2.53346 -240.41816 718.41257
5120.0000 -249.89493 -241.49468 8.40025 2.49420 -241.26408 700.77837
5125.0000 -249.11948 -240.20800 8.91148 2.49099 -241.33319 675.07486
5130.0000 -250.23200 -241.81176 8.42024 2.47578 -241.66089 666.10872
5135.0000 -249.73030 -241.78205 7.94825 2.44371 -242.35197 656.15731
5140.0000 -251.05461 -242.91715 8.13746 2.42776 -242.69552 647.95448
5145.0000 -250.60369 -242.88723 7.71646 2.42295 -242.79923 633.35037
5150.0000 -252.06541 -242.53001 9.53540 2.41133 -243.04937 614.76265
5155.0000 -250.51511 -243.37966 7.13546 2.42870 -242.67525 635.94165
5160.0000 -251.65373 -243.50520 8.14853 2.41845 -242.89609 622.22777
5165.0000 -250.73668 -241.91554 8.82114 2.45712 -242.06294 673.19122
5170.0000 -250.47482 -241.52246 8.95236 2.47995 -241.57117 679.59667
5175.0000 -250.77623 -242.80410 7.97213 2.48095 -241.54949 683.46699
5180.0000 -250.99630 -242.76177 8.23452 2.43084 -242.62908 647.58429
5185.0000 -250.87739 -242.96130 7.91609 2.39980 -243.29794 626.94653
5190.0000 -251.79147 -243.62616 8.16531 2.40568 -243.17115 627.76999
5195.0000 -249.84993 -241.34099 8.50895 2.40402 -243.20706 625.08426
5200.0000 -250.84002 -242.37827 8.46174 2.48959 -241.36343 676.87626
5205.0000 -250.35035 -242.70138 7.64897 2.46779 -241.83317 659.18186
5210.0000 -249.94231 -241.32383 8.61848 2.46059 -241.98829 664.85760
5215.0000 -249.44763 -240.91834 8.52929 2.45870 -242.02883 641.58842
5220.0000 -249.10236 -239.71890 9.38346 2.53670 -240.34847 681.33986
5225.0000 -249.13222 -240.36684 8.76538 2.57642 -239.49272 729.04939
5230.0000 -250.36310 -241.47686 8.88623 2.51417 -240.83382 708.57434
5235.0000 -250.97767 -241.61160 9.36607 2.50819 -240.96259 697.33783
5240.0000 -250.92597 -242.34352 8.58245 2.49023 -241.34963 702.39810
5245.0000 -251.64930 -242.82419 8.82511 2.41790 -242.90788 637.12495
5250.0000 -250.30642 -242.75747 7.54895 2.42671 -242.71804 634.11225
FREEZING PROCESS: loop number 22 T-loop= 646.00000000000000
main_MD> interactions number 22 at Temperature= 646.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.06983 -5.97759 -4.53511
force_rgl> df(natom) -4.87735 2.55424 -1.13779
5255.0000 -251.02780 -243.30137 7.72643 2.42482 -242.75883 634.39639
5260.0000 -250.75483 -242.08822 8.66661 2.43681 -242.50052 650.00713
5265.0000 -252.48963 -244.96239 7.52724 2.38594 -243.59640 615.32963
5270.0000 -252.41373 -243.83853 8.57519 2.34985 -244.37396 596.00087
5275.0000 -251.40441 -244.24603 7.15838 2.36234 -244.10491 596.42160
5280.0000 -252.05808 -244.37813 7.67994 2.34326 -244.51601 594.77991
5285.0000 -252.48145 -244.71373 7.76772 2.36846 -243.97309 606.20731
5290.0000 -250.88483 -242.41613 8.46870 2.38910 -243.52832 633.32343
5295.0000 -251.19290 -242.31917 8.87373 2.45604 -242.08618 658.06423
5300.0000 -250.68606 -242.24162 8.44445 2.42529 -242.74876 648.64292
5305.0000 -251.76758 -243.30139 8.46619 2.42593 -242.73495 665.63025
5310.0000 -251.90240 -242.70741 9.19498 2.40251 -243.23942 631.97210
5315.0000 -250.66801 -241.79832 8.86969 2.45097 -242.19554 673.15031
5320.0000 -251.32572 -242.53903 8.78669 2.44917 -242.23416 659.59764
5325.0000 -250.56034 -242.98503 7.57532 2.44454 -242.33407 643.42858
5330.0000 -250.56674 -242.64603 7.92071 2.46452 -241.90355 662.80498
5335.0000 -253.23869 -244.39405 8.84464 2.35588 -244.24405 596.13192
5340.0000 -251.71229 -243.21869 8.49360 2.34797 -244.41450 595.41749
5345.0000 -251.45368 -243.18651 8.26717 2.41078 -243.06128 636.35251
5350.0000 -251.73483 -244.97972 6.75511 2.36317 -244.08700 625.16419
5355.0000 -251.10536 -243.02166 8.08370 2.35841 -244.18955 617.60111
5360.0000 -253.06646 -244.56296 8.50350 2.37273 -243.88098 620.47141
5365.0000 -252.43421 -242.79690 9.63731 2.44478 -242.32887 685.20769
5370.0000 -252.39095 -242.91806 9.47288 2.43157 -242.61348 669.86484
5375.0000 -249.51126 -240.58895 8.92230 2.48009 -241.56799 662.03449
5380.0000 -248.84711 -240.39990 8.44721 2.57253 -239.57654 735.30499
5385.0000 -250.58581 -243.25502 7.33079 2.46941 -241.79810 670.24242
5390.0000 -251.19944 -243.76615 7.43329 2.40164 -243.25824 621.67464
5395.0000 -250.26639 -242.08588 8.18051 2.43525 -242.53404 619.48021
5400.0000 -249.77916 -241.72825 8.05091 2.44965 -242.22399 649.10790
5405.0000 -251.27752 -243.18981 8.08771 2.45992 -242.00271 651.24119
5410.0000 -251.96977 -242.72469 9.24508 2.42185 -242.82278 651.59439
5415.0000 -250.61265 -241.84947 8.76318 2.44282 -242.37110 668.64720
5420.0000 -252.24281 -243.77461 8.46820 2.39184 -243.46946 645.70536
5425.0000 -253.06583 -245.02746 8.03838 2.35547 -244.25291 627.11185
5430.0000 -253.87195 -245.37733 8.49463 2.34389 -244.50240 633.41251
5435.0000 -253.26092 -245.54869 7.71222 2.31459 -245.13361 611.34362
5440.0000 -253.18887 -245.26768 7.92120 2.33129 -244.77390 625.14297
5445.0000 -252.67530 -246.37982 6.29548 2.28877 -245.68985 592.51631
5450.0000 -252.91361 -245.97500 6.93860 2.28543 -245.76192 574.68791
5455.0000 -251.78130 -243.07519 8.70611 2.34482 -244.48234 611.68739
5460.0000 -250.78698 -243.88238 6.90460 2.39433 -243.41569 633.96346
5465.0000 -252.15271 -243.40530 8.74741 2.38876 -243.53567 604.92951
5470.0000 -252.14464 -244.16442 7.98022 2.37195 -243.89784 619.46753
5475.0000 -251.68169 -243.03254 8.64915 2.39896 -243.31606 634.13559
5480.0000 -250.09497 -242.58748 7.50749 2.44258 -242.37613 674.76699
5485.0000 -251.30759 -242.29557 9.01201 2.41190 -243.03720 623.71118
5490.0000 -249.03841 -239.73546 9.30295 2.49160 -241.32002 684.85073
5495.0000 -249.28414 -240.45058 8.83356 2.56267 -239.78891 717.19186
5500.0000 -251.36955 -242.12881 9.24074 2.52600 -240.57895 707.34425
FREEZING PROCESS: loop number 23 T-loop= 621.00000000000000
main_MD> interactions number 23 at Temperature= 621.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.59565 2.45756 -0.88783
force_rgl> df(natom) 1.02499 -0.56822 -2.85520
5505.0000 -250.96662 -242.86696 8.09966 2.39469 -243.40790 617.39945
5510.0000 -252.61244 -244.67082 7.94163 2.41265 -243.02107 646.56833
5515.0000 -251.82406 -243.73810 8.08596 2.37217 -243.89314 614.79268
5520.0000 -252.05174 -245.19457 6.85717 2.37707 -243.78758 614.96053
5525.0000 -252.93377 -244.77154 8.16224 2.33445 -244.70570 585.53446
5530.0000 -253.09983 -244.74866 8.35117 2.33518 -244.69015 591.79752
5535.0000 -252.89820 -245.18762 7.71058 2.34866 -244.39970 619.01499
5540.0000 -250.75613 -242.60460 8.15153 2.36880 -243.96567 599.00824
5545.0000 -252.81938 -244.11101 8.70837 2.40347 -243.21885 626.47353
5550.0000 -252.65031 -244.09293 8.55738 2.33676 -244.65611 608.54657
5555.0000 -253.69359 -245.76926 7.92434 2.28897 -245.68554 586.27780
5560.0000 -253.77831 -245.22414 8.55417 2.28472 -245.77712 557.69223
5565.0000 -252.20233 -243.60559 8.59674 2.35126 -244.34360 604.10721
