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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_18/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_18.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 = 18 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 18 1800
main_MD> Size of nv and nvoiz: 18 1800
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 = 18
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> -6.8845524145188283E-002 1.5802041308417988E-002 2.2150258155001268E-002 initial drift of cluster / NP1 for coalescence
init> 0.40300007812716898 0.35106254603535580 0.27492525996928968 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6393399734926703E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.15187 -2.90366 0.12007
force_rgl> df(natom) -2.97012 3.32002 1.08056
preparo> THERMALIZATION PROCESS AT 1148.2007479376628
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -35.903866453775478 2.4773449279442255 -38.381211381719702 5.9501423681766297E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1124.0000000000000
main_MD> interactions number 1 at Temperature= 1124.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76169 -3.03184 -2.11256
force_rgl> df(natom) 2.44234 2.55261 1.05907
5.0000 -40.66899 -38.77278 1.89621 2.29587 -37.33131 1027.71062
10.0000 -40.38680 -37.82270 2.56410 2.16710 -38.21571 951.21317
15.0000 -39.58080 -37.21325 2.36755 2.35708 -36.91092 1086.34110
20.0000 -39.27164 -36.93044 2.34120 2.27725 -37.45920 1023.70310
25.0000 -40.22006 -37.95714 2.26292 2.32927 -37.10192 1125.78596
30.0000 -39.21317 -37.16081 2.05236 2.36155 -36.88017 1085.17266
35.0000 -39.10707 -36.45303 2.65403 2.35677 -36.91302 1122.57927
40.0000 -40.49488 -38.35977 2.13511 2.22167 -37.84092 971.08092
45.0000 -39.70212 -37.77553 1.92658 2.21724 -37.87137 984.41825
50.0000 -38.46465 -36.81089 1.65376 2.33314 -37.07535 1038.20111
55.0000 -39.27273 -37.13358 2.13915 2.35764 -36.90704 1074.89660
60.0000 -39.67562 -37.45281 2.22281 2.31732 -37.18400 1040.39734
65.0000 -39.06871 -36.08534 2.98337 2.36016 -36.88972 1189.16027
70.0000 -39.95091 -36.97938 2.97152 2.41328 -36.52488 1136.47155
75.0000 -40.05304 -37.18102 2.87203 2.31249 -37.21713 995.64344
80.0000 -38.55528 -36.58198 1.97330 2.37710 -36.77338 1034.74481
85.0000 -39.67360 -36.78347 2.89013 2.38386 -36.72697 1146.75952
90.0000 -39.70814 -37.33517 2.37297 2.28363 -37.41541 1084.46173
95.0000 -39.34697 -37.30014 2.04684 2.37692 -36.77462 1093.78479
100.0000 -38.80471 -36.26681 2.53790 2.46126 -36.19534 1214.70584
105.0000 -39.81739 -36.78695 3.03044 2.37679 -36.77556 1168.60806
110.0000 -39.24262 -36.92934 2.31328 2.39943 -36.62001 1162.67720
115.0000 -39.89645 -37.61899 2.27747 2.30829 -37.24599 1072.88825
120.0000 -39.53242 -37.44769 2.08473 2.30732 -37.25267 1081.27205
125.0000 -39.30026 -37.17041 2.12985 2.36527 -36.85468 1084.07494
130.0000 -39.85168 -37.56221 2.28947 2.26638 -37.53386 958.80667
135.0000 -40.74909 -38.21383 2.53526 2.23060 -37.77961 1024.38590
140.0000 -40.22730 -37.00975 3.21755 2.29490 -37.33797 1071.62876
145.0000 -38.85185 -35.80573 3.04613 2.37595 -36.78133 1084.45057
150.0000 -39.22236 -36.50067 2.72169 2.47276 -36.11637 1283.45880
155.0000 -38.98329 -35.83188 3.15141 2.38879 -36.69309 1171.81777
160.0000 -38.74620 -35.83635 2.90985 2.53278 -35.70415 1315.81882
165.0000 -38.83164 -36.17245 2.65919 2.51593 -35.81987 1228.32502
170.0000 -39.49992 -37.92094 1.57898 2.34370 -37.00278 1092.17404
175.0000 -39.53249 -37.33726 2.19523 2.24899 -37.65326 1015.67479
180.0000 -39.74352 -36.14158 3.60193 2.38518 -36.71793 1086.44280
185.0000 -40.24194 -37.38356 2.85838 2.39434 -36.65497 1176.69841
190.0000 -38.97668 -36.10426 2.87242 2.35574 -36.92011 1145.57978
195.0000 -39.37185 -37.04681 2.32504 2.38176 -36.74137 1124.46473
200.0000 -39.51983 -37.02776 2.49207 2.33935 -37.03271 1026.04561
205.0000 -38.82004 -36.19823 2.62182 2.42015 -36.47772 1145.19087
210.0000 -38.28237 -34.96063 3.32174 2.54381 -35.62838 1245.18443
215.0000 -37.78942 -35.08426 2.70516 2.60020 -35.24112 1327.95763
220.0000 -38.26943 -35.26080 3.00863 2.57904 -35.38642 1294.29658
225.0000 -38.56711 -36.41407 2.15304 2.56881 -35.45669 1380.13884
230.0000 -40.82033 -37.84073 2.97960 2.34019 -37.02693 1085.94652
235.0000 -39.89203 -37.13921 2.75282 2.25466 -37.61437 1057.72218
240.0000 -39.09919 -36.92925 2.16993 2.36297 -36.87046 1047.23079
245.0000 -39.84549 -37.22098 2.62451 2.32275 -37.14669 1065.59835
250.0000 -38.47883 -35.87159 2.60724 2.41181 -36.53501 1201.17231
FREEZING PROCESS: loop number 2 T-loop= 1099.0000000000000
main_MD> interactions number 2 at Temperature= 1099.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.39739 3.08111 1.45975
force_rgl> df(natom) -0.94374 -3.26940 -1.78246
255.0000 -39.39429 -36.89847 2.49582 2.48034 -36.06430 1235.50868
260.0000 -38.98929 -36.19299 2.79630 2.34091 -37.02194 1083.55313
265.0000 -38.36140 -35.41062 2.95078 2.52758 -35.73983 1282.72886
270.0000 -39.92869 -37.68040 2.24829 2.41528 -36.51117 1210.77520
275.0000 -40.04374 -36.95222 3.09153 2.31943 -37.16950 1124.69905
280.0000 -39.28432 -36.70332 2.58100 2.37514 -36.78687 1175.67352
285.0000 -38.29329 -35.81550 2.47779 2.49279 -35.97879 1299.91122
290.0000 -38.99504 -36.27013 2.72491 2.45774 -36.21956 1193.46355
295.0000 -39.54856 -37.55270 1.99586 2.37897 -36.76058 1058.24046
300.0000 -38.82287 -36.02997 2.79290 2.38389 -36.72676 1120.56493
305.0000 -39.35618 -36.18779 3.16840 2.38230 -36.73766 1065.59430
310.0000 -39.79640 -37.82989 1.96651 2.26039 -37.57497 1021.90881
315.0000 -40.28340 -38.48586 1.79754 2.16959 -38.19865 867.41717
320.0000 -39.82531 -38.35898 1.46633 2.15162 -38.32206 834.29239
325.0000 -40.05096 -37.49249 2.55847 2.16846 -38.20638 906.03793
330.0000 -40.19820 -37.89266 2.30553 2.24788 -37.66089 1020.84717
335.0000 -39.80879 -37.18057 2.62821 2.33542 -37.05968 1120.87478
340.0000 -39.67684 -37.44794 2.22891 2.30967 -37.23652 1056.87020
345.0000 -39.06384 -35.93166 3.13219 2.36729 -36.84079 1199.56430
350.0000 -39.56287 -36.26638 3.29649 2.44026 -36.33958 1219.93389
355.0000 -39.21969 -36.66898 2.55071 2.39671 -36.63873 1182.71382
360.0000 -38.19388 -35.86512 2.32875 2.45141 -36.26303 1171.62133
365.0000 -39.43157 -36.98143 2.45014 2.47637 -36.09161 1253.46710
370.0000 -40.42983 -37.31823 3.11160 2.29995 -37.30328 1088.44065
375.0000 -39.62715 -37.34709 2.28006 2.22231 -37.83657 1019.44460
380.0000 -38.99765 -36.63939 2.35825 2.37805 -36.76690 1079.88325
385.0000 -39.40192 -36.63029 2.77163 2.41225 -36.53195 1211.66425
390.0000 -40.24458 -37.35118 2.89340 2.34055 -37.02444 1145.98637
395.0000 -40.46996 -37.89283 2.57714 2.25932 -37.58235 1072.92575
400.0000 -39.97242 -37.77060 2.20182 2.23380 -37.75765 969.75085
405.0000 -39.64203 -37.16474 2.47729 2.38411 -36.72525 1122.10852
410.0000 -39.64376 -37.48432 2.15944 2.32528 -37.12931 1044.80694
415.0000 -40.74052 -37.60420 3.13632 2.26090 -37.57147 1022.06892
420.0000 -39.93759 -37.96285 1.97475 2.23386 -37.75719 1029.99463
425.0000 -40.60538 -38.51646 2.08891 2.10401 -38.64904 871.69070
430.0000 -39.80726 -38.30439 1.50287 2.12271 -38.52064 886.96534
435.0000 -40.32413 -37.51480 2.80933 2.21037 -37.91853 950.91875
440.0000 -39.84151 -36.40780 3.43371 2.37714 -36.77312 1207.38931
445.0000 -38.80385 -36.39650 2.40735 2.45610 -36.23082 1162.77564
450.0000 -39.22631 -36.83098 2.39533 2.41067 -36.54285 1139.33388
455.0000 -39.87925 -37.46376 2.41549 2.28592 -37.39966 982.34746
460.0000 -40.28838 -37.80506 2.48332 2.29860 -37.31257 1075.39367
465.0000 -40.02482 -37.26525 2.75957 2.23863 -37.72445 1028.88119
470.0000 -39.34645 -35.76848 3.57797 2.34131 -37.01923 1113.60357
475.0000 -38.23606 -35.31880 2.91727 2.52092 -35.78559 1301.24073
480.0000 -39.05692 -36.35669 2.70023 2.52796 -35.73728 1232.09877
485.0000 -38.64791 -36.15060 2.49730 2.43491 -36.37637 1169.60133
490.0000 -39.18642 -37.10754 2.07889 2.44186 -36.32864 1222.85156
495.0000 -40.48729 -38.19226 2.29503 2.29280 -37.35240 1004.44861
500.0000 -40.47897 -37.88762 2.59135 2.18270 -38.10858 935.73311
FREEZING PROCESS: loop number 3 T-loop= 1074.0000000000000
main_MD> interactions number 3 at Temperature= 1074.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.79341 -0.83585 1.54086
force_rgl> df(natom) 2.61862 -1.02117 -2.33608
505.0000 -40.18243 -37.98355 2.19888 2.25107 -37.63899 1048.78694
510.0000 -40.12191 -37.46883 2.65308 2.26454 -37.54652 977.09632
515.0000 -39.81964 -37.42271 2.39693 2.22888 -37.79140 1057.91522
520.0000 -39.59102 -36.69793 2.89308 2.27527 -37.47281 1034.13965
525.0000 -39.26673 -36.15835 3.10838 2.41060 -36.54330 1248.93216
530.0000 -40.15549 -37.10438 3.05111 2.33632 -37.05347 1134.20005
535.0000 -39.97501 -36.83046 3.14454 2.28834 -37.38304 1073.44353
540.0000 -39.66420 -37.85854 1.80566 2.29811 -37.31592 997.42029
545.0000 -40.08071 -37.79492 2.28579 2.26130 -37.56872 993.24614
550.0000 -38.97739 -36.17032 2.80707 2.31334 -37.21131 1064.19691
555.0000 -40.27976 -37.63151 2.64824 2.37617 -36.77982 1116.25496
560.0000 -39.22077 -37.08969 2.13109 2.36106 -36.88358 1084.80600
565.0000 -40.30690 -37.83745 2.46945 2.22805 -37.79713 995.56036
570.0000 -39.93877 -37.36408 2.57468 2.26104 -37.57054 1021.36351
575.0000 -40.54005 -37.77630 2.76375 2.30380 -37.27686 1062.07205
580.0000 -39.93636 -37.58141 2.35495 2.25584 -37.60622 1034.74687
585.0000 -40.45510 -38.35562 2.09948 2.17515 -38.16048 924.41599
590.0000 -39.90764 -37.49903 2.40861 2.23893 -37.72240 990.84948
595.0000 -39.37876 -37.32288 2.05588 2.30017 -37.30178 1066.61385
600.0000 -40.15642 -38.30811 1.84831 2.14771 -38.34894 813.94435
605.0000 -40.68398 -37.96417 2.71981 2.19462 -38.02673 962.38294
610.0000 -40.43969 -37.80141 2.63828 2.18296 -38.10681 949.42938
615.0000 -40.34697 -37.56425 2.78272 2.32093 -37.15919 1099.71195
620.0000 -39.58560 -36.78982 2.79578 2.33413 -37.06851 1116.37148
625.0000 -41.05279 -38.26842 2.78437 2.31985 -37.16662 1120.83453
630.0000 -40.10827 -37.34396 2.76432 2.22948 -37.78731 977.48579
635.0000 -38.84469 -36.30888 2.53581 2.35734 -36.90909 1032.05184
640.0000 -38.54895 -35.96546 2.58349 2.46179 -36.19174 1195.23725
