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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_35/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_35.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 = 35 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 35 3500
main_MD> Size of nv and nvoiz: 35 3500
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 = 35
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> 2.2314621843831008E-003 -0.13364536688086670 -0.13562255241303070 initial drift of cluster / NP1 for coalescence
init> 0.36738306570647156 0.34843666752617225 0.31277583463523984 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7822349552934422E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24112 -5.35128 4.64017
force_rgl> df(natom) -0.09362 1.37742 1.20729
preparo> THERMALIZATION PROCESS AT 1243.5775874364372
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -74.914463265093090 5.3418578798787086 -80.256321144971793 5.8520785662924499E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1216.0000000000000
main_MD> interactions number 1 at Temperature= 1216.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.14852 6.51257 0.72814
force_rgl> df(natom) 1.01825 2.00281 0.22009
5.0000 -81.54263 -76.53099 5.01164 2.59403 -75.49426 1106.62461
10.0000 -80.20079 -75.48433 4.71646 2.48915 -76.61644 980.52914
15.0000 -79.50847 -74.49671 5.01176 2.56663 -75.78740 1027.70465
20.0000 -79.62895 -72.21748 7.41147 2.76067 -73.71115 1296.24240
25.0000 -78.57437 -72.77374 5.80063 2.84372 -72.82259 1324.44999
30.0000 -79.04685 -73.41066 5.63619 2.83679 -72.89667 1277.91440
35.0000 -79.33096 -74.15477 5.17620 2.75456 -73.77659 1227.88610
40.0000 -79.33548 -74.68134 4.65414 2.69679 -74.39466 1131.47164
45.0000 -79.16609 -73.83510 5.33099 2.66127 -74.77477 1125.48386
50.0000 -80.56555 -76.11393 4.45163 2.66383 -74.74737 1131.04351
55.0000 -79.40775 -74.16305 5.24469 2.71031 -74.25005 1171.40379
60.0000 -79.07617 -73.45291 5.62326 2.76243 -73.69233 1243.78767
65.0000 -80.22049 -75.26394 4.95655 2.73786 -73.95521 1198.07881
70.0000 -79.87774 -74.82807 5.04968 2.57606 -75.68643 1093.88968
75.0000 -78.47431 -72.28755 6.18676 2.83655 -72.89922 1283.99883
80.0000 -80.01414 -73.39814 6.61601 2.82528 -73.01981 1323.13590
85.0000 -77.85944 -71.51509 6.34435 2.86672 -72.57641 1383.59195
90.0000 -77.73494 -71.28345 6.45149 3.06773 -70.42563 1483.79560
95.0000 -77.08690 -71.68117 5.40573 2.88760 -72.35309 1325.08861
100.0000 -81.38501 -75.62413 5.76088 2.73610 -73.97409 1152.75533
105.0000 -81.21268 -75.54773 5.66495 2.61161 -75.30615 1107.54521
110.0000 -78.84953 -74.41150 4.43803 2.63322 -75.07489 1103.07484
115.0000 -79.15092 -74.17474 4.97618 2.71126 -74.23988 1203.60321
120.0000 -79.49250 -74.10916 5.38333 2.80258 -73.26278 1259.89472
125.0000 -79.71270 -74.41816 5.29454 2.66131 -74.77428 1134.05891
130.0000 -79.91238 -73.98757 5.92481 2.71826 -74.16499 1211.43049
135.0000 -79.58396 -74.57626 5.00770 2.71439 -74.20636 1182.20790
140.0000 -78.98348 -73.96043 5.02304 2.78526 -73.44801 1267.50135
145.0000 -80.12840 -75.36184 4.76656 2.62140 -75.20131 1109.57718
150.0000 -78.95901 -72.96925 5.98976 2.60937 -75.33002 1110.23873
155.0000 -79.86094 -73.77355 6.08739 2.77899 -73.51513 1253.28325
160.0000 -80.40275 -73.92387 6.47888 2.81405 -73.13999 1274.48138
165.0000 -79.79312 -74.35292 5.44019 2.70247 -74.33396 1195.65537
170.0000 -81.02120 -74.53581 6.48539 2.66794 -74.70340 1158.26440
175.0000 -80.41872 -74.32483 6.09389 2.70729 -74.28234 1131.93991
180.0000 -80.30393 -76.40755 3.89638 2.59444 -75.48977 1061.65779
185.0000 -79.55759 -75.36189 4.19570 2.60751 -75.34996 1103.94567
190.0000 -80.13766 -74.91343 5.22424 2.61047 -75.31835 1085.59046
195.0000 -79.53967 -75.33820 4.20148 2.64189 -74.98207 1133.69511
200.0000 -80.25790 -74.26919 5.98871 2.74563 -73.87215 1230.04181
205.0000 -79.32100 -75.22078 4.10022 2.66163 -74.77091 1130.01390
210.0000 -77.88076 -72.82442 5.05635 2.79335 -73.36152 1271.58426
215.0000 -78.09175 -71.39613 6.69562 2.86936 -72.54818 1359.81357
220.0000 -79.19305 -73.16427 6.02879 2.83803 -72.88348 1333.26505
225.0000 -78.01778 -71.99212 6.02566 2.86573 -72.58702 1310.76373
230.0000 -79.67965 -73.46163 6.21802 2.83143 -72.95405 1339.97089
235.0000 -79.38784 -74.43335 4.95449 2.73455 -73.99070 1206.41794
240.0000 -80.13759 -74.02864 6.10894 2.71296 -74.22170 1175.72937
245.0000 -79.17321 -73.75687 5.41634 2.75835 -73.73598 1190.33254
250.0000 -79.96127 -73.48891 6.47236 2.85822 -72.66736 1326.85392
FREEZING PROCESS: loop number 2 T-loop= 1191.0000000000000
main_MD> interactions number 2 at Temperature= 1191.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.14779 0.00035 -4.08175
force_rgl> df(natom) 3.49721 1.77458 -1.70716
255.0000 -79.48098 -73.86100 5.61998 2.78518 -73.44897 1226.22313
260.0000 -80.28868 -75.06686 5.22182 2.64545 -74.94398 1141.47213
265.0000 -80.41668 -75.48336 4.93332 2.65826 -74.80693 1141.50669
270.0000 -80.16637 -75.47794 4.68843 2.63718 -75.03248 1155.68340
275.0000 -77.05973 -72.65522 4.40451 2.75004 -73.82496 1265.30561
280.0000 -79.99592 -74.87515 5.12077 2.70766 -74.27839 1142.53877
285.0000 -79.90513 -74.70326 5.20187 2.65655 -74.82521 1126.30620
290.0000 -79.44151 -75.11964 4.32187 2.62775 -75.13343 1108.79888
295.0000 -80.01405 -73.29009 6.72395 2.73498 -73.98610 1229.26858
300.0000 -77.71007 -72.37650 5.33357 2.75295 -73.79377 1227.68962
305.0000 -79.38220 -73.53179 5.85041 2.80998 -73.18358 1195.20973
310.0000 -80.06234 -74.17107 5.89127 2.81961 -73.08053 1298.16254
315.0000 -79.75648 -75.61280 4.14368 2.68250 -74.54762 1171.73372
320.0000 -80.08719 -73.00470 7.08248 2.69966 -74.36402 1175.10640
325.0000 -77.81631 -72.58475 5.23156 2.85204 -72.73357 1300.08356
330.0000 -80.08796 -75.66101 4.42695 2.71672 -74.18146 1210.51856
335.0000 -80.18711 -75.38882 4.79830 2.66063 -74.78156 1149.98230
340.0000 -80.49334 -76.74909 3.74425 2.56627 -75.79126 1071.56277
345.0000 -79.74170 -75.81750 3.92421 2.51615 -76.32751 1037.54886
350.0000 -78.59178 -73.06113 5.53065 2.61592 -75.25996 1071.49589
355.0000 -77.90594 -72.28033 5.62562 2.87123 -72.52819 1329.00088
360.0000 -77.12383 -71.76615 5.35768 3.00536 -71.09305 1428.91352
365.0000 -79.56609 -74.44809 5.11800 2.75626 -73.75840 1185.99314
370.0000 -79.73254 -75.67541 4.05713 2.70584 -74.29784 1198.74691
375.0000 -79.11181 -73.19858 5.91323 2.63365 -75.07031 1149.44460
380.0000 -77.18138 -72.40889 4.77248 2.90353 -72.18262 1322.77232
385.0000 -78.79728 -73.07378 5.72350 2.88299 -72.40233 1282.44123
390.0000 -79.10539 -74.80593 4.29947 2.77500 -73.55781 1225.37175
395.0000 -77.91606 -72.45517 5.46089 2.83156 -72.95270 1297.90833
400.0000 -77.96270 -71.99840 5.96430 2.89705 -72.25189 1314.26524
405.0000 -79.06738 -74.29217 4.77521 2.87106 -72.53002 1327.54963
410.0000 -79.11772 -73.14757 5.97015 2.79771 -73.31490 1205.82227
415.0000 -78.75789 -73.11312 5.64477 2.75867 -73.73254 1233.85007
420.0000 -79.89980 -73.11375 6.78605 2.74630 -73.86491 1207.65299
425.0000 -78.53611 -74.02597 4.51014 2.85473 -72.70476 1290.37291
430.0000 -81.12196 -75.13500 5.98696 2.70406 -74.31687 1153.14162
435.0000 -79.61658 -75.45663 4.15995 2.67754 -74.60068 1170.63166
440.0000 -80.68446 -75.84674 4.83772 2.66306 -74.75559 1156.61623
445.0000 -78.99153 -72.34105 6.65047 2.70120 -74.34754 1209.87806
450.0000 -78.40920 -73.36468 5.04452 2.81916 -73.08536 1215.76990
455.0000 -80.38410 -72.89236 7.49174 2.75990 -73.71942 1201.38917
460.0000 -79.80113 -75.24283 4.55830 2.72295 -74.11478 1208.08317
465.0000 -78.06729 -73.31098 4.75631 2.71369 -74.21389 1223.58951
470.0000 -78.27435 -72.30429 5.97006 2.75215 -73.80237 1251.13129
475.0000 -78.38564 -73.17851 5.20713 2.85786 -72.67125 1247.41395
480.0000 -79.49088 -74.09489 5.39599 2.80040 -73.28602 1263.59912
485.0000 -79.65271 -74.26623 5.38648 2.76272 -73.68925 1145.14288
490.0000 -80.10042 -75.13819 4.96223 2.70884 -74.26578 1139.76809
495.0000 -80.14882 -75.50471 4.64411 2.58053 -75.63864 1080.60653
500.0000 -79.03603 -73.38344 5.65259 2.64664 -74.93129 1129.34138
FREEZING PROCESS: loop number 3 T-loop= 1166.0000000000000
main_MD> interactions number 3 at Temperature= 1166.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18779 -0.31779 3.25522
force_rgl> df(natom) -0.48521 -4.86054 0.36693
505.0000 -80.03815 -73.25703 6.78111 2.85648 -72.68607 1323.86102
510.0000 -80.83718 -76.02921 4.80798 2.64154 -74.98590 1145.36701
515.0000 -80.34750 -74.97665 5.37085 2.61657 -75.25308 1123.37448
520.0000 -80.66709 -75.74995 4.91714 2.59788 -75.45300 1062.10723
525.0000 -81.99504 -77.52443 4.47061 2.46955 -76.82610 988.13516
530.0000 -79.57659 -75.04207 4.53452 2.54309 -76.03922 1051.42644
535.0000 -80.93613 -75.76935 5.16678 2.60743 -75.35078 1096.63701
540.0000 -79.45272 -73.58415 5.86857 2.71601 -74.18902 1184.89471
545.0000 -79.15189 -73.91312 5.23877 2.73376 -73.99915 1166.92604
550.0000 -79.75409 -73.66213 6.09196 2.72779 -74.06301 1207.17421
555.0000 -79.86160 -75.04876 4.81283 2.64444 -74.95487 1147.29811
560.0000 -80.30695 -75.29042 5.01652 2.56515 -75.80325 1077.49289
565.0000 -81.13273 -75.03037 6.10236 2.61432 -75.27716 1134.84393
570.0000 -79.87717 -74.51921 5.35796 2.63833 -75.02020 1092.26815
575.0000 -79.13868 -72.82236 6.31631 2.78831 -73.41546 1271.99799
580.0000 -78.23747 -72.63816 5.59931 2.84566 -72.80175 1302.07374
585.0000 -78.19442 -72.32581 5.86860 2.88784 -72.35045 1337.31766
590.0000 -78.99168 -73.23456 5.75712 2.72862 -74.05410 1182.65992
595.0000 -78.04821 -71.80897 6.23924 2.88819 -72.34673 1344.99821
600.0000 -79.54283 -73.56339 5.97943 2.82189 -73.05615 1243.12398
605.0000 -80.44699 -75.26261 5.18438 2.65362 -74.85662 1121.95074
610.0000 -79.59627 -73.93914 5.65713 2.62858 -75.12457 1145.68872
615.0000 -80.19624 -76.17380 4.02244 2.61480 -75.27198 1120.40940
620.0000 -80.89647 -76.54449 4.35198 2.54405 -76.02900 997.83983
625.0000 -79.78361 -75.27749 4.50612 2.64849 -74.91152 1150.42767
630.0000 -81.08707 -76.07872 5.00836 2.57871 -75.65815 1094.05182
635.0000 -79.72196 -75.15396 4.56800 2.61130 -75.30939 1119.39567
640.0000 -78.86580 -73.37799 5.48782 2.73648 -73.96996 1210.03358
645.0000 -79.43169 -73.57630 5.85539 2.76105 -73.70709 1185.09821
650.0000 -79.98628 -76.11953 3.86675 2.61270 -75.29444 1101.97170
655.0000 -78.12154 -73.95830 4.16324 2.68215 -74.55137 1165.80041
660.0000 -80.39359 -73.96370 6.42989 2.72622 -74.07976 1211.66095
665.0000 -80.20122 -74.63628 5.56494 2.65797 -74.81001 1106.12737
670.0000 -79.67894 -74.69131 4.98763 2.72093 -74.13637 1183.50633
675.0000 -80.34160 -75.10826 5.23335 2.59555 -75.47795 1087.61385
680.0000 -80.11232 -75.29252 4.81981 2.69510 -74.41272 1227.72486
685.0000 -79.27030 -73.22052 6.04978 2.69173 -74.44884 1172.96989
690.0000 -79.38526 -73.78374 5.60152 2.77826 -73.52292 1236.40209
695.0000 -80.16252 -75.83179 4.33074 2.66383 -74.74738 1166.65156
700.0000 -78.99303 -74.50124 4.49179 2.61786 -75.23925 1168.72680
705.0000 -79.47777 -73.87733 5.60043 2.64113 -74.99023 1109.82605
710.0000 -77.54699 -72.03535 5.51164 2.87759 -72.46014 1264.52772
715.0000 -77.07679 -71.31531 5.76148 2.94401 -71.74945 1331.57140
720.0000 -79.44880 -74.10885 5.33995 2.86695 -72.57395 1311.19515
725.0000 -79.84852 -75.51392 4.33459 2.68070 -74.56682 1095.72327
730.0000 -80.27632 -74.26880 6.00752 2.72185 -74.12657 1207.72498
735.0000 -80.27270 -74.75441 5.51828 2.63789 -75.02493 1172.07175
740.0000 -79.20029 -74.37196 4.82832 2.66534 -74.73115 1200.10236
745.0000 -79.06996 -73.96084 5.10912 2.80875 -73.19671 1252.43767
750.0000 -79.75953 -73.80619 5.95334 2.75897 -73.72940 1246.09764
FREEZING PROCESS: loop number 4 T-loop= 1141.0000000000000
main_MD> interactions number 4 at Temperature= 1141.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65150 -2.34945 -1.43841
force_rgl> df(natom) 0.35182 0.85279 -1.30541
755.0000 -79.81170 -75.53335 4.27834 2.65023 -74.89289 1082.79357
760.0000 -81.21886 -75.08435 6.13451 2.60943 -75.32938 1101.36302
765.0000 -79.87449 -74.56470 5.30979 2.70634 -74.29246 1126.80059
770.0000 -79.39738 -74.84945 4.54793 2.70632 -74.29267 1160.14000
775.0000 -79.42863 -73.65094 5.77769 2.74134 -73.91802 1212.19603
780.0000 -79.06341 -74.41786 4.64556 2.72580 -74.08431 1221.84829
785.0000 -78.00752 -72.05540 5.95212 2.78318 -73.47030 1271.60185
790.0000 -78.17962 -72.86615 5.31348 2.86793 -72.56352 1323.44588
795.0000 -79.42220 -72.66959 6.75261 2.85796 -72.67019 1330.45339
800.0000 -79.41630 -72.97114 6.44515 2.84306 -72.82964 1309.80549
805.0000 -80.78114 -76.65069 4.13046 2.63907 -75.01224 1113.78850
810.0000 -80.70114 -75.45977 5.24137 2.54335 -76.03644 1046.60575
815.0000 -79.80066 -74.48021 5.32045 2.60124 -75.41704 1083.44031
820.0000 -78.42870 -72.65661 5.77209 2.73034 -74.03567 1204.23371
825.0000 -80.70486 -75.85467 4.85019 2.71716 -74.17676 1163.91562
830.0000 -81.25197 -74.58774 6.66423 2.57276 -75.72179 1040.20281
835.0000 -79.58110 -74.72637 4.85472 2.65174 -74.87674 1155.30213
840.0000 -79.82208 -75.19570 4.62638 2.70017 -74.35852 1186.15263
845.0000 -80.27705 -75.61286 4.66419 2.58933 -75.54451 1066.70646
850.0000 -80.50754 -75.76575 4.74179 2.64265 -74.97398 1096.73399
855.0000 -80.57189 -76.24914 4.32275 2.51558 -76.33363 1042.39844
860.0000 -78.91579 -73.41605 5.49973 2.67630 -74.61393 1187.05317
865.0000 -78.71137 -73.21523 5.49614 2.83322 -72.93494 1297.67380
870.0000 -79.02833 -74.16543 4.86290 2.76744 -73.63877 1221.88592
875.0000 -80.94579 -76.94366 4.00213 2.65488 -74.84309 1108.43447
880.0000 -78.88929 -73.73497 5.15432 2.57193 -75.73062 1016.08692
885.0000 -77.60287 -72.31181 5.29106 2.84332 -72.82678 1341.49004
890.0000 -79.82805 -74.33839 5.48966 2.79493 -73.34465 1227.79669
895.0000 -79.63764 -74.04887 5.58877 2.74661 -73.86159 1261.51860
900.0000 -80.70772 -74.58509 6.12263 2.67594 -74.61775 1114.46695
905.0000 -79.39414 -74.99101 4.40312 2.58080 -75.63580 1064.28290
910.0000 -80.03798 -75.18885 4.84913 2.62047 -75.21132 1089.71648
915.0000 -78.53196 -73.08695 5.44501 2.65866 -74.80269 1115.25286
920.0000 -79.38961 -75.10934 4.28027 2.79346 -73.36035 1298.88721
925.0000 -79.27540 -75.17909 4.09631 2.58345 -75.60745 1021.66886
930.0000 -81.06396 -76.65249 4.41146 2.52043 -76.28168 1055.54699
935.0000 -80.05994 -74.81452 5.24542 2.56518 -75.80295 1052.57788
940.0000 -80.58143 -75.12336 5.45807 2.65960 -74.79257 1109.34575
945.0000 -80.63764 -76.16417 4.47346 2.59556 -75.47780 1133.23408
950.0000 -78.70583 -74.20421 4.50162 2.64209 -74.97997 1100.57741
955.0000 -79.05082 -75.47492 3.57590 2.65758 -74.81419 1120.21266
960.0000 -80.31743 -76.16798 4.14945 2.60122 -75.41723 1046.35125
965.0000 -79.68695 -73.62824 6.05871 2.72758 -74.06526 1245.90091
970.0000 -77.41208 -71.52804 5.88403 2.90247 -72.19395 1384.79447
975.0000 -78.47625 -72.65963 5.81662 2.90468 -72.17030 1358.17625
980.0000 -79.66081 -73.67566 5.98515 2.81113 -73.17124 1287.72158
985.0000 -78.29100 -72.69808 5.59292 2.87151 -72.52519 1332.68866
990.0000 -79.49917 -74.59045 4.90872 2.77895 -73.51563 1232.32902
995.0000 -80.87038 -75.60333 5.26705 2.58005 -75.64379 1111.02390
1000.0000 -79.79484 -74.99076 4.80409 2.66437 -74.74161 1148.13178
FREEZING PROCESS: loop number 5 T-loop= 1116.0000000000000
main_MD> interactions number 5 at Temperature= 1116.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61400 1.22632 1.85340
force_rgl> df(natom) -2.81351 0.42116 -0.49525
1005.0000 -79.93773 -75.01805 4.91968 2.69492 -74.41470 1216.18349
1010.0000 -79.74406 -73.46136 6.28270 2.68716 -74.49770 1182.51122
1015.0000 -77.68359 -73.69305 3.99054 2.82241 -73.05060 1196.65683
1020.0000 -80.24259 -74.16027 6.08232 2.75666 -73.75406 1151.67789
1025.0000 -80.24876 -73.70140 6.54737 2.73993 -73.93306 1205.61205
1030.0000 -80.32320 -74.53207 5.79114 2.72411 -74.10240 1245.86449
1035.0000 -81.04989 -77.36015 3.68973 2.60936 -75.33022 1040.94246
1040.0000 -82.07146 -77.16802 4.90343 2.44716 -77.06569 977.04980
1045.0000 -79.26439 -74.72504 4.53936 2.53173 -76.16078 1040.95776
1050.0000 -80.61868 -73.99265 6.62604 2.62428 -75.17058 1109.18903
1055.0000 -80.55454 -75.72157 4.83298 2.64812 -74.91546 1157.39002
1060.0000 -79.65825 -75.19923 4.45903 2.64579 -74.94036 1113.62855
1065.0000 -80.74435 -75.56539 5.17897 2.57149 -75.73537 1015.29988
1070.0000 -81.51860 -75.06256 6.45605 2.67364 -74.64241 1142.08712
1075.0000 -80.30863 -75.25572 5.05292 2.61602 -75.25892 1084.66915
1080.0000 -80.35710 -74.56788 5.78922 2.64310 -74.96917 1141.81324
1085.0000 -77.97685 -73.02998 4.94687 2.73198 -74.01813 1219.21661