5570.0000 -250.35712 -242.80534 7.55178 2.37085 -243.92158 610.61246
5575.0000 -251.11575 -242.77575 8.34000 2.45436 -242.12248 662.04348
5580.0000 -251.28582 -242.91183 8.37399 2.39327 -243.43856 640.38608
5585.0000 -251.61634 -243.94538 7.67096 2.44431 -242.33897 658.17787
5590.0000 -251.24034 -243.89832 7.34202 2.34920 -244.38803 576.15234
5595.0000 -253.76657 -245.34970 8.41687 2.32929 -244.81702 616.65478
5600.0000 -253.01621 -246.08703 6.92918 2.28814 -245.70353 578.38791
5605.0000 -250.98853 -244.14028 6.84825 2.34143 -244.55542 590.70841
5610.0000 -251.50686 -243.40087 8.10599 2.39059 -243.49619 618.07848
5615.0000 -252.20290 -244.02284 8.18006 2.38699 -243.57383 618.86880
5620.0000 -250.63612 -243.15508 7.48105 2.36720 -244.00019 596.18335
5625.0000 -251.90352 -244.17839 7.72513 2.37090 -243.92057 593.32560
5630.0000 -249.84531 -241.38209 8.46321 2.43338 -242.57440 643.68406
5635.0000 -251.51218 -241.51089 10.00129 2.47285 -241.72405 675.46340
5640.0000 -251.06549 -242.90358 8.16192 2.45170 -242.17969 654.39428
5645.0000 -252.33989 -243.94200 8.39789 2.38797 -243.55283 625.23420
5650.0000 -251.94092 -243.81212 8.12880 2.36342 -244.08159 590.56239
5655.0000 -253.04179 -244.59877 8.44301 2.35707 -244.21838 593.71838
5660.0000 -251.50645 -244.20741 7.29904 2.35451 -244.27369 598.82156
5665.0000 -251.45586 -243.08460 8.37126 2.42463 -242.76285 643.73641
5670.0000 -251.71884 -244.20808 7.51076 2.37583 -243.81428 627.51989
5675.0000 -252.90444 -244.84293 8.06151 2.33007 -244.80012 584.96588
5680.0000 -251.39413 -243.43528 7.95885 2.38467 -243.62381 618.78578
5685.0000 -252.12645 -243.13988 8.98656 2.39190 -243.46812 620.99582
5690.0000 -251.61590 -242.87635 8.73954 2.40391 -243.20925 613.29316
5695.0000 -251.65182 -243.07244 8.57938 2.39419 -243.41876 618.43142
5700.0000 -252.56264 -244.79304 7.76960 2.37094 -243.91963 609.64404
5705.0000 -250.38530 -243.03236 7.35294 2.37376 -243.85880 621.93611
5710.0000 -252.02022 -243.87117 8.14905 2.39199 -243.46610 629.35576
5715.0000 -252.72963 -245.25463 7.47500 2.34643 -244.44774 605.12866
5720.0000 -252.20291 -242.39544 9.80747 2.36175 -244.11774 606.61379
5725.0000 -249.87606 -240.36470 9.51135 2.47297 -241.72155 666.51816
5730.0000 -251.35283 -242.88463 8.46820 2.45434 -242.12288 636.02428
5735.0000 -250.84386 -243.50955 7.33431 2.41381 -242.99609 622.92699
5740.0000 -251.71744 -242.94206 8.77537 2.43048 -242.63694 624.06370
5745.0000 -252.03556 -243.71712 8.31844 2.41454 -242.98029 633.44224
5750.0000 -251.82264 -244.15226 7.67038 2.36448 -244.05879 605.90608
FREEZING PROCESS: loop number 24 T-loop= 596.00000000000000
main_MD> interactions number 24 at Temperature= 596.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17064 0.34406 -3.05920
force_rgl> df(natom) 0.81575 -0.50063 -0.40553
5755.0000 -252.26725 -244.06951 8.19775 2.38084 -243.70635 611.46960
5760.0000 -251.29692 -243.30058 7.99635 2.38451 -243.62734 624.46399
5765.0000 -251.50518 -242.51297 8.99221 2.43648 -242.50754 658.28227
5770.0000 -252.91425 -244.40045 8.51380 2.40444 -243.19795 641.61971
5775.0000 -251.57067 -243.88343 7.68725 2.35950 -244.16617 615.85703
5780.0000 -251.39392 -243.92637 7.46755 2.37386 -243.85663 595.96681
5785.0000 -251.85611 -244.62249 7.23362 2.35220 -244.32346 592.88183
5790.0000 -251.76903 -245.21913 6.54990 2.33618 -244.66846 609.96915
5795.0000 -251.44441 -243.85547 7.58893 2.33438 -244.70725 596.87735
5800.0000 -251.52029 -244.45918 7.06111 2.33291 -244.73907 569.82119
5805.0000 -252.08734 -244.17584 7.91150 2.35563 -244.24949 590.11181
5810.0000 -252.51168 -243.95548 8.55620 2.34869 -244.39894 588.36520
5815.0000 -251.74740 -242.56293 9.18447 2.38402 -243.63786 612.59663
5820.0000 -252.39498 -244.38776 8.00721 2.38704 -243.57270 631.85807
5825.0000 -252.54459 -244.36786 8.17673 2.34005 -244.58521 586.82447
5830.0000 -252.92903 -245.24628 7.68275 2.34541 -244.46959 594.69460
5835.0000 -252.86882 -245.53512 7.33370 2.30799 -245.27585 574.95136
5840.0000 -253.67891 -245.66278 8.01613 2.29414 -245.57417 570.85238
5845.0000 -253.57098 -246.06542 7.50556 2.32041 -245.00838 608.99680
5850.0000 -253.22429 -245.78332 7.44097 2.28409 -245.79068 576.82806
5855.0000 -253.52407 -246.90577 6.61831 2.28210 -245.83369 582.90793
5860.0000 -254.73316 -247.19205 7.54112 2.21131 -247.35874 522.33123
5865.0000 -252.01372 -244.69285 7.32087 2.27836 -245.91417 567.17844
5870.0000 -254.17489 -247.11939 7.05550 2.24261 -246.68442 541.31453
5875.0000 -253.26963 -245.93350 7.33614 2.23176 -246.91821 552.14645
5880.0000 -251.83018 -243.24532 8.58486 2.34979 -244.37530 621.51563
5885.0000 -252.46982 -246.04680 6.42302 2.31782 -245.06418 573.70542
5890.0000 -253.05212 -245.56103 7.49109 2.29049 -245.65279 547.32090
5895.0000 -252.60801 -244.57234 8.03567 2.33740 -244.64228 586.91706
5900.0000 -251.60570 -244.51093 7.09477 2.38318 -243.65591 605.47102
5905.0000 -251.77876 -243.88205 7.89670 2.37866 -243.75324 612.86632
5910.0000 -252.40542 -246.10296 6.30246 2.33153 -244.76861 597.31175
5915.0000 -253.93963 -245.89882 8.04081 2.28282 -245.81823 585.16324
5920.0000 -252.10900 -245.58221 6.52679 2.30422 -245.35715 601.20305
5925.0000 -253.26390 -244.85328 8.41062 2.29903 -245.46880 587.48749
5930.0000 -252.10774 -244.77129 7.33645 2.32838 -244.83651 578.33186
5935.0000 -252.38623 -244.87706 7.50917 2.37432 -243.84691 618.85979
5940.0000 -251.52056 -244.73035 6.79022 2.33814 -244.62623 581.95416
5945.0000 -252.30669 -244.38690 7.91979 2.31329 -245.16173 582.34505
5950.0000 -252.23523 -244.43013 7.80510 2.35959 -244.16422 613.33291
5955.0000 -252.09773 -244.13714 7.96059 2.36698 -244.00490 623.18873
5960.0000 -253.07138 -246.40857 6.66282 2.30686 -245.30026 578.66571
5965.0000 -252.18194 -244.95022 7.23172 2.30975 -245.23804 593.81856
5970.0000 -253.07498 -244.69564 8.37933 2.34212 -244.54066 599.17734
5975.0000 -252.49819 -244.69009 7.80810 2.34908 -244.39067 601.32052
5980.0000 -252.77769 -244.10396 8.67373 2.33973 -244.59211 601.90883
5985.0000 -253.63306 -245.41928 8.21378 2.32268 -244.95942 584.52394
5990.0000 -251.62651 -244.04840 7.57811 2.32775 -244.85019 580.55367
5995.0000 -252.67996 -245.35914 7.32082 2.36214 -244.10920 604.53729
6000.0000 -253.02129 -244.76792 8.25338 2.30943 -245.24487 567.33012
FREEZING PROCESS: loop number 25 T-loop= 571.00000000000000
main_MD> interactions number 25 at Temperature= 571.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.89563 -1.84524 -1.64156
force_rgl> df(natom) 0.40125 1.34501 0.99067
6005.0000 -252.90370 -245.31627 7.58743 2.32051 -245.00611 593.33515
6010.0000 -253.43959 -246.42160 7.01799 2.27956 -245.88834 573.09693
6015.0000 -252.36621 -244.96150 7.40471 2.30466 -245.34751 587.79563