645.0000 -39.76833 -36.81267 2.95566 2.51452 -35.82955 1257.49799
650.0000 -39.72748 -36.49906 3.22842 2.39033 -36.68252 1157.64254
655.0000 -38.72641 -36.52671 2.19971 2.49540 -35.96085 1325.92631
660.0000 -39.58616 -36.75023 2.83593 2.42100 -36.47191 1133.79896
665.0000 -39.75503 -37.47110 2.28393 2.37970 -36.75552 1203.56160
670.0000 -40.88382 -38.31811 2.56571 2.17982 -38.12836 874.22882
675.0000 -40.75609 -38.83079 1.92530 2.04794 -39.03415 821.16174
680.0000 -40.50806 -38.27910 2.22895 2.13065 -38.46610 897.17779
685.0000 -39.71723 -36.55183 3.16540 2.25870 -37.58660 1056.47704
690.0000 -38.66735 -35.99615 2.67120 2.40630 -36.57285 1176.02814
695.0000 -39.41278 -35.94931 3.46347 2.47319 -36.11340 1239.73894
700.0000 -40.50783 -36.88245 3.62538 2.41092 -36.54113 1275.30469
705.0000 -40.35110 -37.29103 3.06007 2.38898 -36.69181 1242.07994
710.0000 -39.48796 -36.36399 3.12397 2.32843 -37.10770 1012.27739
715.0000 -39.48772 -37.43438 2.05334 2.34003 -37.02802 1099.53667
720.0000 -39.71525 -37.68474 2.03052 2.23026 -37.78196 993.06074
725.0000 -39.25836 -36.39425 2.86411 2.30078 -37.29757 1069.58934
730.0000 -39.45079 -37.17744 2.27335 2.36542 -36.85361 1059.78193
735.0000 -39.27226 -37.24195 2.03032 2.28543 -37.40298 1035.28684
740.0000 -39.99151 -37.75921 2.23230 2.26641 -37.53364 1018.02560
745.0000 -39.68459 -37.23238 2.45221 2.24638 -37.67124 987.62082
750.0000 -39.19192 -37.01828 2.17364 2.31073 -37.22925 1057.28028
FREEZING PROCESS: loop number 4 T-loop= 1049.0000000000000
main_MD> interactions number 4 at Temperature= 1049.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33409 0.04878 1.64835
force_rgl> df(natom) -4.06655 -0.02514 -3.68712
755.0000 -40.36716 -38.00658 2.36057 2.26867 -37.51815 1049.73245
760.0000 -39.96592 -37.44670 2.51922 2.19367 -38.03323 983.81799
765.0000 -39.57903 -36.56326 3.01577 2.40540 -36.57903 1158.80758
770.0000 -38.17264 -35.91756 2.25509 2.49621 -35.95530 1163.69052
775.0000 -38.63086 -34.85597 3.77489 2.52564 -35.75319 1276.36917
780.0000 -39.93424 -37.12979 2.80444 2.43679 -36.36345 1319.48692
785.0000 -39.73225 -37.01620 2.71605 2.44195 -36.32800 1240.60615
790.0000 -40.35778 -37.98226 2.37551 2.25037 -37.64383 1054.78013
795.0000 -40.27864 -38.27187 2.00677 2.16992 -38.19640 911.05878
800.0000 -40.48120 -38.22347 2.25773 2.17166 -38.18439 927.57624
805.0000 -40.26880 -38.26645 2.00234 2.17500 -38.16147 992.97824
810.0000 -40.21091 -37.92964 2.28127 2.24517 -37.67953 994.58252
815.0000 -40.33827 -37.91164 2.42663 2.28135 -37.43103 1058.59566
820.0000 -40.32290 -38.36698 1.95592 2.17394 -38.16873 919.81508
825.0000 -39.83622 -37.62606 2.21016 2.14958 -38.33608 900.22157
830.0000 -40.06851 -37.13991 2.92861 2.28048 -37.43704 1067.50980
835.0000 -39.94432 -37.23318 2.71114 2.30573 -37.26362 1032.96298
840.0000 -38.97096 -36.66913 2.30183 2.38896 -36.69194 1198.21721
845.0000 -40.33795 -37.89068 2.44727 2.28132 -37.43124 1031.53101
850.0000 -40.14425 -37.19367 2.95058 2.36350 -36.86681 1165.96705
855.0000 -39.44075 -37.00470 2.43605 2.31240 -37.21780 1098.15650
860.0000 -40.19751 -37.41527 2.78223 2.32082 -37.15994 1085.72788
865.0000 -40.06936 -37.57604 2.49332 2.31020 -37.23288 1063.85723
870.0000 -40.00235 -37.74021 2.26215 2.30640 -37.25898 1058.84684
875.0000 -40.85726 -37.64283 3.21443 2.20970 -37.92314 1017.88518
880.0000 -39.42766 -37.39994 2.02771 2.30123 -37.29451 1077.82726
885.0000 -40.02249 -37.49012 2.53237 2.27967 -37.44257 1080.96340
890.0000 -40.23067 -37.91649 2.31418 2.19360 -38.03372 926.88823
895.0000 -39.44346 -36.16194 3.28153 2.35592 -36.91890 1118.57866
900.0000 -40.09621 -37.52491 2.57130 2.32540 -37.12846 1091.85157
905.0000 -39.84672 -36.93505 2.91167 2.37700 -36.77409 1223.99441
910.0000 -39.78541 -37.19671 2.58870 2.38306 -36.73247 1119.57325
915.0000 -39.81851 -37.58568 2.23283 2.28687 -37.39309 1075.13564
920.0000 -39.47172 -37.23991 2.23181 2.30304 -37.28208 1088.56808
925.0000 -40.08153 -37.59400 2.48753 2.23256 -37.76613 1001.66006
930.0000 -40.28476 -36.93693 3.34783 2.28488 -37.40678 1077.78334
935.0000 -39.10555 -36.52735 2.57820 2.40789 -36.56192 1101.46681
940.0000 -39.88905 -37.37466 2.51439 2.26418 -37.54899 999.82282
945.0000 -40.30984 -38.11175 2.19809 2.22935 -37.78816 1027.45118
950.0000 -39.81706 -36.97782 2.83924 2.26628 -37.53452 1062.55573
955.0000 -38.94887 -36.30456 2.64430 2.43212 -36.39553 1232.53255
960.0000 -39.17805 -37.12758 2.05046 2.39740 -36.63394 1134.75331
965.0000 -39.54584 -37.00374 2.54211 2.25096 -37.63975 996.26869
970.0000 -40.07090 -38.27396 1.79694 2.28810 -37.38468 1019.61785
975.0000 -40.85014 -37.72735 3.12279 2.19392 -38.03156 1006.14273
980.0000 -40.17159 -38.28021 1.89138 2.29902 -37.30965 1072.53246
985.0000 -40.92191 -38.95410 1.96781 2.08458 -38.78248 851.89081
990.0000 -40.09013 -38.13189 1.95824 2.10923 -38.61320 832.37176
995.0000 -39.50416 -36.61481 2.88935 2.30963 -37.23682 1040.28466
1000.0000 -39.57712 -36.90632 2.67080 2.36250 -36.87368 1076.29108
FREEZING PROCESS: loop number 5 T-loop= 1024.0000000000000
main_MD> interactions number 5 at Temperature= 1024.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01851 -2.71887 0.95036
force_rgl> df(natom) -4.24797 2.41675 -0.31118
1005.0000 -38.91892 -36.99513 1.92379 2.38949 -36.68828 1144.39822
1010.0000 -39.54772 -37.34635 2.20137 2.32146 -37.15555 1000.96061
1015.0000 -39.84796 -37.39530 2.45266 2.36729 -36.84074 1096.81145
1020.0000 -39.25320 -37.33412 1.91908 2.29090 -37.36541 985.93955
1025.0000 -39.42887 -38.25796 1.17091 2.29062 -37.36735 1077.77728
1030.0000 -39.77600 -37.86797 1.90803 2.23835 -37.72640 904.40249
1035.0000 -40.62904 -38.27654 2.35250 2.16294 -38.24433 964.15030
1040.0000 -39.47267 -37.42186 2.05081 2.17874 -38.13577 910.61846
1045.0000 -40.24935 -38.49147 1.75788 2.20315 -37.96811 1015.10334
1050.0000 -39.75883 -37.57491 2.18392 2.22329 -37.82980 1024.63378
1055.0000 -38.65397 -34.89558 3.75839 2.36684 -36.84386 1102.87120
1060.0000 -39.52027 -35.94080 3.57947 2.60974 -35.17556 1346.95828
1065.0000 -39.49123 -36.41250 3.07873 2.55315 -35.56425 1260.94815
1070.0000 -40.37390 -36.90421 3.46969 2.37841 -36.76443 1158.15794
1075.0000 -39.55541 -36.79136 2.76405 2.40670 -36.57011 1233.02882
1080.0000 -38.91847 -36.70482 2.21365 2.30827 -37.24612 1041.31015
1085.0000 -39.04240 -37.17458 1.86783 2.27571 -37.46975 999.21702
1090.0000 -40.08321 -37.95388 2.12933 2.27135 -37.49975 1022.46641
1095.0000 -40.91598 -38.90340 2.01258 2.20938 -37.92535 915.34709
1100.0000 -40.12100 -38.03011 2.09090 2.18917 -38.06412 977.31348
1105.0000 -39.76853 -37.88395 1.88458 2.15890 -38.27203 890.75033
1110.0000 -39.17375 -37.20836 1.96539 2.27796 -37.45434 955.63436
1115.0000 -40.77566 -38.06485 2.71081 2.18039 -38.12443 946.05883
1120.0000 -41.40316 -39.31527 2.08789 2.08561 -38.77545 856.42381
1125.0000 -39.85310 -38.06471 1.78840 2.06725 -38.90155 792.45999
1130.0000 -40.44310 -38.43177 2.01133 2.12887 -38.47833 879.64146
1135.0000 -39.90645 -38.12133 1.78512 2.18711 -38.07831 909.11582
1140.0000 -40.77308 -38.20809 2.56499 2.24115 -37.70712 1065.49448
1145.0000 -40.37840 -38.12892 2.24948 2.16778 -38.21105 925.21204
1150.0000 -40.10724 -37.53576 2.57148 2.23743 -37.73267 1002.92261
1155.0000 -40.13679 -37.40742 2.72937 2.23263 -37.76566 995.88807
1160.0000 -39.29453 -36.78030 2.51422 2.31830 -37.17726 1073.92470
1165.0000 -40.15899 -37.81711 2.34189 2.29235 -37.35550 990.95121
1170.0000 -39.22046 -37.44785 1.77260 2.32751 -37.11399 1017.96935
1175.0000 -39.60641 -37.42494 2.18147 2.28961 -37.37431 1097.37021
1180.0000 -40.13677 -37.72284 2.41394 2.20674 -37.94347 990.46239
1185.0000 -40.63466 -38.49854 2.13613 2.18397 -38.09988 960.84920
1190.0000 -40.29640 -38.44192 1.85448 2.13523 -38.43461 927.94303
1195.0000 -39.33320 -37.11351 2.21970 2.15591 -38.29256 927.82908
1200.0000 -39.55965 -37.15380 2.40586 2.39355 -36.66038 1105.97496
1205.0000 -39.61938 -36.53977 3.07960 2.38494 -36.71957 1134.70503
1210.0000 -39.32895 -37.25460 2.07435 2.36771 -36.83791 1164.99510
1215.0000 -40.40231 -36.24094 4.16137 2.38736 -36.70291 1164.23982
1220.0000 -39.05824 -36.05249 3.00575 2.43815 -36.35411 1369.14677
1225.0000 -40.29005 -38.03996 2.25009 2.32857 -37.10671 1056.17114
1230.0000 -40.79084 -38.23576 2.55508 2.17106 -38.18856 845.74857
1235.0000 -40.64263 -38.20162 2.44100 2.15883 -38.27251 930.23683
1240.0000 -39.94113 -37.29756 2.64357 2.23216 -37.76892 1014.97010
1245.0000 -40.35279 -37.90471 2.44808 2.23202 -37.76982 1057.41553
1250.0000 -40.17219 -37.84555 2.32664 2.25341 -37.62293 1020.40916
FREEZING PROCESS: loop number 6 T-loop= 999.00000000000000
main_MD> interactions number 6 at Temperature= 999.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.71049 -3.41690 -0.51428
force_rgl> df(natom) -2.42198 -0.29253 0.11258
1255.0000 -39.30492 -37.45901 1.84591 2.30371 -37.27749 1047.08570
1260.0000 -39.73104 -37.28416 2.44687 2.28304 -37.41943 1011.10450
1265.0000 -39.53655 -37.21393 2.32262 2.27589 -37.46852 1026.71261
1270.0000 -40.64052 -38.71246 1.92806 2.28445 -37.40971 1039.97173
1275.0000 -40.43094 -38.42300 2.00794 2.17883 -38.13514 927.58801
1280.0000 -39.54497 -37.32077 2.22421 2.20717 -37.94051 982.71770
1285.0000 -39.67583 -36.91919 2.75665 2.29621 -37.32895 1040.71614
1290.0000 -39.75672 -36.65698 3.09975 2.32165 -37.15426 1088.79405
1295.0000 -39.29369 -36.91040 2.38329 2.36587 -36.85050 1130.10668
1300.0000 -39.63278 -38.05370 1.57908 2.22834 -37.79511 980.41251
1305.0000 -40.37249 -38.20381 2.16868 2.21446 -37.89045 1002.12074
1310.0000 -39.52881 -36.84515 2.68367 2.23983 -37.71620 1027.24972
1315.0000 -39.56965 -36.93747 2.63219 2.33416 -37.06831 1124.98405
1320.0000 -40.61464 -38.50307 2.11157 2.17701 -38.14769 969.03929
1325.0000 -40.64573 -38.01393 2.63180 2.08236 -38.79776 843.65642
1330.0000 -39.71269 -36.59985 3.11284 2.23068 -37.77907 984.21524
1335.0000 -39.82061 -36.84068 2.97993 2.36553 -36.85284 1203.28086
1340.0000 -39.77785 -37.46043 2.31742 2.33846 -37.03879 1082.00488
1345.0000 -40.51662 -38.19756 2.31906 2.27019 -37.50767 1009.68897
1350.0000 -39.93729 -37.50313 2.43416 2.20147 -37.97966 966.34999
1355.0000 -39.64736 -37.59217 2.05519 2.24912 -37.65240 1027.52907