1090.0000 -80.33121 -75.45796 4.87325 2.67680 -74.60862 1150.42818
1095.0000 -80.78757 -76.43780 4.34977 2.52062 -76.27967 1037.66855
1100.0000 -79.49762 -74.91831 4.57930 2.57174 -75.73271 1054.19859
1105.0000 -80.51406 -75.60958 4.90448 2.66017 -74.78653 1140.82903
1110.0000 -82.38192 -77.19283 5.18909 2.50571 -76.43924 1003.15286
1115.0000 -81.10438 -76.69372 4.41067 2.49964 -76.50412 1038.84177
1120.0000 -79.79065 -75.22825 4.56240 2.50899 -76.40414 973.55141
1125.0000 -79.27803 -74.62219 4.65585 2.60987 -75.32474 1115.26909
1130.0000 -79.97283 -74.88817 5.08466 2.65495 -74.84234 1167.14042
1135.0000 -78.66404 -72.44672 6.21732 2.76655 -73.64831 1133.44601
1140.0000 -79.50805 -74.32471 5.18334 2.87102 -72.53042 1274.91221
1145.0000 -80.09728 -75.33924 4.75803 2.63004 -75.10891 1114.43202
1150.0000 -81.15347 -76.03690 5.11657 2.65834 -74.80612 1157.61307
1155.0000 -79.63943 -74.45244 5.18698 2.59985 -75.43191 1076.15536
1160.0000 -80.15205 -74.23020 5.92184 2.75967 -73.72187 1182.22892
1165.0000 -80.33424 -74.61039 5.72385 2.69683 -74.39420 1171.22484
1170.0000 -79.77341 -73.04595 6.72745 2.70908 -74.26323 1161.05181
1175.0000 -80.81019 -76.48443 4.32575 2.61286 -75.29271 1084.09462
1180.0000 -81.22189 -76.27329 4.94860 2.52653 -76.21644 987.52802
1185.0000 -79.09136 -74.25783 4.83353 2.67832 -74.59235 1111.16405
1190.0000 -81.06494 -74.77361 6.29133 2.65361 -74.85668 1134.44657
1195.0000 -81.01089 -76.45277 4.55812 2.51036 -76.38945 1035.21402
1200.0000 -80.77173 -75.18921 5.58252 2.56866 -75.76562 1031.53392
1205.0000 -79.58202 -74.74102 4.84099 2.61195 -75.30247 1091.96625
1210.0000 -80.73535 -75.88110 4.85425 2.62220 -75.19275 1121.93958
1215.0000 -80.39644 -75.86289 4.53355 2.61271 -75.29428 1091.64511
1220.0000 -79.90622 -75.66057 4.24565 2.60818 -75.34278 1075.73747
1225.0000 -78.68758 -74.15965 4.52794 2.64185 -74.98249 1129.43734
1230.0000 -79.98914 -74.65744 5.33169 2.72821 -74.05855 1187.56620
1235.0000 -79.31776 -73.56433 5.75343 2.69274 -74.43806 1190.03605
1240.0000 -79.47663 -74.17575 5.30087 2.76565 -73.65790 1247.69000
1245.0000 -80.92010 -76.55770 4.36241 2.51856 -76.30177 1018.30759
1250.0000 -79.70318 -74.62447 5.07871 2.59294 -75.50584 1067.88333
FREEZING PROCESS: loop number 6 T-loop= 1091.0000000000000
main_MD> interactions number 6 at Temperature= 1091.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71439 -1.17007 3.27154
force_rgl> df(natom) -0.10292 0.69492 2.75046
1255.0000 -79.66445 -74.58791 5.07653 2.62672 -75.14439 1124.80527
1260.0000 -79.09108 -73.83168 5.25940 2.65201 -74.87385 1148.07001
1265.0000 -79.66508 -74.34949 5.31559 2.68881 -74.48011 1191.75274
1270.0000 -80.27526 -75.60335 4.67190 2.62571 -75.15519 1131.97505
1275.0000 -80.89407 -76.23024 4.66384 2.53539 -76.12169 1000.37116
1280.0000 -81.39306 -75.70737 5.68569 2.53940 -76.07869 1068.76359
1285.0000 -80.74766 -76.53239 4.21528 2.54312 -76.03897 1015.12434
1290.0000 -80.14015 -75.10110 5.03905 2.60379 -75.38975 1127.08180
1295.0000 -81.14278 -76.38232 4.76046 2.57176 -75.73244 1052.69785
1300.0000 -79.60317 -75.02755 4.57562 2.58382 -75.60342 1062.53291
1305.0000 -78.62214 -74.58847 4.03367 2.54745 -75.99256 1035.30932
1310.0000 -79.98278 -74.40339 5.57940 2.62609 -75.15113 1098.11316
1315.0000 -80.44488 -75.05495 5.38993 2.71786 -74.16923 1141.91941
1320.0000 -79.79152 -76.33823 3.45329 2.54389 -76.03068 1062.71855
1325.0000 -81.09919 -75.73129 5.36790 2.52699 -76.21155 1065.49322
1330.0000 -81.37650 -76.94859 4.42791 2.59899 -75.44114 1108.04535
1335.0000 -81.92895 -77.27935 4.64959 2.50483 -76.44864 1008.92057
1340.0000 -79.30066 -75.65297 3.64769 2.54535 -76.01513 1072.37813
1345.0000 -79.92422 -74.45123 5.47299 2.58844 -75.55402 1080.43315
1350.0000 -81.22756 -75.88158 5.34598 2.59470 -75.48704 1104.94516
1355.0000 -81.61304 -75.91262 5.70041 2.53107 -76.16783 1037.88568
1360.0000 -80.70658 -75.94648 4.76010 2.61312 -75.28991 1085.91865
1365.0000 -81.90223 -76.59193 5.31030 2.56126 -75.84487 1053.94222
1370.0000 -81.14499 -75.55864 5.58635 2.60413 -75.38612 1112.80585
1375.0000 -79.74934 -73.94847 5.80087 2.67825 -74.59306 1146.07911
1380.0000 -79.00135 -73.68109 5.32026 2.78097 -73.49394 1273.07368
1385.0000 -80.84839 -76.21497 4.63342 2.66461 -74.73897 1111.89561
1390.0000 -81.49048 -77.08128 4.40921 2.52815 -76.19915 1022.86054
1395.0000 -81.33773 -76.64710 4.69063 2.44777 -77.05912 957.22563
1400.0000 -81.10243 -75.32918 5.77325 2.52660 -76.21564 1058.59871
1405.0000 -79.93543 -74.44209 5.49334 2.58696 -75.56988 1108.39053
1410.0000 -80.09235 -76.50649 3.58586 2.58527 -75.58798 1058.96033
1415.0000 -82.64811 -77.86980 4.77831 2.44851 -77.05123 951.53366
1420.0000 -81.37436 -78.12795 3.24641 2.34864 -78.11982 895.22910
1425.0000 -81.38245 -76.42305 4.95940 2.46688 -76.85470 1000.86882
1430.0000 -79.45452 -74.14088 5.31364 2.57378 -75.71089 1030.75086
1435.0000 -80.56807 -75.52624 5.04183 2.65565 -74.83485 1093.50031
1440.0000 -79.79595 -74.56618 5.22977 2.66516 -74.73311 1140.60587
1445.0000 -80.26727 -76.23570 4.03157 2.58863 -75.55201 1054.94085
1450.0000 -80.19466 -76.13932 4.05534 2.53596 -76.11556 1027.65824
1455.0000 -79.62457 -74.85094 4.77363 2.62708 -75.14058 1146.24541
1460.0000 -79.55696 -74.07278 5.48418 2.68388 -74.53280 1157.02132
1465.0000 -79.01018 -74.08726 4.92293 2.71079 -74.24486 1175.26974
1470.0000 -79.27831 -74.89261 4.38570 2.71214 -74.23044 1207.58625
1475.0000 -78.95664 -73.38806 5.56857 2.71047 -74.24829 1250.34844
1480.0000 -77.74592 -71.11601 6.62992 2.93028 -71.89640 1362.96292
1485.0000 -79.49659 -74.11493 5.38166 2.83697 -72.89481 1313.44664
1490.0000 -79.84186 -73.73181 6.11005 2.68464 -74.52465 1139.33207
1495.0000 -80.89369 -76.04576 4.84792 2.62204 -75.19454 1095.22137
1500.0000 -81.36026 -77.13198 4.22828 2.50582 -76.43801 1037.73066
FREEZING PROCESS: loop number 7 T-loop= 1066.0000000000000
main_MD> interactions number 7 at Temperature= 1066.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74734 -0.29593 -1.36470
force_rgl> df(natom) 0.11079 0.61487 -1.72743
1505.0000 -81.51918 -76.95344 4.56574 2.47595 -76.75762 974.15149
1510.0000 -79.79249 -76.35292 3.43957 2.51157 -76.37646 1029.73677
1515.0000 -80.00688 -74.81820 5.18868 2.61517 -75.26805 1051.86410
1520.0000 -79.40009 -74.87396 4.52613 2.68610 -74.50911 1119.15096
1525.0000 -80.13780 -76.10452 4.03328 2.58180 -75.62502 1073.92034
1530.0000 -79.62797 -74.92498 4.70299 2.62666 -75.14507 1090.46363
1535.0000 -80.70135 -75.80730 4.89405 2.56336 -75.82234 1040.09510
1540.0000 -79.81540 -75.46173 4.35368 2.58700 -75.56941 1078.96669
1545.0000 -79.76749 -75.68167 4.08582 2.59686 -75.46393 1070.23657
1550.0000 -81.27579 -76.80731 4.46848 2.55728 -75.88742 1042.28228
1555.0000 -81.34565 -76.02975 5.31590 2.59890 -75.44212 1080.68095
1560.0000 -80.18431 -75.42955 4.75476 2.58466 -75.59449 1101.65985
1565.0000 -82.14339 -76.90862 5.23477 2.46768 -76.84610 983.05722
1570.0000 -81.03444 -76.22637 4.80806 2.44784 -77.05844 939.50706
1575.0000 -79.85842 -74.97879 4.87962 2.55058 -75.95915 1046.30272
1580.0000 -79.58147 -73.42860 6.15288 2.71401 -74.21041 1180.09477
1585.0000 -81.31524 -76.24438 5.07086 2.65044 -74.89058 1145.24941
1590.0000 -80.82761 -75.73054 5.09707 2.53916 -76.08125 1042.50339
1595.0000 -80.20013 -75.23024 4.96989 2.59208 -75.51507 1151.63019
1600.0000 -81.16538 -76.09160 5.07378 2.57173 -75.73279 1082.00998
1605.0000 -80.66366 -75.95215 4.71151 2.53844 -76.08901 1018.82620
1610.0000 -79.58842 -73.61810 5.97032 2.60812 -75.34341 1118.79128
1615.0000 -80.50124 -75.56667 4.93457 2.67914 -74.58349 1168.39056
1620.0000 -79.70025 -75.62586 4.07438 2.56011 -75.85719 1032.67496
1625.0000 -80.49873 -74.29178 6.20695 2.57248 -75.72475 1034.20827
1630.0000 -80.90909 -76.63840 4.27068 2.56598 -75.79428 1116.51969
1635.0000 -81.49045 -76.57708 4.91336 2.44330 -77.10701 937.92936
1640.0000 -81.05870 -75.77100 5.28770 2.51322 -76.35885 1020.55853
1645.0000 -80.29837 -76.15589 4.14248 2.57903 -75.65470 1040.63363
1650.0000 -79.68654 -75.25339 4.43314 2.54340 -76.03595 1050.17106
1655.0000 -79.68045 -74.58820 5.09226 2.65316 -74.86149 1110.02142
1660.0000 -80.30481 -75.16875 5.13606 2.59676 -75.46498 1141.35446
1665.0000 -80.86839 -76.50078 4.36761 2.57043 -75.74675 1068.69602
1670.0000 -79.87919 -73.50197 6.37722 2.56661 -75.78759 1106.18129
1675.0000 -78.85538 -75.01313 3.84225 2.65071 -74.88769 1176.52903
1680.0000 -79.57897 -75.32053 4.25844 2.62394 -75.17414 1123.79091
1685.0000 -79.05314 -74.23558 4.81756 2.61827 -75.23479 1069.69299
1690.0000 -79.34461 -73.68792 5.65669 2.71439 -74.20633 1156.24176
1695.0000 -80.26374 -75.54384 4.71990 2.69550 -74.40849 1156.51328
1700.0000 -80.50891 -75.65844 4.85047 2.58737 -75.56551 1043.90475
1705.0000 -80.59778 -76.05211 4.54567 2.59710 -75.46136 1052.10304
1710.0000 -80.10611 -75.20728 4.89882 2.62265 -75.18795 1098.21896
1715.0000 -80.60633 -76.32502 4.28131 2.59073 -75.52952 1054.32568
1720.0000 -80.46311 -76.61750 3.84561 2.51764 -76.31155 1016.62040
1725.0000 -81.25406 -76.91480 4.33926 2.49211 -76.58472 1020.97200
1730.0000 -81.47165 -76.09039 5.38126 2.50372 -76.46049 1008.54515
1735.0000 -80.77058 -76.27584 4.49473 2.54121 -76.05938 1048.01794
1740.0000 -81.05277 -76.25396 4.79881 2.49275 -76.57792 983.02872
1745.0000 -79.70847 -73.96875 5.73972 2.67427 -74.63569 1143.09903
1750.0000 -81.76123 -76.73735 5.02389 2.57847 -75.66064 1045.60010
FREEZING PROCESS: loop number 8 T-loop= 1041.0000000000000
main_MD> interactions number 8 at Temperature= 1041.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.31980 -3.40679 0.28588
force_rgl> df(natom) -1.04535 2.14234 3.91281
1755.0000 -79.74376 -75.76893 3.97483 2.55680 -75.89256 1036.21532
1760.0000 -80.22067 -73.54671 6.67397 2.62637 -75.14822 1068.23944
1765.0000 -80.35901 -75.37543 4.98358 2.67477 -74.63034 1144.54295
1770.0000 -79.49021 -73.85864 5.63157 2.60773 -75.34765 1158.53214
1775.0000 -79.57261 -74.28343 5.28918 2.72479 -74.09510 1141.34332
1780.0000 -80.40980 -74.41032 5.99948 2.67311 -74.64809 1135.07995
1785.0000 -79.78761 -74.25246 5.53515 2.70608 -74.29529 1240.08069
1790.0000 -81.08678 -75.97919 5.10758 2.57413 -75.70710 1073.83012
1795.0000 -81.53145 -76.83993 4.69152 2.49026 -76.60455 989.90951
1800.0000 -81.86008 -77.02603 4.83405 2.49912 -76.50970 980.68189
1805.0000 -81.68625 -78.09830 3.58795 2.41031 -77.46001 956.38258
1810.0000 -80.14176 -75.67893 4.46283 2.54932 -75.97259 1053.19667
1815.0000 -79.32580 -74.61516 4.71063 2.61101 -75.31253 1067.94873
1820.0000 -79.35192 -74.89791 4.45401 2.67710 -74.60540 1138.13046
1825.0000 -79.95231 -74.97016 4.98215 2.66958 -74.68586 1069.79004
1830.0000 -80.62196 -75.32631 5.29565 2.62447 -75.16851 1098.45329
1835.0000 -81.17702 -76.90589 4.27113 2.53637 -76.11111 1060.26597
1840.0000 -80.81839 -76.11125 4.70714 2.52862 -76.19411 1025.05158
1845.0000 -81.26728 -76.75262 4.51466 2.48283 -76.68398 1034.67120
1850.0000 -81.11793 -77.10492 4.01302 2.42926 -77.25718 967.59058
1855.0000 -80.89982 -76.91099 3.98883 2.44766 -77.06031 955.45665
1860.0000 -80.74851 -76.26578 4.48273 2.48715 -76.63785 925.41177
1865.0000 -81.50751 -75.70693 5.80058 2.54926 -75.97327 1055.20698
1870.0000 -80.94540 -76.45132 4.49408 2.51319 -76.35920 972.82008
1875.0000 -81.55699 -76.44568 5.11131 2.50887 -76.40543 1038.84815
1880.0000 -80.58563 -75.97702 4.60861 2.53112 -76.16732 1059.29148
1885.0000 -80.75043 -77.12281 3.62762 2.50463 -76.45072 1008.16627
1890.0000 -80.51547 -76.84927 3.66620 2.44318 -77.10832 1013.20312
1895.0000 -80.71580 -76.15017 4.56563 2.54346 -76.03525 1021.59604
1900.0000 -80.59275 -74.86603 5.72672 2.58211 -75.62176 1069.76907
1905.0000 -79.90089 -75.18921 4.71168 2.54724 -75.99487 1049.00817
1910.0000 -81.39593 -76.11305 5.28288 2.55579 -75.90338 1060.55292
1915.0000 -80.61041 -74.50632 6.10409 2.65654 -74.82530 1144.32090
1920.0000 -80.52586 -74.74388 5.78198 2.63851 -75.01827 1155.07706
1925.0000 -80.37948 -75.45818 4.92130 2.60579 -75.36838 1067.69267
1930.0000 -82.16330 -76.90568 5.25762 2.57575 -75.68980 1051.92092
1935.0000 -81.87652 -75.60518 6.27134 2.54242 -76.04637 1038.98227
1940.0000 -79.88737 -75.20197 4.68540 2.56743 -75.77885 1084.74418
1945.0000 -79.28968 -74.51072 4.77896 2.66423 -74.74306 1127.28927
1950.0000 -81.64133 -77.14447 4.49686 2.58952 -75.54244 1085.59921
1955.0000 -81.77726 -77.43224 4.34502 2.42682 -77.28337 933.51100
1960.0000 -82.65456 -78.66574 3.98881 2.30536 -78.58289 832.42431
1965.0000 -82.08821 -78.15096 3.93725 2.28569 -78.79344 848.99369
1970.0000 -79.86234 -74.65976 5.20258 2.55131 -75.95127 1041.11425
1975.0000 -80.12010 -75.60091 4.51918 2.59654 -75.46730 1069.99322
1980.0000 -80.75122 -75.18817 5.56305 2.60582 -75.36801 1136.39605
1985.0000 -78.99715 -74.06245 4.93470 2.73560 -73.97939 1196.11618
1990.0000 -81.07740 -75.90646 5.17094 2.64922 -74.90370 1129.53493
1995.0000 -81.24758 -75.23080 6.01678 2.55892 -75.86991 1074.98954
2000.0000 -80.63752 -75.25328 5.38424 2.64792 -74.91760 1171.40896
FREEZING PROCESS: loop number 9 T-loop= 1016.0000000000000
main_MD> interactions number 9 at Temperature= 1016.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.27424 2.70678 1.93914
force_rgl> df(natom) 1.00495 -0.63818 2.77474
2005.0000 -78.44060 -74.28872 4.15187 2.68862 -74.48207 1160.99132
2010.0000 -79.41024 -73.84353 5.56671 2.78164 -73.48680 1242.37368
2015.0000 -80.52153 -76.08421 4.43732 2.67541 -74.62349 1161.83673
2020.0000 -80.81657 -75.55899 5.25758 2.53526 -76.12303 1035.71001
2025.0000 -80.04015 -75.41517 4.62499 2.62196 -75.19538 1116.99166
2030.0000 -80.37122 -75.82647 4.54475 2.60078 -75.42194 1088.54446
2035.0000 -80.50789 -76.20792 4.29997 2.51708 -76.31752 986.53457
2040.0000 -81.88165 -76.89084 4.99081 2.50749 -76.42018 1002.63514
2045.0000 -81.97936 -78.26389 3.71547 2.40786 -77.48616 897.31713
2050.0000 -80.91426 -76.98802 3.92623 2.42235 -77.33114 902.41659
2055.0000 -81.53396 -76.95861 4.57535 2.50807 -76.41400 986.75494
2060.0000 -81.20689 -76.52435 4.68254 2.48858 -76.62248 952.93286
2065.0000 -81.96711 -77.77842 4.18869 2.49453 -76.55881 1015.03188
2070.0000 -82.07007 -77.73685 4.33322 2.38911 -77.68683 927.07218
2075.0000 -81.59318 -76.90603 4.68715 2.40095 -77.56010 876.60638
2080.0000 -79.58072 -76.01818 3.56254 2.49702 -76.53219 998.73641
2085.0000 -79.82234 -74.89350 4.92884 2.56327 -75.82329 1089.54733
2090.0000 -79.87010 -74.23224 5.63786 2.71222 -74.22959 1195.81209
2095.0000 -79.11913 -74.69780 4.42134 2.70423 -74.31508 1167.35008
2100.0000 -80.45775 -75.17639 5.28136 2.66455 -74.73961 1117.21488
2105.0000 -80.70902 -75.48983 5.21919 2.57002 -75.75112 1118.04316
2110.0000 -80.94722 -77.29180 3.65542 2.54045 -76.06750 1044.92879
2115.0000 -80.58661 -75.11732 5.46929 2.52061 -76.27976 1039.11907
2120.0000 -80.26665 -75.85848 4.40817 2.56923 -75.75960 1056.24500
2125.0000 -81.05185 -76.67747 4.37438 2.53106 -76.16800 980.72711
2130.0000 -82.18811 -77.84288 4.34523 2.40799 -77.48479 931.60723
2135.0000 -80.96727 -76.88321 4.08406 2.44347 -77.10513 973.09531
2140.0000 -81.66629 -75.89287 5.77342 2.53076 -76.17115 1020.16838
2145.0000 -80.34154 -75.13317 5.20837 2.52638 -76.21809 1032.22589
2150.0000 -82.44616 -77.67000 4.77616 2.52331 -76.25092 1047.15047
2155.0000 -82.37761 -78.42125 3.95636 2.39417 -77.63265 931.61825
2160.0000 -82.55569 -77.83442 4.72127 2.30498 -78.58700 840.35102
2165.0000 -81.70366 -77.44748 4.25618 2.41821 -77.37545 945.04301
2170.0000 -81.25373 -77.67959 3.57414 2.41051 -77.45780 981.38603
2175.0000 -82.54461 -78.74036 3.80425 2.32189 -78.40606 831.49359
2180.0000 -82.63363 -78.72089 3.91275 2.35334 -78.06951 899.85517
2185.0000 -82.38194 -78.69985 3.68208 2.31662 -78.46251 862.79716
2190.0000 -82.34416 -77.96089 4.38326 2.32026 -78.42355 915.08877
2195.0000 -82.54727 -78.99949 3.54778 2.28035 -78.85059 828.77898
2200.0000 -81.01545 -76.90233 4.11312 2.42733 -77.27788 971.07166
2205.0000 -81.67630 -77.45113 4.22517 2.46530 -76.87156 937.09197
2210.0000 -80.91289 -76.67843 4.23445 2.50932 -76.40061 998.49965
2215.0000 -81.06608 -76.19721 4.86887 2.46030 -76.92512 967.19766
2220.0000 -80.80625 -77.00837 3.79788 2.44743 -77.06281 960.78201
2225.0000 -81.08973 -75.91888 5.17085 2.49777 -76.52421 1055.66610
2230.0000 -81.07409 -77.72122 3.35287 2.45772 -76.95270 976.68829
2235.0000 -82.70810 -78.61225 4.09585 2.36205 -77.97633 875.09778
2240.0000 -81.92888 -77.32364 4.60525 2.29767 -78.66522 875.24937
2245.0000 -81.46430 -77.28421 4.18010 2.45202 -77.01373 977.60230
2250.0000 -81.32081 -77.51190 3.80891 2.42640 -77.28778 999.61693
FREEZING PROCESS: loop number 10 T-loop= 991.00000000000000