6020.0000 -252.32821 -244.99883 7.32938 2.33736 -244.64316 609.36944
6025.0000 -252.32748 -244.07169 8.25580 2.30379 -245.36631 576.31181
6030.0000 -253.26422 -245.98969 7.27453 2.31140 -245.20233 560.63993
6035.0000 -253.38585 -246.57945 6.80640 2.25290 -246.46279 539.46234
6040.0000 -253.74174 -245.73010 8.01164 2.25928 -246.32529 544.85742
6045.0000 -253.10412 -245.30911 7.79502 2.27203 -246.05059 564.34864
6050.0000 -251.86062 -244.93562 6.92500 2.31465 -245.13229 594.77376
6055.0000 -253.13110 -245.62701 7.50409 2.31103 -245.21047 597.38831
6060.0000 -251.84225 -244.11406 7.72818 2.32723 -244.86137 600.39836
6065.0000 -252.84704 -244.81091 8.03613 2.34723 -244.43039 613.25131
6070.0000 -253.02807 -245.25427 7.77380 2.32888 -244.82588 595.80009
6075.0000 -251.79845 -244.99680 6.80164 2.33072 -244.78612 596.35125
6080.0000 -252.58446 -244.96147 7.62299 2.34727 -244.42951 594.46602
6085.0000 -251.11408 -243.75774 7.35634 2.33004 -244.80082 575.47353
6090.0000 -253.21875 -245.32855 7.89021 2.33792 -244.63098 581.14720
6095.0000 -252.76202 -244.85430 7.90772 2.31055 -245.22078 580.61146
6100.0000 -252.72345 -245.53195 7.19150 2.30686 -245.30018 572.05705
6105.0000 -252.39122 -245.09847 7.29276 2.32441 -244.92216 574.51417
6110.0000 -253.82728 -245.97871 7.84857 2.28612 -245.74694 570.57434
6115.0000 -252.57536 -245.66315 6.91222 2.30743 -245.28797 557.17021
6120.0000 -252.51485 -244.89732 7.61753 2.31693 -245.08315 571.78534
6125.0000 -252.78681 -244.84193 7.94488 2.33392 -244.71725 602.24810
6130.0000 -252.70834 -245.61901 7.08933 2.31858 -245.04771 588.65602
6135.0000 -252.20684 -244.71782 7.48902 2.31346 -245.15794 570.74617
6140.0000 -253.66154 -246.21806 7.44348 2.32009 -245.01525 575.95608
6145.0000 -252.24069 -244.58512 7.65558 2.29391 -245.57924 567.09682
6150.0000 -252.05365 -244.26860 7.78506 2.35075 -244.35465 594.64817
6155.0000 -251.91091 -244.42511 7.48580 2.33962 -244.59437 600.37554
6160.0000 -253.05370 -246.23831 6.81539 2.30907 -245.25253 562.95737
6165.0000 -252.70029 -246.05719 6.64310 2.27782 -245.92577 547.24133
6170.0000 -253.78097 -247.24958 6.53139 2.26692 -246.16075 532.76391
6175.0000 -252.99306 -246.45464 6.53841 2.24992 -246.52691 527.51497
6180.0000 -252.98477 -245.45330 7.53147 2.29509 -245.55387 556.16929
6185.0000 -251.48835 -244.31675 7.17160 2.30266 -245.39064 550.38195
6190.0000 -252.75630 -245.12056 7.63574 2.32045 -245.00750 580.06499
6195.0000 -254.49126 -246.47380 8.01746 2.32482 -244.91328 596.59773
6200.0000 -252.38574 -245.73096 6.65477 2.25813 -246.34996 544.30451
6205.0000 -254.11642 -246.54859 7.56783 2.24994 -246.52659 561.26943
6210.0000 -254.28896 -246.73887 7.55009 2.24823 -246.56339 557.08314
6215.0000 -254.04281 -246.31771 7.72511 2.22968 -246.96309 540.50718
6220.0000 -252.92601 -246.22886 6.69714 2.28058 -245.86640 569.39210
6225.0000 -252.91244 -246.40098 6.51146 2.28113 -245.85452 538.93268
6230.0000 -253.01133 -245.25843 7.75290 2.27298 -246.03014 554.63442
6235.0000 -253.23912 -245.23695 8.00217 2.30934 -245.24686 591.50582
6240.0000 -253.81675 -246.76825 7.04850 2.25012 -246.52258 586.44898
6245.0000 -254.22413 -247.85025 6.37388 2.20764 -247.43777 572.69680
6250.0000 -254.39898 -246.99301 7.40597 2.22344 -247.09739 563.39426
FREEZING PROCESS: loop number 26 T-loop= 546.00000000000000
main_MD> interactions number 26 at Temperature= 546.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.43919 -0.88970 -0.28633
force_rgl> df(natom) -1.22732 -0.75061 1.43327
6255.0000 -255.26401 -248.22123 7.04278 2.21475 -247.28466 547.41371
6260.0000 -252.70098 -245.67216 7.02882 2.24353 -246.66472 571.67205
6265.0000 -253.77125 -245.86776 7.90348 2.26721 -246.15451 570.18708
6270.0000 -254.36973 -248.52014 5.84959 2.21091 -247.36746 525.86433
6275.0000 -254.35654 -247.28762 7.06892 2.19712 -247.66455 537.27996
6280.0000 -253.99449 -247.39216 6.60233 2.19094 -247.79769 530.94594
6285.0000 -254.30176 -247.06830 7.23345 2.19917 -247.62042 530.02565
6290.0000 -253.93911 -246.43885 7.50025 2.23216 -246.90951 548.09464
6295.0000 -253.94321 -247.04006 6.90315 2.22605 -247.04114 547.75126
6300.0000 -253.42109 -246.90790 6.51319 2.20852 -247.41890 515.54423
6305.0000 -253.55487 -246.69198 6.86289 2.23642 -246.81788 525.31751
6310.0000 -254.53413 -248.10644 6.42769 2.21580 -247.26206 517.92936
6315.0000 -253.69837 -248.22556 5.47280 2.20968 -247.39392 509.64716
6320.0000 -254.12039 -247.19627 6.92413 2.22911 -246.97523 531.15312
6325.0000 -253.02037 -245.98468 7.03569 2.22904 -246.97682 540.70439
6330.0000 -255.33696 -248.25072 7.08624 2.21663 -247.24405 519.73269
6335.0000 -253.78144 -246.81975 6.96169 2.19554 -247.69855 528.38927
6340.0000 -253.81887 -247.23435 6.58452 2.22590 -247.04437 541.59210
6345.0000 -255.22560 -248.34481 6.88079 2.21200 -247.34395 522.73208
6350.0000 -255.02999 -248.50934 6.52065 2.17494 -248.14233 505.91602
6355.0000 -254.08761 -247.11563 6.97198 2.22060 -247.15866 521.34007
6360.0000 -253.68783 -247.60058 6.08725 2.19707 -247.66554 510.38810
6365.0000 -254.60407 -247.27789 7.32618 2.19157 -247.78407 523.52002
6370.0000 -253.68280 -246.92052 6.76227 2.21182 -247.34770 552.57774
6375.0000 -254.24655 -246.71569 7.53086 2.23670 -246.81180 543.79814
6380.0000 -254.07817 -246.94951 7.12866 2.22456 -247.07329 534.68617
6385.0000 -255.14862 -248.28788 6.86074 2.19223 -247.76991 536.85506
6390.0000 -255.04035 -247.76394 7.27641 2.18157 -247.99955 532.00041
6395.0000 -254.10003 -247.69205 6.40798 2.18000 -248.03332 526.16308
6400.0000 -254.34225 -247.61890 6.72334 2.18169 -247.99701 504.37427
6405.0000 -253.51484 -245.90520 7.60964 2.22735 -247.01328 535.14196
6410.0000 -253.69472 -246.24110 7.45362 2.29117 -245.63835 570.33495
6415.0000 -252.50162 -245.49620 7.00542 2.27527 -245.98076 575.38003
6420.0000 -253.98015 -246.73643 7.24373 2.27530 -245.98023 565.62681
6425.0000 -254.13932 -246.46833 7.67099 2.27276 -246.03481 570.18530
6430.0000 -253.63482 -246.21812 7.41670 2.26572 -246.18654 556.62059
6435.0000 -252.77422 -245.18401 7.59021 2.29203 -245.61967 564.07691
6440.0000 -253.32797 -245.73053 7.59744 2.29820 -245.48679 559.36337
6445.0000 -252.55881 -244.75948 7.79933 2.29175 -245.62580 552.46647
6450.0000 -251.88100 -245.59920 6.28180 2.33441 -244.70671 572.22379
6455.0000 -252.97777 -245.49386 7.48391 2.28575 -245.75492 540.23036
6460.0000 -254.15107 -246.46680 7.68427 2.26817 -246.13372 561.24053
6465.0000 -252.92155 -245.78699 7.13456 2.27704 -245.94260 558.86576
6470.0000 -254.62342 -247.68193 6.94149 2.27391 -246.01005 572.83143
6475.0000 -255.12550 -247.94347 7.18204 2.21292 -247.32400 545.01005
6480.0000 -254.78422 -248.10691 6.67731 2.18239 -247.98178 524.88036
6485.0000 -254.32810 -247.72315 6.60495 2.17966 -248.04068 501.88924