1360.0000 -40.80137 -38.89860 1.90277 2.13981 -38.40316 867.31676
1365.0000 -40.19295 -37.96746 2.22549 2.22318 -37.83059 981.71115
1370.0000 -40.09937 -38.24800 1.85138 2.16459 -38.23296 907.09281
1375.0000 -39.72809 -36.91742 2.81067 2.26090 -37.57151 974.36982
1380.0000 -40.51957 -37.66961 2.84996 2.28009 -37.43966 1070.49623
1385.0000 -40.07343 -37.50425 2.56919 2.26474 -37.54513 987.16791
1390.0000 -40.06485 -37.70975 2.35510 2.22730 -37.80224 963.55873
1395.0000 -39.15813 -36.99284 2.16529 2.34248 -37.01119 1136.93075
1400.0000 -39.99465 -37.55725 2.43740 2.27243 -37.49231 1047.51087
1405.0000 -39.49093 -37.97609 1.51485 2.23219 -37.76870 981.70357
1410.0000 -39.09151 -36.88990 2.20160 2.27278 -37.48990 1059.92075
1415.0000 -38.30688 -36.30451 2.00237 2.41822 -36.49096 1111.98067
1420.0000 -39.46537 -37.25037 2.21500 2.42932 -36.41475 1133.52970
1425.0000 -38.87636 -36.10525 2.77110 2.32772 -37.11252 1130.52867
1430.0000 -39.55428 -37.09779 2.45649 2.39755 -36.63294 1201.34958
1435.0000 -40.68892 -38.35829 2.33063 2.29716 -37.32243 1192.02096
1440.0000 -40.96344 -39.17619 1.78725 2.06787 -38.89729 818.21683
1445.0000 -41.07219 -39.41864 1.65355 1.97397 -39.54220 714.32971
1450.0000 -40.71958 -37.40714 3.31244 2.14904 -38.33979 898.00593
1455.0000 -40.30933 -38.01343 2.29590 2.31148 -37.22410 1087.47076
1460.0000 -40.52977 -37.65688 2.87289 2.21252 -37.90377 954.22939
1465.0000 -39.54989 -37.17241 2.37749 2.29713 -37.32268 1038.90534
1470.0000 -38.59303 -36.11539 2.47764 2.40950 -36.55085 1135.11344
1475.0000 -39.05230 -36.55975 2.49255 2.43718 -36.36073 1151.23531
1480.0000 -40.53886 -36.98454 3.55432 2.37215 -36.80743 1195.89443
1485.0000 -39.92470 -37.99460 1.93010 2.28255 -37.42281 1056.13077
1490.0000 -40.43676 -39.11600 1.32076 2.14409 -38.37381 805.00792
1495.0000 -40.58281 -38.47984 2.10297 2.11071 -38.60301 769.10744
1500.0000 -40.03556 -37.60742 2.42814 2.17750 -38.14431 966.50576
FREEZING PROCESS: loop number 7 T-loop= 974.00000000000000
main_MD> interactions number 7 at Temperature= 974.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.77775 3.39793 -4.57036
force_rgl> df(natom) 1.22265 2.18555 -4.62402
1505.0000 -39.10103 -37.05511 2.04592 2.20717 -37.94052 945.49753
1510.0000 -39.78349 -37.91712 1.86637 2.27350 -37.48493 1035.80393
1515.0000 -41.01032 -38.72339 2.28693 2.16748 -38.21312 869.52737
1520.0000 -40.20940 -38.06825 2.14115 2.15634 -38.28967 897.27210
1525.0000 -39.95546 -38.34515 1.61031 2.12286 -38.51957 879.12720
1530.0000 -39.75447 -37.46115 2.29332 2.21801 -37.86607 983.03482
1535.0000 -39.24804 -37.05638 2.19166 2.28640 -37.39635 996.87631
1540.0000 -39.83955 -37.35231 2.48724 2.25646 -37.60196 1076.30860
1545.0000 -40.03401 -38.40327 1.63074 2.19774 -38.00530 944.11647
1550.0000 -40.39617 -37.36546 3.03071 2.25596 -37.60543 1031.50615
1555.0000 -40.11281 -38.52142 1.59139 2.24672 -37.66886 987.82613
1560.0000 -40.41473 -38.22093 2.19380 2.09151 -38.73494 813.29946
1565.0000 -40.47907 -38.73366 1.74542 2.14879 -38.34153 872.15891
1570.0000 -40.00854 -38.32181 1.68673 2.11183 -38.59533 888.84686
1575.0000 -39.91698 -37.65421 2.26277 2.19171 -38.04671 993.19941
1580.0000 -40.34488 -38.14768 2.19720 2.19897 -37.99683 982.91872
1585.0000 -40.04114 -37.76069 2.28045 2.16596 -38.22357 892.66279
1590.0000 -40.58279 -38.77297 1.80982 2.14563 -38.36322 867.96562
1595.0000 -40.64183 -37.93301 2.70882 2.12184 -38.52659 798.53456
1600.0000 -39.79291 -37.28577 2.50714 2.25581 -37.60646 1023.39390
1605.0000 -39.92146 -37.02622 2.89524 2.22773 -37.79931 963.03850
1610.0000 -40.08156 -37.72889 2.35267 2.28726 -37.39042 1111.26534
1615.0000 -40.18970 -37.60105 2.58865 2.28700 -37.39221 1069.86211
1620.0000 -40.10593 -38.23007 1.87585 2.19512 -38.02327 913.52507
1625.0000 -40.14547 -38.23225 1.91322 2.17982 -38.12837 949.34219
1630.0000 -40.39750 -38.12382 2.27368 2.15098 -38.32642 911.62027
1635.0000 -40.31256 -38.32147 1.99108 2.18536 -38.09035 998.77877
1640.0000 -39.53093 -37.66335 1.86758 2.22976 -37.78535 943.21656
1645.0000 -39.85833 -38.33272 1.52562 2.15756 -38.28128 886.47355
1650.0000 -40.40645 -38.41023 1.99622 2.05196 -39.00654 754.19106
1655.0000 -41.02404 -39.10337 1.92067 2.04820 -39.03238 762.78559
1660.0000 -40.87815 -39.06898 1.80917 1.99732 -39.38182 761.30622
1665.0000 -40.22267 -37.82280 2.39987 2.15688 -38.28593 961.24475
1670.0000 -40.14950 -38.35862 1.79088 2.23092 -37.77741 1016.37398
1675.0000 -39.87188 -36.75077 3.12110 2.34354 -37.00390 1156.74384
1680.0000 -39.81404 -37.93106 1.88298 2.30325 -37.28060 1088.63260
1685.0000 -39.90310 -37.90595 1.99716 2.19430 -38.02890 924.58641
1690.0000 -40.59490 -38.75461 1.84029 2.16131 -38.25551 891.51996
1695.0000 -40.61332 -38.30943 2.30389 2.12831 -38.48216 863.05967
1700.0000 -40.98660 -38.62380 2.36279 2.18794 -38.07262 925.36670
1705.0000 -40.84794 -39.03643 1.81151 2.07919 -38.81954 904.38280
1710.0000 -39.96923 -38.40248 1.56675 2.14748 -38.35052 899.99530
1715.0000 -39.88909 -38.19615 1.69294 2.19101 -38.05155 944.29112
1720.0000 -39.28406 -37.63066 1.65340 2.23723 -37.73409 928.77177
1725.0000 -39.60581 -37.76883 1.83698 2.22509 -37.81745 964.36945
1730.0000 -39.50894 -37.61260 1.89634 2.23221 -37.76857 987.80736
1735.0000 -39.56209 -37.59680 1.96529 2.26450 -37.54680 935.23734
1740.0000 -39.93395 -37.82440 2.10955 2.23689 -37.73643 997.25550
1745.0000 -39.91328 -38.23900 1.67429 2.24283 -37.69561 995.85882
1750.0000 -41.20860 -38.61941 2.58919 2.04745 -39.03750 737.38134
FREEZING PROCESS: loop number 8 T-loop= 949.00000000000000
main_MD> interactions number 8 at Temperature= 949.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48467 1.49950 -5.05182
force_rgl> df(natom) -0.81311 1.55492 4.22529
1755.0000 -40.04737 -38.39276 1.65461 2.07456 -38.85132 861.41497
1760.0000 -41.33858 -39.14944 2.18914 2.10456 -38.64529 888.69228
1765.0000 -40.84393 -39.03206 1.81187 2.03501 -39.12297 742.52529
1770.0000 -40.61368 -38.63475 1.97893 2.08138 -38.80446 876.55957
1775.0000 -40.49573 -38.46347 2.03226 2.09290 -38.72539 812.20306
1780.0000 -40.34250 -37.76540 2.57710 2.17589 -38.15536 875.75036
1785.0000 -40.91346 -38.28153 2.63193 2.10946 -38.61159 869.48106
1790.0000 -40.06770 -37.92893 2.13878 2.18426 -38.09788 921.18867
1795.0000 -40.20448 -37.99224 2.21225 2.20866 -37.93028 942.58896
1800.0000 -40.29213 -38.30040 1.99173 2.11850 -38.54952 848.53388
1805.0000 -41.02386 -38.52690 2.49696 2.13022 -38.46904 911.24402
1810.0000 -40.50702 -38.90546 1.60156 2.06638 -38.90753 791.81511
1815.0000 -39.49421 -37.50265 1.99156 2.14322 -38.37978 821.92020
1820.0000 -39.69302 -37.20062 2.49239 2.25722 -37.59676 973.85235
1825.0000 -39.11779 -37.18927 1.92852 2.31893 -37.17291 1076.22049
1830.0000 -39.83031 -37.14369 2.68662 2.30586 -37.26271 930.12931
1835.0000 -40.07367 -37.90525 2.16842 2.24852 -37.65655 953.97436
1840.0000 -40.21277 -38.12213 2.09064 2.19076 -38.05322 969.80435
1845.0000 -39.84086 -37.31781 2.52304 2.27083 -37.50328 972.95271
1850.0000 -40.16309 -37.70806 2.45503 2.27519 -37.47335 1014.88915
1855.0000 -39.69165 -37.72607 1.96557 2.19949 -37.99330 952.14801
1860.0000 -40.20752 -37.96226 2.24526 2.16134 -38.25528 910.76299
1865.0000 -40.18288 -38.26675 1.91613 2.19531 -38.02196 948.04830
1870.0000 -40.49642 -38.10548 2.39094 2.14024 -38.40020 866.91445
1875.0000 -40.07847 -38.93036 1.14811 2.14645 -38.35759 895.44743
1880.0000 -40.15877 -38.16307 1.99570 2.09614 -38.70312 796.40363
1885.0000 -40.17588 -37.41359 2.76228 2.24174 -37.70307 1043.76285
1890.0000 -40.24585 -38.10215 2.14370 2.17269 -38.17733 918.09927
1895.0000 -40.96753 -39.12644 1.84108 2.12983 -38.47173 915.43660
1900.0000 -40.49292 -38.68595 1.80697 2.09719 -38.69593 862.41315
1905.0000 -40.34936 -37.97406 2.37530 2.18591 -38.08655 985.39971
1910.0000 -40.93920 -39.35479 1.58441 2.12686 -38.49210 840.80457
1915.0000 -40.97856 -39.19644 1.78213 2.00213 -39.34880 692.67122
1920.0000 -40.58123 -38.66112 1.92011 2.02402 -39.19845 782.78238
1925.0000 -40.51248 -38.74492 1.76756 2.08609 -38.77216 808.68380
1930.0000 -40.79704 -38.41440 2.38264 2.11870 -38.54813 881.98805
1935.0000 -40.64162 -38.77030 1.87132 2.08502 -38.77947 788.72659
1940.0000 -40.49778 -37.94955 2.54823 2.14119 -38.39369 946.80092
1945.0000 -40.71850 -38.75014 1.96836 2.12519 -38.50361 916.43716
1950.0000 -40.21257 -38.29842 1.91415 2.14223 -38.38659 929.24066
1955.0000 -40.65289 -38.11690 2.53599 2.24002 -37.71490 1016.97610
1960.0000 -40.68513 -38.76529 1.91984 2.21327 -37.89866 929.24206
1965.0000 -40.49725 -37.89260 2.60465 2.14879 -38.34147 881.97889
1970.0000 -40.52290 -37.82672 2.69618 2.20659 -37.94449 1009.07915
1975.0000 -40.62793 -38.47217 2.15576 2.14085 -38.39600 915.60338
1980.0000 -40.71810 -39.20722 1.51088 2.11571 -38.56868 875.32916
1985.0000 -40.09530 -38.01521 2.08009 2.10315 -38.65496 916.47027
1990.0000 -40.04345 -37.66781 2.37564 2.26976 -37.51066 1022.42715
1995.0000 -41.33405 -38.58999 2.74405 2.22996 -37.78400 1031.99425
2000.0000 -39.76163 -38.01359 1.74804 2.17265 -38.17763 917.70480
FREEZING PROCESS: loop number 9 T-loop= 924.00000000000000
main_MD> interactions number 9 at Temperature= 924.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35304 0.72674 -1.63752
force_rgl> df(natom) -0.19240 0.31482 0.52472
2005.0000 -40.37466 -38.83965 1.53500 2.11409 -38.57980 846.28746
2010.0000 -40.21335 -38.56240 1.65095 2.07995 -38.81432 779.82526
2015.0000 -40.60186 -39.03264 1.56922 2.11109 -38.60045 878.80105
2020.0000 -40.89332 -38.23931 2.65402 2.14825 -38.34523 870.12966
2025.0000 -39.88441 -38.00151 1.88290 2.16038 -38.26189 918.70779
2030.0000 -39.27906 -37.50150 1.77757 2.25791 -37.59206 1006.64254
2035.0000 -40.63358 -38.01461 2.61897 2.24625 -37.67210 984.69133
2040.0000 -40.15439 -36.66390 3.49049 2.29768 -37.31886 1046.64737
2045.0000 -40.19291 -37.59197 2.60093 2.30433 -37.27317 1090.48499
2050.0000 -39.98494 -38.09585 1.88909 2.18094 -38.12067 942.98867
2055.0000 -40.49887 -38.01126 2.48761 2.22438 -37.82230 884.69813
2060.0000 -40.30242 -38.15446 2.14796 2.15857 -38.27429 907.95973
2065.0000 -40.18768 -38.64432 1.54335 2.17800 -38.14089 929.62754