main_MD> interactions number 10 at Temperature= 991.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54414 1.41700 -0.22652
force_rgl> df(natom) -2.20707 -0.77386 -2.11117
2255.0000 -83.21375 -78.96968 4.24407 2.34171 -78.19402 876.28739
2260.0000 -82.24569 -78.17240 4.07329 2.33550 -78.26039 849.11838
2265.0000 -82.99697 -78.23866 4.75831 2.33763 -78.23764 859.09198
2270.0000 -81.89312 -77.36175 4.53137 2.44744 -77.06265 988.28096
2275.0000 -79.68753 -74.74502 4.94251 2.50545 -76.44198 1032.53734
2280.0000 -80.15723 -75.71669 4.44054 2.61301 -75.29113 1106.48546
2285.0000 -80.94277 -75.44886 5.49390 2.53953 -76.07736 1061.71407
2290.0000 -80.52798 -77.17099 3.35699 2.44758 -77.06125 959.88669
2295.0000 -80.98185 -75.12520 5.85665 2.48372 -76.67452 970.21521
2300.0000 -81.46539 -77.42695 4.03844 2.46946 -76.82707 1018.15142
2305.0000 -81.50694 -77.24189 4.26505 2.47544 -76.76314 1015.35471
2310.0000 -80.66839 -76.19702 4.47138 2.48196 -76.69333 971.62996
2315.0000 -80.44147 -76.39250 4.04897 2.49290 -76.57633 996.04213
2320.0000 -80.85147 -75.84946 5.00201 2.48446 -76.66663 968.24745
2325.0000 -81.23909 -76.79130 4.44779 2.49540 -76.54949 1013.27564
2330.0000 -81.37988 -76.72424 4.65564 2.44041 -77.13792 971.10409
2335.0000 -82.32934 -77.86565 4.46369 2.38628 -77.71715 922.82015
2340.0000 -81.48383 -77.77746 3.70636 2.42849 -77.26550 974.42810
2345.0000 -79.88060 -75.12710 4.75350 2.49298 -76.57541 979.81817
2350.0000 -80.65882 -77.13780 3.52103 2.44338 -77.10618 921.73499
2355.0000 -80.32244 -76.14875 4.17368 2.49263 -76.57921 950.28671
2360.0000 -81.70707 -76.79490 4.91217 2.53330 -76.14399 968.68054
2365.0000 -79.85209 -75.94720 3.90489 2.52397 -76.24379 1035.95157
2370.0000 -80.36000 -76.09636 4.26364 2.54916 -75.97426 1015.66876
2375.0000 -80.55593 -75.69307 4.86285 2.54477 -76.02133 1048.86577
2380.0000 -80.38865 -76.61311 3.77554 2.56468 -75.80822 1088.14949
2385.0000 -81.55162 -76.73794 4.81368 2.50802 -76.41455 966.86084
2390.0000 -80.36947 -75.98393 4.38554 2.51909 -76.29600 1025.11076
2395.0000 -82.49654 -77.02885 5.46770 2.52702 -76.21122 1030.38513
2400.0000 -81.48565 -77.13758 4.34807 2.42197 -77.33517 928.63100
2405.0000 -81.27456 -77.71076 3.56379 2.42521 -77.30051 911.70098
2410.0000 -82.10800 -77.27894 4.82906 2.43549 -77.19061 960.10823
2415.0000 -81.04919 -76.57889 4.47030 2.52837 -76.19678 1049.58420
2420.0000 -82.23181 -77.21804 5.01377 2.49002 -76.60710 1012.14632
2425.0000 -80.82974 -74.70704 6.12270 2.54824 -75.98411 1053.18667
2430.0000 -80.52103 -75.50843 5.01260 2.66273 -74.75917 1127.10316
2435.0000 -80.74346 -76.14718 4.59628 2.51585 -76.33067 985.10767
2440.0000 -82.11780 -77.89146 4.22634 2.45863 -76.94296 995.05380
2445.0000 -81.02557 -77.71075 3.31482 2.34163 -78.19482 880.56959
2450.0000 -82.16782 -77.95518 4.21264 2.43132 -77.23520 962.51768
2455.0000 -80.48292 -76.95208 3.53084 2.43409 -77.20553 938.55102
2460.0000 -80.74135 -76.45115 4.29021 2.50573 -76.43895 975.59843
2465.0000 -81.45348 -77.35179 4.10169 2.48614 -76.64860 950.61887
2470.0000 -80.40738 -76.51022 3.89716 2.52415 -76.24186 1037.37631
2475.0000 -82.79541 -78.32173 4.47368 2.41378 -77.42286 922.60435
2480.0000 -82.09595 -77.93863 4.15731 2.32233 -78.40139 873.68265
2485.0000 -82.49781 -78.20707 4.29074 2.38246 -77.75795 912.00832
2490.0000 -82.08786 -78.22623 3.86162 2.37134 -77.87694 874.84008
2495.0000 -81.28227 -77.07949 4.20279 2.42603 -77.29173 934.23243
2500.0000 -81.41686 -76.75589 4.66098 2.46774 -76.84548 998.47877
FREEZING PROCESS: loop number 11 T-loop= 966.00000000000000
main_MD> interactions number 11 at Temperature= 966.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93576 -0.46945 -3.09074
force_rgl> df(natom) -0.67744 -4.88392 -4.77687
2505.0000 -82.16188 -77.37459 4.78729 2.42901 -77.25990 949.03304
2510.0000 -81.81163 -78.53755 3.27409 2.42830 -77.26751 962.94429
2515.0000 -80.54172 -76.88424 3.65748 2.44542 -77.08426 1015.83705
2520.0000 -81.47996 -76.93788 4.54207 2.39920 -77.57891 927.74573
2525.0000 -80.84378 -76.27054 4.57324 2.46457 -76.87936 966.48236
2530.0000 -81.27737 -76.72085 4.55652 2.53264 -76.15103 976.48390
2535.0000 -82.42717 -77.32923 5.09794 2.39011 -77.67613 891.88962
2540.0000 -82.77568 -77.69248 5.08320 2.42415 -77.31189 917.16098
2545.0000 -80.35621 -76.16959 4.18661 2.42627 -77.28921 951.68943
2550.0000 -81.03727 -76.94184 4.09543 2.49839 -76.51751 997.22036
2555.0000 -82.05662 -78.55189 3.50473 2.37823 -77.80320 915.30837
2560.0000 -81.62387 -77.32324 4.30063 2.38780 -77.70079 933.85958
2565.0000 -82.20136 -77.22014 4.98121 2.48012 -76.71297 989.65411
2570.0000 -82.78332 -79.06339 3.71993 2.39412 -77.63321 950.44624
2575.0000 -81.30801 -77.49410 3.81392 2.31567 -78.47263 864.60112
2580.0000 -81.48711 -77.31331 4.17380 2.40352 -77.53259 956.79139
2585.0000 -79.77605 -76.11794 3.65811 2.44464 -77.09263 980.09842
2590.0000 -80.96716 -76.52533 4.44182 2.48888 -76.61932 967.44693
2595.0000 -81.67998 -77.44825 4.23174 2.37743 -77.81177 916.48706
2600.0000 -81.69968 -77.95660 3.74308 2.39880 -77.58318 905.63695
2605.0000 -80.95909 -76.57275 4.38634 2.45052 -77.02979 945.84939
2610.0000 -82.82819 -77.60657 5.22162 2.51811 -76.30658 1016.20371
2615.0000 -79.85824 -75.23587 4.62237 2.50534 -76.44314 1030.17362
2620.0000 -79.29176 -74.35031 4.94145 2.65740 -74.81614 1157.89340
2625.0000 -81.23730 -76.81918 4.41812 2.60521 -75.37453 1041.09218
2630.0000 -81.92342 -76.91972 5.00370 2.48731 -76.63610 956.38718
2635.0000 -80.88332 -76.65965 4.22367 2.45108 -77.02371 932.78095
2640.0000 -81.43304 -77.37684 4.05621 2.38901 -77.68794 918.19448
2645.0000 -81.74425 -76.94931 4.79494 2.46144 -76.91289 991.34640
2650.0000 -80.39217 -76.67269 3.71948 2.49333 -76.57167 1063.36343
2655.0000 -81.71992 -77.06609 4.65383 2.45749 -76.95513 969.06180
2660.0000 -81.38889 -76.24621 5.14268 2.48355 -76.67629 1021.53931
2665.0000 -82.17228 -77.93838 4.23390 2.46943 -76.82744 992.72685
2670.0000 -81.33216 -77.21223 4.11993 2.37818 -77.80382 915.12148
2675.0000 -80.82928 -76.77644 4.05284 2.49855 -76.51578 997.42799
2680.0000 -81.12008 -76.09440 5.02568 2.56925 -75.75930 1059.73341
2685.0000 -81.03656 -77.31817 3.71838 2.49153 -76.59092 953.54021
2690.0000 -81.05416 -76.23576 4.81840 2.53511 -76.12469 981.00229
2695.0000 -80.01332 -75.71962 4.29370 2.53801 -76.09364 1047.92685
2700.0000 -81.80312 -77.21733 4.58579 2.51868 -76.30047 1067.14632
2705.0000 -80.90667 -76.64520 4.26147 2.44211 -77.11969 962.13746
2710.0000 -81.48815 -76.75888 4.72927 2.45885 -76.94064 956.68076
2715.0000 -80.36953 -75.45788 4.91165 2.54852 -75.98120 1045.60471
2720.0000 -80.42343 -75.91595 4.50748 2.57258 -75.72369 1058.46284
2725.0000 -80.92847 -76.93954 3.98892 2.45282 -77.00515 995.90745
2730.0000 -80.86078 -77.13611 3.72467 2.45502 -76.98164 939.31954
2735.0000 -81.48301 -76.69122 4.79179 2.45156 -77.01861 920.70801
2740.0000 -81.95129 -78.38471 3.56658 2.42644 -77.28744 959.32908
2745.0000 -80.93777 -75.85798 5.07979 2.38710 -77.70834 891.40929
2750.0000 -81.01291 -75.78973 5.22318 2.54754 -75.99163 1037.50885
FREEZING PROCESS: loop number 12 T-loop= 941.00000000000000
main_MD> interactions number 12 at Temperature= 941.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.51252 -3.50190 2.09944
force_rgl> df(natom) 0.57517 2.86188 -1.20979
2755.0000 -81.71640 -76.14130 5.57511 2.53159 -76.16230 1001.51176
2760.0000 -80.63573 -77.28277 3.35296 2.42208 -77.33403 977.33356
2765.0000 -81.84498 -78.16298 3.68200 2.43043 -77.24473 921.28487
2770.0000 -81.82739 -77.26131 4.56608 2.39650 -77.60779 913.39039
2775.0000 -81.50004 -76.99215 4.50789 2.42016 -77.35456 928.20546
2780.0000 -82.43101 -78.55684 3.87417 2.39264 -77.64901 910.38230
2785.0000 -81.61113 -77.60447 4.00666 2.33990 -78.21333 852.32712
2790.0000 -82.74918 -77.85491 4.89428 2.35963 -78.00228 890.81432
2795.0000 -82.40746 -77.65849 4.74897 2.35066 -78.09819 938.90785
2800.0000 -81.94507 -78.60922 3.33585 2.32539 -78.36861 880.10215
2805.0000 -82.11695 -78.98332 3.13363 2.29672 -78.67544 853.84246
2810.0000 -81.26379 -77.68257 3.58121 2.31561 -78.47324 871.66103
2815.0000 -81.97057 -78.78927 3.18130 2.36728 -77.92042 874.03624
2820.0000 -82.75597 -78.54335 4.21262 2.27162 -78.94395 826.08158
2825.0000 -80.65394 -76.68779 3.96615 2.41522 -77.40744 973.15278
2830.0000 -82.11499 -76.36528 5.74971 2.48714 -76.63790 989.56861
2835.0000 -80.90827 -75.98585 4.92242 2.45616 -76.96937 980.86525
2840.0000 -81.23667 -76.82068 4.41599 2.46138 -76.91355 952.63631
2845.0000 -80.06459 -76.19554 3.86906 2.54820 -75.98460 1022.16896
2850.0000 -80.35384 -76.52400 3.82984 2.52083 -76.27742 1037.99453
2855.0000 -82.68642 -78.21916 4.46725 2.42504 -77.30242 921.30431
2860.0000 -82.14811 -78.69981 3.44830 2.21812 -79.51634 754.12094
2865.0000 -82.47839 -78.58432 3.89407 2.32264 -78.39805 853.43846
2870.0000 -80.79915 -76.17291 4.62623 2.41843 -77.37313 902.77082
2875.0000 -80.77985 -76.13802 4.64183 2.54528 -76.01577 1022.02630
2880.0000 -81.68634 -77.04717 4.63917 2.50753 -76.41973 1042.54513
2885.0000 -82.24843 -77.26829 4.98015 2.40395 -77.52804 950.67982
2890.0000 -82.38719 -77.19750 5.18969 2.47648 -76.75202 963.79304
2895.0000 -81.98424 -78.01087 3.97337 2.45568 -76.97448 965.31986
2900.0000 -82.37048 -77.85733 4.51315 2.32535 -78.36908 823.71267
2905.0000 -81.35851 -77.34377 4.01474 2.44455 -77.09358 1047.28894
2910.0000 -80.79111 -76.75783 4.03328 2.46025 -76.92565 948.51363
2915.0000 -81.87205 -77.80097 4.07108 2.38943 -77.68339 866.97549
2920.0000 -80.32594 -76.06618 4.25976 2.52878 -76.19236 1063.58733
2925.0000 -81.75286 -77.65152 4.10134 2.45504 -76.98133 952.59376
2930.0000 -81.17818 -77.35160 3.82657 2.40497 -77.51707 954.77655
2935.0000 -83.52770 -78.13280 5.39491 2.38616 -77.71841 937.32711
2940.0000 -81.78280 -78.38459 3.39822 2.37233 -77.86638 926.09072
2945.0000 -81.02677 -76.57652 4.45026 2.39746 -77.59746 920.39687
2950.0000 -81.94458 -76.52003 5.42455 2.53077 -76.17113 1020.48764
2955.0000 -80.70637 -76.42638 4.27999 2.49116 -76.59491 916.33283
2960.0000 -80.78419 -76.68404 4.10015 2.54938 -75.97195 1077.93669
2965.0000 -80.70997 -76.99859 3.71138 2.48421 -76.66922 1014.83904
2970.0000 -81.32804 -77.47016 3.85788 2.44867 -77.04957 935.74563
2975.0000 -82.67156 -78.09742 4.57414 2.39566 -77.61671 911.27877
2980.0000 -82.37540 -78.02215 4.35326 2.39682 -77.60435 922.40818
2985.0000 -81.29565 -77.49232 3.80332 2.35525 -78.04915 899.88126
2990.0000 -82.22287 -77.64917 4.57370 2.37888 -77.79626 895.51356
2995.0000 -80.25884 -76.19229 4.06655 2.36813 -77.91126 883.38984
3000.0000 -81.02749 -76.65372 4.37376 2.53076 -76.17124 1049.56032
FREEZING PROCESS: loop number 13 T-loop= 916.00000000000000
main_MD> interactions number 13 at Temperature= 916.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38480 -0.72257 1.68538
force_rgl> df(natom) 4.30872 4.40253 4.13587
3005.0000 -83.14771 -78.57803 4.56968 2.44007 -77.14151 963.02993
3010.0000 -81.83056 -77.86048 3.97007 2.32793 -78.34147 869.85271
3015.0000 -81.96477 -77.74304 4.22173 2.32741 -78.34697 868.80957
3020.0000 -82.43757 -79.16051 3.27706 2.31319 -78.49915 837.27020
3025.0000 -82.37025 -78.42769 3.94255 2.32421 -78.38119 840.09784
3030.0000 -81.15308 -77.25537 3.89772 2.44353 -77.10453 968.30266
3035.0000 -81.34106 -78.05455 3.28650 2.39128 -77.66358 926.73155
3040.0000 -81.83792 -77.56345 4.27447 2.32533 -78.36921 866.01612
3045.0000 -81.17762 -76.67919 4.49843 2.38456 -77.73556 940.70577
3050.0000 -81.49784 -77.63960 3.85824 2.42384 -77.31522 983.33160
3055.0000 -81.74313 -77.57369 4.16944 2.42157 -77.33947 938.54342
3060.0000 -81.50535 -78.46867 3.03668 2.30216 -78.61713 818.42590
3065.0000 -82.66731 -78.25416 4.41315 2.33215 -78.29626 929.74988
3070.0000 -81.54074 -77.54112 3.99962 2.43705 -77.17391 995.20031
3075.0000 -82.38907 -77.92695 4.46212 2.33469 -78.26910 913.85058
3080.0000 -82.52227 -78.82682 3.69545 2.34382 -78.17143 886.29915
3085.0000 -81.99026 -78.71311 3.27715 2.29229 -78.72276 849.15784
3090.0000 -82.43983 -78.51315 3.92668 2.32780 -78.34287 847.68409
3095.0000 -82.68162 -77.77530 4.90632 2.37190 -77.87095 924.73434
3100.0000 -82.54231 -78.79594 3.74637 2.32531 -78.36952 874.85982
3105.0000 -80.89871 -76.68280 4.21591 2.45954 -76.93320 1036.68357
3110.0000 -80.61151 -77.19543 3.41608 2.45293 -77.00400 985.75806
3115.0000 -80.34800 -76.23342 4.11457 2.47387 -76.77986 944.64692
3120.0000 -81.99064 -76.35160 5.63904 2.45219 -77.01186 965.17772
3125.0000 -81.93479 -77.25378 4.68102 2.44478 -77.09120 943.02158
3130.0000 -82.70294 -78.68754 4.01540 2.36455 -77.94963 890.56225
3135.0000 -82.96461 -78.44154 4.52307 2.34810 -78.12564 869.68922
3140.0000 -82.74188 -79.54656 3.19532 2.29674 -78.67516 888.67648
3145.0000 -82.18488 -77.27869 4.90619 2.36158 -77.98140 926.56104
3150.0000 -80.46530 -75.48803 4.97727 2.49298 -76.57538 1020.27992
3155.0000 -80.57669 -76.23162 4.34507 2.52083 -76.27743 1020.88488
3160.0000 -81.78206 -77.38657 4.39550 2.48336 -76.67841 994.86105
3165.0000 -83.01035 -79.55328 3.45707 2.33510 -78.26474 864.68726
3170.0000 -83.12667 -79.29800 3.82867 2.25669 -79.10373 813.43754
3175.0000 -82.32198 -77.76378 4.55820 2.30791 -78.55569 866.88368
3180.0000 -82.95800 -79.77355 3.18446 2.20508 -79.65597 763.82244
3185.0000 -82.48298 -78.70942 3.77356 2.28963 -78.75124 783.14082
3190.0000 -82.99028 -78.68271 4.30757 2.32594 -78.36273 866.84556
3195.0000 -81.92190 -78.12259 3.79931 2.30879 -78.54622 883.64787
3200.0000 -81.00948 -75.97169 5.03780 2.42968 -77.25273 948.04661
3205.0000 -81.01741 -76.60020 4.41721 2.55335 -75.92946 1031.71900
3210.0000 -81.21851 -76.98530 4.23321 2.49252 -76.58032 949.39246
3215.0000 -81.85958 -77.27165 4.58793 2.36002 -77.99812 911.90920
3220.0000 -82.07893 -77.10471 4.97423 2.49833 -76.51816 1017.34944
3225.0000 -82.41719 -77.07849 5.33870 2.46523 -76.87235 1005.27732
3230.0000 -81.76372 -77.79168 3.97205 2.41791 -77.37867 991.29016
3235.0000 -82.93686 -78.65523 4.28163 2.37221 -77.86761 878.21857
3240.0000 -81.07813 -77.08663 3.99151 2.44538 -77.08475 926.71311
3245.0000 -81.94097 -78.02232 3.91865 2.43839 -77.15949 928.41643
3250.0000 -82.10486 -77.98623 4.11863 2.36470 -77.94803 906.14953
FREEZING PROCESS: loop number 14 T-loop= 891.00000000000000
main_MD> interactions number 14 at Temperature= 891.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48655 -0.02904 1.74957
force_rgl> df(natom) 0.10233 -0.66674 0.25000
3255.0000 -80.99511 -76.91553 4.07957 2.39758 -77.59619 932.66277
3260.0000 -82.23706 -77.97788 4.25918 2.39927 -77.57808 932.38974
3265.0000 -82.33399 -77.74537 4.58862 2.32795 -78.34118 903.21158
3270.0000 -81.14036 -76.17929 4.96106 2.46725 -76.85078 953.27496
3275.0000 -79.98115 -76.07292 3.90822 2.51220 -76.36982 1002.08609
3280.0000 -80.82760 -76.93828 3.88931 2.45477 -76.98427 938.53586
3285.0000 -81.98347 -77.19986 4.78361 2.40943 -77.46943 888.76771
3290.0000 -82.30159 -77.85995 4.44164 2.39558 -77.61759 879.61968
3295.0000 -82.56972 -78.93486 3.63485 2.32905 -78.32944 851.22620
3300.0000 -82.84473 -78.42612 4.41861 2.32650 -78.35673 861.52503
3305.0000 -82.45215 -78.83001 3.62214 2.23613 -79.32365 815.66071
3310.0000 -80.99782 -76.69205 4.30577 2.35580 -78.04324 918.12726
3315.0000 -80.93189 -78.16394 2.76794 2.40984 -77.46501 912.84585
3320.0000 -81.50764 -77.21930 4.28834 2.37166 -77.87354 836.03495
3325.0000 -80.12079 -75.98102 4.13976 2.47723 -76.74394 979.80968
3330.0000 -80.15451 -75.86058 4.29393 2.52700 -76.21147 1013.71805
3335.0000 -82.13960 -78.60883 3.53077 2.40383 -77.52930 923.32355
3340.0000 -81.09983 -77.34087 3.75896 2.29284 -78.71685 761.39678
3345.0000 -81.75735 -77.66693 4.09041 2.43680 -77.17650 893.06785
3350.0000 -80.70340 -76.14852 4.55488 2.45542 -76.97730 969.82164
3355.0000 -81.44633 -77.48888 3.95746 2.48230 -76.68965 949.43938
3360.0000 -80.09679 -76.21322 3.88357 2.48568 -76.65358 1008.45544
3365.0000 -80.32485 -76.44433 3.88052 2.45413 -76.99110 945.71725
3370.0000 -81.19250 -77.18845 4.00405 2.46918 -76.83007 980.82053
3375.0000 -80.82203 -76.69882 4.12321 2.43876 -77.15561 961.01759
3380.0000 -80.84705 -76.14112 4.70593 2.52605 -76.22159 1008.80790
3385.0000 -81.32608 -77.74695 3.57912 2.44592 -77.07901 899.96750
3390.0000 -82.23666 -78.57383 3.66283 2.37624 -77.82448 888.72184
3395.0000 -82.61905 -79.18845 3.43060 2.28756 -78.77341 839.70663
3400.0000 -81.69359 -78.17306 3.52053 2.28561 -78.79428 840.30419
3405.0000 -81.53877 -78.24623 3.29254 2.40821 -77.48248 917.12443
3410.0000 -81.25212 -77.20204 4.05008 2.38447 -77.73650 920.35067
3415.0000 -82.34457 -77.21030 5.13427 2.45408 -76.99168 964.94618