6490.0000 -254.22422 -247.90869 6.31553 2.19002 -247.81750 514.75065
6495.0000 -254.08829 -246.61746 7.47083 2.20775 -247.43552 523.75447
6500.0000 -252.50483 -245.28535 7.21947 2.27113 -246.06990 558.68811
FREEZING PROCESS: loop number 27 T-loop= 521.00000000000000
main_MD> interactions number 27 at Temperature= 521.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08448 0.69531 -0.41455
force_rgl> df(natom) -0.26541 -1.22854 0.49482
6505.0000 -253.35085 -246.57258 6.77827 2.25697 -246.37509 523.94608
6510.0000 -253.03476 -247.05107 5.98369 2.25795 -246.35394 537.11385
6515.0000 -254.06582 -247.31881 6.74701 2.22183 -247.13208 516.03675
6520.0000 -253.98762 -247.35811 6.62951 2.20527 -247.48899 518.05411
6525.0000 -254.16065 -247.32968 6.83098 2.22654 -247.03075 544.16643
6530.0000 -253.72238 -246.24645 7.47593 2.23043 -246.94687 533.94810
6535.0000 -253.86600 -246.36829 7.49771 2.25888 -246.33394 573.23664
6540.0000 -255.05758 -248.88489 6.17269 2.20115 -247.57763 539.59782
6545.0000 -255.35105 -248.98101 6.37004 2.13135 -249.08149 487.95089
6550.0000 -255.56522 -248.99017 6.57505 2.14618 -248.76203 496.29567
6555.0000 -253.57777 -247.17275 6.40502 2.13174 -249.07298 490.44170
6560.0000 -254.24606 -247.38705 6.85902 2.20389 -247.51854 548.89216
6565.0000 -254.21279 -246.56009 7.65270 2.21183 -247.34754 560.27686
6570.0000 -254.85740 -248.16577 6.69163 2.20134 -247.57357 557.20296
6575.0000 -255.77816 -249.54078 6.23738 2.14698 -248.74464 521.66492
6580.0000 -255.70625 -249.82069 5.88556 2.11112 -249.51731 486.32094
6585.0000 -255.65785 -249.48454 6.17330 2.11419 -249.45123 480.99757
6590.0000 -255.80486 -249.53236 6.27249 2.14347 -248.82027 498.00186
6595.0000 -254.73149 -247.68352 7.04797 2.15319 -248.61097 515.70772
6600.0000 -255.39737 -248.13217 7.26520 2.17010 -248.24665 529.23133
6605.0000 -254.85244 -247.66655 7.18590 2.19418 -247.72773 538.46822
6610.0000 -255.15371 -248.75607 6.39763 2.15791 -248.50915 522.17391
6615.0000 -254.34265 -247.97334 6.36930 2.17346 -248.17431 529.15589
6620.0000 -256.02177 -248.67960 7.34218 2.16474 -248.36203 530.87477
6625.0000 -255.15992 -249.27405 5.88587 2.15285 -248.61820 524.42593
6630.0000 -256.19389 -249.30890 6.88500 2.13890 -248.91887 528.61413
6635.0000 -254.72566 -247.13384 7.59182 2.19629 -247.68240 570.61645
6640.0000 -255.29759 -248.12217 7.17542 2.20535 -247.48719 545.86155
6645.0000 -255.00810 -248.31266 6.69544 2.16713 -248.31058 513.68091
6650.0000 -255.39389 -248.15356 7.24033 2.17153 -248.21578 513.58430
6655.0000 -254.70482 -248.22590 6.47892 2.17745 -248.08816 506.07519
6660.0000 -255.64458 -248.57396 7.07063 2.17682 -248.10183 522.81112
6665.0000 -254.76672 -247.67205 7.09466 2.16016 -248.46069 512.53369
6670.0000 -254.66035 -247.61819 7.04216 2.20373 -247.52200 531.89522
6675.0000 -254.83234 -248.44387 6.38847 2.16764 -248.29971 505.28636
6680.0000 -254.82887 -249.33964 5.48923 2.15554 -248.56035 503.14557
6685.0000 -253.74280 -247.92770 5.81510 2.13960 -248.90376 487.35663
6690.0000 -254.78144 -247.30337 7.47807 2.18183 -247.99400 511.94488
6695.0000 -255.01230 -247.66327 7.34904 2.19944 -247.61457 540.44537
6700.0000 -256.75591 -249.80236 6.95355 2.13238 -249.05929 509.53625
6705.0000 -256.66967 -249.99994 6.66973 2.11276 -249.48188 518.09682
6710.0000 -257.05746 -250.06445 6.99301 2.06280 -250.55838 482.81416
6715.0000 -256.65407 -250.25836 6.39572 2.11745 -249.38092 522.02368
6720.0000 -256.93010 -250.60625 6.32386 2.07235 -250.35261 487.69038
6725.0000 -256.30880 -249.88214 6.42666 2.11529 -249.42740 511.52577
6730.0000 -255.96175 -248.37394 7.58781 2.14756 -248.73230 526.99989
6735.0000 -255.80844 -249.43419 6.37425 2.14418 -248.80512 511.08262
6740.0000 -255.62604 -248.62901 6.99704 2.17321 -248.17969 533.84248
6745.0000 -255.31190 -249.83148 5.48042 2.10147 -249.72527 478.78663
6750.0000 -255.84932 -248.99243 6.85688 2.12109 -249.30243 503.03389
FREEZING PROCESS: loop number 28 T-loop= 496.00000000000000
main_MD> interactions number 28 at Temperature= 496.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80995 -4.54373 -2.92771
force_rgl> df(natom) -0.26780 2.04441 -0.71568
6755.0000 -255.87131 -249.28583 6.58547 2.11659 -249.39946 490.00704
6760.0000 -255.14497 -249.43082 5.71415 2.12256 -249.27086 496.85080
6765.0000 -255.34361 -249.58120 5.76241 2.13142 -249.08004 493.84390
6770.0000 -255.44235 -248.66600 6.77635 2.10932 -249.55609 482.25362
6775.0000 -255.18258 -249.22785 5.95473 2.12903 -249.13143 489.16122
6780.0000 -255.57676 -248.99472 6.58204 2.11798 -249.36947 487.06158
6785.0000 -255.52193 -249.54017 5.98176 2.10992 -249.54320 489.31720
6790.0000 -255.83195 -249.15310 6.67884 2.11385 -249.45856 487.53985
6795.0000 -256.73416 -250.43584 6.29832 2.14918 -248.69741 520.10089
6800.0000 -256.49113 -250.39528 6.09586 2.05952 -250.62893 469.73822
6805.0000 -256.18362 -249.18972 6.99390 2.08273 -250.12891 480.99037
6810.0000 -256.71341 -249.99929 6.71412 2.09978 -249.76171 501.96213
6815.0000 -256.78557 -250.19504 6.59053 2.07698 -250.25281 493.63837
6820.0000 -256.47554 -249.28364 7.19190 2.11087 -249.52273 509.83348
6825.0000 -255.75953 -249.09772 6.66180 2.11384 -249.45875 519.20167
6830.0000 -256.56279 -251.02967 5.53312 2.06710 -250.46562 480.53497
6835.0000 -255.80343 -249.67957 6.12385 2.05410 -250.74581 460.95380
6840.0000 -255.43344 -248.50647 6.92697 2.12679 -249.17964 518.63729
6845.0000 -256.00252 -249.96620 6.03631 2.11246 -249.48837 505.37075
6850.0000 -256.64928 -250.55874 6.09054 2.07331 -250.33188 478.46800
6855.0000 -256.57322 -250.30129 6.27193 2.06762 -250.45457 474.43069
6860.0000 -255.59213 -249.74463 5.84751 2.10268 -249.69920 500.16121
6865.0000 -255.86536 -250.20118 5.66418 2.09753 -249.81017 497.07427
6870.0000 -257.53885 -250.63014 6.90871 2.08953 -249.98235 490.78092
6875.0000 -257.36170 -251.20613 6.15558 2.06931 -250.41817 479.51796
6880.0000 -256.61978 -249.67045 6.94933 2.07385 -250.32024 492.14626
6885.0000 -257.54227 -250.99170 6.55057 2.07686 -250.25549 496.82520
6890.0000 -256.73739 -249.69389 7.04350 2.08217 -250.14108 505.99109
6895.0000 -255.93470 -249.36990 6.56480 2.10818 -249.58054 523.98561
6900.0000 -254.53121 -249.09232 5.43888 2.09964 -249.76470 510.91014
6905.0000 -256.27358 -250.45999 5.81360 2.11124 -249.51471 521.66721
6910.0000 -256.84334 -250.26604 6.57730 2.08437 -250.09361 505.60828
6915.0000 -256.13896 -249.19993 6.93903 2.11023 -249.53653 520.04230
6920.0000 -255.50238 -248.84719 6.65519 2.13866 -248.92398 529.77037
6925.0000 -255.79218 -248.74260 7.04959 2.13347 -249.03568 522.71345
6930.0000 -255.93412 -249.16262 6.77151 2.12476 -249.22345 526.49662
6935.0000 -256.79236 -249.72184 7.07053 2.12165 -249.29035 535.34346