2070.0000 -40.62420 -38.70397 1.92023 2.06866 -38.89186 767.56217
2075.0000 -41.03859 -39.17479 1.86380 2.08356 -38.78949 818.60648
2080.0000 -40.81774 -38.09004 2.72770 2.13929 -38.40676 945.92784
2085.0000 -39.33237 -37.49537 1.83700 2.26760 -37.52550 1072.32695
2090.0000 -39.58982 -38.24254 1.34728 2.20337 -37.96666 797.78243
2095.0000 -39.56524 -37.18420 2.38104 2.19548 -38.02083 916.40656
2100.0000 -39.22264 -37.51557 1.70706 2.31098 -37.22754 991.31392
2105.0000 -40.03843 -37.89323 2.14520 2.24147 -37.70493 964.82121
2110.0000 -40.46879 -37.63370 2.83509 2.29490 -37.33800 1105.11323
2115.0000 -40.86797 -39.05740 1.81057 2.11496 -38.57388 825.71781
2120.0000 -41.34710 -38.84404 2.50305 2.08491 -38.78025 811.34533
2125.0000 -40.49582 -38.43475 2.06106 2.05439 -38.98990 804.96699
2130.0000 -40.92641 -39.21967 1.70674 2.15891 -38.27197 886.72759
2135.0000 -40.24405 -38.04360 2.20045 2.13591 -38.42995 887.73275
2140.0000 -40.25265 -38.05283 2.19981 2.21133 -37.91194 977.34760
2145.0000 -41.28824 -39.59109 1.69715 2.06770 -38.89843 801.87602
2150.0000 -40.65416 -38.32871 2.32546 2.10884 -38.61587 886.57303
2155.0000 -40.12807 -38.79670 1.33137 2.08253 -38.79657 858.10358
2160.0000 -40.18657 -37.31172 2.87485 2.21908 -37.85871 954.12072
2165.0000 -39.61806 -38.09844 1.51962 2.16176 -38.25241 883.06988
2170.0000 -40.69255 -38.65263 2.03991 2.14250 -38.38468 920.75503
2175.0000 -40.64228 -38.08562 2.55666 2.15189 -38.32018 930.60490
2180.0000 -40.65372 -38.13783 2.51589 2.13137 -38.46113 884.46083
2185.0000 -40.11062 -37.76641 2.34421 2.22615 -37.81017 962.23713
2190.0000 -40.27635 -37.76219 2.51416 2.18697 -38.07925 949.89458
2195.0000 -40.50429 -38.58889 1.91541 2.10938 -38.61217 833.87870
2200.0000 -40.38747 -37.62882 2.75865 2.14651 -38.35712 931.04903
2205.0000 -39.86502 -38.08876 1.77626 2.21913 -37.85835 1002.36127
2210.0000 -40.38533 -38.25640 2.12893 2.12746 -38.48801 882.39417
2215.0000 -40.79037 -38.65877 2.13160 2.13987 -38.40278 894.47630
2220.0000 -40.50906 -38.86568 1.64338 2.11755 -38.55607 878.67811
2225.0000 -39.84526 -37.76359 2.08167 2.13366 -38.44539 919.95065
2230.0000 -39.44598 -37.72187 1.72411 2.23242 -37.76710 973.42294
2235.0000 -41.05625 -38.51356 2.54269 2.14862 -38.34267 824.20760
2240.0000 -40.98845 -38.59809 2.39036 2.08044 -38.81094 849.90180
2245.0000 -41.01744 -39.07858 1.93886 2.04237 -39.07241 820.13824
2250.0000 -40.47420 -39.02406 1.45014 2.07522 -38.84679 779.88280
FREEZING PROCESS: loop number 10 T-loop= 899.00000000000000
main_MD> interactions number 10 at Temperature= 899.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.56950 -2.55505 1.74642
force_rgl> df(natom) -1.69754 -0.51074 2.17631
2255.0000 -40.76506 -39.36703 1.39803 2.08858 -38.75504 790.02838
2260.0000 -39.42235 -37.17152 2.25083 2.13885 -38.40975 884.51193
2265.0000 -39.42641 -36.66358 2.76283 2.27414 -37.48054 1005.29946
2270.0000 -39.83832 -37.26629 2.57204 2.34132 -37.01914 1078.66875
2275.0000 -39.66888 -37.05831 2.61058 2.36123 -36.88243 1048.12290
2280.0000 -39.49503 -37.19983 2.29520 2.36722 -36.84127 1154.26995
2285.0000 -40.86141 -38.67953 2.18188 2.18207 -38.11291 916.34815
2290.0000 -39.92454 -38.06137 1.86318 2.18739 -38.07637 909.66649
2295.0000 -39.11656 -36.69383 2.42273 2.28441 -37.41003 990.97984
2300.0000 -39.02736 -37.26789 1.75947 2.27676 -37.46259 987.92112
2305.0000 -40.25375 -38.02001 2.23375 2.30712 -37.25405 1096.93022
2310.0000 -40.83968 -38.59826 2.24142 2.14162 -38.39073 952.26777
2315.0000 -39.46303 -37.45176 2.01127 2.19272 -38.03974 969.00021
2320.0000 -40.38496 -37.97058 2.41438 2.18021 -38.12569 969.12359
2325.0000 -40.06863 -38.41188 1.65675 2.18223 -38.11180 984.72131
2330.0000 -40.93903 -38.98291 1.95612 2.09121 -38.73699 832.75053
2335.0000 -40.02907 -37.69866 2.33040 2.13905 -38.40837 910.59116
2340.0000 -40.01077 -37.81822 2.19254 2.26546 -37.54016 1002.63655
2345.0000 -40.34394 -38.03309 2.31086 2.22333 -37.82955 970.21618
2350.0000 -40.93711 -39.23186 1.70525 2.14842 -38.34402 923.97789
2355.0000 -40.45125 -38.85935 1.59190 2.04166 -39.07731 765.46899
2360.0000 -39.60003 -38.07087 1.52916 2.14175 -38.38983 896.32905
2365.0000 -40.62813 -38.73413 1.89400 2.08166 -38.80259 829.28730
2370.0000 -40.90677 -39.02514 1.88162 2.06458 -38.91985 815.08928
2375.0000 -41.19736 -38.90057 2.29679 2.09524 -38.70932 948.17486
2380.0000 -40.70790 -39.01541 1.69249 2.09589 -38.70482 852.59290
2385.0000 -40.78646 -38.88426 1.90220 2.03375 -39.13163 750.14512
2390.0000 -40.23094 -38.59462 1.63632 2.08166 -38.80253 835.13330
2395.0000 -39.62921 -38.10174 1.52747 2.12876 -38.47910 827.91559
2400.0000 -40.98161 -38.65326 2.32835 2.11234 -38.59186 793.30051
2405.0000 -40.37571 -38.59739 1.77833 2.10244 -38.65981 868.86541
2410.0000 -41.39039 -38.82993 2.56045 2.11681 -38.56113 875.05402
2415.0000 -40.56931 -38.47827 2.09104 2.08340 -38.79059 850.69615
2420.0000 -40.19257 -38.20510 1.98747 2.13962 -38.40446 922.66433
2425.0000 -39.92374 -37.41353 2.51021 2.21334 -37.89813 1001.31396
2430.0000 -39.90427 -37.37104 2.53324 2.29178 -37.35943 1102.63073
2435.0000 -39.57617 -36.93107 2.64509 2.27700 -37.46091 972.80912
2440.0000 -40.90281 -38.31988 2.58293 2.28983 -37.37277 1022.28101
2445.0000 -40.00037 -38.31441 1.68596 2.16322 -38.24238 901.24833
2450.0000 -40.17937 -37.31609 2.86329 2.25330 -37.62367 995.39991
2455.0000 -40.48622 -38.27912 2.20710 2.19713 -38.00950 916.78828
2460.0000 -40.94560 -38.59177 2.35383 2.14767 -38.34918 904.03499
2465.0000 -40.30010 -38.79614 1.50396 2.08066 -38.80942 828.73586
2470.0000 -40.38257 -37.74953 2.63303 2.17247 -38.17885 958.98624
2475.0000 -40.95386 -38.97519 1.97867 2.12615 -38.49702 968.40140
2480.0000 -40.53966 -38.89986 1.63981 2.04555 -39.05055 770.20505
2485.0000 -40.59475 -38.58331 2.01144 2.12274 -38.52039 837.64809
2490.0000 -41.04534 -38.82473 2.22061 2.11382 -38.58168 895.93790
2495.0000 -40.59341 -37.93782 2.65560 2.16293 -38.24439 975.23801
2500.0000 -39.44541 -37.11977 2.32564 2.24109 -37.70752 926.78940
FREEZING PROCESS: loop number 11 T-loop= 874.00000000000000
main_MD> interactions number 11 at Temperature= 874.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49078 -5.01681 -1.29374
force_rgl> df(natom) -0.62914 0.86670 -2.39422
2505.0000 -39.56957 -37.46943 2.10013 2.31197 -37.22075 1091.00743
2510.0000 -40.07408 -37.86619 2.20789 2.24118 -37.70696 976.88952
2515.0000 -39.74276 -37.08525 2.65752 2.22969 -37.78582 956.33086
2520.0000 -40.46637 -38.66546 1.80091 2.26079 -37.57227 1015.95180
2525.0000 -40.83724 -39.18737 1.64988 2.09905 -38.68312 858.21940
2530.0000 -39.93651 -38.18090 1.75562 2.14017 -38.40071 892.49092
2535.0000 -40.09509 -38.42511 1.66998 2.13214 -38.45585 834.72956
2540.0000 -40.18948 -38.06784 2.12164 2.18628 -38.08401 987.02211
2545.0000 -40.54821 -38.76731 1.78089 2.10361 -38.65182 845.15032
2550.0000 -39.83277 -37.93108 1.90169 2.12338 -38.51601 842.35238
2555.0000 -40.06388 -38.00840 2.05548 2.15258 -38.31546 866.84250
2560.0000 -40.53703 -38.93259 1.60444 2.07260 -38.86479 847.00054
2565.0000 -41.01708 -39.48115 1.53593 2.01622 -39.25201 721.20313
2570.0000 -40.68462 -38.84194 1.84268 2.02129 -39.21723 710.03066
2575.0000 -40.60647 -38.65049 1.95598 2.12773 -38.48612 869.88631
2580.0000 -40.19042 -38.29942 1.89099 2.11319 -38.58598 862.18066
2585.0000 -40.50397 -37.64457 2.85940 2.18186 -38.11438 928.83790
2590.0000 -40.78802 -38.49128 2.29673 2.12250 -38.52209 887.21435
2595.0000 -40.76224 -38.21262 2.54962 2.12994 -38.47100 882.84781
2600.0000 -40.42904 -38.31292 2.11612 2.16405 -38.23666 944.56019
2605.0000 -40.16136 -37.64028 2.52109 2.12123 -38.53081 879.92259
2610.0000 -39.62469 -36.70504 2.91966 2.28452 -37.40929 1091.90349
2615.0000 -39.73863 -37.45708 2.28154 2.36712 -36.84195 1075.32033
2620.0000 -39.65585 -37.48930 2.16655 2.28435 -37.41042 1030.21433
2625.0000 -40.09287 -38.12199 1.97088 2.24201 -37.70127 963.86811
2630.0000 -41.05035 -39.24342 1.80693 2.03763 -39.10499 798.42797
2635.0000 -40.39409 -38.37773 2.01637 2.16766 -38.21186 935.47815
2640.0000 -39.91624 -37.61752 2.29872 2.19935 -37.99421 930.30340
2645.0000 -41.00805 -39.16759 1.84046 2.14714 -38.35286 893.71749
2650.0000 -40.73624 -38.45301 2.28323 2.10028 -38.67465 872.88350
2655.0000 -39.30217 -37.56149 1.74068 2.22847 -37.79423 1057.44040
2660.0000 -40.47971 -38.35172 2.12799 2.20953 -37.92431 959.23246
2665.0000 -40.14494 -38.96542 1.17952 2.08449 -38.78310 860.77659
2670.0000 -40.41310 -37.71962 2.69348 2.18477 -38.09438 966.97817
2675.0000 -39.57794 -37.33263 2.24531 2.21648 -37.87656 908.74791
2680.0000 -40.87716 -39.53067 1.34649 2.11066 -38.60340 873.33130
2685.0000 -41.09834 -39.55788 1.54046 1.97733 -39.51913 755.37431
2690.0000 -41.21671 -39.57636 1.64035 1.97812 -39.51368 717.12770
2695.0000 -40.95919 -38.91835 2.04084 2.00595 -39.32258 790.57468
2700.0000 -41.39825 -39.67698 1.72127 1.98784 -39.44697 751.39864
2705.0000 -40.35764 -37.97909 2.37855 2.09644 -38.70104 819.90364
2710.0000 -40.76786 -39.13529 1.63257 2.13133 -38.46139 846.43846
2715.0000 -40.20825 -37.94346 2.26479 2.08824 -38.75738 784.67994
2720.0000 -40.15159 -38.28809 1.86350 2.19365 -38.03339 863.78109
2725.0000 -39.48142 -37.40532 2.07610 2.27968 -37.44252 1049.04455
2730.0000 -39.67548 -37.79176 1.88372 2.25887 -37.58546 975.74205
2735.0000 -40.91741 -38.00870 2.90871 2.27781 -37.45534 1038.45410
2740.0000 -40.84770 -38.64621 2.20149 2.12380 -38.51316 843.60604
2745.0000 -40.85125 -38.37873 2.47253 2.11471 -38.57556 809.27096
2750.0000 -40.95867 -39.30485 1.65382 2.06761 -38.89905 801.15974
FREEZING PROCESS: loop number 12 T-loop= 849.00000000000000
main_MD> interactions number 12 at Temperature= 849.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06976 -0.08848 3.18391
force_rgl> df(natom) -2.11563 1.92515 0.33126
2755.0000 -41.40368 -39.23442 2.16927 2.02781 -39.17240 727.82817
2760.0000 -39.41958 -37.32873 2.09085 2.18715 -38.07805 952.47905
2765.0000 -41.19220 -39.31554 1.87667 2.19366 -38.03333 892.40310
2770.0000 -40.78121 -38.68568 2.09554 1.98827 -39.44399 721.82189
2775.0000 -40.51490 -38.43643 2.07847 2.10849 -38.61830 869.68343
2780.0000 -40.61473 -38.82317 1.79156 2.10032 -38.67443 841.13899