3420.0000 -81.85981 -78.02786 3.83195 2.42335 -77.32044 978.03446
3425.0000 -82.28869 -79.27220 3.01649 2.32541 -78.36836 854.56931
3430.0000 -82.24993 -79.03959 3.21035 2.29523 -78.69129 870.36534
3435.0000 -83.40301 -80.28476 3.11825 2.22401 -79.45335 793.32067
3440.0000 -82.34418 -79.12474 3.21943 2.21316 -79.56945 779.22255
3445.0000 -83.34306 -79.24264 4.10042 2.28538 -78.79674 870.21747
3450.0000 -82.16661 -78.34047 3.82613 2.32744 -78.34664 838.94578
3455.0000 -82.68949 -79.71860 2.97089 2.28483 -78.80260 870.01396
3460.0000 -80.74042 -76.22301 4.51741 2.34842 -78.12218 875.31639
3465.0000 -82.13390 -78.14010 3.99380 2.46264 -76.90006 965.03018
3470.0000 -83.34878 -78.34353 5.00525 2.32997 -78.31964 856.77790
3475.0000 -82.47231 -78.39006 4.08225 2.30662 -78.56942 896.93008
3480.0000 -82.22398 -77.98466 4.23933 2.31137 -78.51865 896.51038
3485.0000 -80.78548 -76.90392 3.88156 2.38539 -77.72658 874.04597
3490.0000 -80.67914 -75.93730 4.74184 2.51346 -76.35626 972.69008
3495.0000 -81.76894 -76.46388 5.30506 2.51088 -76.38393 1018.78664
3500.0000 -82.21583 -78.01934 4.19649 2.48229 -76.68980 1024.63873
FREEZING PROCESS: loop number 15 T-loop= 866.00000000000000
main_MD> interactions number 15 at Temperature= 866.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57802 1.05078 2.25086
force_rgl> df(natom) -0.29452 2.18433 0.64626
3505.0000 -82.44766 -78.32377 4.12389 2.29421 -78.70224 840.34704
3510.0000 -81.79093 -77.15697 4.63397 2.36644 -77.92941 897.47431
3515.0000 -82.56050 -78.23219 4.32830 2.38741 -77.70505 915.80768
3520.0000 -81.69226 -77.65412 4.03813 2.40035 -77.56654 912.36949
3525.0000 -81.74599 -77.14370 4.60229 2.33751 -78.23894 856.05592
3530.0000 -82.35152 -77.93626 4.41526 2.39860 -77.58532 929.49335
3535.0000 -81.44015 -76.53705 4.90310 2.42156 -77.33959 975.43345
3540.0000 -81.30276 -76.76829 4.53447 2.47239 -76.79576 929.63535
3545.0000 -81.92083 -77.71781 4.20302 2.41667 -77.39193 928.72149
3550.0000 -82.95178 -78.54652 4.40526 2.37142 -77.87608 898.24399
3555.0000 -82.70197 -78.66118 4.04078 2.32056 -78.42026 851.07091
3560.0000 -83.20908 -79.73159 3.47749 2.22135 -79.48178 788.51191
3565.0000 -83.69132 -80.49589 3.19543 2.15998 -80.13854 726.12501
3570.0000 -82.21865 -77.71880 4.49985 2.30765 -78.55844 857.91417
3575.0000 -80.89302 -76.61957 4.27345 2.42077 -77.34802 922.23374
3580.0000 -81.82207 -77.07985 4.74222 2.39915 -77.57943 930.22147
3585.0000 -81.85462 -77.08661 4.76802 2.46718 -76.85151 980.36206
3590.0000 -81.24911 -76.67699 4.57212 2.51431 -76.34718 1075.75232
3595.0000 -81.98261 -77.83542 4.14718 2.45573 -76.97403 984.20985
3600.0000 -81.62545 -77.70818 3.91727 2.35807 -78.01895 873.04044
3605.0000 -82.51419 -78.84427 3.66992 2.35169 -78.08726 858.71632
3610.0000 -81.83683 -78.64770 3.18913 2.30765 -78.55848 808.86559
3615.0000 -82.15178 -78.78178 3.37000 2.36815 -77.91109 888.75174
3620.0000 -83.62667 -79.33586 4.29081 2.25389 -79.13366 810.89833
3625.0000 -83.00475 -79.23435 3.77040 2.21224 -79.57933 760.64031
3630.0000 -82.47001 -78.66438 3.80564 2.28001 -78.85419 804.78948
3635.0000 -82.06432 -78.17963 3.88469 2.31164 -78.51572 854.41968
3640.0000 -81.28032 -77.21030 4.07003 2.39334 -77.64155 915.84938
3645.0000 -82.84443 -79.69592 3.14851 2.38465 -77.73453 906.52574
3650.0000 -82.67202 -78.50080 4.17123 2.20099 -79.69968 756.84176
3655.0000 -82.05665 -78.00175 4.05491 2.32343 -78.38956 873.78463
3660.0000 -81.02760 -76.97787 4.04974 2.37330 -77.85596 861.15941
3665.0000 -82.42220 -78.40169 4.02050 2.44952 -77.04047 961.99037
3670.0000 -82.34947 -78.67227 3.67720 2.36881 -77.90398 889.50107
3675.0000 -82.76855 -78.45228 4.31627 2.29325 -78.71251 843.38713
3680.0000 -82.22279 -78.35055 3.87223 2.31095 -78.52317 897.61739
3685.0000 -82.05619 -78.36366 3.69252 2.30358 -78.60198 833.89923
3690.0000 -82.25635 -77.42711 4.82924 2.39670 -77.60566 931.75780
3695.0000 -82.43316 -78.22814 4.20502 2.46264 -76.90001 918.54817
3700.0000 -81.77130 -78.16651 3.60478 2.37509 -77.83689 884.79468
3705.0000 -82.98844 -80.12796 2.86048 2.25777 -79.09215 767.92860
3710.0000 -82.55276 -79.89618 2.65658 2.18954 -79.82218 736.28867
3715.0000 -82.30018 -78.65961 3.64057 2.23281 -79.35916 786.91348
3720.0000 -82.20724 -78.67942 3.52782 2.26685 -78.99495 828.59249
3725.0000 -82.14235 -77.95632 4.18603 2.30052 -78.63476 849.75263
3730.0000 -82.08608 -77.49374 4.59234 2.36178 -77.97928 881.08364
3735.0000 -83.24122 -78.61769 4.62353 2.36762 -77.91672 911.90541
3740.0000 -82.73423 -78.80534 3.92888 2.30014 -78.63881 859.35517
3745.0000 -83.07604 -79.48188 3.59416 2.21312 -79.56993 766.38276
3750.0000 -82.09506 -78.91053 3.18454 2.20765 -79.62844 772.96009
FREEZING PROCESS: loop number 16 T-loop= 841.00000000000000
main_MD> interactions number 16 at Temperature= 841.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.66848 1.26311 -7.41660
force_rgl> df(natom) 1.97745 -0.89048 2.41964
3755.0000 -82.69000 -79.06180 3.62820 2.26068 -79.06104 825.34243
3760.0000 -82.96338 -79.62428 3.33910 2.21795 -79.51817 778.66825
3765.0000 -81.47073 -77.94582 3.52491 2.30287 -78.60958 845.02171
3770.0000 -83.18098 -79.74746 3.43352 2.30946 -78.53907 830.70840
3775.0000 -82.80102 -79.11341 3.68762 2.20789 -79.62583 744.31380
3780.0000 -83.49942 -79.41639 4.08303 2.21765 -79.52142 785.95321
3785.0000 -82.83081 -78.93849 3.89232 2.21608 -79.53821 775.02890
3790.0000 -82.79600 -79.07299 3.72301 2.28343 -78.81762 823.55850
3795.0000 -81.76206 -77.81073 3.95133 2.31696 -78.45887 830.94448
3800.0000 -83.13019 -79.80372 3.32648 2.26308 -79.03535 812.97872
3805.0000 -83.33270 -79.93304 3.39966 2.16720 -80.06121 704.41302
3810.0000 -84.43993 -79.93549 4.50444 2.17417 -79.98666 706.88949
3815.0000 -82.50869 -78.89628 3.61241 2.26322 -79.03379 809.04524
3820.0000 -82.31062 -79.04843 3.26220 2.25616 -79.10942 767.13809
3825.0000 -82.27006 -79.01138 3.25869 2.21174 -79.58465 726.03909
3830.0000 -82.37023 -79.30084 3.06938 2.25653 -79.10536 756.46070
3835.0000 -82.71640 -78.69747 4.01893 2.26676 -78.99592 798.28113
3840.0000 -82.66564 -78.29135 4.37429 2.34004 -78.21185 834.86964
3845.0000 -82.10575 -78.87434 3.23140 2.31859 -78.44139 839.46741
3850.0000 -81.50829 -77.70546 3.80283 2.42650 -77.28681 924.86795
3855.0000 -82.04204 -78.12593 3.91611 2.39230 -77.65273 917.47105
3860.0000 -81.96421 -78.37787 3.58634 2.32523 -78.37029 854.15514
3865.0000 -82.17173 -77.42651 4.74522 2.36497 -77.94517 922.18586
3870.0000 -82.31374 -78.08673 4.22701 2.38057 -77.77823 922.86877
3875.0000 -81.04841 -76.87344 4.17497 2.42576 -77.29464 923.14501
3880.0000 -81.73412 -78.02722 3.70690 2.45032 -77.03191 940.94955
3885.0000 -82.25269 -79.10289 3.14979 2.35658 -78.03489 838.51874
3890.0000 -82.45973 -78.59973 3.86001 2.32476 -78.37540 860.82994
3895.0000 -82.63231 -78.75017 3.88214 2.33949 -78.21773 911.69583
3900.0000 -81.82718 -77.62036 4.20681 2.38532 -77.72739 921.28575
3905.0000 -81.41417 -77.91460 3.49957 2.36040 -77.99406 845.55804
3910.0000 -81.99794 -78.45006 3.54788 2.32960 -78.32353 838.28601
3915.0000 -82.68588 -78.09775 4.58814 2.37737 -77.81240 915.65986
3920.0000 -80.31683 -76.47759 3.83924 2.42797 -77.27107 924.13641
3925.0000 -81.88799 -77.50749 4.38050 2.46793 -76.84347 984.50925
3930.0000 -82.21827 -78.11407 4.10420 2.32590 -78.36317 868.74491
3935.0000 -82.11235 -78.23658 3.87577 2.30897 -78.54433 834.99065
3940.0000 -81.54186 -78.27765 3.26421 2.30238 -78.61481 876.87775
3945.0000 -84.14940 -79.62380 4.52560 2.23548 -79.33070 757.85394
3950.0000 -83.76436 -79.82750 3.93686 2.17819 -79.94366 760.57189
3955.0000 -82.18402 -79.57890 2.60512 2.23405 -79.34594 798.07526
3960.0000 -81.80432 -78.13041 3.67391 2.34072 -78.20463 887.50993
3965.0000 -81.99247 -79.41414 2.57833 2.24392 -79.24038 731.62418
3970.0000 -82.96030 -79.06534 3.89496 2.24608 -79.21727 803.84640
3975.0000 -82.63780 -79.17306 3.46474 2.33355 -78.28127 891.20045
3980.0000 -82.92729 -79.10680 3.82049 2.24388 -79.24078 793.88401
3985.0000 -83.13198 -79.50052 3.63146 2.26709 -78.99245 834.13142
3990.0000 -82.33552 -78.41280 3.92273 2.26664 -78.99721 819.28383
3995.0000 -82.67811 -78.70824 3.96987 2.35272 -78.07624 896.23907
4000.0000 -82.44108 -78.35306 4.08802 2.31575 -78.47174 827.91744
FREEZING PROCESS: loop number 17 T-loop= 816.00000000000000
main_MD> interactions number 17 at Temperature= 816.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38751 2.41287 -1.59777
force_rgl> df(natom) -1.27947 -2.23453 1.94659
4005.0000 -81.68038 -77.94127 3.73911 2.38781 -77.70078 905.84498
4010.0000 -81.80916 -77.47626 4.33290 2.37003 -77.89103 900.72951
4015.0000 -81.72453 -76.75430 4.97023 2.44647 -77.07311 970.44662
4020.0000 -83.46930 -79.16723 4.30207 2.34318 -78.17830 896.81107
4025.0000 -82.36031 -79.12774 3.23257 2.25626 -79.10832 803.96949
4030.0000 -82.59384 -79.32877 3.26506 2.24408 -79.23868 783.83742
4035.0000 -82.27396 -78.17668 4.09727 2.31694 -78.45907 871.71322
4040.0000 -81.83315 -77.92896 3.90419 2.32440 -78.37926 838.85095
4045.0000 -81.60602 -77.67189 3.93414 2.31655 -78.46319 853.59434
4050.0000 -82.16795 -77.42979 4.73816 2.33458 -78.27028 882.93996
4055.0000 -82.37250 -78.90814 3.46436 2.37943 -77.79042 900.41608
4060.0000 -82.65423 -78.58204 4.07219 2.32179 -78.40713 827.36953
4065.0000 -82.48757 -78.67800 3.80957 2.27815 -78.87408 850.59245
4070.0000 -83.15994 -79.12260 4.03734 2.27806 -78.87501 818.05614
4075.0000 -81.86632 -77.67392 4.19240 2.26495 -79.01528 816.29125
4080.0000 -81.66174 -77.34314 4.31860 2.41013 -77.46189 908.49917
4085.0000 -81.48120 -78.10051 3.38069 2.37723 -77.81396 868.81209
4090.0000 -82.03190 -78.20536 3.82654 2.34952 -78.11045 871.22498
4095.0000 -81.97432 -78.64292 3.33140 2.33203 -78.29754 910.16845
4100.0000 -81.76852 -77.84614 3.92239 2.33744 -78.23973 856.70696
4105.0000 -83.09906 -79.85696 3.24209 2.27598 -78.89732 816.85457
4110.0000 -82.01021 -79.05620 2.95401 2.23173 -79.37073 754.88508
4115.0000 -83.32440 -80.04320 3.28120 2.23000 -79.38930 769.64588
4120.0000 -82.58502 -79.19277 3.39225 2.25920 -79.07684 816.15068
4125.0000 -83.69249 -79.69412 3.99837 2.26390 -79.02652 799.79895
4130.0000 -83.48372 -80.47828 3.00544 2.15090 -80.23567 710.60043
4135.0000 -83.71561 -81.22166 2.49395 2.13930 -80.35979 712.72573
4140.0000 -82.94726 -79.75370 3.19356 2.17957 -79.92891 771.92789
4145.0000 -83.16448 -79.50226 3.66221 2.26242 -79.04234 817.07145
4150.0000 -82.81734 -78.51142 4.30592 2.24139 -79.26744 760.54351
4155.0000 -82.95251 -79.36954 3.58297 2.28896 -78.75847 863.32871
4160.0000 -82.50055 -78.50087 3.99968 2.29213 -78.72452 818.45885
4165.0000 -82.59946 -77.97770 4.62176 2.31688 -78.45967 884.38507
4170.0000 -81.04693 -76.21460 4.83232 2.44525 -77.08618 985.12187
4175.0000 -80.77949 -76.72991 4.04957 2.49707 -76.53163 979.52743
4180.0000 -81.81312 -77.98519 3.82793 2.42409 -77.31252 925.71822
4185.0000 -82.90409 -78.92888 3.97522 2.32147 -78.41061 836.10389
4190.0000 -82.77206 -78.99400 3.77806 2.27389 -78.91963 831.44034
4195.0000 -82.74152 -78.86625 3.87527 2.27002 -78.96109 794.62356
4200.0000 -82.96851 -79.18332 3.78519 2.21031 -79.59999 755.06614
4205.0000 -82.78310 -78.27551 4.50760 2.31126 -78.51982 856.99762
4210.0000 -82.34819 -77.76653 4.58167 2.35103 -78.09425 899.49663
4215.0000 -82.12961 -78.56383 3.56578 2.36631 -77.93080 877.92142
4220.0000 -82.72614 -78.81413 3.91200 2.32395 -78.38407 835.63485
4225.0000 -82.92208 -80.17667 2.74541 2.20294 -79.67879 815.32965
4230.0000 -82.94397 -79.22722 3.71675 2.26952 -78.96641 838.20732
4235.0000 -83.15790 -79.00314 4.15476 2.28873 -78.76092 835.84145
4240.0000 -83.44104 -79.79180 3.64924 2.25313 -79.14184 827.04337
4245.0000 -82.91061 -79.11211 3.79850 2.22455 -79.44758 782.73738
4250.0000 -82.20041 -78.28233 3.91809 2.28378 -78.81379 842.61565
FREEZING PROCESS: loop number 18 T-loop= 791.00000000000000
main_MD> interactions number 18 at Temperature= 791.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.41577 0.09232 -1.11931
force_rgl> df(natom) -3.70197 0.68230 2.68266
4255.0000 -81.76531 -78.22258 3.54273 2.33752 -78.23886 867.42952
4260.0000 -81.50673 -76.61671 4.89002 2.42973 -77.25224 949.56509
4265.0000 -82.78079 -79.17322 3.60757 2.28612 -78.78885 830.54663
4270.0000 -81.78333 -78.38690 3.39643 2.27786 -78.87714 789.63850
4275.0000 -83.74529 -80.31399 3.43130 2.24646 -79.21319 775.55759
4280.0000 -83.80669 -80.05303 3.75366 2.16400 -80.09546 727.76194
4285.0000 -82.82454 -79.92587 2.89867 2.20670 -79.63856 745.06728
4290.0000 -83.29758 -79.85944 3.43814 2.20357 -79.67203 779.26967
4295.0000 -82.56702 -79.12217 3.44485 2.19625 -79.75038 751.98042
4300.0000 -82.49152 -79.63885 2.85266 2.26037 -79.06428 799.91916
4305.0000 -83.01391 -78.67149 4.34242 2.28115 -78.84203 843.93121
4310.0000 -83.28201 -79.75331 3.52870 2.22145 -79.48078 778.36558
4315.0000 -82.46643 -78.91167 3.55476 2.21176 -79.58444 775.61512
4320.0000 -82.62676 -78.70713 3.91963 2.30980 -78.53541 852.02221
4325.0000 -83.21652 -79.25605 3.96047 2.21225 -79.57924 775.85899
4330.0000 -82.88001 -79.19825 3.68176 2.25433 -79.12898 848.59930
4335.0000 -83.35687 -79.38070 3.97617 2.24008 -79.28141 770.83720
4340.0000 -82.78797 -79.15712 3.63084 2.21368 -79.56386 755.42905
4345.0000 -82.31981 -78.07900 4.24081 2.29245 -78.72102 833.51786
4350.0000 -82.77070 -79.29270 3.47801 2.29806 -78.66100 833.83781
4355.0000 -83.43793 -79.66936 3.76857 2.14923 -80.25356 724.44228
4360.0000 -83.13294 -79.70596 3.42698 2.17185 -80.01153 737.54979
4365.0000 -83.51784 -79.52628 3.99156 2.17320 -79.99707 732.16396
4370.0000 -81.88657 -78.62105 3.26552 2.30554 -78.58106 885.51926
4375.0000 -82.83272 -80.18440 2.64832 2.26484 -79.01650 802.80259
4380.0000 -82.15887 -78.63029 3.52858 2.23683 -79.31622 749.62217
4385.0000 -82.41501 -78.90559 3.50942 2.28393 -78.81227 781.77453
4390.0000 -82.08171 -78.20381 3.87790 2.31880 -78.43916 843.24855
4395.0000 -82.26919 -78.00637 4.26282 2.33742 -78.23992 873.19842
4400.0000 -82.80610 -78.95932 3.84679 2.34807 -78.12593 853.10365
4405.0000 -83.07041 -80.30122 2.76919 2.24141 -79.26724 806.02982
4410.0000 -83.34476 -79.73263 3.61212 2.20340 -79.67391 758.38766
4415.0000 -83.35028 -79.71125 3.63903 2.17772 -79.94870 778.91604
4420.0000 -83.37913 -80.84610 2.53303 2.18333 -79.88862 714.67170
4425.0000 -81.93700 -78.56992 3.36708 2.20763 -79.62859 745.73994
4430.0000 -82.55162 -78.09874 4.45288 2.33366 -78.28018 885.71526
4435.0000 -82.59665 -78.03210 4.56455 2.31256 -78.50588 906.12129
4440.0000 -82.47778 -79.21922 3.25856 2.29907 -78.65027 836.83369
4445.0000 -83.04444 -79.37093 3.67350 2.25759 -79.09406 790.61965
4450.0000 -82.13296 -78.93407 3.19890 2.19023 -79.81477 779.72400
4455.0000 -82.16774 -78.38564 3.78210 2.31122 -78.52022 827.34626
4460.0000 -82.83430 -79.43456 3.39974 2.23059 -79.38300 826.26535
4465.0000 -82.80757 -79.39243 3.41514 2.19484 -79.76550 757.14573
4470.0000 -83.75982 -80.04293 3.71689 2.12696 -80.49177 689.20833
4475.0000 -81.38260 -77.48779 3.89481 2.25215 -79.15232 774.26972
4480.0000 -82.04726 -78.24461 3.80265 2.38322 -77.74984 932.01362
4485.0000 -81.11796 -77.72019 3.39777 2.40332 -77.53478 906.57106
4490.0000 -81.66275 -78.41807 3.24468 2.35284 -78.07496 854.11166
4495.0000 -83.01402 -79.94067 3.07335 2.26728 -78.99039 822.66018
4500.0000 -82.58621 -79.29961 3.28660 2.18729 -79.84622 720.71774
FREEZING PROCESS: loop number 19 T-loop= 766.00000000000000
main_MD> interactions number 19 at Temperature= 766.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.80915 -0.66442 -2.58587
force_rgl> df(natom) 6.56408 0.57627 -3.36334
4505.0000 -82.92508 -79.34129 3.58379 2.20927 -79.61104 757.04215
4510.0000 -83.01748 -79.86919 3.14829 2.19801 -79.73155 776.38637
4515.0000 -84.12770 -80.89363 3.23407 2.12291 -80.53518 726.76416
4520.0000 -83.31342 -79.94488 3.36854 2.12389 -80.52464 697.58411
4525.0000 -82.69336 -78.46320 4.23016 2.24542 -79.22427 830.55305
4530.0000 -82.34117 -78.95049 3.39068 2.27576 -78.89969 795.64995
4535.0000 -83.68124 -80.13195 3.54928 2.17631 -79.96375 690.18523
4540.0000 -83.43629 -80.30991 3.12637 2.17789 -79.94689 726.12902
4545.0000 -82.64583 -79.52430 3.12153 2.14824 -80.26411 716.84868
4550.0000 -83.16610 -80.45271 2.71339 2.17298 -79.99940 712.74031
4555.0000 -82.48588 -78.91534 3.57054 2.19578 -79.75546 776.81362
4560.0000 -82.94995 -79.76659 3.18336 2.24507 -79.22804 809.20387
4565.0000 -84.61328 -80.83127 3.78201 2.12421 -80.52125 695.54658
4570.0000 -83.63482 -81.18690 2.44792 2.09523 -80.83125 672.83634
4575.0000 -82.89920 -80.48309 2.41611 2.10110 -80.76849 689.19989