6940.0000 -256.55010 -249.58065 6.96944 2.10269 -249.69883 511.92399
6945.0000 -255.81470 -249.63226 6.18245 2.12012 -249.32340 517.95843
6950.0000 -257.17473 -251.50517 5.66956 2.06061 -250.60541 470.04781
6955.0000 -256.41138 -250.80126 5.61012 2.05881 -250.64427 475.69219
6960.0000 -257.39113 -251.34366 6.04747 2.05816 -250.65821 474.55426
6965.0000 -256.91607 -251.71815 5.19792 2.03501 -251.15710 458.84016
6970.0000 -256.64193 -250.21724 6.42469 2.05080 -250.81677 465.40173
6975.0000 -256.50977 -250.44543 6.06434 2.07276 -250.34374 475.41958
6980.0000 -256.63698 -249.42653 7.21045 2.07818 -250.22704 493.94466
6985.0000 -255.14952 -247.90068 7.24884 2.13277 -249.05079 532.33918
6990.0000 -256.61288 -249.67601 6.93688 2.13637 -248.97325 541.16609
6995.0000 -256.79711 -250.19872 6.59839 2.09349 -249.89718 510.30214
7000.0000 -256.53041 -249.15580 7.37460 2.09310 -249.90562 512.80945
FREEZING PROCESS: loop number 29 T-loop= 471.00000000000000
main_MD> interactions number 29 at Temperature= 471.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.46746 -2.11408 -2.05567
force_rgl> df(natom) -1.50563 -4.97891 -1.08579
7005.0000 -256.86968 -251.26329 5.60640 2.08175 -250.15000 519.35715
7010.0000 -256.61544 -251.21279 5.40265 2.02315 -251.41249 466.40529
7015.0000 -256.46549 -250.66589 5.79960 2.02639 -251.34282 454.20035
7020.0000 -257.70697 -251.69787 6.00911 2.02453 -251.38275 457.13943
7025.0000 -257.28577 -252.57064 4.71513 2.00062 -251.89790 443.29944
7030.0000 -257.04653 -250.73397 6.31255 2.02269 -251.42239 452.88047
7035.0000 -256.34208 -249.90656 6.43552 2.06917 -250.42112 487.26745
7040.0000 -256.60317 -249.76164 6.84153 2.09508 -249.86288 507.13296
7045.0000 -256.81316 -250.61498 6.19817 2.07336 -250.33077 489.41090
7050.0000 -256.26882 -250.20491 6.06391 2.05542 -250.71741 459.57515
7055.0000 -256.30933 -250.31777 5.99155 2.09271 -249.91403 485.47193
7060.0000 -256.37383 -250.87894 5.49489 2.05001 -250.83394 450.95721
7065.0000 -257.32110 -252.60475 4.71636 2.03376 -251.18393 445.30330
7070.0000 -256.85433 -251.44251 5.41182 2.02327 -251.40988 431.48795
7075.0000 -256.50001 -251.05199 5.44802 2.02423 -251.38919 436.65834
7080.0000 -256.32838 -249.90664 6.42174 2.06856 -250.43421 467.40234
7085.0000 -257.34896 -250.89684 6.45212 2.09582 -249.84686 489.63321
7090.0000 -256.44732 -250.57535 5.87196 2.03188 -251.22453 447.56650
7095.0000 -256.17855 -250.60123 5.57733 2.05879 -250.64472 452.11405
7100.0000 -257.50780 -251.02017 6.48763 2.01434 -251.60236 431.34720
7105.0000 -256.73732 -251.13490 5.60241 2.04400 -250.96330 459.51487
7110.0000 -257.47231 -252.05402 5.41829 2.02895 -251.28764 436.96951
7115.0000 -257.36030 -251.18730 6.17300 2.01046 -251.68601 440.37080
7120.0000 -256.91814 -250.99924 5.91889 2.05011 -250.83176 456.23291
7125.0000 -256.86264 -249.63111 7.23152 2.08729 -250.03067 479.53824
7130.0000 -256.98473 -250.05809 6.92664 2.07270 -250.34508 476.74195
7135.0000 -258.35396 -252.22282 6.13114 2.01947 -251.49179 454.89509
7140.0000 -256.68526 -250.94565 5.73960 2.01160 -251.66145 443.43271
7145.0000 -258.09810 -251.75572 6.34238 2.01708 -251.54338 438.25579
7150.0000 -258.00998 -251.90479 6.10519 1.99335 -252.05452 441.77202
7155.0000 -257.90725 -252.14624 5.76101 2.00888 -251.71996 444.47704
7160.0000 -257.64051 -251.19195 6.44856 2.03573 -251.14149 466.58347
7165.0000 -257.48200 -251.74131 5.74069 2.01581 -251.57068 447.25094
7170.0000 -257.75374 -252.27401 5.47972 1.98521 -252.22995 414.09990
7175.0000 -257.86861 -251.77548 6.09312 2.01703 -251.54433 437.80312
7180.0000 -256.84364 -251.17061 5.67304 2.00975 -251.70118 440.01329
7185.0000 -256.89234 -250.78736 6.10498 2.04153 -251.01658 463.95619
7190.0000 -257.24409 -251.94943 5.29466 2.03618 -251.13185 455.38252
7195.0000 -255.67935 -249.60723 6.07212 2.04083 -251.03170 456.05890
7200.0000 -255.86769 -249.46863 6.39905 2.06750 -250.45696 471.12475
7205.0000 -256.04401 -249.97617 6.06785 2.10667 -249.61319 495.68356
7210.0000 -256.60033 -250.86737 5.73296 2.06769 -250.45288 466.90728
7215.0000 -257.09222 -251.89847 5.19376 2.00781 -251.74306 428.33932
7220.0000 -257.22136 -251.91126 5.31009 2.01730 -251.53857 445.88741
7225.0000 -256.78375 -251.27839 5.50536 2.01319 -251.62707 442.41605
7230.0000 -256.67480 -250.84152 5.83329 2.01675 -251.55043 448.32787
7235.0000 -256.76732 -250.75382 6.01350 2.06171 -250.58175 485.65199
7240.0000 -256.89830 -251.18423 5.71407 2.04887 -250.85834 474.73985
7245.0000 -256.30629 -250.01664 6.28965 2.05738 -250.67513 479.95006
7250.0000 -255.90868 -249.18774 6.72094 2.08682 -250.04090 494.85075
FREEZING PROCESS: loop number 30 T-loop= 446.00000000000000
main_MD> interactions number 30 at Temperature= 446.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.94483 2.27380 0.76254
force_rgl> df(natom) -1.69833 0.13053 0.04188
7255.0000 -256.44754 -250.97141 5.47613 2.11004 -249.54046 498.11065
7260.0000 -256.94294 -250.97863 5.96431 2.02819 -251.30405 456.71690
7265.0000 -257.42474 -251.51526 5.90948 2.04730 -250.89223 461.83180
7270.0000 -257.10116 -251.59908 5.50208 2.01282 -251.63501 436.18275
7275.0000 -258.38952 -252.63736 5.75216 2.00699 -251.76067 437.80973
7280.0000 -257.37136 -251.97256 5.39881 1.98265 -252.28514 415.81380
7285.0000 -257.91286 -251.57435 6.33851 2.02790 -251.31027 458.86886
7290.0000 -257.50962 -251.59549 5.91414 2.01900 -251.50203 443.57803
7295.0000 -257.92907 -252.04293 5.88614 1.99358 -252.04960 423.31250
7300.0000 -257.39855 -252.66272 4.73583 1.98365 -252.26362 407.39216
7305.0000 -256.78167 -251.57544 5.20622 1.98430 -252.24947 409.38540
7310.0000 -256.57174 -250.59752 5.97422 2.01186 -251.65589 437.65544
7315.0000 -256.93116 -251.64150 5.28966 2.01850 -251.51278 449.53544
7320.0000 -257.46160 -252.19984 5.26176 1.99559 -252.00627 437.86013
7325.0000 -257.44987 -252.16967 5.28020 1.99280 -252.06643 433.54255
7330.0000 -257.66231 -253.06605 4.59626 1.97154 -252.52438 412.01056
7335.0000 -257.11171 -251.68522 5.42649 1.98733 -252.18430 415.98340
7340.0000 -256.73506 -251.14606 5.58900 1.99811 -251.95202 429.31110
7345.0000 -257.56442 -251.54775 6.01668 2.03705 -251.11317 458.62742
7350.0000 -257.79835 -251.31438 6.48397 2.04240 -250.99792 465.17930
7355.0000 -256.79083 -251.09775 5.69307 2.05005 -250.83307 466.90402
7360.0000 -257.09557 -251.73600 5.35956 2.02569 -251.35779 456.79134
7365.0000 -258.28556 -251.76158 6.52398 2.00556 -251.79158 444.58823
7370.0000 -257.17313 -251.56756 5.60557 2.00920 -251.71316 454.24041
7375.0000 -257.66603 -252.43897 5.22706 2.02370 -251.40068 460.09219
7380.0000 -257.82837 -252.77631 5.05207 1.99709 -251.97400 436.16494
7385.0000 -257.46367 -252.43498 5.02869 1.97639 -252.41989 415.20102
7390.0000 -256.95617 -251.51633 5.43984 1.99928 -251.92688 426.41767