2785.0000 -40.55369 -38.85520 1.69849 2.09503 -38.71075 818.51468
2790.0000 -40.84391 -39.58390 1.26001 2.01903 -39.23270 740.08762
2795.0000 -41.19240 -39.23143 1.96097 2.01163 -39.28354 746.47450
2800.0000 -40.66564 -38.84641 1.81922 2.07107 -38.87530 781.11223
2805.0000 -40.34110 -38.05705 2.28405 2.15014 -38.33223 894.96048
2810.0000 -40.74348 -38.58074 2.16274 2.18243 -38.11047 952.93035
2815.0000 -39.87702 -38.31916 1.55785 2.06980 -38.88403 804.76589
2820.0000 -40.58460 -38.83100 1.75360 2.19242 -38.04181 958.77238
2825.0000 -40.60574 -38.78424 1.82150 2.17418 -38.16708 955.06106
2830.0000 -40.72556 -38.77553 1.95003 2.06184 -38.93869 779.44258
2835.0000 -40.83438 -38.64216 2.19222 2.11273 -38.58914 887.08311
2840.0000 -41.02292 -39.16685 1.85607 2.04947 -39.02365 797.52064
2845.0000 -40.58631 -38.29621 2.29011 2.02147 -39.21597 788.72394
2850.0000 -40.18893 -38.59540 1.59353 2.08037 -38.81143 793.56961
2855.0000 -40.83162 -38.47731 2.35431 2.09098 -38.73855 813.00230
2860.0000 -41.08290 -39.22108 1.86182 2.07984 -38.81504 787.50269
2865.0000 -40.87290 -38.53473 2.33818 2.04004 -39.08842 786.78506
2870.0000 -41.04763 -39.21391 1.83372 2.04672 -39.04251 795.75216
2875.0000 -40.90804 -38.88851 2.01953 2.06369 -38.92600 805.74019
2880.0000 -40.55085 -39.05498 1.49587 2.06215 -38.93659 804.47089
2885.0000 -40.96552 -39.30159 1.66392 2.01391 -39.26792 740.23658
2890.0000 -40.88412 -38.84252 2.04160 2.05684 -38.97301 789.48602
2895.0000 -41.52159 -39.31678 2.20481 2.04095 -39.08218 784.37481
2900.0000 -41.50464 -39.38694 2.11770 2.01492 -39.26099 763.33233
2905.0000 -40.48070 -39.08878 1.39192 1.99172 -39.42030 764.25003
2910.0000 -41.44918 -39.28023 2.16895 2.03622 -39.11464 780.87813
2915.0000 -40.32865 -38.10479 2.22386 2.11241 -38.59139 858.56215
2920.0000 -41.46067 -38.85838 2.60229 2.11922 -38.54460 850.55425
2925.0000 -40.66261 -39.22246 1.44015 2.03578 -39.11767 760.62110
2930.0000 -40.93822 -39.11773 1.82048 2.05931 -38.95607 826.63029
2935.0000 -41.38031 -39.52588 1.85443 2.03161 -39.14636 775.87136
2940.0000 -40.98769 -39.11246 1.87523 2.00919 -39.30033 791.64290
2945.0000 -40.64421 -38.46465 2.17956 2.09415 -38.71680 838.39738
2950.0000 -40.65700 -39.17534 1.48167 2.04630 -39.04540 810.86731
2955.0000 -41.56465 -39.39817 2.16648 1.99702 -39.38391 779.53999
2960.0000 -41.16739 -39.72376 1.44363 1.92439 -39.88275 637.89139
2965.0000 -40.74890 -38.63573 2.11317 2.06947 -38.88631 768.81155
2970.0000 -39.53232 -37.64351 1.88881 2.16026 -38.26270 904.70742
2975.0000 -40.91731 -38.77184 2.14547 2.23555 -37.74560 1047.96212
2980.0000 -40.42755 -37.73696 2.69059 2.19413 -38.03010 914.59505
2985.0000 -40.78840 -39.38981 1.39860 2.13949 -38.40535 866.16593
2990.0000 -40.92070 -39.36816 1.55254 2.02663 -39.18053 797.41519
2995.0000 -41.33354 -39.26374 2.06980 2.02512 -39.19092 801.45737
3000.0000 -41.35031 -39.47277 1.87754 2.05068 -39.01536 817.10044
FREEZING PROCESS: loop number 13 T-loop= 824.00000000000000
main_MD> interactions number 13 at Temperature= 824.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77986 0.11481 0.46762
force_rgl> df(natom) 2.63204 -0.37622 0.14928
3005.0000 -40.38002 -38.88170 1.49832 2.05126 -39.01137 814.09640
3010.0000 -40.35410 -38.66653 1.68756 2.07700 -38.83457 757.76384
3015.0000 -40.58319 -37.93226 2.65093 2.13468 -38.43840 885.68279
3020.0000 -39.67454 -37.82990 1.84464 2.17931 -38.13188 870.88242
3025.0000 -40.97598 -38.12031 2.85567 2.08870 -38.75421 857.95658
3030.0000 -41.17506 -38.96596 2.20910 2.14778 -38.34845 902.44421
3035.0000 -40.68724 -38.87370 1.81354 1.98951 -39.43545 718.28048
3040.0000 -39.63509 -37.80671 1.82838 2.12815 -38.48326 887.46111
3045.0000 -40.18829 -38.39832 1.78997 2.20357 -37.96526 948.55533
3050.0000 -40.77961 -38.25116 2.52845 2.19684 -38.01148 952.95699
3055.0000 -40.49083 -38.73238 1.75846 2.14540 -38.36477 876.54629
3060.0000 -40.43642 -38.94141 1.49501 2.10908 -38.61421 844.22430
3065.0000 -41.05034 -39.12978 1.92056 2.02175 -39.21408 783.63087
3070.0000 -41.14759 -39.17416 1.97343 2.02559 -39.18765 801.75141
3075.0000 -40.38180 -38.60487 1.77693 2.09716 -38.69609 857.47894
3080.0000 -40.85759 -39.44913 1.40847 2.01652 -39.24997 737.69122
3085.0000 -41.56553 -38.92515 2.64038 2.00751 -39.31184 726.49049
3090.0000 -40.89540 -39.09760 1.79781 2.06874 -38.89131 851.32566
3095.0000 -40.93599 -39.40377 1.53222 2.05280 -39.00081 786.66624
3100.0000 -40.86419 -38.82466 2.03953 2.09786 -38.69129 881.06477
3105.0000 -39.31094 -37.16539 2.14555 2.15330 -38.31053 1013.57244
3110.0000 -39.85478 -37.75354 2.10123 2.25503 -37.61182 1021.10369
3115.0000 -40.47542 -38.47841 1.99701 2.11419 -38.57917 809.86248
3120.0000 -40.67756 -39.26441 1.41315 2.08802 -38.75890 831.71116
3125.0000 -40.78345 -39.12902 1.65443 2.00507 -39.32861 731.72151
3130.0000 -41.04905 -38.87911 2.16994 2.05639 -38.97615 808.33369
3135.0000 -41.37307 -38.93982 2.43325 2.06534 -38.91462 779.20777
3140.0000 -41.25936 -39.36141 1.89795 2.04551 -39.05088 808.22302
3145.0000 -40.65964 -38.62356 2.03608 2.09963 -38.67911 843.66342
3150.0000 -40.53392 -38.58953 1.94439 2.11214 -38.59319 891.75921
3155.0000 -40.72702 -39.02346 1.70356 2.06552 -38.91341 822.86830
3160.0000 -40.95862 -39.42469 1.53392 2.00773 -39.31037 746.60833
3165.0000 -40.99401 -39.08488 1.90913 1.99516 -39.39667 673.15492
3170.0000 -41.33882 -39.74299 1.59583 1.98110 -39.49325 740.25315
3175.0000 -41.74288 -39.59333 2.14955 1.92811 -39.85717 646.64345
3180.0000 -40.59879 -38.75352 1.84527 1.98325 -39.47848 702.03948
3185.0000 -40.60692 -38.47164 2.13528 2.06588 -38.91098 813.68835
3190.0000 -40.08086 -37.98430 2.09656 2.20960 -37.92386 965.08042
3195.0000 -40.38071 -38.71253 1.66818 2.19086 -38.05257 862.36685
3200.0000 -40.28178 -38.40598 1.87580 2.18345 -38.10342 937.38458
3205.0000 -40.05033 -38.29586 1.75446 2.12612 -38.49722 759.60446
3210.0000 -40.74918 -38.86728 1.88190 2.07737 -38.83206 844.66549
3215.0000 -41.86015 -39.67008 2.19007 2.01082 -39.28913 732.33939
3220.0000 -41.65441 -40.05156 1.60284 1.99078 -39.42676 752.15309
3225.0000 -40.97703 -38.40897 2.56807 2.01515 -39.25938 745.95253
3230.0000 -40.11696 -38.23671 1.88026 2.16982 -38.19703 956.76892
3235.0000 -41.28669 -39.75349 1.53321 2.11160 -38.59691 841.87436
3240.0000 -41.00894 -39.24754 1.76140 1.95944 -39.64202 657.12066
3245.0000 -40.76603 -39.15878 1.60725 2.00170 -39.35176 699.42131
3250.0000 -40.64057 -39.47071 1.16986 2.06647 -38.90689 852.88376
FREEZING PROCESS: loop number 14 T-loop= 799.00000000000000
main_MD> interactions number 14 at Temperature= 799.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.56500 3.79113 -3.48541
force_rgl> df(natom) -0.74243 -1.64219 0.19433
3255.0000 -41.02606 -39.68241 1.34365 1.95264 -39.68873 656.67337
3260.0000 -41.07169 -39.40224 1.66946 1.97106 -39.56220 712.73991
3265.0000 -41.31048 -39.74035 1.57012 1.99115 -39.42421 720.93264
3270.0000 -41.23166 -39.07533 2.15633 1.98162 -39.48967 718.12133
3275.0000 -40.79848 -39.32316 1.47532 2.01603 -39.25333 717.76302
3280.0000 -40.80290 -38.95781 1.84509 2.01810 -39.23910 698.74127
3285.0000 -41.06556 -38.81718 2.24838 2.07611 -38.84070 837.89483
3290.0000 -40.59083 -39.28556 1.30527 2.03442 -39.12702 760.08707
3295.0000 -41.19902 -39.32740 1.87162 2.07002 -38.88248 835.28212
3300.0000 -41.60406 -39.56308 2.04098 1.98580 -39.46093 745.90172
3305.0000 -41.26178 -38.49665 2.76513 2.00604 -39.32198 792.11810
3310.0000 -40.58620 -38.86069 1.72551 2.10643 -38.63244 842.58332
3315.0000 -40.66909 -38.49753 2.17156 2.13358 -38.44597 888.71444
3320.0000 -41.13140 -39.41937 1.71203 2.08279 -38.79481 820.61663
3325.0000 -40.43148 -38.74380 1.68768 2.10821 -38.62023 851.83631
3330.0000 -41.24605 -39.05679 2.18925 2.04947 -39.02366 816.77530
3335.0000 -40.63372 -39.08545 1.54827 2.04985 -39.02103 794.10743
3340.0000 -40.49473 -38.70500 1.78973 2.09349 -38.72133 831.63383
3345.0000 -40.81744 -38.52274 2.29470 2.05450 -38.98908 794.62030
3350.0000 -40.07417 -38.35172 1.72245 2.14981 -38.33451 896.90754
3355.0000 -40.22217 -38.31248 1.90969 2.16554 -38.22644 945.38541
3360.0000 -40.53062 -38.95560 1.57502 2.13252 -38.45324 810.40897
3365.0000 -41.13472 -38.83387 2.30086 2.13309 -38.44933 854.15446
3370.0000 -40.42823 -38.52059 1.90764 2.08614 -38.77176 842.13973
3375.0000 -41.29174 -39.09326 2.19848 2.10356 -38.65214 823.43146
3380.0000 -41.09845 -39.41416 1.68428 2.02658 -39.18089 740.54563
3385.0000 -40.91377 -39.43702 1.47676 1.95112 -39.69917 674.32385
3390.0000 -41.04012 -38.96914 2.07098 1.99685 -39.38508 728.99044
3395.0000 -40.71735 -38.80145 1.91590 2.05288 -39.00020 795.95699
3400.0000 -40.88592 -38.65191 2.23400 2.07659 -38.83736 833.76603
3405.0000 -40.30219 -37.60436 2.69783 2.22109 -37.84491 957.83941
3410.0000 -39.86927 -37.95832 1.91094 2.19027 -38.05658 901.23438
3415.0000 -41.44401 -39.63593 1.80808 2.10845 -38.61855 773.32403
3420.0000 -41.38840 -39.94667 1.44173 1.98604 -39.45934 755.76816
3425.0000 -41.08783 -39.29302 1.79481 1.93396 -39.81704 669.03866
3430.0000 -40.48802 -38.50928 1.97875 1.99874 -39.37205 746.05044
3435.0000 -41.15427 -39.38983 1.76444 2.09208 -38.73103 836.05996
3440.0000 -41.38346 -39.33954 2.04393 1.97988 -39.50161 732.83163
3445.0000 -41.15772 -39.26370 1.89402 2.01709 -39.24606 729.50858
3450.0000 -40.23354 -38.52242 1.71111 2.06007 -38.95087 793.81233
3455.0000 -41.19313 -39.22162 1.97151 2.06495 -38.91730 773.55961
3460.0000 -41.68134 -39.68111 2.00023 1.98183 -39.48822 709.39933
3465.0000 -40.74829 -39.15055 1.59774 1.97274 -39.55069 725.30764
3470.0000 -40.71305 -38.81033 1.90272 2.04914 -39.02593 749.75253
3475.0000 -40.84018 -38.48010 2.36008 2.04959 -39.02280 791.18762
3480.0000 -40.28589 -38.62400 1.66189 2.11272 -38.58922 880.62153
3485.0000 -40.17277 -38.32213 1.85063 2.12934 -38.47509 871.12554
3490.0000 -40.60141 -38.97671 1.62471 2.09666 -38.69956 871.84049
3495.0000 -40.16112 -38.21606 1.94506 2.11690 -38.56052 898.06963
3500.0000 -40.08358 -38.04087 2.04271 2.17308 -38.17467 910.69545
FREEZING PROCESS: loop number 15 T-loop= 774.00000000000000
main_MD> interactions number 15 at Temperature= 774.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21358 0.63980 -0.25192