4580.0000 -83.83307 -80.61280 3.22027 2.07504 -81.04728 669.22167
4585.0000 -83.06478 -80.31061 2.75417 2.14725 -80.27469 710.11595
4590.0000 -83.93132 -80.37880 3.55252 2.13840 -80.36936 669.26976
4595.0000 -83.52624 -79.90284 3.62340 2.16298 -80.10636 745.67782
4600.0000 -83.53488 -80.74538 2.78950 2.12619 -80.50000 705.90447
4605.0000 -83.69430 -80.70567 2.98863 2.12788 -80.48195 703.46206
4610.0000 -83.53890 -80.06460 3.47430 2.18652 -79.85453 723.80061
4615.0000 -83.80913 -80.45665 3.35248 2.14724 -80.27483 727.04393
4620.0000 -83.41376 -80.05983 3.35393 2.11065 -80.66630 680.25555
4625.0000 -83.63265 -80.68549 2.94716 2.14358 -80.31394 730.95185
4630.0000 -83.08282 -79.16419 3.91862 2.15123 -80.23206 716.27258
4635.0000 -82.66516 -79.23677 3.42839 2.21668 -79.53177 769.58233
4640.0000 -83.48538 -80.84841 2.63697 2.21987 -79.49768 760.91137
4645.0000 -83.52798 -80.85436 2.67362 2.12909 -80.46903 661.73502
4650.0000 -83.34269 -80.40529 2.93741 2.11519 -80.61778 644.56551
4655.0000 -82.90436 -79.63474 3.26962 2.12654 -80.49632 685.40479
4660.0000 -82.68087 -78.79527 3.88560 2.24436 -79.23563 817.38512
4665.0000 -83.37755 -79.72709 3.65046 2.24438 -79.23545 832.44762
4670.0000 -82.77840 -79.13260 3.64580 2.23572 -79.32803 786.73035
4675.0000 -83.49943 -79.66107 3.83836 2.23345 -79.35237 751.94325
4680.0000 -83.50348 -80.13611 3.36737 2.20676 -79.63792 758.62804
4685.0000 -82.77699 -79.03718 3.73981 2.19994 -79.71089 719.61036
4690.0000 -82.34738 -79.66556 2.68182 2.24547 -79.22376 750.53952
4695.0000 -83.93889 -80.25782 3.68107 2.15110 -80.23353 694.24628
4700.0000 -82.90318 -79.91619 2.98698 2.16932 -80.03857 707.30145
4705.0000 -82.50990 -78.70325 3.80665 2.23165 -79.37157 770.70433
4710.0000 -83.85897 -80.62229 3.23668 2.19024 -79.81469 762.18404
4715.0000 -83.08393 -79.14206 3.94187 2.14525 -80.29612 725.03060
4720.0000 -83.14311 -79.07630 4.06681 2.29779 -78.66390 827.40305
4725.0000 -83.18554 -79.14595 4.03960 2.29299 -78.71530 836.13915
4730.0000 -84.26164 -81.08833 3.17330 2.18857 -79.83253 754.58037
4735.0000 -83.35691 -79.99502 3.36190 2.12636 -80.49819 695.08107
4740.0000 -82.67526 -79.89458 2.78068 2.17797 -79.94595 747.85917
4745.0000 -82.30429 -78.70734 3.59695 2.24710 -79.20631 801.16912
4750.0000 -83.26458 -80.25409 3.01049 2.21723 -79.52589 768.05070
FREEZING PROCESS: loop number 20 T-loop= 741.00000000000000
main_MD> interactions number 20 at Temperature= 741.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15678 0.76859 -0.01638
force_rgl> df(natom) -0.50033 -2.19919 0.72002
4755.0000 -83.50048 -80.62649 2.87398 2.08369 -80.95480 637.91564
4760.0000 -84.36244 -81.17204 3.19040 2.08086 -80.98501 683.94108
4765.0000 -83.63628 -81.18712 2.44916 2.01606 -81.67845 592.07686
4770.0000 -83.27213 -80.29074 2.98140 2.10457 -80.73134 685.96599
4775.0000 -83.51716 -80.23681 3.28036 2.12256 -80.53884 741.64575
4780.0000 -84.07484 -80.58729 3.48754 2.15724 -80.16781 739.76650
4785.0000 -83.88882 -81.03426 2.85456 2.10655 -80.71017 688.04671
4790.0000 -83.99158 -80.72818 3.26340 2.03258 -81.50165 615.76262
4795.0000 -83.11473 -79.94651 3.16823 2.16376 -80.09799 711.92937
4800.0000 -82.96012 -79.79692 3.16321 2.16574 -80.07690 713.98224
4805.0000 -82.83447 -79.12985 3.70462 2.22760 -79.41496 796.57604
4810.0000 -83.04892 -79.67423 3.37469 2.20096 -79.69996 739.43333
4815.0000 -83.43742 -79.04288 4.39454 2.21128 -79.58955 776.52603
4820.0000 -84.02403 -80.64620 3.37784 2.19789 -79.73281 768.25535
4825.0000 -84.45861 -80.96863 3.48997 2.11205 -80.65131 712.09515
4830.0000 -83.37406 -80.39844 2.97562 2.13600 -80.39510 733.05182
4835.0000 -83.41675 -80.45786 2.95889 2.14906 -80.25533 679.28241
4840.0000 -83.27780 -79.60759 3.67021 2.18415 -79.87991 720.93393
4845.0000 -82.82983 -79.57813 3.25170 2.20372 -79.67049 735.06132
4850.0000 -82.97306 -79.23554 3.73752 2.25536 -79.11788 792.82333
4855.0000 -84.13410 -80.73322 3.40088 2.20386 -79.66898 776.66449
4860.0000 -82.84498 -79.66991 3.17507 2.18986 -79.81881 777.75461
4865.0000 -83.87484 -80.49674 3.37809 2.14485 -80.30040 713.16745
4870.0000 -83.33839 -80.25710 3.08129 2.12093 -80.55630 717.77949
4875.0000 -83.40160 -79.67859 3.72301 2.18245 -79.89806 708.50741
4880.0000 -83.01879 -80.19288 2.82591 2.20189 -79.69003 762.26891
4885.0000 -84.23809 -80.64031 3.59779 2.11460 -80.62405 673.90283
4890.0000 -83.16911 -80.39085 2.77826 2.09367 -80.84803 665.82253
4895.0000 -82.62350 -79.17600 3.44750 2.24006 -79.28169 808.92080
4900.0000 -83.45585 -79.69658 3.75927 2.25702 -79.10021 786.19461
4905.0000 -81.64408 -77.83695 3.80714 2.29449 -78.69919 790.48627
4910.0000 -83.21090 -79.38808 3.82282 2.34727 -78.13453 868.35378
4915.0000 -83.19214 -79.33839 3.85375 2.21596 -79.53946 770.22023
4920.0000 -83.72342 -80.42822 3.29520 2.17248 -80.00473 751.11019
4925.0000 -83.24327 -80.52317 2.72010 2.13145 -80.44379 675.71606
4930.0000 -83.28657 -79.60751 3.67906 2.14672 -80.28037 726.41943
4935.0000 -82.60122 -79.50724 3.09397 2.22005 -79.49578 711.54647
4940.0000 -82.53263 -78.59268 3.93994 2.26382 -79.02736 797.72589
4945.0000 -81.62665 -78.73930 2.88735 2.30575 -78.57881 851.69154
4950.0000 -82.27473 -78.81819 3.45653 2.29351 -78.70976 827.90854
4955.0000 -82.49890 -78.63644 3.86246 2.27931 -78.86166 820.07365
4960.0000 -83.52488 -79.59557 3.92931 2.24550 -79.22343 790.54156
4965.0000 -83.29597 -79.82616 3.46982 2.16924 -80.03936 726.45042
4970.0000 -82.57649 -79.84559 2.73090 2.17116 -80.01885 749.38336
4975.0000 -84.02128 -80.45213 3.56915 2.19775 -79.73437 762.63442
4980.0000 -84.57029 -80.99079 3.57951 2.11305 -80.64058 695.42191
4985.0000 -83.91805 -81.10974 2.80831 2.09902 -80.79076 677.35516
4990.0000 -83.37620 -81.44170 1.93451 2.07072 -81.09360 653.35221
4995.0000 -83.00174 -79.98553 3.01621 2.12097 -80.55592 671.58799
5000.0000 -82.66346 -79.66338 3.00008 2.18211 -79.90168 734.20706
FREEZING PROCESS: loop number 21 T-loop= 716.00000000000000
main_MD> interactions number 21 at Temperature= 716.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19546 -0.74313 -0.00731
force_rgl> df(natom) -0.21396 -3.99889 1.07358
5005.0000 -83.38824 -80.70893 2.67931 2.14796 -80.26705 731.77806
5010.0000 -83.89192 -80.67176 3.22016 2.13578 -80.39746 682.65963
5015.0000 -83.60953 -80.29896 3.31056 2.12761 -80.48487 728.91787
5020.0000 -82.85367 -79.47884 3.37483 2.17086 -80.02202 732.09929
5025.0000 -82.65551 -79.05540 3.60011 2.25320 -79.14101 822.69191
5030.0000 -83.67823 -80.16525 3.51298 2.20337 -79.67420 763.81024
5035.0000 -83.05955 -79.73455 3.32499 2.16360 -80.09977 713.39728
5040.0000 -83.61895 -80.45599 3.16296 2.15935 -80.14519 743.19621
5045.0000 -83.78866 -79.99324 3.79542 2.12174 -80.54769 683.91023
5050.0000 -83.38912 -80.38927 2.99986 2.11431 -80.62712 682.08555
5055.0000 -83.65301 -80.51875 3.13425 2.15867 -80.15247 703.03105
5060.0000 -83.42571 -80.47404 2.95167 2.08670 -80.92259 638.17504
5065.0000 -84.16727 -81.11059 3.05668 2.07012 -81.09993 645.01847
5070.0000 -83.86827 -80.90556 2.96271 2.09994 -80.78089 693.76853
5075.0000 -83.98597 -79.93446 4.05151 2.13426 -80.41369 685.40379
5080.0000 -83.72575 -80.59348 3.13227 2.16017 -80.13643 725.49408
5085.0000 -82.76680 -80.15765 2.60915 2.16352 -80.10061 744.09292
5090.0000 -83.83858 -80.33367 3.50491 2.14648 -80.28293 699.79435
5095.0000 -83.76805 -80.91606 2.85199 2.19439 -79.77031 762.73925
5100.0000 -83.78118 -80.56780 3.21337 2.14333 -80.31663 720.17256
5105.0000 -84.43621 -81.14546 3.29075 2.11313 -80.63983 678.66254
5110.0000 -84.55857 -80.98697 3.57160 2.08629 -80.92697 644.86350
5115.0000 -84.20242 -81.00719 3.19523 2.08090 -80.98464 664.59413
5120.0000 -83.53829 -80.68620 2.85210 2.12972 -80.46225 707.88096
5125.0000 -83.55481 -80.54989 3.00492 2.16324 -80.10364 731.47363
5130.0000 -83.17983 -79.63553 3.54430 2.16859 -80.04635 745.05240
5135.0000 -83.44255 -79.89980 3.54275 2.15536 -80.18796 713.71989
5140.0000 -83.30624 -79.77150 3.53474 2.20427 -79.66458 748.49410
5145.0000 -83.24617 -80.39633 2.84984 2.12920 -80.46781 686.85006
5150.0000 -83.45821 -80.26828 3.18993 2.13498 -80.40602 711.71556
5155.0000 -82.99907 -79.76876 3.23030 2.14987 -80.24670 698.34409
5160.0000 -83.44593 -80.57587 2.87006 2.19056 -79.81131 771.03066
5165.0000 -84.19840 -81.77303 2.42536 2.07009 -81.10024 653.03983
5170.0000 -83.46081 -80.61024 2.85056 2.10945 -80.67913 688.12927
5175.0000 -83.54810 -79.95553 3.59257 2.12759 -80.48503 714.32253
5180.0000 -83.19600 -79.83293 3.36306 2.19318 -79.78328 750.88674
5185.0000 -83.27390 -79.64694 3.62696 2.22707 -79.42061 748.10864
5190.0000 -84.06869 -80.40954 3.65916 2.14872 -80.25901 724.78845
5195.0000 -83.66840 -80.33824 3.33016 2.15180 -80.22600 704.61040
5200.0000 -83.61807 -80.11092 3.50715 2.12749 -80.48611 667.41265
5205.0000 -83.88715 -80.66716 3.21999 2.11333 -80.63766 698.26958
5210.0000 -83.78410 -80.42064 3.36345 2.10309 -80.74717 681.79666
5215.0000 -83.24680 -80.03055 3.21625 2.16340 -80.10187 696.87883
5220.0000 -84.31715 -80.21981 4.09734 2.15217 -80.22208 722.50179
5225.0000 -83.43285 -80.23976 3.19308 2.12445 -80.51869 676.35573
5230.0000 -83.45716 -80.10414 3.35303 2.14032 -80.34885 741.09990
5235.0000 -83.98900 -80.36040 3.62860 2.12949 -80.46472 701.04281
5240.0000 -83.67726 -80.05524 3.62201 2.15366 -80.20613 709.49961
5245.0000 -84.07968 -80.78321 3.29647 2.15860 -80.15329 706.63335
5250.0000 -84.09552 -80.99175 3.10377 2.05686 -81.24182 613.39753
FREEZING PROCESS: loop number 22 T-loop= 691.00000000000000
main_MD> interactions number 22 at Temperature= 691.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.01329 -2.14911 1.78160
force_rgl> df(natom) -1.10230 -0.30173 3.92189
5255.0000 -83.87768 -80.49756 3.38012 2.04840 -81.33243 621.12387
5260.0000 -82.66861 -79.89609 2.77252 2.15874 -80.15175 718.48670
5265.0000 -83.92497 -80.98666 2.93831 2.15172 -80.22682 706.71643
5270.0000 -84.56606 -81.57063 2.99543 2.06576 -81.14668 621.80642
5275.0000 -83.70679 -81.40777 2.29903 1.99541 -81.89940 573.61282
5280.0000 -83.82784 -80.52999 3.29786 2.07406 -81.05783 676.03310
5285.0000 -83.98301 -80.76267 3.22034 2.12892 -80.47081 700.57405
5290.0000 -83.39410 -80.51264 2.88147 2.09300 -80.85520 667.08835
5295.0000 -84.66559 -81.58058 3.08501 2.07092 -81.09139 642.48888
5300.0000 -84.20914 -81.03954 3.16961 2.07540 -81.04351 684.92562
5305.0000 -83.22413 -80.42060 2.80352 2.12168 -80.54829 678.29656
5310.0000 -83.72339 -80.20943 3.51397 2.14204 -80.33046 677.49272
5315.0000 -83.51327 -79.98734 3.52594 2.17659 -79.96078 719.94444
5320.0000 -83.45715 -79.96297 3.49418 2.18146 -79.90870 751.48486
5325.0000 -83.82150 -80.05081 3.77069 2.16981 -80.03329 710.15537
5330.0000 -83.12295 -78.97867 4.14428 2.15812 -80.15842 704.49893
5335.0000 -82.80361 -79.66219 3.14142 2.21655 -79.53315 789.18460
5340.0000 -83.09099 -80.08769 3.00330 2.18018 -79.92238 715.71709
5345.0000 -83.45470 -80.97196 2.48274 2.12828 -80.47770 681.17350
5350.0000 -83.53670 -80.62765 2.90904 2.08511 -80.93959 635.90664
5355.0000 -83.00988 -79.82441 3.18548 2.12150 -80.55024 675.59231
5360.0000 -83.34834 -80.27695 3.07139 2.16381 -80.09753 698.22154
5365.0000 -84.47915 -81.05948 3.41967 2.12572 -80.50508 723.15084
5370.0000 -84.87123 -82.05577 2.81546 2.04419 -81.37743 629.05270
5375.0000 -84.43842 -82.06119 2.37723 1.99157 -81.94044 563.94856
5380.0000 -83.99157 -81.60020 2.39137 2.03568 -81.46845 612.21754
5385.0000 -83.65797 -80.48961 3.16836 2.09342 -80.85062 660.51137
5390.0000 -83.13092 -79.05986 4.07105 2.14838 -80.26257 704.91084
5395.0000 -83.10950 -79.66992 3.43958 2.19426 -79.77168 720.57121
5400.0000 -82.50999 -78.82707 3.68291 2.20796 -79.62514 781.94812
5405.0000 -83.51233 -80.08363 3.42870 2.19789 -79.73282 786.38103
5410.0000 -83.20357 -79.93318 3.27039 2.19002 -79.81710 749.00518
5415.0000 -82.25171 -79.44670 2.80501 2.19391 -79.77544 745.48230
5420.0000 -83.45683 -79.94208 3.51476 2.17386 -79.99000 695.36485
5425.0000 -82.67654 -79.78055 2.89600 2.19233 -79.79232 722.91622
5430.0000 -84.40942 -81.68104 2.72838 2.08536 -80.93688 637.79813
5435.0000 -84.07694 -81.39040 2.68655 2.04636 -81.35423 607.24146
5440.0000 -83.89249 -80.92562 2.96687 2.03889 -81.43410 609.33389
5445.0000 -83.69721 -81.26417 2.43305 2.05321 -81.28089 622.87518
5450.0000 -83.59485 -80.34927 3.24558 2.09975 -80.78291 657.31220
5455.0000 -83.42223 -80.56653 2.85571 2.12660 -80.49569 692.46353
5460.0000 -83.46294 -79.37171 4.09123 2.14969 -80.24853 697.36769
5465.0000 -83.07277 -79.22783 3.84494 2.26006 -79.06769 819.90446
5470.0000 -83.42231 -79.90637 3.51594 2.18800 -79.83869 732.09689
5475.0000 -82.64813 -79.56778 3.08035 2.18500 -79.87073 708.29374
5480.0000 -83.52081 -80.32318 3.19763 2.21644 -79.53433 753.17521
5485.0000 -84.28530 -80.96366 3.32164 2.10915 -80.68241 674.28981
5490.0000 -83.34532 -80.66038 2.68493 2.10739 -80.70116 681.64009
5495.0000 -83.73989 -81.17898 2.56091 2.10113 -80.76823 661.16718
5500.0000 -83.34395 -80.71932 2.62462 2.08567 -80.93356 674.15183
FREEZING PROCESS: loop number 23 T-loop= 666.00000000000000
main_MD> interactions number 23 at Temperature= 666.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79590 -0.77633 -1.95423
force_rgl> df(natom) -1.65936 0.15748 0.31466
5505.0000 -83.94144 -81.05992 2.88151 2.11466 -80.62337 702.54793
5510.0000 -84.08041 -81.10692 2.97350 2.05171 -81.29697 640.45502
5515.0000 -83.97340 -80.68785 3.28555 2.04899 -81.32605 638.63011
5520.0000 -83.48263 -80.91359 2.56905 2.09235 -80.86213 642.85205
5525.0000 -84.23172 -81.14328 3.08845 2.08783 -80.91046 632.69720
5530.0000 -83.18117 -80.20010 2.98107 2.10120 -80.76737 694.97449
5535.0000 -83.70194 -81.00169 2.70026 2.12582 -80.50394 703.74440
5540.0000 -83.17367 -80.46445 2.70921 2.12951 -80.46455 674.48750
5545.0000 -84.05458 -81.11178 2.94280 2.06697 -81.13369 643.90266
5550.0000 -83.16626 -79.98028 3.18597 2.10470 -80.72994 667.12646
5555.0000 -83.05097 -80.76288 2.28810 2.13117 -80.44671 692.32920
5560.0000 -83.60033 -80.72650 2.87384 2.11861 -80.58112 671.39421
5565.0000 -83.61093 -80.31897 3.29196 2.15178 -80.22622 710.07588
5570.0000 -83.57688 -80.00715 3.56972 2.13309 -80.42615 712.67598
5575.0000 -82.57050 -79.72581 2.84469 2.17797 -79.94602 772.22944
5580.0000 -83.51935 -80.16307 3.35628 2.12786 -80.48212 695.41789
5585.0000 -84.34804 -81.29634 3.05170 2.10325 -80.74544 689.93776
5590.0000 -83.13509 -80.04404 3.09105 2.08779 -80.91090 651.11485
5595.0000 -83.58571 -80.75545 2.83026 2.16609 -80.07307 701.00142
5600.0000 -83.27361 -79.95882 3.31479 2.10949 -80.67873 665.20123
5605.0000 -83.89947 -80.11802 3.78146 2.18131 -79.91022 728.52939
5610.0000 -84.25281 -81.22982 3.02298 2.12638 -80.49798 687.56283
5615.0000 -83.39966 -80.32183 3.07783 2.07967 -80.99784 669.97586
5620.0000 -82.84615 -79.39719 3.44896 2.19920 -79.71884 763.97532
5625.0000 -83.34291 -80.22847 3.11444 2.20634 -79.64248 759.98728
5630.0000 -83.97196 -80.14240 3.82956 2.12370 -80.52663 670.64970
5635.0000 -83.18127 -79.74440 3.43687 2.19969 -79.71362 738.69938
5640.0000 -83.14941 -79.99627 3.15314 2.20026 -79.70751 736.86270
5645.0000 -84.25046 -81.00188 3.24859 2.08624 -80.92751 647.10113
5650.0000 -83.64997 -80.66109 2.98888 2.10394 -80.73809 655.33228
5655.0000 -84.11329 -80.39318 3.72011 2.17859 -79.93941 737.61643
5660.0000 -83.72810 -80.82650 2.90160 2.10399 -80.73760 656.20555
5665.0000 -84.31717 -81.04009 3.27709 2.09717 -80.81055 621.03703
5670.0000 -83.75163 -81.25685 2.49478 2.05397 -81.27274 619.27028
5675.0000 -83.51697 -80.27000 3.24697 2.10726 -80.70262 667.83588
5680.0000 -83.76225 -80.22795 3.53429 2.17226 -80.00705 775.55175
5685.0000 -83.00918 -79.76627 3.24290 2.10063 -80.77352 631.57720
5690.0000 -84.11596 -81.01462 3.10134 2.09690 -80.81346 657.15748
5695.0000 -83.31063 -80.72085 2.58979 2.06505 -81.15418 647.91127
5700.0000 -84.05994 -81.16876 2.89118 2.12838 -80.47656 672.50015
5705.0000 -84.04372 -80.58682 3.45690 2.06649 -81.13879 672.35415
5710.0000 -83.94670 -80.61126 3.33543 2.09280 -80.85730 665.79557
5715.0000 -84.07327 -80.62585 3.44742 2.15605 -80.18054 738.64590
5720.0000 -84.86542 -81.45300 3.41243 2.08007 -80.99348 660.21142
5725.0000 -84.01293 -80.56802 3.44492 2.09049 -80.88204 667.32743
5730.0000 -84.34472 -81.10475 3.23997 2.08009 -80.99327 648.67284
5735.0000 -84.20387 -81.46092 2.74295 2.04200 -81.40088 624.18046
5740.0000 -83.89627 -81.20317 2.69311 2.06774 -81.12541 636.82062
5745.0000 -83.05833 -79.81209 3.24624 2.11408 -80.62960 651.97633
5750.0000 -82.96363 -79.13765 3.82598 2.23518 -79.33388 775.99000
FREEZING PROCESS: loop number 24 T-loop= 641.00000000000000