7395.0000 -256.94872 -251.04459 5.90413 2.03203 -251.22115 455.23665
7400.0000 -258.56574 -253.04967 5.51607 2.01560 -251.57521 450.77686
7405.0000 -257.48181 -252.30939 5.17243 1.95799 -252.81630 411.66196
7410.0000 -257.37634 -252.36982 5.00652 1.98030 -252.33570 427.75894
7415.0000 -257.91240 -252.38415 5.52825 1.99478 -252.02377 441.24689
7420.0000 -257.33268 -251.72730 5.60538 1.96864 -252.58687 416.97586
7425.0000 -257.74368 -252.21115 5.53252 1.97492 -252.45170 415.27967
7430.0000 -257.66527 -251.99606 5.66921 1.97046 -252.54776 422.41489
7435.0000 -257.97690 -252.05512 5.92178 1.99577 -252.00253 434.96536
7440.0000 -257.08493 -252.04707 5.03786 2.01953 -251.49063 459.29520
7445.0000 -256.41390 -251.06577 5.34813 2.02295 -251.41682 460.17375
7450.0000 -258.44231 -252.26938 6.17293 1.98890 -252.15048 436.76335
7455.0000 -257.11134 -251.68902 5.42232 2.01313 -251.62840 449.90220
7460.0000 -257.00261 -251.24568 5.75693 2.03415 -251.17546 456.52148
7465.0000 -257.64175 -252.23096 5.41079 2.02505 -251.37172 448.29247
7470.0000 -256.79477 -251.74633 5.04845 1.98386 -252.25907 428.26586
7475.0000 -257.08572 -251.89151 5.19421 1.99221 -252.07914 430.54562
7480.0000 -257.36111 -252.01640 5.34471 1.99850 -251.94359 434.11677
7485.0000 -257.78993 -251.82065 5.96928 1.99213 -252.08081 432.58256
7490.0000 -257.62884 -252.41344 5.21540 1.98009 -252.34023 419.54463
7495.0000 -258.27324 -252.03158 6.24166 1.97536 -252.44209 423.04407
7500.0000 -257.36108 -251.51133 5.84975 2.02444 -251.38473 452.23865
FREEZING PROCESS: loop number 31 T-loop= 421.00000000000000
main_MD> interactions number 31 at Temperature= 421.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.63633 -1.27579 1.43651
force_rgl> df(natom) -1.23560 1.09239 1.84982
7505.0000 -257.54719 -251.78398 5.76321 2.00717 -251.75677 432.32633
7510.0000 -258.20683 -252.83277 5.37406 1.96641 -252.63501 412.67012
7515.0000 -258.13844 -252.18844 5.95000 1.98626 -252.20738 428.50865
7520.0000 -258.21849 -253.20725 5.01124 1.96853 -252.58940 412.81551
7525.0000 -257.63631 -252.30663 5.32968 1.97254 -252.50296 414.41575
7530.0000 -256.66270 -251.91546 4.74724 2.00568 -251.78896 436.08370
7535.0000 -258.54883 -252.80420 5.74463 1.99370 -252.04696 424.23943
7540.0000 -257.91513 -252.30446 5.61067 1.98070 -252.32715 427.68816
7545.0000 -258.86651 -252.77634 6.09017 1.97129 -252.52983 435.92712
7550.0000 -258.45981 -253.20576 5.25405 1.96030 -252.76671 428.43304
7555.0000 -258.35807 -251.63371 6.72436 1.97296 -252.49392 444.47769
7560.0000 -258.30499 -252.55187 5.75312 2.01150 -251.66358 471.49002
7565.0000 -258.59726 -252.53369 6.06357 1.97000 -252.55765 437.02543
7570.0000 -257.93457 -252.75136 5.18322 1.96694 -252.62364 434.93324
7575.0000 -258.43186 -252.89920 5.53266 1.98100 -252.32061 445.71898
7580.0000 -258.19404 -252.65357 5.54047 1.93051 -253.40832 404.68506
7585.0000 -258.08191 -252.82646 5.25545 1.93647 -253.28002 417.95191
7590.0000 -258.26756 -252.70552 5.56203 1.94981 -252.99256 423.95903
7595.0000 -258.37831 -253.13947 5.23885 1.95479 -252.88534 424.58010
7600.0000 -258.41980 -252.65812 5.76168 1.97241 -252.50578 430.28599
7605.0000 -258.71569 -253.77769 4.93800 1.94665 -253.06072 417.17710
7610.0000 -258.43570 -252.95340 5.48230 1.91285 -253.78887 393.47672
7615.0000 -258.66882 -252.19747 6.47135 1.96700 -252.62224 421.29611
7620.0000 -257.57445 -251.91602 5.65843 1.98357 -252.26526 450.78224
7625.0000 -257.43560 -251.47194 5.96366 2.00331 -251.83990 462.56856
7630.0000 -257.86093 -252.21085 5.65008 2.00157 -251.87739 450.58016
7635.0000 -257.98572 -252.30718 5.67854 1.95076 -252.97217 407.18757
7640.0000 -258.35154 -252.79668 5.55486 1.94593 -253.07614 408.44245
7645.0000 -258.11859 -253.25826 4.86033 1.93986 -253.20688 402.74416
7650.0000 -256.39978 -251.77424 4.62554 1.98604 -252.21196 439.45042
7655.0000 -259.54182 -252.88273 6.65909 1.98481 -252.23855 448.55349
7660.0000 -258.25054 -252.38247 5.86807 1.96837 -252.59280 439.88587
7665.0000 -258.31204 -253.18604 5.12600 1.96114 -252.74854 437.62505
7670.0000 -258.81196 -253.44969 5.36227 1.93536 -253.30384 411.18173
7675.0000 -258.77358 -253.50289 5.27070 1.92144 -253.60381 402.33432
7680.0000 -258.78616 -252.79325 5.99292 1.93484 -253.31511 411.06712
7685.0000 -258.94860 -252.93187 6.01673 1.97124 -252.53095 441.82565
7690.0000 -258.67829 -252.59895 6.07934 1.96634 -252.63643 435.62442
7695.0000 -258.15965 -252.67888 5.48077 1.97800 -252.38522 445.43614
7700.0000 -258.20859 -253.25854 4.95005 1.95341 -252.91500 425.36993
7705.0000 -258.69841 -253.48547 5.21294 1.94077 -253.18727 419.37631
7710.0000 -258.02671 -252.26328 5.76343 1.94810 -253.02948 413.29691
7715.0000 -258.13640 -252.92041 5.21599 1.96391 -252.68895 422.39138
7720.0000 -258.33983 -252.80921 5.53062 1.96421 -252.68235 423.54431
7725.0000 -258.70575 -252.96598 5.73977 1.95541 -252.87189 420.99565
7730.0000 -258.29006 -252.47647 5.81359 1.95212 -252.94283 414.84115
7735.0000 -257.40371 -251.95570 5.44801 1.99215 -252.08035 444.15510
7740.0000 -257.90095 -253.03639 4.86455 2.01274 -251.63690 455.63477
7745.0000 -258.74783 -254.01289 4.73495 1.94365 -253.12535 418.80368
7750.0000 -258.68313 -252.90753 5.77559 1.92184 -253.59520 403.88315
FREEZING PROCESS: loop number 32 T-loop= 396.00000000000000
main_MD> interactions number 32 at Temperature= 396.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18886 0.96604 -1.12112
force_rgl> df(natom) 2.77798 0.31199 -0.01793
7755.0000 -259.18224 -253.86637 5.31586 1.90988 -253.85278 390.65203
7760.0000 -258.83246 -253.81215 5.02031 1.88034 -254.48927 370.86809
7765.0000 -258.89492 -254.39228 4.50265 1.89403 -254.19442 380.69794
7770.0000 -259.75289 -255.03677 4.71612 1.86841 -254.74634 359.89034
7775.0000 -258.96838 -253.89901 5.06937 1.89698 -254.13082 382.46455
7780.0000 -258.53071 -253.77849 4.75222 1.90438 -253.97140 388.54049
7785.0000 -259.09800 -253.83246 5.26554 1.89651 -254.14097 385.38065
7790.0000 -258.53583 -253.75277 4.78306 1.92927 -253.43504 405.81897
7795.0000 -259.01291 -254.75948 4.25343 1.89459 -254.18220 385.58842
7800.0000 -259.44652 -254.03637 5.41016 1.89149 -254.24898 379.13292
7805.0000 -259.23815 -253.47413 5.76402 1.90027 -254.05990 385.62612
7810.0000 -259.51532 -254.45449 5.06082 1.92774 -253.46810 410.81534
7815.0000 -259.23960 -254.30083 4.93877 1.89898 -254.08778 388.00736
7820.0000 -258.41090 -253.69410 4.71680 1.90977 -253.85517 395.20958
7825.0000 -258.03913 -252.42762 5.61151 1.93939 -253.21721 418.78402
7830.0000 -258.77695 -253.64525 5.13170 1.92118 -253.60953 405.36465
7835.0000 -258.66408 -253.17908 5.48500 1.95142 -252.95799 420.70331
7840.0000 -258.54108 -253.39500 5.14608 1.93779 -253.25151 418.80905