force_rgl> df(natom) 0.94769 3.60313 -0.27014
3505.0000 -40.99346 -38.85224 2.14122 2.14946 -38.33688 864.40555
3510.0000 -41.13209 -38.24389 2.88820 2.12419 -38.51044 799.31636
3515.0000 -41.14373 -38.63720 2.50653 2.10963 -38.61049 856.13728
3520.0000 -41.05887 -39.17397 1.88490 2.06856 -38.89253 864.98512
3525.0000 -41.43192 -39.72649 1.70544 1.93804 -39.78902 665.24090
3530.0000 -41.51404 -39.48784 2.02620 1.96407 -39.61020 707.92389
3535.0000 -40.72688 -39.04632 1.68057 2.01040 -39.29202 728.71464
3540.0000 -41.53530 -39.66640 1.86889 1.98724 -39.45109 744.16534
3545.0000 -40.72403 -38.84051 1.88352 2.04325 -39.06637 800.93801
3550.0000 -41.21000 -38.82327 2.38674 2.02850 -39.16770 737.50798
3555.0000 -40.42950 -38.50044 1.92906 2.15958 -38.26737 937.38154
3560.0000 -41.43341 -39.19347 2.23994 2.03746 -39.10612 808.41513
3565.0000 -41.43955 -40.00563 1.43392 1.92883 -39.85223 651.33029
3570.0000 -40.99900 -39.63968 1.35932 1.89010 -40.11826 595.08329
3575.0000 -41.25281 -39.88815 1.36466 1.94045 -39.77245 623.24585
3580.0000 -41.80451 -40.50033 1.30418 1.92584 -39.87281 628.74657
3585.0000 -41.21623 -39.37912 1.83710 1.94378 -39.74956 685.47997
3590.0000 -41.09581 -38.97825 2.11757 2.01534 -39.25809 731.25784
3595.0000 -40.88635 -39.17713 1.70921 2.05401 -38.99250 756.16814
3600.0000 -41.46342 -39.28602 2.17740 2.02566 -39.18716 766.37788
3605.0000 -41.03098 -38.99242 2.03855 2.01685 -39.24769 735.22022
3610.0000 -41.01431 -38.99614 2.01818 2.06122 -38.94296 826.21252
3615.0000 -41.14981 -39.38923 1.76058 2.02064 -39.22168 791.45828
3620.0000 -40.96287 -39.31280 1.65006 2.01269 -39.27626 710.72470
3625.0000 -41.43740 -39.43464 2.00276 2.05726 -38.97016 824.76821
3630.0000 -41.05777 -39.55940 1.49837 1.99268 -39.41371 735.39189
3635.0000 -41.26957 -39.64680 1.62277 1.96757 -39.58616 715.23276
3640.0000 -40.57456 -38.76481 1.80975 1.99547 -39.39457 730.72249
3645.0000 -41.26324 -39.44840 1.81484 1.96644 -39.59393 669.32011
3650.0000 -41.27698 -39.70226 1.57472 2.01500 -39.26041 752.81483
3655.0000 -40.78589 -39.22997 1.55592 2.01223 -39.27944 752.11259
3660.0000 -40.50753 -38.59474 1.91279 2.03600 -39.11615 734.95242
3665.0000 -40.53299 -38.88641 1.64658 2.14703 -38.35356 896.64016
3670.0000 -40.34132 -37.79129 2.55003 2.12980 -38.47190 886.32835
3675.0000 -41.28453 -39.06810 2.21643 2.06759 -38.89921 843.86523
3680.0000 -41.55230 -39.83029 1.72201 1.96274 -39.61932 726.82486
3685.0000 -40.97180 -39.00532 1.96647 1.94527 -39.73930 656.58702
3690.0000 -41.06974 -38.99957 2.07017 2.04171 -39.07695 803.42127
3695.0000 -40.66199 -39.28593 1.37606 2.04998 -39.02017 785.80030
3700.0000 -41.12722 -39.71258 1.41464 2.00969 -39.29691 777.80448
3705.0000 -40.83163 -39.70282 1.12881 1.93595 -39.80332 645.60572
3710.0000 -40.50344 -38.69900 1.80444 2.04162 -39.07756 794.27959
3715.0000 -40.76477 -39.03016 1.73461 1.99734 -39.38169 704.16054
3720.0000 -41.81300 -39.68253 2.13046 2.00904 -39.30131 752.90217
3725.0000 -40.42884 -38.97669 1.45214 1.97793 -39.51501 699.97091
3730.0000 -41.29902 -39.83271 1.46631 1.95899 -39.64507 659.08027
3735.0000 -40.52455 -38.99579 1.52876 1.96634 -39.59464 673.87009
3740.0000 -40.49179 -38.71322 1.77857 2.00834 -39.30614 696.38946
3745.0000 -40.51496 -38.50910 2.00585 2.10565 -38.63778 837.14933
3750.0000 -41.04472 -39.11201 1.93271 2.07048 -38.87937 794.77471
FREEZING PROCESS: loop number 16 T-loop= 749.00000000000000
main_MD> interactions number 16 at Temperature= 749.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26030 -0.29319 2.92305
force_rgl> df(natom) -0.80370 -0.38431 0.08165
3755.0000 -40.95278 -39.64431 1.30846 1.96715 -39.58903 702.70943
3760.0000 -40.34660 -38.74782 1.59878 2.06467 -38.91928 807.14139
3765.0000 -40.60360 -38.99017 1.61343 2.10608 -38.63481 869.01863
3770.0000 -39.84899 -38.69540 1.15359 2.08893 -38.75262 789.99560
3775.0000 -40.54876 -38.78635 1.76241 2.10252 -38.65928 866.58629
3780.0000 -40.52555 -38.75686 1.76868 2.07697 -38.83475 834.35673
3785.0000 -40.65223 -38.77831 1.87392 2.08729 -38.76392 868.28562
3790.0000 -40.83199 -39.01528 1.81671 2.06769 -38.89851 803.96036
3795.0000 -40.80765 -39.08601 1.72164 2.04866 -39.02924 799.16690
3800.0000 -40.94929 -38.34302 2.60627 2.11429 -38.57843 889.93146
3805.0000 -40.55556 -38.38378 2.17177 2.09048 -38.74199 841.04182
3810.0000 -39.58983 -37.33619 2.25364 2.19155 -38.04784 936.31631
3815.0000 -40.82967 -38.16669 2.66297 2.27500 -37.47463 1002.60251
3820.0000 -40.64622 -39.18970 1.45652 2.12335 -38.51624 841.43933
3825.0000 -41.02056 -39.40806 1.61250 2.02450 -39.19516 765.53978
3830.0000 -41.33379 -39.16314 2.17065 2.02111 -39.21846 772.69342
3835.0000 -40.65287 -38.90543 1.74744 2.05510 -38.98495 813.68825
3840.0000 -40.73320 -38.36308 2.37012 2.15093 -38.32677 958.07723
3845.0000 -41.14637 -38.58102 2.56535 2.10672 -38.63042 923.05568
3850.0000 -40.56175 -39.10773 1.45402 2.12240 -38.52277 966.53383
3855.0000 -40.96964 -39.76759 1.20205 1.96804 -39.58297 715.41144
3860.0000 -40.65606 -38.69483 1.96123 2.01898 -39.23304 780.82394
3865.0000 -40.33023 -38.40770 1.92253 2.12045 -38.53616 854.72998
3870.0000 -41.32539 -39.47669 1.84870 2.04696 -39.04088 769.59624
3875.0000 -40.90318 -38.87225 2.03094 2.00385 -39.33701 713.67822
3880.0000 -40.45691 -38.72793 1.72897 2.10289 -38.65677 838.86954
3885.0000 -39.99618 -38.01947 1.97671 2.11289 -38.58808 874.20148
3890.0000 -40.23004 -38.55885 1.67119 2.20065 -37.98531 918.42525
3895.0000 -41.10498 -39.36733 1.73765 2.02759 -39.17393 734.71903
3900.0000 -40.68418 -39.51917 1.16501 1.95579 -39.66709 674.25215
3905.0000 -41.24611 -39.83785 1.40827 2.04561 -39.05019 778.37858
3910.0000 -40.65083 -39.09429 1.55654 1.99498 -39.39788 667.07186
3915.0000 -41.76496 -40.12408 1.64088 2.00626 -39.32042 756.72194
3920.0000 -41.46354 -39.64789 1.81566 1.91429 -39.95211 648.69129
3925.0000 -40.76395 -38.89375 1.87020 1.97681 -39.52268 720.20633
3930.0000 -39.82216 -38.22524 1.59692 2.18815 -38.07116 882.59169
3935.0000 -40.60936 -38.78992 1.81944 2.12127 -38.53054 848.20833
3940.0000 -40.74683 -38.91280 1.83403 2.07986 -38.81491 850.39657
3945.0000 -40.89834 -38.70236 2.19598 2.06388 -38.92471 766.85390
3950.0000 -41.11110 -39.28687 1.82423 2.05925 -38.95646 819.01200
3955.0000 -41.04346 -39.41563 1.62782 2.04273 -39.06994 809.42084
3960.0000 -40.68437 -38.37143 2.31293 2.00920 -39.30027 746.09648
3965.0000 -40.79548 -38.90980 1.88568 2.04229 -39.07294 689.10287
3970.0000 -40.85048 -39.74934 1.10114 2.03360 -39.13266 730.10474
3975.0000 -41.31353 -39.06489 2.24864 1.93557 -39.80599 640.70136
3980.0000 -40.82562 -38.97549 1.85012 2.01202 -39.28091 734.80259
3985.0000 -41.68805 -40.03683 1.65122 1.96357 -39.61365 696.70763
3990.0000 -41.29437 -39.76387 1.53049 1.92142 -39.90316 642.03008
3995.0000 -41.32458 -39.69887 1.62571 2.00461 -39.33179 735.67466
4000.0000 -41.36067 -39.26755 2.09312 1.95904 -39.64474 720.85559
FREEZING PROCESS: loop number 17 T-loop= 724.00000000000000
main_MD> interactions number 17 at Temperature= 724.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16151 -2.62396 -1.50177
force_rgl> df(natom) -3.82036 0.32641 -3.40879
4005.0000 -40.93532 -39.24503 1.69029 1.99522 -39.39629 730.04562
4010.0000 -40.74707 -38.87668 1.87040 2.01815 -39.23877 754.62357
4015.0000 -40.96241 -39.40616 1.55624 2.07863 -38.82338 803.16430
4020.0000 -41.34480 -39.97122 1.37358 1.93657 -39.79909 658.76319
4025.0000 -41.01814 -39.25121 1.76692 1.93722 -39.79465 672.26264
4030.0000 -41.33203 -39.39165 1.94038 2.00152 -39.35300 735.50656
4035.0000 -41.44100 -39.55926 1.88174 2.00914 -39.30064 779.60703
4040.0000 -40.75176 -39.59320 1.15855 1.98741 -39.44991 700.19218
4045.0000 -41.42750 -39.84097 1.58654 1.94758 -39.72344 662.16267
4050.0000 -41.47961 -39.77383 1.70578 1.90620 -40.00766 605.48214
4055.0000 -41.06424 -39.75856 1.30568 1.98500 -39.46648 709.91493
4060.0000 -41.25867 -39.25707 2.00161 1.92586 -39.87265 630.29842
4065.0000 -41.10938 -39.38554 1.72384 2.01499 -39.26050 723.95402
4070.0000 -41.42144 -40.02326 1.39818 1.95904 -39.64475 656.59423
4075.0000 -41.53209 -39.95854 1.57355 1.95367 -39.68164 701.45552
4080.0000 -41.34347 -40.13539 1.20808 1.90032 -40.04803 586.76571
4085.0000 -41.22646 -39.62391 1.60255 1.95991 -39.63875 683.20226
4090.0000 -41.26821 -39.47867 1.78953 1.98946 -39.43585 685.52759
4095.0000 -40.54777 -38.63027 1.91750 2.05054 -39.01633 768.01801
4100.0000 -41.19100 -39.13187 2.05914 2.09244 -38.72854 792.13091
4105.0000 -41.03213 -38.99169 2.04044 1.96446 -39.60755 687.45285
4110.0000 -40.91087 -39.10224 1.80863 2.10877 -38.61634 852.21501
4115.0000 -40.84093 -39.12995 1.71098 2.01479 -39.26188 739.42122
4120.0000 -40.90730 -39.49448 1.41281 1.99665 -39.38644 708.19364
4125.0000 -40.84711 -39.02873 1.81838 2.05533 -38.98341 789.79999
4130.0000 -41.68666 -40.12548 1.56119 1.97406 -39.54160 686.33397
4135.0000 -41.51090 -40.00388 1.50701 1.87075 -40.25113 581.65350
4140.0000 -40.94767 -38.72202 2.22565 2.00728 -39.31345 728.54405
4145.0000 -41.23863 -39.58967 1.64896 2.04231 -39.07281 799.07310
4150.0000 -41.24778 -39.28941 1.95838 1.96630 -39.59490 698.32891
4155.0000 -41.13302 -39.58841 1.54461 1.97561 -39.53097 681.62308
4160.0000 -41.13666 -39.16149 1.97517 1.99287 -39.41241 721.83680
4165.0000 -40.88022 -39.32168 1.55854 1.98548 -39.46318 662.26510
4170.0000 -40.91106 -39.07891 1.83215 2.04212 -39.07416 742.64534
4175.0000 -41.12517 -39.47132 1.65385 2.02634 -39.18254 771.59068
4180.0000 -40.34270 -38.92520 1.41750 2.01192 -39.28159 781.23494
4185.0000 -41.22829 -39.55909 1.66920 2.04177 -39.07652 766.95610
4190.0000 -40.82543 -39.21848 1.60695 2.00819 -39.30717 777.37324
4195.0000 -41.38221 -39.31233 2.06988 2.02372 -39.20049 754.36718
4200.0000 -41.51606 -40.04331 1.47275 1.99965 -39.36585 737.33716
4205.0000 -41.22063 -39.37936 1.84128 1.97859 -39.51045 758.38091
4210.0000 -41.99089 -40.11109 1.87980 1.93392 -39.81728 713.75305
4215.0000 -41.45786 -39.05515 2.40271 1.94603 -39.73413 665.65187
4220.0000 -41.11045 -39.05980 2.05065 2.05233 -39.00399 767.54815
4225.0000 -40.91648 -38.93094 1.98554 2.06601 -38.91006 766.37294