main_MD> interactions number 24 at Temperature= 641.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46136 1.86395 -0.45133
force_rgl> df(natom) -0.45809 -0.44599 -2.74395
5755.0000 -82.03370 -78.13114 3.90256 2.28012 -78.85302 788.47562
5760.0000 -82.51177 -79.31989 3.19188 2.26465 -79.01853 780.20118
5765.0000 -83.97825 -80.60331 3.37494 2.16422 -80.09315 710.84927
5770.0000 -83.22392 -79.31022 3.91370 2.20342 -79.67367 731.99317
5775.0000 -83.13493 -79.23997 3.89496 2.23195 -79.36840 759.67065
5780.0000 -83.10527 -80.10571 2.99956 2.21720 -79.52627 775.22204
5785.0000 -83.53709 -80.35984 3.17726 2.17020 -80.02910 740.47866
5790.0000 -83.04736 -80.04085 3.00651 2.19404 -79.77401 745.21299
5795.0000 -82.85018 -80.24534 2.60484 2.15105 -80.23402 721.63269
5800.0000 -83.58312 -80.08892 3.49420 2.17817 -79.94383 724.74342
5805.0000 -83.13296 -80.57772 2.55525 2.14366 -80.31313 674.35647
5810.0000 -82.84944 -79.99010 2.85934 2.17918 -79.93306 662.13795
5815.0000 -82.95388 -80.40334 2.55054 2.12575 -80.50477 687.01404
5820.0000 -84.17590 -81.49990 2.67600 2.08595 -80.93055 667.67473
5825.0000 -84.65998 -82.32301 2.33697 2.03366 -81.49012 592.35671
5830.0000 -84.05037 -80.44254 3.60783 2.06185 -81.18844 646.97628
5835.0000 -83.88812 -81.47085 2.41727 2.11589 -80.61022 683.09714
5840.0000 -84.35501 -81.60780 2.74721 2.04737 -81.34338 614.16144
5845.0000 -83.75825 -80.86040 2.89785 2.10154 -80.76381 655.02444
5850.0000 -83.92755 -81.14066 2.78688 2.07705 -81.02580 594.61463
5855.0000 -83.24662 -80.23524 3.01138 2.11021 -80.67105 673.03176
5860.0000 -83.62649 -81.00983 2.61665 2.06562 -81.14816 661.75847
5865.0000 -84.83855 -81.91644 2.92210 2.04278 -81.39248 629.64628
5870.0000 -84.34751 -81.20528 3.14223 2.02893 -81.54071 622.03404
5875.0000 -84.20017 -81.49070 2.70948 2.04351 -81.38466 593.78462
5880.0000 -83.96012 -81.16771 2.79241 2.06729 -81.13030 632.26463
5885.0000 -83.96461 -80.63518 3.32942 2.04452 -81.37388 607.82827
5890.0000 -84.25117 -81.30245 2.94872 2.06086 -81.19907 662.43411
5895.0000 -83.65164 -80.96401 2.68763 2.06322 -81.17378 643.93378
5900.0000 -84.21351 -81.22181 2.99171 2.05159 -81.29821 617.98298
5905.0000 -83.70969 -80.15828 3.55142 2.09208 -80.86497 650.96512
5910.0000 -84.06340 -80.86874 3.19466 2.07797 -81.01601 650.35921
5915.0000 -84.52802 -81.44514 3.08288 2.06560 -81.14834 671.53577
5920.0000 -84.20131 -80.81748 3.38383 2.07243 -81.07527 665.61057
5925.0000 -84.58191 -82.25367 2.32824 2.02399 -81.59358 608.12320
5930.0000 -84.87522 -82.68639 2.18882 1.99934 -81.85727 555.11144
5935.0000 -84.69200 -82.02309 2.66892 1.97568 -82.11042 537.85646
5940.0000 -83.45834 -80.96115 2.49719 2.03352 -81.49157 602.08062
5945.0000 -84.47044 -81.25379 3.21665 2.05424 -81.26991 637.34762
5950.0000 -83.56606 -80.67521 2.89085 2.06196 -81.18733 634.36427
5955.0000 -84.28690 -81.58702 2.69988 2.06234 -81.18327 598.19678
5960.0000 -84.46250 -81.81762 2.64488 2.02291 -81.60509 582.83993
5965.0000 -84.71497 -82.44613 2.26884 2.01482 -81.69166 568.22529
5970.0000 -83.97352 -81.40066 2.57286 2.00168 -81.83229 557.71570
5975.0000 -83.62191 -81.41389 2.20802 2.02955 -81.53412 562.18600
5980.0000 -83.97090 -80.94430 3.02659 2.05354 -81.27734 568.73324
5985.0000 -84.12056 -81.86993 2.25063 2.03356 -81.49117 595.31983
5990.0000 -83.72999 -81.06259 2.66740 2.08109 -80.98264 656.88000
5995.0000 -84.22612 -80.97891 3.24722 2.07172 -81.08281 679.09544
6000.0000 -84.94404 -81.13418 3.80985 2.06601 -81.14395 670.73912
FREEZING PROCESS: loop number 25 T-loop= 616.00000000000000
main_MD> interactions number 25 at Temperature= 616.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54060 1.73459 1.83966
force_rgl> df(natom) 2.01602 -0.17048 0.03762
6005.0000 -84.21825 -81.48622 2.73203 2.05005 -81.31469 624.90147
6010.0000 -84.83486 -81.70792 3.12694 2.03857 -81.43750 657.45771
6015.0000 -84.84628 -81.73274 3.11354 1.99639 -81.88887 614.61495
6020.0000 -84.17374 -81.80360 2.37014 2.00483 -81.79861 633.25238
6025.0000 -84.27759 -80.98537 3.29222 2.01376 -81.70306 587.10073
6030.0000 -84.86391 -81.95246 2.91145 2.02856 -81.54464 614.30196
6035.0000 -84.95493 -81.79438 3.16055 2.01142 -81.72803 607.44084
6040.0000 -84.35053 -81.52423 2.82630 1.97233 -82.14628 562.80645
6045.0000 -83.76156 -81.25701 2.50455 2.03994 -81.42294 606.47022
6050.0000 -84.87179 -82.01862 2.85317 1.99581 -81.89506 590.57195
6055.0000 -84.72376 -81.59875 3.12500 2.01214 -81.72038 594.03324
6060.0000 -84.27679 -81.71609 2.56071 2.01863 -81.65091 584.02809
6065.0000 -83.52774 -80.34687 3.18087 2.07794 -81.01627 632.07455
6070.0000 -84.52153 -81.76257 2.75896 2.05697 -81.24066 647.40803
6075.0000 -84.08054 -81.22805 2.85248 2.03082 -81.52047 596.05789
6080.0000 -84.17436 -81.90088 2.27349 2.01275 -81.71378 606.43448
6085.0000 -84.53691 -81.22816 3.30875 2.01267 -81.71471 596.83269
6090.0000 -83.99439 -81.63363 2.36076 2.03602 -81.46481 627.06304
6095.0000 -83.76379 -81.11607 2.64772 2.09384 -80.84613 658.37440
6100.0000 -84.08940 -80.77024 3.31917 2.13718 -80.38240 726.77929
6105.0000 -84.34941 -81.28275 3.06665 2.08871 -80.90102 654.52143
6110.0000 -83.96306 -80.49709 3.46597 2.08175 -80.97551 653.67388
6115.0000 -84.00690 -81.23224 2.77465 2.07803 -81.01534 645.03805
6120.0000 -84.60435 -81.32468 3.27967 2.06584 -81.14576 647.57721
6125.0000 -83.90566 -80.61863 3.28704 2.06885 -81.11354 616.21478
6130.0000 -84.37347 -81.54987 2.82361 2.10905 -80.68342 689.70987
6135.0000 -84.73685 -81.42105 3.31580 2.02977 -81.53173 620.22914
6140.0000 -85.21305 -82.35914 2.85391 2.01202 -81.72159 607.08969
6145.0000 -84.92605 -82.03679 2.88926 1.95244 -82.35910 556.32604
6150.0000 -84.81310 -82.18742 2.62568 1.96424 -82.23293 558.99397
6155.0000 -85.33493 -82.13882 3.19611 1.98120 -82.05146 587.67732
6160.0000 -84.21406 -81.46640 2.74766 1.98983 -81.95902 583.32905
6165.0000 -84.93285 -82.17382 2.75903 2.04174 -81.40369 618.90270
6170.0000 -84.50480 -82.11793 2.38687 1.99573 -81.89591 561.17777
6175.0000 -83.47740 -80.21486 3.26254 2.00159 -81.83326 563.35616
6180.0000 -84.71122 -82.01226 2.69895 2.02691 -81.56231 609.95325
6185.0000 -83.61044 -81.23553 2.37491 2.03289 -81.49829 625.64414
6190.0000 -84.49149 -81.47613 3.01536 2.03263 -81.50108 642.36215
6195.0000 -83.39811 -80.12984 3.26828 2.06862 -81.11602 650.05979
6200.0000 -83.85320 -80.91891 2.93429 2.12007 -80.56551 631.22098
6205.0000 -84.49683 -82.08982 2.40701 2.00156 -81.83360 583.42087
6210.0000 -84.22589 -81.68634 2.53956 1.99614 -81.89158 588.77340
6215.0000 -84.53147 -80.25098 4.28050 2.03805 -81.44315 633.90776
6220.0000 -84.34021 -82.14761 2.19260 2.05976 -81.21082 641.23853
6225.0000 -83.83945 -80.82161 3.01784 2.01204 -81.72148 575.04312
6230.0000 -83.82962 -81.19629 2.63333 2.09026 -80.88443 648.96381
6235.0000 -83.81995 -80.82031 2.99964 2.08297 -80.96245 678.55257
6240.0000 -84.23750 -81.06922 3.16828 2.06602 -81.14384 652.82600
6245.0000 -84.43567 -81.46558 2.97008 2.07909 -81.00399 658.74511
6250.0000 -84.12535 -81.37449 2.75086 2.01269 -81.71450 581.33287
FREEZING PROCESS: loop number 26 T-loop= 591.00000000000000
main_MD> interactions number 26 at Temperature= 591.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85381 -1.57807 -1.86474
force_rgl> df(natom) -2.20481 -0.41661 -0.38235
6255.0000 -84.81739 -82.07164 2.74576 1.99058 -81.95100 604.37945
6260.0000 -84.47723 -81.42739 3.04984 2.00420 -81.80527 590.31355
6265.0000 -84.31872 -82.35422 1.96450 1.99695 -81.88291 598.46636
6270.0000 -84.38323 -81.82968 2.55356 1.95761 -82.30380 521.43656
6275.0000 -84.94326 -82.08359 2.85967 1.93008 -82.59834 512.74912
6280.0000 -84.58166 -81.38676 3.19490 2.01824 -81.65512 618.24957
6285.0000 -83.71404 -81.58585 2.12818 2.05175 -81.29655 662.96885
6290.0000 -83.88134 -81.34066 2.54068 2.08183 -80.97471 632.84246
6295.0000 -83.45820 -81.25593 2.20227 2.09330 -80.85194 654.57835
6300.0000 -83.79496 -80.74306 3.05190 2.06477 -81.15719 650.24297
6305.0000 -84.08229 -81.06645 3.01584 2.11074 -80.66530 672.57558
6310.0000 -84.03117 -80.70760 3.32357 2.08564 -80.93395 665.19439
6315.0000 -84.34662 -81.72884 2.61778 2.03896 -81.43340 619.25001
6320.0000 -85.12034 -82.73343 2.38692 1.94637 -82.42408 530.11166
6325.0000 -84.59876 -81.99919 2.59958 1.96054 -82.27250 558.86094
6330.0000 -84.63271 -82.25746 2.37525 1.97637 -82.10306 565.79792
6335.0000 -83.47939 -80.53549 2.94389 2.04299 -81.39024 638.75244
6340.0000 -83.91766 -80.94267 2.97499 2.10803 -80.69434 723.28241
6345.0000 -83.71907 -80.92258 2.79649 2.07605 -81.03655 647.40208
6350.0000 -84.51420 -81.57020 2.94401 2.03756 -81.44839 630.26896
6355.0000 -84.18447 -81.59206 2.59241 2.00880 -81.75611 588.66533
6360.0000 -84.72688 -82.11433 2.61255 1.99442 -81.90992 598.90437
6365.0000 -84.55119 -82.69011 1.86108 1.95943 -82.28433 561.17511
6370.0000 -85.13476 -83.07340 2.06136 1.87582 -83.17891 457.01715
6375.0000 -85.02808 -82.68910 2.33897 1.89302 -82.99491 481.46065
6380.0000 -84.88299 -82.03039 2.85260 1.93791 -82.51466 499.73926
6385.0000 -84.55266 -81.59479 2.95787 2.02457 -81.58730 589.73990
6390.0000 -84.07297 -81.49585 2.57712 2.05724 -81.23776 632.25902
6395.0000 -83.97006 -81.97874 1.99131 2.02126 -81.62274 606.18308
6400.0000 -84.33695 -82.41611 1.92083 1.92827 -82.61773 505.44465
6405.0000 -84.57943 -82.02179 2.55764 1.95772 -82.30265 575.80294
6410.0000 -84.65902 -81.62437 3.03465 2.02694 -81.56198 595.96849
6415.0000 -84.49733 -82.25119 2.24615 1.98897 -81.96822 547.02946
6420.0000 -83.82107 -81.27732 2.54375 2.03068 -81.52201 592.38957
6425.0000 -84.86380 -82.41657 2.44724 2.01369 -81.70373 586.12001
6430.0000 -84.37513 -81.50021 2.87492 1.98359 -82.02586 567.33133
6435.0000 -84.46213 -81.94694 2.51520 2.01474 -81.69256 586.01541
6440.0000 -84.39263 -81.56350 2.82912 1.99934 -81.85727 553.82680
6445.0000 -84.76593 -81.99397 2.77197 2.00787 -81.76608 556.47508
6450.0000 -84.35131 -81.75897 2.59233 2.01900 -81.64697 594.42537
6455.0000 -84.20605 -81.30226 2.90380 1.99479 -81.90599 540.81476
6460.0000 -84.32919 -81.83261 2.49658 2.05555 -81.25589 617.42201
6465.0000 -84.39064 -81.97281 2.41783 1.98880 -81.97011 562.77872
6470.0000 -84.30796 -81.70692 2.60105 2.01523 -81.68734 610.26489
6475.0000 -84.10733 -81.86867 2.23866 2.05523 -81.25928 638.05033
6480.0000 -85.35663 -82.73659 2.62004 1.96371 -82.23860 549.20055
6485.0000 -84.50984 -81.92189 2.58795 1.96027 -82.27535 569.00484
6490.0000 -85.06067 -82.79617 2.26450 1.99346 -81.92020 592.58967
6495.0000 -83.95626 -81.58723 2.36903 2.01725 -81.66571 617.86516
6500.0000 -84.39500 -81.35054 3.04446 2.06088 -81.19884 630.94192
FREEZING PROCESS: loop number 27 T-loop= 566.00000000000000
main_MD> interactions number 27 at Temperature= 566.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.26447 1.49174 -0.05111
force_rgl> df(natom) -0.53698 1.37395 -1.18230
6505.0000 -84.45710 -82.24413 2.21297 2.02141 -81.62116 567.82955
6510.0000 -84.71610 -82.51080 2.20530 1.93123 -82.58610 489.29839
6515.0000 -85.09860 -82.78361 2.31500 1.90371 -82.88056 490.63814
6520.0000 -84.46583 -82.12090 2.34493 1.94773 -82.40951 504.84584
6525.0000 -84.91960 -82.49782 2.42178 1.95446 -82.33753 491.17511
6530.0000 -83.20203 -80.60463 2.59741 2.02767 -81.55418 544.82330
6535.0000 -83.95160 -81.71263 2.23897 2.05205 -81.29334 608.30953
6540.0000 -84.04577 -82.10436 1.94141 2.00942 -81.74944 566.01769
6545.0000 -85.01493 -82.04604 2.96889 1.97689 -82.09751 543.32176
6550.0000 -84.61698 -82.04921 2.56777 1.96348 -82.24103 521.99419
6555.0000 -84.92455 -82.23027 2.69428 1.96104 -82.26708 530.59995
6560.0000 -84.69944 -81.93780 2.76164 1.97030 -82.16799 546.35751
6565.0000 -84.79477 -81.85681 2.93796 1.96804 -82.19227 560.47394
6570.0000 -84.09527 -81.81810 2.27716 2.00347 -81.81313 575.46534
6575.0000 -84.42075 -81.77361 2.64714 2.03019 -81.52724 591.87602
6580.0000 -85.25236 -81.87887 3.37349 1.98319 -82.03012 558.88556
6585.0000 -84.17656 -81.44276 2.73380 1.99667 -81.88586 576.71383
6590.0000 -84.48622 -80.91816 3.56807 2.09152 -80.87103 623.51445
6595.0000 -84.70324 -81.63908 3.06416 2.05255 -81.28799 628.41886
6600.0000 -84.87535 -82.15228 2.72307 2.02828 -81.54763 603.26515
6605.0000 -83.80714 -80.93221 2.87493 2.00091 -81.84047 632.78102
6610.0000 -84.67565 -81.71909 2.95656 2.04780 -81.33875 637.23298
6615.0000 -84.34788 -82.20432 2.14356 1.98356 -82.02615 563.40841
6620.0000 -83.71918 -80.92722 2.79197 2.02107 -81.62477 577.77867
6625.0000 -84.69884 -81.58471 3.11413 2.04663 -81.35128 611.10843
6630.0000 -84.46782 -81.79870 2.66911 2.00222 -81.82651 581.68560
6635.0000 -84.16915 -81.21787 2.95128 2.03511 -81.47457 621.88658
6640.0000 -83.93428 -81.42132 2.51296 2.05192 -81.29468 602.55390
6645.0000 -84.32946 -80.65133 3.67813 2.05408 -81.27165 643.74745
6650.0000 -84.17519 -81.83724 2.33795 2.04948 -81.32081 627.84817
6655.0000 -84.59309 -81.86606 2.72703 1.97511 -82.11662 543.13366
6660.0000 -85.14906 -82.51598 2.63308 1.99616 -81.89137 585.99054
6665.0000 -84.76865 -82.38122 2.38744 1.92272 -82.67719 526.55243
6670.0000 -84.39674 -81.98429 2.41245 2.00336 -81.81431 617.60678
6675.0000 -83.82817 -81.40461 2.42357 2.04322 -81.38778 593.66049
6680.0000 -84.14778 -81.33933 2.80845 2.03808 -81.44276 611.95180
6685.0000 -85.08593 -82.08701 2.99892 1.96104 -82.26710 538.53640
6690.0000 -85.03432 -82.29306 2.74126 1.96003 -82.27790 566.16161
6695.0000 -84.44706 -82.08469 2.36237 1.97676 -82.09890 573.57127
6700.0000 -85.34046 -82.78713 2.55333 1.94557 -82.43265 556.08659
6705.0000 -85.70875 -83.50245 2.20630 1.87294 -83.20978 488.68388
6710.0000 -85.08286 -82.68967 2.39319 1.89889 -82.93208 492.94581
6715.0000 -84.39348 -81.94752 2.44596 1.95179 -82.36607 544.89422
6720.0000 -83.90154 -81.46424 2.43730 2.04739 -81.34313 624.65160
6725.0000 -84.43594 -81.71400 2.72194 2.04696 -81.34780 581.74056
6730.0000 -83.49439 -80.87559 2.61880 2.02372 -81.59650 548.25752
6735.0000 -84.16298 -81.35257 2.81042 2.09989 -80.78146 665.46298
6740.0000 -84.94674 -82.40009 2.54664 2.00199 -81.82901 596.62531
6745.0000 -85.24295 -82.78945 2.45350 1.94091 -82.48246 514.70980
6750.0000 -84.31876 -81.85101 2.46776 1.95630 -82.31782 542.19174
FREEZING PROCESS: loop number 28 T-loop= 541.00000000000000
main_MD> interactions number 28 at Temperature= 541.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.88755 0.22501 2.24199
force_rgl> df(natom) 2.04227 -5.40566 -5.17451
6755.0000 -85.16607 -82.25913 2.90694 1.95064 -82.37842 526.01400
6760.0000 -85.05878 -82.50563 2.55316 1.92178 -82.68718 492.08588
6765.0000 -84.78408 -82.36348 2.42060 1.95813 -82.29826 525.75128
6770.0000 -84.36235 -82.00238 2.35997 1.97346 -82.13428 575.54171
6775.0000 -85.13392 -82.62349 2.51044 1.97074 -82.16332 547.06344
6780.0000 -84.51271 -81.90346 2.60925 1.94924 -82.39338 552.44088
6785.0000 -84.58545 -82.25297 2.33248 1.97528 -82.11479 557.58235
6790.0000 -84.98316 -82.83306 2.15010 1.94847 -82.40164 537.79127
6795.0000 -84.45595 -81.65613 2.79982 1.95033 -82.38170 528.42935
6800.0000 -84.04309 -81.41402 2.62908 2.01736 -81.66450 598.32656
6805.0000 -84.88504 -82.04043 2.84461 2.01300 -81.71110 566.98257
6810.0000 -84.23678 -81.74425 2.49252 1.99677 -81.88484 599.69008
6815.0000 -83.84709 -81.60552 2.24157 2.01636 -81.67517 581.55755
6820.0000 -84.13809 -80.98994 3.14815 2.07801 -81.01560 626.18289
6825.0000 -84.13730 -80.94813 3.18917 2.05045 -81.31043 634.53213
6830.0000 -85.32710 -82.77500 2.55209 1.98468 -82.01420 574.64838
6835.0000 -85.19315 -82.91123 2.28192 1.90842 -82.83019 503.72793
6840.0000 -85.35969 -83.10166 2.25803 1.88512 -83.07945 468.85827
6845.0000 -84.28084 -82.09021 2.19063 1.91107 -82.80177 486.53131
6850.0000 -84.46384 -82.12704 2.33681 2.00586 -81.78755 598.93434
6855.0000 -84.29339 -82.18063 2.11277 2.01605 -81.67849 579.45622
6860.0000 -84.31588 -81.71403 2.60185 2.01913 -81.64559 618.44813
6865.0000 -84.61515 -81.86158 2.75357 2.02918 -81.53808 632.80319
6870.0000 -84.76567 -82.34153 2.42413 1.98942 -81.96343 540.47768
6875.0000 -84.20927 -81.66854 2.54073 2.01068 -81.73598 582.11381
6880.0000 -84.53788 -82.32665 2.21123 1.96117 -82.26576 545.30813
6885.0000 -85.19298 -83.05064 2.14234 1.89814 -82.94018 499.15378
6890.0000 -85.87419 -83.47302 2.40116 1.88507 -83.08000 490.03390
6895.0000 -84.25360 -81.82168 2.43191 1.94053 -82.48655 545.68147
6900.0000 -85.23687 -82.68794 2.54893 1.95026 -82.38251 522.90853
6905.0000 -85.21159 -82.64195 2.56964 1.93997 -82.49260 543.51915
6910.0000 -85.30685 -83.46598 1.84087 1.89608 -82.96215 519.61721
6915.0000 -84.76721 -82.39954 2.36767 1.91762 -82.73172 518.24197
6920.0000 -85.57120 -83.41717 2.15403 1.93800 -82.51360 522.88896