7845.0000 -258.39468 -252.87933 5.51535 1.92301 -253.56997 405.77383
7850.0000 -258.99484 -253.97440 5.02044 1.91915 -253.65318 400.99833
7855.0000 -259.14570 -253.82698 5.31873 1.89097 -254.26035 380.38844
7860.0000 -259.05984 -253.03369 6.02615 1.94868 -253.01697 422.04726
7865.0000 -258.58416 -254.03003 4.55413 1.91682 -253.70345 397.73044
7870.0000 -258.54615 -253.22195 5.32419 1.92184 -253.59529 405.60921
7875.0000 -258.89859 -252.63132 6.26728 1.94837 -253.02366 423.93239
7880.0000 -258.65084 -252.95323 5.69761 1.96614 -252.64079 436.80967
7885.0000 -258.97562 -254.52459 4.45103 1.92558 -253.51472 403.72752
7890.0000 -259.93201 -254.38025 5.55176 1.87999 -254.49684 371.67139
7895.0000 -259.24733 -254.87900 4.36833 1.88017 -254.49291 367.31491
7900.0000 -257.97349 -253.43289 4.54060 1.88154 -254.46354 372.74964
7905.0000 -259.08973 -253.96041 5.12932 1.91026 -253.84464 394.76295
7910.0000 -258.83743 -254.38331 4.45413 1.89708 -254.12875 382.40213
7915.0000 -258.70010 -254.29238 4.40773 1.87211 -254.66670 365.57731
7920.0000 -259.94745 -255.31998 4.62747 1.87183 -254.67259 367.66058
7925.0000 -259.45027 -254.46438 4.98589 1.86257 -254.87211 358.12946
7930.0000 -259.38491 -254.54727 4.83764 1.88706 -254.34455 377.79635
7935.0000 -259.37518 -254.40311 4.97207 1.90579 -253.94101 392.95734
7940.0000 -258.80138 -254.17103 4.63035 1.89752 -254.11912 386.10591
7945.0000 -259.14930 -254.19879 4.95051 1.89348 -254.20624 381.78881
7950.0000 -259.32045 -254.85920 4.46125 1.90070 -254.05074 386.13718
7955.0000 -259.74736 -255.34038 4.40697 1.85234 -255.09257 350.88544
7960.0000 -259.04501 -254.12269 4.92232 1.87837 -254.53166 372.92284
7965.0000 -258.73269 -253.57370 5.15899 1.90989 -253.85265 395.33809
7970.0000 -258.70651 -254.00899 4.69752 1.91199 -253.80753 396.41153
7975.0000 -258.51710 -253.32547 5.19163 1.90593 -253.93807 393.14100
7980.0000 -259.08571 -254.20121 4.88450 1.92029 -253.62865 402.44651
7985.0000 -259.32419 -254.82818 4.49600 1.89070 -254.26601 380.07364
7990.0000 -259.46874 -254.30691 5.16183 1.86924 -254.72838 363.42476
7995.0000 -258.77640 -254.00551 4.77088 1.90391 -253.98151 389.70309
8000.0000 -259.74228 -254.60981 5.13247 1.89952 -254.07599 390.07461
FREEZING PROCESS: loop number 33 T-loop= 371.00000000000000
main_MD> interactions number 33 at Temperature= 371.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81118 1.13956 -3.08211
force_rgl> df(natom) -0.05658 -0.05550 0.52545
8005.0000 -259.17194 -254.01441 5.15753 1.89377 -254.19988 382.54950
8010.0000 -259.76194 -255.10656 4.65538 1.88560 -254.37604 374.60293
8015.0000 -259.23010 -254.43636 4.79375 1.86284 -254.86640 362.69131
8020.0000 -259.28496 -254.46261 4.82235 1.88624 -254.36210 375.65692
8025.0000 -258.62050 -253.34668 5.27382 1.92404 -253.54782 405.12676
8030.0000 -259.17188 -254.26527 4.90661 1.91891 -253.65835 403.43367
8035.0000 -259.52670 -255.04123 4.48548 1.86850 -254.74437 363.31878
8040.0000 -259.08030 -255.20934 3.87097 1.85236 -255.09205 351.58301
8045.0000 -260.33687 -255.57347 4.76339 1.82803 -255.61636 331.78974
8050.0000 -259.25628 -254.51269 4.74359 1.86359 -254.85011 355.34424
8055.0000 -258.96581 -254.65651 4.30931 1.89034 -254.27394 377.30309
8060.0000 -259.38177 -254.52878 4.85299 1.87826 -254.53403 371.64956
8065.0000 -260.20362 -255.12770 5.07592 1.85145 -255.11177 348.90027
8070.0000 -258.88647 -254.82190 4.06457 1.84300 -255.29374 345.92631
8075.0000 -259.29660 -254.30441 4.99219 1.88119 -254.47109 376.24985
8080.0000 -259.28935 -254.46159 4.82776 1.87367 -254.63294 365.49809
8085.0000 -259.43938 -254.75925 4.68012 1.88258 -254.44094 371.94103
8090.0000 -259.85137 -255.03813 4.81324 1.86590 -254.80031 362.73292
8095.0000 -259.03394 -254.94653 4.08741 1.86731 -254.77006 362.74201
8100.0000 -259.68402 -255.12930 4.55472 1.87095 -254.69167 364.67215
8105.0000 -259.08560 -254.72317 4.36243 1.85198 -255.10030 351.50318
8110.0000 -260.04257 -255.03959 5.00298 1.85700 -254.99224 358.93033
8115.0000 -259.00437 -253.42894 5.57544 1.87594 -254.58409 369.71496
8120.0000 -258.61152 -253.85104 4.76047 1.91143 -253.81955 394.94078
8125.0000 -258.61383 -253.16096 5.45287 1.92285 -253.57352 404.19677
8130.0000 -259.87129 -255.09345 4.77783 1.89304 -254.21567 375.89862
8135.0000 -260.36406 -255.87462 4.48944 1.83960 -255.36699 340.84410
8140.0000 -259.98156 -255.99007 3.99149 1.83296 -255.51004 336.84008
8145.0000 -259.61490 -254.58619 5.02871 1.82634 -255.65276 332.86379
8150.0000 -259.86723 -255.28979 4.57744 1.84392 -255.27385 347.14118
8155.0000 -259.17767 -254.86172 4.31595 1.84371 -255.27842 343.25724
8160.0000 -259.40149 -254.99629 4.40519 1.86252 -254.87329 363.17000
8165.0000 -260.15678 -255.51258 4.64420 1.85446 -255.04683 352.39583
8170.0000 -259.15577 -253.99429 5.16148 1.86592 -254.79998 362.00066
8175.0000 -260.06368 -254.61894 5.44474 1.88210 -254.45146 375.15629
8180.0000 -258.95691 -253.98613 4.97078 1.87851 -254.52865 369.62726
8185.0000 -259.76323 -255.14565 4.61758 1.87792 -254.54136 372.88754
8190.0000 -259.06602 -254.41532 4.65070 1.85725 -254.98675 356.92918
8195.0000 -258.48931 -253.66287 4.82644 1.90090 -254.04628 387.46940
8200.0000 -258.74171 -253.92568 4.81603 1.90022 -254.06106 388.48242
8205.0000 -258.02375 -253.21127 4.81248 1.92199 -253.59200 407.80699
8210.0000 -259.44042 -254.73142 4.70900 1.89913 -254.08443 386.62393
8215.0000 -258.85663 -254.08222 4.77442 1.87248 -254.65875 370.98394
8220.0000 -259.41352 -254.32144 5.09208 1.91153 -253.81737 395.80359
8225.0000 -259.23938 -254.40936 4.83002 1.88892 -254.30439 381.41433
8230.0000 -259.28348 -254.98383 4.29965 1.88381 -254.41451 376.34004
8235.0000 -259.48035 -254.84385 4.63650 1.85635 -255.00613 353.75881
8240.0000 -260.31387 -255.83422 4.47965 1.86780 -254.75957 364.36757
8245.0000 -259.33859 -255.41466 3.92393 1.84504 -255.24975 348.63494
8250.0000 -259.61791 -254.55790 5.06002 1.86525 -254.81442 361.31053
FREEZING PROCESS: loop number 34 T-loop= 346.00000000000000
main_MD> interactions number 34 at Temperature= 346.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26439 0.83497 -0.37855
force_rgl> df(natom) 4.44663 -2.36327 -0.19946
8255.0000 -259.68765 -254.76626 4.92139 1.88380 -254.41473 374.15904
8260.0000 -259.83811 -254.76686 5.07125 1.87630 -254.57631 371.60108
8265.0000 -258.83115 -254.77466 4.05649 1.88069 -254.48172 373.43250
8270.0000 -260.14554 -255.72386 4.42168 1.84715 -255.20438 346.91271
8275.0000 -260.02944 -255.63998 4.38947 1.82719 -255.63432 334.54044
8280.0000 -260.24882 -256.12974 4.11908 1.80846 -256.03790 317.85254
8285.0000 -259.79029 -255.78884 4.00145 1.82809 -255.61491 331.62269
8290.0000 -259.89366 -255.44607 4.44759 1.83194 -255.53208 336.16100
8295.0000 -259.84903 -255.62309 4.22595 1.82903 -255.59471 328.22068