4230.0000 -40.91636 -39.21484 1.70152 2.05216 -39.00516 790.56104
4235.0000 -40.41202 -38.77397 1.63805 2.02641 -39.18201 731.07341
4240.0000 -41.12970 -38.86044 2.26926 2.09973 -38.67849 855.29698
4245.0000 -40.98323 -39.00110 1.98213 2.00773 -39.31032 750.69179
4250.0000 -41.39255 -39.00412 2.38842 1.99843 -39.37421 689.85791
FREEZING PROCESS: loop number 18 T-loop= 699.00000000000000
main_MD> interactions number 18 at Temperature= 699.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.66743 -2.19571 -1.81802
force_rgl> df(natom) 1.70179 -0.79245 -0.28370
4255.0000 -40.52027 -38.43651 2.08376 2.10555 -38.63847 828.57295
4260.0000 -41.60177 -39.66600 1.93578 2.03702 -39.10913 791.60232
4265.0000 -40.94903 -39.27645 1.67258 2.01049 -39.29136 757.77212
4270.0000 -40.83301 -39.09064 1.74237 1.99366 -39.40696 695.89935
4275.0000 -41.27574 -38.90436 2.37138 2.02585 -39.18588 712.08122
4280.0000 -41.27214 -39.46863 1.80352 2.03230 -39.14155 756.22962
4285.0000 -40.64646 -38.54803 2.09843 2.07122 -38.87425 796.32791
4290.0000 -41.28107 -39.03535 2.24573 2.08188 -38.80103 838.08855
4295.0000 -41.55595 -39.67824 1.87771 2.03753 -39.10564 780.45340
4300.0000 -41.66058 -40.09744 1.56314 1.89838 -40.06140 605.53066
4305.0000 -41.39819 -39.38643 2.01176 1.93946 -39.77921 662.16760
4310.0000 -41.53531 -40.36312 1.17218 1.93769 -39.79142 631.78074
4315.0000 -41.28500 -40.00733 1.27767 1.88268 -40.16921 600.00398
4320.0000 -41.76773 -40.40305 1.36468 1.92163 -39.90172 641.37155
4325.0000 -41.46206 -40.31591 1.14615 1.81570 -40.62929 529.22474
4330.0000 -41.34108 -40.03368 1.30740 1.87087 -40.25034 587.20834
4335.0000 -41.13616 -39.36955 1.76661 1.96391 -39.61132 662.59671
4340.0000 -41.20855 -39.66214 1.54641 1.99943 -39.36734 749.66909
4345.0000 -41.13040 -39.74133 1.38907 1.95277 -39.68780 670.52796
4350.0000 -41.30316 -39.48257 1.82059 1.94595 -39.73464 709.03784
4355.0000 -41.56651 -39.67673 1.88977 1.95633 -39.66335 686.86817
4360.0000 -41.66800 -40.05707 1.61093 1.94123 -39.76709 694.47266
4365.0000 -41.59938 -39.69785 1.90153 1.87022 -40.25479 624.84830
4370.0000 -41.47916 -39.76139 1.71777 1.98630 -39.45755 766.53899
4375.0000 -41.87503 -40.46725 1.40778 1.89794 -40.06442 610.34693
4380.0000 -41.25780 -39.59975 1.65805 1.86139 -40.31547 599.14088
4385.0000 -40.80232 -39.20572 1.59661 1.95643 -39.66269 695.80826
4390.0000 -41.36037 -39.07262 2.28775 2.06614 -38.90915 822.36328
4395.0000 -40.80114 -39.54302 1.25812 1.97370 -39.54404 720.55778
4400.0000 -41.22460 -39.64713 1.57747 1.98680 -39.45411 761.90675
4405.0000 -40.96831 -39.54769 1.42062 1.98766 -39.44821 728.51790
4410.0000 -41.63933 -39.95852 1.68080 1.97663 -39.52397 711.86087
4415.0000 -41.08744 -39.56285 1.52459 1.87862 -40.19707 581.53755
4420.0000 -41.49334 -40.00348 1.48986 1.93611 -39.80226 670.95545
4425.0000 -41.56902 -40.49722 1.07180 1.87310 -40.23499 583.60648
4430.0000 -41.32664 -39.50410 1.82254 1.89490 -40.08529 644.76524
4435.0000 -41.22385 -39.24219 1.98166 2.04884 -39.02801 775.10083
4440.0000 -40.86067 -38.99992 1.86076 2.07459 -38.85111 816.53748
4445.0000 -40.55919 -38.88951 1.66968 2.01079 -39.28935 691.69245
4450.0000 -40.70262 -38.87254 1.83008 2.05691 -38.97253 817.98256
4455.0000 -40.53696 -38.90520 1.63176 2.05620 -38.97744 807.76807
4460.0000 -40.75519 -39.10775 1.64744 2.02802 -39.17095 767.63541
4465.0000 -41.28923 -39.46870 1.82053 2.00640 -39.31948 736.43336
4470.0000 -41.48789 -40.00600 1.48189 1.93890 -39.78310 688.89999
4475.0000 -41.23093 -39.93639 1.29454 1.92571 -39.87365 647.69212
4480.0000 -41.44407 -39.91520 1.52887 1.91969 -39.91505 636.67508
4485.0000 -40.83258 -39.46897 1.36362 1.96458 -39.60670 694.77153
4490.0000 -40.64011 -38.55564 2.08448 2.04800 -39.03379 782.52314
4495.0000 -41.22958 -39.55005 1.67953 2.01788 -39.24063 714.02254
4500.0000 -41.89962 -39.79238 2.10724 1.90967 -39.98382 588.72150
FREEZING PROCESS: loop number 19 T-loop= 674.00000000000000
main_MD> interactions number 19 at Temperature= 674.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.80721 0.22561 -1.22479
force_rgl> df(natom) -1.01567 0.74518 -2.25287
4505.0000 -41.23077 -39.59872 1.63205 1.96849 -39.57985 697.86594
4510.0000 -41.48572 -40.03462 1.45110 1.93763 -39.79184 638.10585
4515.0000 -41.34541 -39.70965 1.63576 1.92089 -39.90675 645.73772
4520.0000 -41.65491 -40.24908 1.40584 1.90519 -40.01463 635.56321
4525.0000 -41.51518 -39.93552 1.57966 1.88215 -40.17283 593.45321
4530.0000 -41.63747 -39.48408 2.15339 2.02921 -39.16278 795.70588
4535.0000 -41.64754 -40.36156 1.28598 1.90097 -40.04357 638.87543
4540.0000 -41.14687 -39.71193 1.43494 1.86767 -40.27232 564.03894
4545.0000 -41.27033 -39.80443 1.46591 1.97923 -39.50611 702.83732
4550.0000 -41.94021 -40.65931 1.28091 1.86851 -40.26655 592.50361
4555.0000 -41.69250 -40.22453 1.46797 1.85290 -40.37378 587.36632
4560.0000 -41.47760 -40.11888 1.35872 1.89254 -40.10147 604.35999
4565.0000 -41.28576 -39.58396 1.70180 1.94409 -39.74744 672.71779
4570.0000 -41.35436 -39.09468 2.25968 2.01283 -39.27529 776.33771
4575.0000 -41.60718 -39.83755 1.76964 2.00149 -39.35318 746.19438
4580.0000 -41.54462 -40.19201 1.35261 1.93860 -39.78516 652.92342
4585.0000 -41.47750 -40.10523 1.37226 1.90132 -40.04121 658.02732
4590.0000 -41.86636 -40.62364 1.24271 1.86557 -40.28673 599.73680
4595.0000 -41.22419 -39.65184 1.57234 1.86065 -40.32055 578.92461
4600.0000 -41.80835 -40.43157 1.37678 1.91009 -39.98092 646.66509
4605.0000 -41.50847 -40.50842 1.00005 1.80359 -40.71245 495.09708
4610.0000 -41.80315 -40.07797 1.72518 1.89442 -40.08859 642.79885
4615.0000 -41.73884 -39.90582 1.83302 1.90287 -40.03053 617.92891
4620.0000 -41.76092 -40.24348 1.51744 1.83548 -40.49342 495.37698
4625.0000 -41.73889 -40.57590 1.16299 1.82880 -40.53927 561.35104
4630.0000 -41.49995 -40.03541 1.46454 1.84045 -40.45928 550.54983
4635.0000 -41.47441 -39.74581 1.72860 1.92583 -39.87282 658.98496
4640.0000 -41.18889 -40.07850 1.11039 1.95190 -39.69380 653.29089
4645.0000 -41.06462 -39.53257 1.53205 1.94073 -39.77049 666.68687
4650.0000 -41.07242 -39.32658 1.74583 1.96184 -39.62551 679.88726
4655.0000 -40.92349 -39.71498 1.20851 1.97672 -39.52329 692.24637
4660.0000 -41.43522 -39.72815 1.70707 1.93436 -39.81427 654.99886
4665.0000 -40.80297 -39.44766 1.35531 1.98266 -39.48250 698.93265
4670.0000 -41.25763 -39.66960 1.58803 1.91395 -39.95444 638.56409
4675.0000 -40.85168 -39.19751 1.65417 1.98182 -39.48831 691.97592
4680.0000 -41.36752 -40.07470 1.29282 1.92889 -39.85181 626.25155
4685.0000 -41.44097 -39.78516 1.65581 1.90687 -40.00305 618.13258
4690.0000 -40.43799 -39.03540 1.40258 2.01909 -39.23229 788.14366
4695.0000 -40.63673 -38.87457 1.76216 2.03636 -39.11367 704.57214
4700.0000 -41.30453 -39.72084 1.58369 2.02311 -39.20468 729.04822
4705.0000 -41.32687 -39.33911 1.98776 1.93469 -39.81200 664.57943
4710.0000 -41.63801 -39.61585 2.02216 2.00106 -39.35611 792.94345
4715.0000 -41.13770 -39.71142 1.42628 1.96537 -39.60125 682.16011
4720.0000 -40.96096 -39.72023 1.24073 1.91914 -39.91877 671.57899
4725.0000 -41.35541 -39.85903 1.49638 1.95362 -39.68195 723.62632
4730.0000 -41.34112 -39.92073 1.42039 1.92699 -39.86492 648.74920
4735.0000 -41.50310 -40.23321 1.26990 1.88383 -40.16130 595.26468
4740.0000 -41.99775 -39.84779 2.14996 1.90211 -40.03574 614.64835
4745.0000 -41.05732 -39.41587 1.64145 2.01711 -39.24589 806.35771
4750.0000 -41.24665 -39.60832 1.63833 1.96467 -39.60608 668.99762
FREEZING PROCESS: loop number 20 T-loop= 649.00000000000000
main_MD> interactions number 20 at Temperature= 649.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05921 -0.10989 1.15523
force_rgl> df(natom) -4.32280 -5.02999 -2.16544
4755.0000 -41.48137 -39.92708 1.55429 1.94565 -39.73672 662.07615
4760.0000 -41.49103 -40.23036 1.26066 1.88777 -40.13427 660.28428
4765.0000 -41.11835 -40.14602 0.97233 1.90102 -40.04326 624.48613
4770.0000 -41.48114 -39.96907 1.51207 1.85720 -40.34422 537.95678
4775.0000 -41.51111 -39.82781 1.68330 1.91824 -39.92495 622.96288
4780.0000 -41.35049 -40.12369 1.22680 1.88955 -40.12202 611.00931
4785.0000 -40.95736 -39.41679 1.54057 1.95388 -39.68019 658.54961
4790.0000 -41.08037 -39.45888 1.62149 1.97134 -39.56028 685.45580
4795.0000 -42.08915 -40.56857 1.52059 1.86641 -40.28097 568.13699
4800.0000 -41.51399 -40.51972 0.99426 1.82963 -40.53358 536.16524
4805.0000 -41.50219 -40.57226 0.92993 1.83330 -40.50835 545.55257
4810.0000 -41.85076 -40.53148 1.31928 1.84178 -40.45011 552.17304
4815.0000 -41.67678 -40.59172 1.08506 1.82323 -40.57750 532.07524
4820.0000 -41.46821 -40.35190 1.11631 1.84251 -40.44512 527.71777
4825.0000 -41.64954 -40.26806 1.38148 1.88160 -40.17663 598.37823
4830.0000 -41.81552 -40.04762 1.76790 1.89734 -40.06853 593.83685
4835.0000 -41.29669 -39.79437 1.50232 1.91648 -39.93710 656.95862
4840.0000 -41.42865 -40.22632 1.20233 1.93193 -39.83096 653.84915
4845.0000 -41.48224 -39.89362 1.58862 1.86909 -40.26254 583.19884
4850.0000 -41.17167 -40.12355 1.04812 1.92276 -39.89391 620.79637
4855.0000 -41.26110 -39.81121 1.44990 1.92643 -39.86870 680.29040
4860.0000 -41.90700 -40.65525 1.25174 1.88770 -40.13472 596.82338
4865.0000 -41.34143 -40.11445 1.22698 1.85565 -40.35486 553.93744
4870.0000 -41.27107 -39.79224 1.47883 1.90605 -40.00873 616.81710
4875.0000 -41.29328 -39.89596 1.39732 1.96762 -39.58583 690.49543
4880.0000 -41.52683 -40.01707 1.50975 1.93683 -39.79729 679.51215
4885.0000 -41.86267 -40.27254 1.59012 1.82212 -40.58514 499.84873
4890.0000 -41.86074 -40.53400 1.32674 1.86528 -40.28872 608.47310
4895.0000 -41.58365 -40.02360 1.56005 1.89865 -40.05952 619.61737
4900.0000 -41.18300 -39.74336 1.43964 1.93290 -39.82429 664.09728
4905.0000 -41.49448 -40.01196 1.48252 1.91477 -39.94884 626.57855
4910.0000 -41.70406 -39.81950 1.88456 1.93837 -39.78672 708.04108
4915.0000 -41.39431 -40.21249 1.18182 1.89880 -40.05852 628.03163
4920.0000 -41.65315 -40.45994 1.19321 1.80584 -40.69699 495.05987
4925.0000 -40.91496 -39.86540 1.04956 1.92679 -39.86624 615.69812
4930.0000 -41.39876 -39.91832 1.48044 1.92451 -39.88194 635.36200
4935.0000 -41.29638 -39.70711 1.58926 1.94490 -39.74189 621.56661
4940.0000 -41.49042 -40.33798 1.15244 1.91078 -39.97619 624.61343