6925.0000 -85.13829 -82.14535 2.99294 1.91911 -82.71575 517.66076
6930.0000 -84.83599 -81.93468 2.90132 1.96814 -82.19114 598.07150
6935.0000 -85.53626 -83.18628 2.34997 1.94354 -82.45438 549.84514
6940.0000 -85.73054 -83.48019 2.25035 1.88126 -83.12071 494.89442
6945.0000 -84.99992 -82.30286 2.69706 1.91125 -82.79984 496.84441
6950.0000 -85.07433 -83.19859 1.87574 1.90160 -82.90313 511.07715
6955.0000 -85.06428 -82.62057 2.44371 1.90848 -82.82952 490.78738
6960.0000 -85.16720 -83.04818 2.11902 1.90578 -82.85844 483.66359
6965.0000 -84.56658 -82.31376 2.25282 1.92329 -82.67102 483.25964
6970.0000 -84.33145 -82.30759 2.02386 1.94276 -82.46268 515.32933
6975.0000 -84.76360 -81.62009 3.14351 1.96449 -82.23016 556.77182
6980.0000 -85.21085 -82.72417 2.48668 1.97417 -82.12659 571.87476
6985.0000 -84.49427 -82.18919 2.30509 1.94145 -82.47671 544.59274
6990.0000 -84.78339 -82.06808 2.71531 1.97957 -82.06882 550.33331
6995.0000 -84.55464 -82.35619 2.19845 1.97453 -82.12274 556.52039
7000.0000 -85.04804 -82.87794 2.17009 1.94545 -82.43396 543.53896
FREEZING PROCESS: loop number 29 T-loop= 516.00000000000000
main_MD> interactions number 29 at Temperature= 516.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41901 1.55495 -0.26353
force_rgl> df(natom) 0.55105 -0.86525 1.64291
7005.0000 -85.56655 -82.89310 2.67345 1.85022 -83.45290 459.54059
7010.0000 -84.41819 -82.39070 2.02750 1.91470 -82.76300 524.26533
7015.0000 -84.47707 -81.78176 2.69532 1.99301 -81.92501 584.82055
7020.0000 -84.71535 -81.90479 2.81056 2.00063 -81.84351 604.27753
7025.0000 -84.58735 -82.09425 2.49310 1.98006 -82.06360 566.05316
7030.0000 -84.30758 -82.14347 2.16411 1.97857 -82.07957 586.15564
7035.0000 -84.33557 -82.35013 1.98544 1.94202 -82.47062 529.29336
7040.0000 -85.04636 -82.60689 2.43948 1.92442 -82.65895 511.62140
7045.0000 -85.16581 -82.25306 2.91275 1.94530 -82.43558 544.86196
7050.0000 -84.36974 -81.47998 2.88976 1.97654 -82.10130 554.13027
7055.0000 -84.34197 -81.81971 2.52226 2.01567 -81.68262 608.99830
7060.0000 -85.09129 -82.62140 2.46989 1.92768 -82.62406 528.39676
7065.0000 -85.10103 -82.66660 2.43443 1.94158 -82.47533 544.91889
7070.0000 -84.80160 -82.13112 2.67048 1.95049 -82.38002 537.38423
7075.0000 -84.98913 -82.71269 2.27644 1.92266 -82.67781 506.99352
7080.0000 -84.87827 -83.46777 1.41050 1.89696 -82.95280 484.71825
7085.0000 -84.81505 -82.33155 2.48350 1.90956 -82.81793 477.78622
7090.0000 -84.98949 -82.20098 2.78851 1.98165 -82.04662 537.05113
7095.0000 -84.56075 -82.25819 2.30256 1.98819 -81.97657 562.03686
7100.0000 -84.72125 -82.51072 2.21053 1.92119 -82.69348 496.10118
7105.0000 -85.26368 -83.26707 1.99661 1.91065 -82.80630 506.86689
7110.0000 -85.36503 -83.47875 1.88629 1.87029 -83.23818 476.63352
7115.0000 -85.60710 -83.61706 1.99005 1.87377 -83.20089 477.75503
7120.0000 -85.41165 -83.38211 2.02954 1.84180 -83.54302 437.77397
7125.0000 -85.48310 -82.94578 2.53733 1.86821 -83.26040 467.19785
7130.0000 -85.65793 -83.26419 2.39374 1.87586 -83.17858 486.55923
7135.0000 -85.70503 -82.89656 2.80846 1.87800 -83.15564 494.91034
7140.0000 -84.99271 -82.79935 2.19336 1.91277 -82.78359 505.44541
7145.0000 -84.31451 -82.01007 2.30444 1.97728 -82.09331 530.85844
7150.0000 -84.80045 -82.25761 2.54284 1.96238 -82.25279 515.26501
7155.0000 -84.39037 -82.08897 2.30140 1.98335 -82.02844 539.76445
7160.0000 -84.62782 -82.48444 2.14338 1.98098 -82.05380 548.41618
7165.0000 -85.40698 -83.12880 2.27818 1.88371 -83.09450 474.07474
7170.0000 -85.28778 -82.85827 2.42952 1.90211 -82.89761 497.74318
7175.0000 -85.41550 -82.63409 2.78141 1.91817 -82.72577 539.36831
7180.0000 -84.67429 -82.62396 2.05032 1.93322 -82.56475 541.80884
7185.0000 -85.51248 -81.84402 3.66846 1.99317 -81.92335 601.28197
7190.0000 -84.91396 -82.98401 1.92995 1.91248 -82.78666 511.63143
7195.0000 -85.10421 -82.42642 2.67779 1.92164 -82.68873 512.13684
7200.0000 -84.47716 -81.89208 2.58507 1.96637 -82.21013 562.38512
7205.0000 -85.24116 -82.71564 2.52552 1.93945 -82.49812 507.96596
7210.0000 -84.44825 -82.32101 2.12724 1.94191 -82.47179 532.43314
7215.0000 -85.27821 -82.64132 2.63688 1.95833 -82.29606 549.45955
7220.0000 -85.16576 -82.51795 2.64781 1.94436 -82.44559 536.94736
7225.0000 -84.86134 -82.44203 2.41931 1.93300 -82.56711 532.04181
7230.0000 -84.92025 -82.11767 2.80258 1.99391 -81.91545 613.60439
7235.0000 -84.37233 -82.15317 2.21915 1.99269 -81.92843 595.67100
7240.0000 -84.80631 -82.98820 1.81811 1.92739 -82.62718 525.89072
7245.0000 -85.51935 -83.13566 2.38369 1.87603 -83.17676 469.41260
7250.0000 -85.46166 -83.33428 2.12737 1.85760 -83.37393 463.64246
FREEZING PROCESS: loop number 30 T-loop= 491.00000000000000
main_MD> interactions number 30 at Temperature= 491.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66668 0.56375 1.60109
force_rgl> df(natom) -1.11875 -0.15095 1.22680
7255.0000 -85.12745 -83.41534 1.71212 1.85875 -83.36164 468.26952
7260.0000 -85.17214 -82.70504 2.46711 1.87543 -83.18314 470.07148
7265.0000 -85.48311 -82.92044 2.56267 1.91043 -82.80862 505.19357
7270.0000 -85.22111 -83.08062 2.14049 1.89601 -82.96288 484.58520
7275.0000 -85.05745 -82.78742 2.27002 1.92257 -82.67873 510.87282
7280.0000 -85.21665 -82.56441 2.65224 1.90586 -82.85755 481.50108
7285.0000 -84.96742 -82.55436 2.41306 1.91851 -82.72215 520.15671
7290.0000 -85.37200 -83.52734 1.84466 1.86939 -83.24776 464.81400
7295.0000 -85.37808 -83.68489 1.69319 1.83087 -83.65996 445.95412
7300.0000 -85.47179 -83.33389 2.13790 1.86683 -83.27513 484.04503
7305.0000 -85.64514 -83.38335 2.26179 1.84368 -83.52288 465.19515
7310.0000 -85.47979 -83.18305 2.29673 1.88190 -83.11389 494.07336
7315.0000 -85.60831 -83.15889 2.44942 1.87309 -83.20821 469.04372
7320.0000 -85.21354 -83.49046 1.72308 1.86741 -83.26896 458.79161
7325.0000 -85.58610 -83.29503 2.29107 1.86312 -83.31484 460.26513
7330.0000 -85.19752 -83.21403 1.98349 1.88169 -83.11613 488.70689
7335.0000 -85.51041 -83.26824 2.24217 1.87756 -83.16032 468.63957
7340.0000 -85.23806 -82.57596 2.66211 1.90465 -82.87047 513.82149
7345.0000 -84.56944 -81.78522 2.78421 1.93986 -82.49376 540.31199
7350.0000 -85.61322 -83.07029 2.54294 1.93251 -82.57241 527.70605
7355.0000 -85.18733 -83.18515 2.00218 1.87131 -83.22724 479.51809
7360.0000 -84.98048 -82.52080 2.45968 1.88263 -83.10612 492.36711
7365.0000 -85.02513 -82.53514 2.48999 1.93349 -82.56195 533.11264
7370.0000 -84.71858 -82.47384 2.24474 1.95087 -82.37591 565.05811
7375.0000 -85.38086 -82.86517 2.51570 1.93238 -82.57376 514.14936
7380.0000 -84.66271 -82.83831 1.82441 1.88185 -83.11446 462.45317
7385.0000 -84.55939 -81.86104 2.69835 1.94012 -82.49095 531.73013
7390.0000 -83.87141 -82.46134 1.41007 1.94160 -82.47515 528.25969
7395.0000 -84.54539 -82.15229 2.39310 1.96106 -82.26689 540.98823
7400.0000 -85.52096 -83.36296 2.15800 1.90108 -82.90868 536.19707
7405.0000 -85.38427 -83.19112 2.19315 1.83957 -83.56687 457.77721
7410.0000 -85.40007 -82.55039 2.84968 1.88320 -83.10000 496.44976
7415.0000 -85.06633 -82.48070 2.58564 1.91728 -82.73531 509.11656
7420.0000 -85.69034 -83.06468 2.62566 1.92948 -82.60479 520.07128
7425.0000 -85.28961 -82.53427 2.75535 1.89486 -82.97526 482.31540
7430.0000 -85.25314 -82.72278 2.53036 1.95003 -82.38487 538.84017
7435.0000 -85.16115 -83.57148 1.58966 1.88927 -83.03506 480.94856
7440.0000 -85.35478 -83.35505 1.99973 1.83304 -83.63673 421.02845
7445.0000 -85.11369 -83.19420 1.91949 1.89415 -82.98279 492.84012
7450.0000 -84.80444 -82.95346 1.85097 1.89012 -83.02600 482.01637
7455.0000 -84.64323 -82.36058 2.28265 1.91125 -82.79991 477.28096
7460.0000 -84.69825 -82.18244 2.51581 1.93926 -82.50019 545.87916
7465.0000 -85.28600 -83.16535 2.12065 1.91415 -82.76881 511.27018
7470.0000 -85.09573 -82.91031 2.18543 1.91120 -82.80038 493.16646
7475.0000 -84.82588 -82.79648 2.02940 1.91151 -82.79708 524.80196
7480.0000 -85.09641 -83.14462 1.95178 1.90872 -82.82691 509.72457
7485.0000 -85.28327 -82.72806 2.55521 1.88483 -83.08256 467.24172
7490.0000 -84.77594 -82.92399 1.85196 1.91083 -82.80433 492.30411
7495.0000 -84.97119 -82.85681 2.11438 1.91759 -82.73202 505.24765
7500.0000 -85.00905 -82.58632 2.42273 1.93026 -82.59645 513.21200
FREEZING PROCESS: loop number 31 T-loop= 466.00000000000000
main_MD> interactions number 31 at Temperature= 466.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21892 0.73304 -0.09308
force_rgl> df(natom) 1.85697 -4.25304 -7.91493
7505.0000 -84.87396 -82.24173 2.63223 1.94852 -82.40112 536.67447
7510.0000 -85.47730 -82.55205 2.92525 1.95262 -82.35723 563.80684
7515.0000 -85.74235 -83.35579 2.38656 1.89155 -83.01065 510.37476
7520.0000 -85.32688 -83.74675 1.58013 1.84249 -83.53561 452.08212
7525.0000 -85.38132 -83.49733 1.88400 1.81538 -83.82569 417.12882
7530.0000 -86.24323 -83.95204 2.29119 1.86696 -83.27381 475.64227
7535.0000 -85.41853 -83.59403 1.82450 1.82402 -83.73324 442.43811
7540.0000 -85.68359 -83.56229 2.12130 1.82534 -83.71908 435.08289
7545.0000 -85.58499 -83.69884 1.88614 1.84654 -83.49221 444.15127
7550.0000 -85.64328 -83.61218 2.03110 1.82642 -83.70754 437.59101
7555.0000 -86.00351 -83.55190 2.45161 1.85120 -83.44244 466.36820
7560.0000 -85.79532 -83.66096 2.13436 1.84520 -83.50661 457.81974
7565.0000 -86.05405 -84.11006 1.94399 1.83239 -83.64367 445.32321
7570.0000 -85.66391 -83.95144 1.71247 1.79328 -84.06213 414.65757
7575.0000 -85.40038 -83.44884 1.95154 1.82355 -83.73825 433.04424
7580.0000 -85.93706 -84.01877 1.91830 1.82834 -83.68699 446.55972
7585.0000 -85.32383 -83.00762 2.31621 1.83171 -83.65092 441.98640
7590.0000 -85.59452 -83.65999 1.93453 1.88026 -83.13140 485.76971
7595.0000 -85.84144 -83.55081 2.29063 1.86594 -83.28466 470.13515
7600.0000 -85.31957 -83.22551 2.09407 1.86272 -83.31917 470.55587
7605.0000 -85.23238 -82.77399 2.45839 1.90128 -82.90653 495.44889
7610.0000 -84.88112 -82.62210 2.25902 1.92308 -82.67330 512.04924
7615.0000 -85.54876 -83.13646 2.41230 1.89887 -82.93228 469.37320
7620.0000 -85.63720 -83.29732 2.33988 1.86868 -83.25531 438.23887
7625.0000 -85.64757 -83.24745 2.40012 1.89913 -82.92951 477.38543
7630.0000 -85.21070 -82.59351 2.61719 1.87854 -83.14989 463.41761
7635.0000 -85.25453 -82.58594 2.66859 1.92819 -82.61858 497.38672
7640.0000 -84.52475 -82.28865 2.23610 1.94023 -82.48973 476.91456
7645.0000 -84.91903 -82.90355 2.01548 1.95271 -82.35627 506.14647
7650.0000 -84.86481 -82.77435 2.09046 1.90996 -82.81364 486.72004
7655.0000 -85.03095 -82.54521 2.48574 1.90876 -82.82647 503.77960
7660.0000 -84.93588 -82.73654 2.19934 1.92756 -82.62532 520.85467
7665.0000 -85.03866 -82.40869 2.62997 1.93653 -82.52936 530.99104
7670.0000 -85.02050 -82.61714 2.40336 1.92339 -82.66993 513.81591
7675.0000 -85.32828 -83.31542 2.01286 1.86739 -83.26920 474.23814
7680.0000 -85.51315 -83.36784 2.14531 1.85619 -83.38896 427.65277
7685.0000 -85.20308 -83.23394 1.96914 1.85181 -83.43592 416.53486
7690.0000 -85.30784 -83.42480 1.88304 1.83871 -83.57605 403.12031
7695.0000 -85.03135 -82.65115 2.38020 1.89534 -82.97010 461.34781
7700.0000 -85.21121 -83.00500 2.20621 1.90422 -82.87511 473.91477
7705.0000 -84.90342 -82.80037 2.10305 1.91008 -82.81242 485.91978
7710.0000 -84.71627 -82.67171 2.04456 1.91710 -82.73729 478.42583
7715.0000 -84.92796 -82.97656 1.95140 1.89140 -83.01225 473.72372
7720.0000 -85.49436 -83.36633 2.12803 1.87098 -83.23076 454.55090
7725.0000 -85.28706 -83.14732 2.13974 1.85070 -83.44769 452.49591
7730.0000 -85.04432 -82.49315 2.55117 1.89487 -82.97518 472.81743
7735.0000 -84.28617 -82.47781 1.80836 1.94396 -82.44992 539.66112
7740.0000 -84.48898 -82.34500 2.14398 1.92424 -82.66087 503.96629
7745.0000 -85.10430 -82.94302 2.16128 1.90860 -82.82821 496.09743
7750.0000 -85.29550 -83.00911 2.28639 1.89856 -82.93559 483.13985
FREEZING PROCESS: loop number 32 T-loop= 441.00000000000000
main_MD> interactions number 32 at Temperature= 441.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32296 0.13394 -1.04856
force_rgl> df(natom) -4.05683 -0.21321 -0.37188
7755.0000 -85.12510 -82.86791 2.25720 1.89343 -82.99058 480.69447
7760.0000 -84.93030 -82.87354 2.05676 1.90057 -82.91409 495.40760
7765.0000 -85.17096 -83.19837 1.97259 1.89379 -82.98669 502.24487
7770.0000 -85.40471 -83.28066 2.12406 1.87715 -83.16476 459.63588
7775.0000 -85.76716 -83.87257 1.89459 1.85241 -83.42949 454.89731
7780.0000 -85.78898 -83.80252 1.98645 1.81638 -83.81496 404.38909
7785.0000 -85.67694 -83.47456 2.20238 1.84803 -83.47631 456.39982
7790.0000 -85.52441 -83.59408 1.93033 1.83744 -83.58962 445.90110
7795.0000 -85.67083 -83.63895 2.03188 1.80583 -83.92787 420.87867
7800.0000 -85.92885 -83.68530 2.24354 1.82551 -83.71730 441.28708
7805.0000 -85.54930 -83.79670 1.75260 1.82638 -83.70793 409.55198
7810.0000 -85.63192 -83.52465 2.10728 1.83602 -83.60484 433.09541
7815.0000 -85.06706 -83.12987 1.93718 1.85927 -83.35609 450.96402
7820.0000 -85.48191 -83.51100 1.97091 1.83897 -83.57326 443.77501
7825.0000 -85.78098 -83.85081 1.93018 1.83810 -83.58251 437.99097
7830.0000 -85.46994 -83.36902 2.10093 1.84064 -83.55542 460.17816
7835.0000 -85.43142 -83.45734 1.97408 1.83353 -83.63150 439.51203
7840.0000 -85.55759 -83.51110 2.04649 1.85800 -83.36966 472.65065
7845.0000 -85.48668 -83.90303 1.58365 1.82457 -83.72736 413.07811
7850.0000 -85.79545 -84.29784 1.49761 1.79198 -84.07599 387.92633
7855.0000 -85.49297 -83.75673 1.73624 1.83145 -83.65368 415.07549
7860.0000 -85.20817 -83.31411 1.89407 1.82873 -83.68283 434.25999
7865.0000 -85.88712 -84.44908 1.43805 1.80808 -83.90375 403.56125
7870.0000 -85.48477 -83.56672 1.91805 1.81437 -83.83643 393.40903
7875.0000 -86.02810 -84.07716 1.95094 1.82591 -83.71297 428.82513
7880.0000 -85.54596 -83.45619 2.08977 1.86356 -83.31019 475.96308
7885.0000 -85.70586 -83.52953 2.17633 1.87479 -83.19003 471.52716
7890.0000 -86.11065 -84.02981 2.08084 1.83110 -83.65742 426.87923
7895.0000 -85.63626 -83.55308 2.08318 1.82758 -83.69515 440.82432
7900.0000 -85.74553 -84.09924 1.64629 1.80550 -83.93134 412.00143
7905.0000 -85.65819 -83.98658 1.67160 1.79182 -84.07773 394.94990
7910.0000 -86.13381 -84.17814 1.95568 1.76633 -84.35044 381.62388
7915.0000 -85.56973 -83.72148 1.84826 1.81715 -83.80674 434.91808
7920.0000 -86.01019 -84.13290 1.87729 1.81988 -83.77753 426.59380
7925.0000 -86.26571 -84.44869 1.81702 1.77957 -84.20880 385.83537
7930.0000 -85.91616 -84.24134 1.67481 1.77302 -84.27886 360.08617
7935.0000 -85.33581 -83.48047 1.85534 1.83204 -83.64741 431.03929
7940.0000 -85.42294 -83.36481 2.05813 1.83724 -83.59175 417.75734
7945.0000 -85.53555 -83.39124 2.14431 1.89808 -82.94081 484.42063
7950.0000 -85.76035 -83.25610 2.50425 1.86925 -83.24922 486.79775
7955.0000 -85.62932 -83.67448 1.95483 1.78984 -84.09898 381.06734
7960.0000 -85.32374 -83.15583 2.16791 1.83624 -83.60248 431.74558
7965.0000 -85.14668 -82.96747 2.17921 1.88271 -83.10521 477.52032
7970.0000 -85.69300 -83.33344 2.35956 1.84205 -83.54031 450.83816
7975.0000 -85.79471 -83.81410 1.98061 1.81413 -83.83909 424.09863
7980.0000 -85.79064 -83.73284 2.05780 1.83281 -83.63913 433.02108
7985.0000 -85.79971 -83.92052 1.87919 1.82534 -83.71909 433.23728
7990.0000 -85.27177 -83.51068 1.76109 1.80433 -83.94387 401.71978
7995.0000 -85.07684 -83.36872 1.70812 1.82657 -83.70597 432.97198
8000.0000 -85.21359 -83.40197 1.81162 1.86763 -83.26663 449.12128
FREEZING PROCESS: loop number 33 T-loop= 416.00000000000000
main_MD> interactions number 33 at Temperature= 416.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29087 0.01932 2.23121
force_rgl> df(natom) 0.27846 0.21398 -1.19144
8005.0000 -85.45781 -83.99737 1.46044 1.85017 -83.45337 452.98124
8010.0000 -85.53027 -83.94549 1.58478 1.80949 -83.88865 387.58154
8015.0000 -85.88492 -83.85767 2.02725 1.78030 -84.20099 381.02112
8020.0000 -86.05765 -84.31007 1.74758 1.78389 -84.16259 409.32700
8025.0000 -85.85140 -84.11674 1.73466 1.79712 -84.02108 428.40088
8030.0000 -85.95334 -84.03247 1.92088 1.81683 -83.81016 418.50587
8035.0000 -85.92667 -83.92850 1.99817 1.79878 -84.00330 412.71633
8040.0000 -86.38675 -84.62548 1.76127 1.79352 -84.05957 408.99336
8045.0000 -86.02343 -84.21621 1.80722 1.73763 -84.65760 350.57570
8050.0000 -85.71306 -84.16298 1.55009 1.78586 -84.14152 402.42204
8055.0000 -86.15266 -84.31079 1.84187 1.75397 -84.48270 374.29164
8060.0000 -86.30819 -84.72920 1.57899 1.79133 -84.08297 393.36581
8065.0000 -86.51917 -84.77527 1.74390 1.73598 -84.67523 342.93722
8070.0000 -86.16781 -84.63438 1.53343 1.73522 -84.68339 353.15189
8075.0000 -86.32186 -84.90044 1.42142 1.73753 -84.65863 345.35549
8080.0000 -86.29093 -84.77417 1.51676 1.72012 -84.84494 314.32757