8300.0000 -259.70543 -255.39169 4.31374 1.84328 -255.28765 343.37232
8305.0000 -260.01642 -256.20629 3.81013 1.81943 -255.80165 324.48347
8310.0000 -259.41079 -255.52479 3.88599 1.81745 -255.84433 325.36841
8315.0000 -259.46786 -255.08181 4.38605 1.83984 -255.36195 339.66394
8320.0000 -260.17483 -255.55885 4.61598 1.83610 -255.44252 338.84744
8325.0000 -258.71888 -254.23106 4.48782 1.86483 -254.82337 359.88975
8330.0000 -259.43425 -254.89852 4.53573 1.88441 -254.40151 373.98680
8335.0000 -259.32668 -254.81466 4.51202 1.87218 -254.66520 364.47500
8340.0000 -259.79337 -255.86372 3.92965 1.84374 -255.27775 346.18459
8345.0000 -259.45638 -255.83237 3.62401 1.82349 -255.71400 328.82511
8350.0000 -260.29789 -255.73987 4.55802 1.80647 -256.08086 314.68516
8355.0000 -258.93726 -254.74333 4.19393 1.84487 -255.25350 346.85305
8360.0000 -259.50904 -255.28364 4.22541 1.85577 -255.01875 352.26680
8365.0000 -259.56700 -256.00897 3.55803 1.83973 -255.36425 341.51139
8370.0000 -260.41452 -255.89045 4.52407 1.81242 -255.95259 318.96981
8375.0000 -259.50982 -255.22114 4.28867 1.81771 -255.83869 324.31080
8380.0000 -259.66875 -255.33543 4.33332 1.85165 -255.10751 350.98807
8385.0000 -259.68031 -255.29877 4.38154 1.83042 -255.56476 334.00681
8390.0000 -259.71266 -255.59984 4.11282 1.83947 -255.36982 341.47847
8395.0000 -259.71955 -255.28854 4.43101 1.82823 -255.61200 334.80841
8400.0000 -259.64290 -255.19009 4.45281 1.84036 -255.35062 342.58597
8405.0000 -258.66143 -254.18531 4.47612 1.86575 -254.80370 362.97285
8410.0000 -260.29444 -255.62861 4.66583 1.86028 -254.92146 356.68935
8415.0000 -259.53899 -255.28849 4.25050 1.83777 -255.40648 339.31996
8420.0000 -259.68150 -255.75104 3.93045 1.83577 -255.44950 339.49303
8425.0000 -260.27954 -255.09881 5.18072 1.83248 -255.52044 334.90377
8430.0000 -259.35029 -254.89633 4.45395 1.87133 -254.68336 365.62482
8435.0000 -259.41246 -255.28297 4.12949 1.84767 -255.19324 350.21743
8440.0000 -260.28402 -256.07217 4.21185 1.80566 -256.09821 316.24196
8445.0000 -260.37881 -255.76801 4.61080 1.82630 -255.65356 334.06363
8450.0000 -259.75330 -255.83744 3.91587 1.82978 -255.57858 335.14181
8455.0000 -259.21809 -255.11334 4.10475 1.85454 -255.04508 352.37148
8460.0000 -259.17228 -254.34307 4.82921 1.86992 -254.71390 365.48168
8465.0000 -259.30818 -255.19170 4.11648 1.84349 -255.28329 343.26055
8470.0000 -259.70039 -254.79941 4.90099 1.85358 -255.06585 351.62082
8475.0000 -259.37726 -254.52574 4.85152 1.88260 -254.44059 370.07528
8480.0000 -259.49251 -254.72257 4.76994 1.88927 -254.29684 375.69359
8485.0000 -259.86923 -255.51270 4.35653 1.86178 -254.88908 356.86515
8490.0000 -259.15038 -254.81664 4.33373 1.84150 -255.32613 344.48495
8495.0000 -260.36188 -255.23742 5.12446 1.85853 -254.95928 356.40965
8500.0000 -259.75882 -255.22208 4.53674 1.84105 -255.33583 340.28405
FREEZING PROCESS: loop number 35 T-loop= 321.00000000000000
main_MD> interactions number 35 at Temperature= 321.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49565 3.77181 2.12208
force_rgl> df(natom) 0.66242 -0.90998 -1.86488
8505.0000 -260.34684 -256.47778 3.86906 1.81345 -255.93040 325.31241
8510.0000 -259.84074 -256.21583 3.62491 1.79399 -256.34973 306.19865
8515.0000 -260.02179 -255.70951 4.31228 1.80439 -256.12568 313.53545
8520.0000 -260.35067 -256.08700 4.26367 1.81534 -255.88960 324.98068
8525.0000 -260.29881 -256.01773 4.28108 1.80471 -256.11877 315.48335
8530.0000 -259.84408 -255.60954 4.23454 1.82253 -255.73482 329.42660
8535.0000 -259.87174 -255.66603 4.20571 1.81535 -255.88938 323.80500
8540.0000 -259.63264 -255.87975 3.75290 1.81366 -255.92597 323.49422
8545.0000 -260.25723 -256.02331 4.23392 1.79536 -256.32015 307.03140
8550.0000 -260.69463 -256.44687 4.24776 1.80126 -256.19301 312.87824
8555.0000 -260.37002 -256.50783 3.86219 1.78530 -256.53696 299.22049
8560.0000 -260.28495 -256.46126 3.82369 1.79245 -256.38291 306.77275
8565.0000 -260.37121 -256.08585 4.28535 1.80002 -256.21976 311.97019
8570.0000 -259.69978 -255.03479 4.66500 1.83701 -255.42292 342.49999
8575.0000 -259.78967 -255.71321 4.07646 1.82523 -255.67664 330.75771
8580.0000 -259.69451 -255.86184 3.83267 1.81953 -255.79939 325.36910
8585.0000 -260.38080 -256.71643 3.66437 1.79930 -256.23529 309.66288
8590.0000 -259.92358 -255.21931 4.70427 1.80661 -256.07774 315.59218
8595.0000 -260.13685 -255.79264 4.34421 1.83811 -255.39916 342.04661
8600.0000 -259.73420 -255.49076 4.24344 1.83610 -255.44244 339.02855
8605.0000 -259.47473 -255.49135 3.98338 1.83153 -255.54091 334.37869
8610.0000 -259.82308 -255.78001 4.04307 1.81796 -255.83334 327.01418
8615.0000 -260.30220 -256.11466 4.18754 1.79832 -256.25635 307.12303
8620.0000 -259.95369 -255.67597 4.27772 1.81321 -255.93564 322.21886
8625.0000 -259.43628 -254.95690 4.47938 1.83241 -255.52184 336.31034
8630.0000 -259.91355 -255.87204 4.04150 1.82643 -255.65070 330.49357
8635.0000 -260.52699 -255.94105 4.58595 1.81671 -255.86023 325.67477
8640.0000 -259.73582 -255.73622 3.99960 1.84295 -255.29489 339.57757
8645.0000 -259.28964 -255.14751 4.14214 1.83269 -255.51598 337.79569
8650.0000 -259.46806 -255.83290 3.63516 1.84218 -255.31148 344.25882
8655.0000 -260.26257 -256.33979 3.92278 1.80345 -256.14582 314.39308
8660.0000 -260.42281 -256.70016 3.72265 1.77979 -256.65556 296.87558
8665.0000 -259.72785 -255.91225 3.81561 1.79399 -256.34971 305.16046
8670.0000 -260.37791 -256.42362 3.95429 1.78605 -256.52064 300.06404
8675.0000 -260.39809 -256.95364 3.44444 1.79316 -256.36755 308.33984
8680.0000 -260.25841 -256.88005 3.37836 1.76738 -256.92302 284.32713
8685.0000 -260.82730 -256.32283 4.50447 1.78355 -256.57467 300.34701
8690.0000 -258.96861 -255.24581 3.72280 1.80764 -256.05566 316.13715
8695.0000 -259.55325 -255.25142 4.30183 1.84613 -255.22626 347.29481
8700.0000 -260.07382 -255.69190 4.38192 1.83230 -255.52424 334.28401
8705.0000 -259.64383 -255.57905 4.06478 1.81724 -255.84871 323.73892
8710.0000 -259.96997 -255.64637 4.32360 1.81543 -255.88776 324.47102
8715.0000 -259.87427 -256.02381 3.85046 1.81643 -255.86610 323.23651
8720.0000 -260.68232 -257.12595 3.55637 1.79804 -256.26232 310.27927
8725.0000 -260.42618 -256.01917 4.40702 1.78701 -256.50011 299.78736
8730.0000 -260.61319 -256.16665 4.44655 1.80230 -256.17057 313.67523
8735.0000 -260.16625 -256.11351 4.05274 1.81743 -255.84472 322.87342
8740.0000 -260.60497 -256.29642 4.30855 1.80728 -256.06334 316.07791
8745.0000 -260.93862 -257.20897 3.72965 1.77897 -256.67316 294.82910
8750.0000 -260.61821 -256.44939 4.16882 1.78916 -256.45378 301.41459
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 16 [min], 24.3658747 [s].
main_MD> Deallocating global variables
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