8085.0000 -86.33543 -84.59995 1.73548 1.74903 -84.53555 353.47276
8090.0000 -86.18838 -84.62871 1.55967 1.74523 -84.57624 349.61931
8095.0000 -86.08960 -84.04316 2.04645 1.76763 -84.33663 373.34945
8100.0000 -85.88195 -84.09343 1.78852 1.80787 -83.90600 411.24059
8105.0000 -86.03591 -84.31947 1.71643 1.76531 -84.36145 381.63074
8110.0000 -85.98697 -83.95660 2.03037 1.80010 -83.98921 415.76916
8115.0000 -85.79927 -84.06016 1.73911 1.80290 -83.95916 404.60540
8120.0000 -86.17638 -84.02867 2.14771 1.79175 -84.07854 386.09854
8125.0000 -85.66028 -83.71019 1.95009 1.81419 -83.83834 427.05449
8130.0000 -85.40093 -83.69756 1.70337 1.79925 -83.99820 388.49095
8135.0000 -85.08202 -82.81316 2.26887 1.83767 -83.58718 443.69426
8140.0000 -85.52569 -84.00545 1.52024 1.84256 -83.53486 443.30086
8145.0000 -86.06062 -84.71280 1.34781 1.75714 -84.44884 348.38507
8150.0000 -86.21659 -84.40536 1.81122 1.77072 -84.30349 365.97489
8155.0000 -85.95976 -84.05126 1.90850 1.78845 -84.11380 395.62633
8160.0000 -85.79191 -83.88409 1.90782 1.78757 -84.12320 398.83131
8165.0000 -85.12131 -83.28004 1.84128 1.82321 -83.74190 430.80688
8170.0000 -85.25817 -83.79405 1.46411 1.84231 -83.53749 440.42928
8175.0000 -86.06172 -83.92490 2.13681 1.81169 -83.86513 404.90486
8180.0000 -85.62722 -83.98820 1.63902 1.82206 -83.75418 424.74568
8185.0000 -85.72973 -83.80215 1.92758 1.79656 -84.02704 398.51393
8190.0000 -85.92193 -84.19780 1.72413 1.80513 -83.93533 409.17142
8195.0000 -85.96425 -84.35451 1.60974 1.79529 -84.04065 395.01211
8200.0000 -85.82526 -84.16482 1.66044 1.77350 -84.27379 374.32980
8205.0000 -86.04418 -84.40952 1.63466 1.78040 -84.19989 387.19498
8210.0000 -85.79660 -83.89854 1.89806 1.80543 -83.93209 399.89055
8215.0000 -85.28139 -83.62394 1.65745 1.82347 -83.73907 421.44038
8220.0000 -85.67602 -83.89997 1.77604 1.81136 -83.86866 391.32584
8225.0000 -85.28900 -83.59796 1.69104 1.83219 -83.64580 416.16955
8230.0000 -85.45790 -84.06629 1.39162 1.81529 -83.82661 415.30968
8235.0000 -85.79012 -83.76148 2.02863 1.79606 -84.03242 386.03492
8240.0000 -85.49832 -83.61175 1.88658 1.81931 -83.78361 418.36697
8245.0000 -85.79101 -83.95884 1.83217 1.84606 -83.49742 442.89218
8250.0000 -85.58680 -83.80821 1.77859 1.80571 -83.92917 394.71664
FREEZING PROCESS: loop number 34 T-loop= 391.00000000000000
main_MD> interactions number 34 at Temperature= 391.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00507 -0.12611 -0.11399
force_rgl> df(natom) -0.90891 0.85643 1.88373
8255.0000 -86.02233 -84.35091 1.67142 1.79911 -83.99979 386.86457
8260.0000 -85.59566 -84.00534 1.59032 1.78390 -84.16254 347.60216
8265.0000 -85.61768 -84.28141 1.33626 1.78272 -84.17517 327.66833
8270.0000 -85.30811 -83.71134 1.59677 1.81558 -83.82352 354.46587
8275.0000 -85.29490 -83.54415 1.75076 1.83535 -83.61204 389.76687
8280.0000 -85.58131 -83.37366 2.20765 1.84069 -83.55480 417.53575
8285.0000 -85.77466 -83.56991 2.20475 1.86390 -83.30651 451.64957
8290.0000 -85.85301 -84.13018 1.72283 1.82073 -83.76846 424.25014
8295.0000 -85.95562 -83.81421 2.14141 1.80824 -83.90207 401.15236
8300.0000 -86.02632 -84.60487 1.42145 1.77300 -84.27915 369.31013
8305.0000 -85.62494 -83.75489 1.87005 1.79851 -84.00616 403.10223
8310.0000 -85.88610 -84.22219 1.66391 1.78133 -84.19002 389.65454
8315.0000 -86.11105 -84.20114 1.90990 1.77819 -84.22358 380.68268
8320.0000 -85.86795 -83.91657 1.95138 1.80582 -83.92796 409.13262
8325.0000 -85.80115 -83.80869 1.99246 1.81403 -83.84009 413.70198
8330.0000 -85.41111 -83.48155 1.92955 1.81482 -83.83167 421.03913
8335.0000 -86.05513 -83.68877 2.36636 1.81878 -83.78927 407.55762
8340.0000 -86.02617 -84.09973 1.92644 1.78352 -84.16656 384.46216
8345.0000 -85.86952 -84.16868 1.70084 1.79636 -84.02913 418.13683
8350.0000 -85.88496 -84.22154 1.66342 1.81721 -83.80611 431.74766
8355.0000 -85.95853 -84.27737 1.68117 1.77806 -84.22495 376.85484
8360.0000 -85.63033 -83.83932 1.79101 1.79047 -84.09222 396.31551
8365.0000 -86.23948 -84.47031 1.76917 1.79176 -84.07836 403.29215
8370.0000 -85.96246 -83.79871 2.16376 1.79718 -84.02035 404.80122
8375.0000 -85.55450 -83.69258 1.86192 1.79251 -84.07035 390.50686
8380.0000 -85.71180 -83.82920 1.88260 1.81383 -83.84227 426.75245
8385.0000 -85.73164 -83.85049 1.88116 1.79001 -84.09710 384.31252
8390.0000 -86.29503 -84.34126 1.95377 1.81504 -83.82930 429.35698
8395.0000 -86.48156 -84.98384 1.49772 1.75207 -84.50307 364.48534
8400.0000 -86.36881 -84.96180 1.40701 1.71593 -84.88973 329.26682
8405.0000 -85.45723 -83.77628 1.68095 1.74681 -84.55934 362.93532
8410.0000 -85.83613 -83.96261 1.87352 1.79891 -84.00191 395.76429
8415.0000 -85.68413 -84.16933 1.51480 1.79484 -84.04546 394.53081
8420.0000 -85.37336 -83.49142 1.88194 1.80850 -83.89928 411.15044
8425.0000 -85.88542 -84.21526 1.67016 1.82288 -83.74541 416.68690
8430.0000 -86.10998 -84.33812 1.77186 1.75646 -84.45607 350.14385
8435.0000 -85.57742 -83.73110 1.84632 1.79909 -83.99995 387.00440
8440.0000 -85.54388 -83.99502 1.54886 1.80301 -83.95807 386.13553
8445.0000 -85.45322 -83.40199 2.05123 1.83158 -83.65234 426.50536
8450.0000 -85.36811 -83.69834 1.66977 1.84638 -83.49392 447.68214
8455.0000 -85.97339 -83.87263 2.10075 1.80361 -83.95156 423.71590
8460.0000 -85.85565 -83.84290 2.01275 1.80287 -83.95950 422.27909
8465.0000 -85.81980 -83.98246 1.83734 1.82708 -83.70042 428.75748
8470.0000 -85.54239 -83.54503 1.99736 1.82030 -83.77298 399.13710
8475.0000 -86.43943 -84.19543 2.24400 1.79914 -83.99938 402.86720
8480.0000 -86.03028 -84.22462 1.80566 1.78126 -84.19075 392.21745
8485.0000 -86.17607 -84.53971 1.63636 1.75757 -84.44417 367.58413
8490.0000 -85.95143 -84.35233 1.59910 1.74838 -84.54251 362.13636
8495.0000 -86.02179 -83.78344 2.23835 1.80064 -83.98342 412.38789
8500.0000 -85.76498 -84.00164 1.76334 1.79909 -83.99997 402.67087
FREEZING PROCESS: loop number 35 T-loop= 366.00000000000000
main_MD> interactions number 35 at Temperature= 366.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80228 -1.02503 -0.06978
force_rgl> df(natom) -1.58180 -3.15165 0.86492
8505.0000 -85.66323 -83.71796 1.94527 1.82297 -83.74446 418.93999
8510.0000 -86.35905 -84.56092 1.79814 1.78998 -84.09744 384.08834
8515.0000 -85.80577 -84.47490 1.33088 1.74758 -84.55110 338.40164
8520.0000 -86.08841 -84.40630 1.68212 1.75839 -84.43549 364.25897
8525.0000 -85.77346 -84.34977 1.42369 1.76040 -84.41389 359.42220
8530.0000 -86.16919 -84.51450 1.65469 1.76626 -84.35128 383.50121
8535.0000 -86.20110 -84.12746 2.07364 1.75123 -84.51201 352.35229
8540.0000 -85.81970 -84.28969 1.53000 1.76948 -84.31673 381.40065
8545.0000 -85.68709 -84.20291 1.48418 1.79389 -84.05565 386.86800
8550.0000 -86.14223 -84.58264 1.55959 1.76062 -84.41159 354.07483
8555.0000 -85.98986 -84.26743 1.72244 1.75094 -84.51513 362.79988
8560.0000 -85.53340 -83.93476 1.59863 1.78880 -84.11007 390.18919
8565.0000 -86.02465 -84.31497 1.70968 1.78513 -84.14928 393.35565
8570.0000 -86.34811 -84.41987 1.92824 1.73997 -84.63256 352.73488
8575.0000 -85.96199 -84.57023 1.39176 1.75410 -84.48136 368.71414
8580.0000 -85.99370 -84.62432 1.36938 1.73400 -84.69641 340.11586
8585.0000 -85.38070 -83.70869 1.67201 1.79045 -84.09241 394.01575
8590.0000 -85.86460 -84.28705 1.57755 1.79559 -84.03744 411.20661
8595.0000 -85.89180 -84.15173 1.74007 1.79278 -84.06752 397.01008
8600.0000 -86.35433 -84.61243 1.74189 1.76519 -84.36267 380.96430
8605.0000 -85.92153 -84.35542 1.56611 1.75567 -84.46452 361.78073
8610.0000 -86.07825 -84.38271 1.69554 1.77940 -84.21069 384.73907
8615.0000 -85.73050 -84.02768 1.70282 1.76342 -84.38162 375.32530
8620.0000 -85.58774 -84.44301 1.14473 1.77543 -84.25311 377.83452
8625.0000 -86.57398 -84.50534 2.06864 1.74238 -84.60675 343.83299
8630.0000 -85.84986 -84.52228 1.32758 1.75279 -84.49537 358.93206
8635.0000 -86.15155 -84.57038 1.58117 1.75678 -84.45270 360.03401
8640.0000 -86.42677 -84.34208 2.08469 1.74953 -84.53025 355.55019
8645.0000 -86.06636 -83.94038 2.12598 1.76410 -84.37436 364.07295
8650.0000 -85.88258 -84.20403 1.67854 1.76996 -84.31165 371.89464
8655.0000 -86.09054 -84.49843 1.59212 1.75169 -84.50714 359.64442
8660.0000 -85.41701 -83.94192 1.47509 1.78986 -84.09874 394.44022
8665.0000 -86.02785 -84.09604 1.93181 1.80255 -83.96290 420.36277
8670.0000 -85.82417 -84.02857 1.79559 1.78052 -84.19868 390.94589
8675.0000 -86.26397 -84.32659 1.93738 1.78768 -84.12200 407.40899
8680.0000 -85.93997 -84.06757 1.87240 1.80271 -83.96125 418.42860
8685.0000 -85.76868 -84.21778 1.55090 1.77880 -84.21711 374.26467
8690.0000 -85.93915 -84.13584 1.80331 1.78236 -84.17897 373.33728
8695.0000 -85.92230 -84.44805 1.47425 1.76787 -84.33397 355.94923
8700.0000 -85.32872 -83.75290 1.57582 1.79440 -84.05017 404.92372
8705.0000 -86.23065 -83.86076 2.36989 1.79415 -84.05283 379.78549
8710.0000 -85.75300 -84.11449 1.63850 1.78892 -84.10882 393.11888
8715.0000 -85.66517 -83.87350 1.79167 1.77720 -84.23420 359.50875
8720.0000 -85.37189 -83.40974 1.96215 1.82490 -83.72376 421.53395
8725.0000 -86.34496 -84.65056 1.69440 1.78623 -84.13753 387.90146
8730.0000 -85.84137 -84.31026 1.53111 1.74562 -84.57213 341.10559
8735.0000 -85.62649 -83.84976 1.77673 1.78381 -84.16346 382.71756
8740.0000 -85.66130 -83.65284 2.00846 1.81044 -83.87848 410.20740
8745.0000 -85.86237 -84.17453 1.68785 1.80256 -83.96282 415.28926
8750.0000 -85.88608 -84.00631 1.87977 1.76553 -84.35902 354.74266
FREEZING PROCESS: loop number 36 T-loop= 341.00000000000000
main_MD> interactions number 36 at Temperature= 341.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.82786 0.84148 0.19753
force_rgl> df(natom) 1.96732 0.61989 2.34043
8755.0000 -85.84343 -84.48493 1.35850 1.79030 -84.09403 374.15788
8760.0000 -86.14781 -84.52403 1.62379 1.76241 -84.39243 369.37661
8765.0000 -86.09472 -84.57255 1.52217 1.75402 -84.48225 365.43894
8770.0000 -86.13894 -84.52862 1.61032 1.74424 -84.58685 346.26755
8775.0000 -86.49387 -84.95931 1.53457 1.72024 -84.84360 332.02090
8780.0000 -86.29706 -84.94137 1.35569 1.70715 -84.98373 306.92537
8785.0000 -86.25272 -84.69678 1.55594 1.72504 -84.79228 335.54754
8790.0000 -86.45501 -84.83040 1.62461 1.72575 -84.78466 336.41042
8795.0000 -86.14722 -84.53583 1.61139 1.73566 -84.67861 317.02743
8800.0000 -86.26525 -84.95659 1.30866 1.73584 -84.67677 312.12700
8805.0000 -85.99015 -84.39797 1.59219 1.74755 -84.55140 340.25494
8810.0000 -85.96681 -84.28918 1.67763 1.76517 -84.36290 355.37121
8815.0000 -86.37929 -84.90119 1.47810 1.74122 -84.61913 351.92393
8820.0000 -86.46624 -84.67692 1.78932 1.70336 -85.02423 313.96667
8825.0000 -86.48218 -84.83322 1.64896 1.74105 -84.62098 359.55685
8830.0000 -86.38608 -84.91123 1.47485 1.70900 -84.96394 314.63147
8835.0000 -86.42652 -84.81318 1.61334 1.71820 -84.86545 332.77896
8840.0000 -86.47949 -84.75254 1.72696 1.73426 -84.69360 350.67459
8845.0000 -86.40533 -84.45092 1.95441 1.75597 -84.46131 368.45287
8850.0000 -86.36644 -85.23296 1.13348 1.73140 -84.72421 338.46807
8855.0000 -86.63555 -85.23643 1.39912 1.68143 -85.25895 289.06452
8860.0000 -86.14796 -84.35900 1.78895 1.73382 -84.69831 343.05080
8865.0000 -86.50892 -85.03309 1.47583 1.73738 -84.66027 334.32145
8870.0000 -86.45745 -85.29021 1.16723 1.68917 -85.17609 295.96243
8875.0000 -86.54611 -84.65557 1.89054 1.71873 -84.85978 330.40910
8880.0000 -86.38563 -84.85403 1.53160 1.72375 -84.80607 338.22507
8885.0000 -86.03575 -84.09508 1.94067 1.74730 -84.55409 364.76875
8890.0000 -86.03179 -84.58065 1.45113 1.74832 -84.54321 366.20037
8895.0000 -86.50897 -84.76087 1.74811 1.72744 -84.76662 343.20282
8900.0000 -86.42900 -84.92647 1.50253 1.71458 -84.90418 320.82844
8905.0000 -86.75687 -85.24615 1.51072 1.70367 -85.02093 312.66216
8910.0000 -86.37685 -84.93807 1.43878 1.70374 -85.02020 314.74763
8915.0000 -86.26067 -84.68992 1.57075 1.73885 -84.64453 352.76829
8920.0000 -86.41616 -84.71987 1.69629 1.73281 -84.70913 345.03439
8925.0000 -86.36977 -84.89613 1.47364 1.71703 -84.87798 326.48731
8930.0000 -86.49911 -84.78929 1.70982 1.69964 -85.06408 314.39728
8935.0000 -86.36737 -84.52445 1.84292 1.72781 -84.76263 347.73953
8940.0000 -86.22924 -84.35946 1.86977 1.75813 -84.43824 365.91814
8945.0000 -86.03053 -84.35921 1.67133 1.76659 -84.34770 375.17076
8950.0000 -86.06360 -84.72602 1.33758 1.75838 -84.43556 351.77348
8955.0000 -86.16246 -84.74691 1.41555 1.72553 -84.78707 337.78606
8960.0000 -86.12711 -84.65882 1.46828 1.73545 -84.68089 340.27890
8965.0000 -86.06496 -84.55459 1.51037 1.73121 -84.72631 325.86757
8970.0000 -86.45123 -84.56911 1.88212 1.74553 -84.57300 344.46315
8975.0000 -86.33141 -84.59080 1.74061 1.72987 -84.74057 343.91548
8980.0000 -86.55788 -84.89129 1.66659 1.74237 -84.60684 363.99730
8985.0000 -86.22255 -84.69309 1.52946 1.74076 -84.62408 350.15531
8990.0000 -86.22683 -84.52067 1.70616 1.72534 -84.78912 338.27904
8995.0000 -86.35474 -84.75830 1.59643 1.74151 -84.61606 347.74078
9000.0000 -86.19149 -84.64233 1.54915 1.73396 -84.69682 336.11466
FREEZING PROCESS: loop number 37 T-loop= 316.00000000000000
main_MD> interactions number 37 at Temperature= 316.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09941 2.25593 0.01125
force_rgl> df(natom) -0.26237 1.28013 -2.22722
9005.0000 -86.00543 -84.79807 1.20736 1.74344 -84.59543 333.99278
9010.0000 -86.28590 -84.58188 1.70402 1.73354 -84.70130 333.41809
9015.0000 -85.96465 -84.59652 1.36813 1.77986 -84.20571 372.59546
9020.0000 -85.89019 -84.44870 1.44148 1.74212 -84.60949 322.51019
9025.0000 -86.54042 -85.03037 1.51006 1.72945 -84.74510 314.63644
9030.0000 -86.25086 -84.88867 1.36219 1.72865 -84.75363 335.45852
9035.0000 -86.32978 -84.85051 1.47927 1.72826 -84.75786 337.05527
9040.0000 -86.05707 -84.29933 1.75773 1.74792 -84.54753 348.59546
9045.0000 -86.21067 -84.55393 1.65673 1.74709 -84.55640 345.40993
9050.0000 -86.14028 -84.24703 1.89325 1.75126 -84.51175 366.23406
9055.0000 -86.40396 -85.27030 1.13366 1.72407 -84.80270 330.15383
9060.0000 -86.44770 -85.31712 1.13058 1.68796 -85.18901 298.77916
9065.0000 -86.16128 -84.96074 1.20054 1.69351 -85.12970 301.39108
9070.0000 -86.58261 -85.05251 1.53011 1.72227 -84.82190 341.48619
9075.0000 -86.72478 -85.04563 1.67914 1.70050 -85.05483 314.79367
9080.0000 -86.16004 -84.92665 1.23339 1.69593 -85.10377 295.72401
9085.0000 -86.70501 -84.99175 1.71326 1.71697 -84.87861 323.15120
9090.0000 -86.26467 -84.93825 1.32642 1.70504 -85.00629 323.31005
9095.0000 -86.15885 -84.93243 1.22642 1.72113 -84.83412 321.32343
9100.0000 -86.19987 -84.60481 1.59505 1.71900 -84.85694 316.82086
9105.0000 -86.30130 -84.83891 1.46239 1.72148 -84.83041 322.67643
9110.0000 -86.34327 -85.04012 1.30315 1.73363 -84.70035 329.54186
9115.0000 -86.03241 -84.57787 1.45454 1.70010 -85.05918 306.06240
9120.0000 -86.63848 -85.11225 1.52623 1.70681 -84.98729 316.35274
9125.0000 -86.34723 -85.11212 1.23510 1.69532 -85.11026 302.97165
9130.0000 -86.35771 -84.96781 1.38990 1.68773 -85.19145 290.97381
9135.0000 -86.48803 -84.73277 1.75525 1.72202 -84.82465 326.05113
9140.0000 -86.35754 -85.04377 1.31377 1.69920 -85.06877 305.88717
9145.0000 -86.61746 -85.39811 1.21935 1.70105 -85.04896 304.22988
9150.0000 -86.47095 -84.80963 1.66132 1.68382 -85.23335 291.48877
9155.0000 -85.75041 -84.04714 1.70327 1.75604 -84.46064 354.30128
9160.0000 -86.08856 -84.35381 1.73476 1.78287 -84.17350 398.91428
9165.0000 -86.63698 -85.39700 1.23999 1.73003 -84.73886 350.65827
9170.0000 -86.55062 -85.19305 1.35757 1.67226 -85.35704 273.36603
9175.0000 -86.21139 -85.22739 0.98400 1.69962 -85.06426 305.89713
9180.0000 -86.33803 -85.16873 1.16930 1.69068 -85.15992 291.78767
9185.0000 -86.42604 -85.02820 1.39783 1.69815 -85.08003 298.61842
9190.0000 -86.37883 -85.10984 1.26898 1.69134 -85.15283 296.87467
9195.0000 -86.35564 -84.90638 1.44926 1.72913 -84.74852 353.08096
9200.0000 -86.60257 -85.01394 1.58863 1.71192 -84.93263 320.90424
9205.0000 -86.48026 -84.89813 1.58213 1.71888 -84.85823 322.00803
9210.0000 -86.54241 -84.71941 1.82299 1.71085 -84.94413 327.10818
9215.0000 -86.30960 -84.74186 1.56773 1.72600 -84.78203 317.12236
9220.0000 -85.90926 -84.38107 1.52819 1.76708 -84.34245 369.95719
9225.0000 -86.26184 -85.13872 1.12312 1.74110 -84.62046 354.46940
9230.0000 -86.67280 -85.12037 1.55242 1.67686 -85.30783 291.89645
9235.0000 -86.13981 -84.66604 1.47378 1.72189 -84.82603 334.45086
9240.0000 -86.09199 -84.57597 1.51602 1.72659 -84.77568 333.09128
9245.0000 -86.31307 -84.82979 1.48328 1.72799 -84.76070 317.97028
9250.0000 -86.36398 -84.84264 1.52134 1.73451 -84.69093 324.37392
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 2.5077162 [s].
main_MD> Deallocating global variables
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