4945.0000 -41.44543 -39.93608 1.50936 1.88216 -40.17279 568.66485
4950.0000 -41.64339 -40.56829 1.07510 1.86377 -40.29910 585.66217
4955.0000 -41.65855 -40.11203 1.54652 1.84679 -40.41572 582.44864
4960.0000 -41.49733 -40.18590 1.31143 1.90150 -40.03996 610.10532
4965.0000 -41.53052 -40.13220 1.39832 1.91221 -39.96642 648.21802
4970.0000 -41.32247 -39.76423 1.55823 1.92051 -39.90937 601.23651
4975.0000 -41.32497 -39.83155 1.49341 1.94444 -39.74503 702.13388
4980.0000 -40.66090 -39.43551 1.22539 1.95660 -39.66149 700.09539
4985.0000 -41.37347 -39.70000 1.67347 1.97411 -39.54122 682.39771
4990.0000 -41.26588 -39.85638 1.40950 1.94028 -39.77357 696.40868
4995.0000 -41.42336 -39.86047 1.56289 1.92908 -39.85050 650.01117
5000.0000 -41.32735 -39.56698 1.76038 1.95154 -39.69624 646.51504
FREEZING PROCESS: loop number 21 T-loop= 624.00000000000000
main_MD> interactions number 21 at Temperature= 624.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.88291 -0.00276 0.23685
force_rgl> df(natom) -0.70022 1.18735 -1.61664
5005.0000 -41.70421 -39.15953 2.54468 2.04528 -39.05246 781.50585
5010.0000 -41.95229 -39.95585 1.99643 1.98376 -39.47495 710.97897
5015.0000 -41.13333 -39.72077 1.41256 1.97833 -39.51229 730.62594
5020.0000 -41.49514 -40.21130 1.28383 1.90968 -39.98379 640.49764
5025.0000 -41.59116 -39.81533 1.77583 1.88280 -40.16836 616.23051
5030.0000 -40.98209 -39.69559 1.28650 1.93472 -39.81179 642.39319
5035.0000 -41.50411 -39.40583 2.09828 1.95851 -39.64841 749.46640
5040.0000 -41.22421 -39.35894 1.86527 2.00037 -39.36088 760.24911
5045.0000 -40.91290 -39.79206 1.12084 1.92909 -39.85043 632.75020
5050.0000 -41.30624 -39.28867 2.01757 1.98764 -39.44834 732.33375
5055.0000 -40.84587 -39.09189 1.75398 2.03116 -39.14943 746.12710
5060.0000 -41.44762 -39.68479 1.76283 2.02062 -39.22181 769.03259
5065.0000 -40.95215 -39.54711 1.40505 1.98336 -39.47773 769.32582
5070.0000 -41.08642 -39.36318 1.72324 1.98152 -39.49036 711.10953
5075.0000 -40.96547 -39.25012 1.71535 1.95756 -39.65493 654.75682
5080.0000 -41.66519 -40.16855 1.49663 1.96789 -39.58398 669.49467
5085.0000 -41.63929 -40.10195 1.53734 1.87324 -40.23408 593.31936
5090.0000 -41.39114 -39.21671 2.17443 1.95685 -39.65982 705.93004
5095.0000 -40.95280 -39.12008 1.83272 2.01770 -39.24185 756.94763
5100.0000 -41.56856 -39.98616 1.58239 2.00397 -39.33617 718.00136
5105.0000 -41.19868 -38.98776 2.21092 1.96828 -39.58128 678.22365
5110.0000 -41.37072 -38.93411 2.43661 2.00967 -39.29703 712.39602
5115.0000 -41.01089 -39.57254 1.43835 1.98491 -39.46708 692.15963
5120.0000 -41.49331 -39.84718 1.64613 1.94969 -39.70900 672.47461
5125.0000 -41.20164 -39.92352 1.27812 1.92646 -39.86850 636.67792
5130.0000 -41.62035 -40.00761 1.61275 1.86428 -40.29560 557.56623
5135.0000 -40.30225 -38.65477 1.64748 1.97213 -39.55486 699.49993
5140.0000 -40.80842 -39.07442 1.73400 2.05034 -39.01766 781.45185
5145.0000 -41.30770 -39.24042 2.06727 2.04564 -39.04996 793.16794
5150.0000 -41.66869 -39.93641 1.73228 1.96831 -39.58109 689.28773
5155.0000 -40.93018 -39.34478 1.58540 1.94333 -39.75269 655.44048
5160.0000 -41.17587 -39.62955 1.54632 1.99339 -39.40885 736.25413
5165.0000 -41.11606 -39.45979 1.65627 1.97037 -39.56697 701.62583
5170.0000 -41.70050 -40.37845 1.32205 1.92061 -39.90869 612.66407
5175.0000 -41.59924 -40.10205 1.49719 1.88480 -40.15466 556.38637
5180.0000 -42.41394 -41.12332 1.29062 1.82883 -40.53905 533.89529
5185.0000 -41.95410 -40.52393 1.43017 1.79478 -40.77295 514.40781
5190.0000 -41.72578 -40.01828 1.70751 1.88649 -40.14307 597.06699
5195.0000 -40.92359 -39.22641 1.69718 1.99038 -39.42951 714.14244
5200.0000 -41.34230 -39.16559 2.17671 2.01303 -39.27392 724.35647
5205.0000 -40.92640 -39.45968 1.46673 1.99649 -39.38751 710.88108
5210.0000 -41.84694 -40.13950 1.70744 1.93484 -39.81098 651.73204
5215.0000 -41.47227 -40.30263 1.16964 1.87740 -40.20545 600.81426
5220.0000 -41.04187 -39.68108 1.36078 1.88493 -40.15377 623.79639
5225.0000 -41.44013 -40.13104 1.30909 1.96456 -39.60684 714.30661
5230.0000 -41.81029 -40.58500 1.22528 1.88769 -40.13484 632.63211
5235.0000 -41.79493 -40.70208 1.09286 1.80268 -40.71870 500.50084
5240.0000 -42.13660 -40.88208 1.25452 1.83105 -40.52385 539.61461
5245.0000 -41.29872 -40.16254 1.13618 1.85271 -40.37509 532.13296
5250.0000 -41.71442 -39.72091 1.99351 1.94043 -39.77255 684.20913
FREEZING PROCESS: loop number 22 T-loop= 599.00000000000000
main_MD> interactions number 22 at Temperature= 599.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.79562 0.99263 -0.51432
force_rgl> df(natom) -1.12343 -1.75008 1.76355
5255.0000 -41.50517 -40.15190 1.35327 1.95636 -39.66315 681.75327
5260.0000 -41.88859 -40.68819 1.20040 1.90096 -40.04364 631.24650
5265.0000 -41.65529 -40.41204 1.24325 1.86753 -40.27327 603.51385
5270.0000 -41.76842 -40.29114 1.47728 1.84988 -40.39450 567.95476
5275.0000 -41.58307 -40.47122 1.11186 1.84593 -40.42163 569.36807
5280.0000 -41.91265 -40.60082 1.31183 1.84684 -40.41541 553.25783
5285.0000 -41.37154 -39.86671 1.50483 1.87157 -40.24551 569.26857
5290.0000 -41.73534 -40.55958 1.17576 1.88228 -40.17196 593.65866
5295.0000 -41.48200 -39.78876 1.69324 1.88727 -40.13771 618.69428
5300.0000 -40.98431 -39.57470 1.40961 1.96657 -39.59307 657.01846
5305.0000 -41.39949 -39.70798 1.69152 1.99260 -39.41424 672.35902
5310.0000 -40.53975 -39.21659 1.32315 1.95858 -39.64790 663.79994
5315.0000 -40.61526 -39.17267 1.44259 2.03888 -39.09638 752.81461
5320.0000 -40.92831 -39.76185 1.16645 1.94992 -39.70739 683.37802
5325.0000 -41.42742 -39.79569 1.63173 1.97611 -39.52753 700.21113
5330.0000 -41.41286 -39.85834 1.55451 1.93337 -39.82109 658.46142
5335.0000 -41.57987 -40.21796 1.36191 1.91132 -39.97253 661.81269
5340.0000 -41.83731 -40.85680 0.98051 1.80884 -40.67635 516.29884
5345.0000 -41.84299 -40.49234 1.35065 1.79545 -40.76832 476.36588
5350.0000 -41.58200 -39.75325 1.82874 1.92661 -39.86748 625.89978
5355.0000 -41.32380 -39.85075 1.47306 1.91275 -39.96266 612.56270
5360.0000 -41.96025 -40.60439 1.35585 1.86801 -40.26997 584.22267
5365.0000 -42.09718 -40.67591 1.42127 1.80782 -40.68339 508.82300
5370.0000 -41.95690 -39.95173 2.00517 1.90491 -40.01654 622.95424
5375.0000 -41.80328 -40.74854 1.05475 1.87395 -40.22917 609.32538
5380.0000 -41.76764 -40.21357 1.55407 1.80677 -40.69056 511.78263
5385.0000 -41.15663 -39.81185 1.34478 1.93130 -39.83527 662.26834
5390.0000 -41.28674 -40.26281 1.02393 1.87971 -40.18961 574.86620
5395.0000 -41.56041 -40.36487 1.19554 1.83568 -40.49199 557.77156
5400.0000 -41.34068 -39.98901 1.35167 1.92294 -39.89273 632.69733
5405.0000 -41.59024 -40.51200 1.07824 1.86011 -40.32421 562.14547
5410.0000 -41.76161 -40.61905 1.14256 1.86866 -40.26553 570.31923
5415.0000 -41.51976 -40.30578 1.21398 1.81503 -40.63386 500.08336
5420.0000 -41.37258 -40.48061 0.89197 1.83068 -40.52637 534.74426
5425.0000 -41.57142 -40.63339 0.93803 1.81308 -40.64723 501.41091
5430.0000 -41.83198 -40.99536 0.83662 1.77766 -40.89055 466.83918
5435.0000 -41.30343 -39.93461 1.36882 1.85804 -40.33843 579.76743
5440.0000 -41.29605 -40.01410 1.28195 1.91375 -39.95580 602.33122
5445.0000 -40.94725 -39.41305 1.53420 1.96089 -39.63208 712.41829
5450.0000 -41.50594 -40.46672 1.03922 1.89627 -40.07586 604.89077
5455.0000 -41.55908 -40.50163 1.05745 1.88785 -40.13368 624.32485
5460.0000 -41.35956 -40.04746 1.31210 1.87370 -40.23092 635.54645
5465.0000 -41.98916 -40.53769 1.45147 1.81798 -40.61357 496.49330
5470.0000 -41.39163 -40.16594 1.22569 1.88916 -40.12473 602.23119
5475.0000 -41.36939 -40.01176 1.35763 1.90932 -39.98627 585.99913
5480.0000 -41.54420 -40.45744 1.08676 1.90303 -40.02942 584.73898
5485.0000 -41.75288 -40.55490 1.19798 1.77327 -40.92070 448.32423
5490.0000 -40.96839 -39.71464 1.25374 1.91781 -39.92791 639.88144
5495.0000 -41.58739 -40.09395 1.49344 1.91578 -39.94190 653.10736
5500.0000 -41.43065 -40.03089 1.39976 1.88297 -40.16724 575.05983
FREEZING PROCESS: loop number 23 T-loop= 574.00000000000000
main_MD> interactions number 23 at Temperature= 574.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85417 0.37847 1.83245
force_rgl> df(natom) 0.76519 -0.92330 -1.43449
5505.0000 -41.86151 -40.63389 1.22762 1.83209 -40.51672 556.20601
5510.0000 -42.05252 -40.67936 1.37316 1.84194 -40.44905 566.19115
5515.0000 -42.09736 -40.47793 1.61943 1.83595 -40.49019 538.42402
5520.0000 -41.01810 -39.90663 1.11147 1.87567 -40.21733 594.57160
5525.0000 -41.60836 -39.92859 1.67977 1.92136 -39.90355 658.63207
5530.0000 -41.59380 -40.31125 1.28255 1.92574 -39.87350 623.42514
5535.0000 -41.37495 -40.22864 1.14631 1.86743 -40.27398 567.11114
5540.0000 -41.99305 -40.70921 1.28384 1.80963 -40.67093 503.27885
5545.0000 -41.97878 -40.90021 1.07857 1.80757 -40.68506 561.22506
5550.0000 -42.05541 -40.60150 1.45391 1.79830 -40.74876 548.12721
5555.0000 -41.46075 -40.27106 1.18968 1.87574 -40.21688 610.41502
5560.0000 -42.13009 -40.68840 1.44169 1.82231 -40.58388 513.86756
5565.0000 -41.68841 -40.39318 1.29523 1.82572 -40.56046 503.33998
5570.0000 -41.75038 -40.51404 1.23633 1.80255 -40.71957 504.49752
5575.0000 -41.52292 -40.26987 1.25304 1.88796 -40.13296 616.32504
5580.0000 -41.85571 -40.74608 1.10963 1.86238 -40.30862 540.21459
5585.0000 -42.18256 -40.78368 1.39887 1.79392 -40.77887 492.65996
5590.0000 -41.59793 -40.57127 1.02667 1.81193 -40.65512 495.26609
5595.0000 -41.98520 -40.48522 1.49998 1.87217 -40.24140 593.93710
5600.0000 -41.97076 -40.51204 1.45872 1.84194 -40.44902 555.75352
5605.0000 -41.79159 -40.06523 1.72636 1.88878 -40.12733 624.05512
5610.0000 -41.64724 -39.95838 1.68886 1.88602 -40.14627 635.68336
5615.0000 -41.28538 -39.92925 1.35613 1.90445 -40.01967 591.22587
5620.0000 -41.36452 -40.54851 0.81601 1.88951 -40.12233 591.72674
5625.0000 -41.96257 -40.35326 1.60931 1.87033 -40.25403 578.68276
5630.0000 -41.65496 -40.11940 1.53557 1.89518 -40.08334 639.59912
5635.0000 -41.46125 -40.49988 0.96137 1.86267 -40.30668 539.52162
5640.0000 -41.27964 -40.01568 1.26396 1.87112 -40.24864 594.74239
5645.0000 -41.23765 -40.22446 1.01319 1.90982 -39.98280 608.54590
5650.0000 -42.01680 -40.49488 1.52192 1.86125 -40.31641 583.51053
5655.0000 -42.04588 -41.16000 0.88588 1.79302 -40.78503 517.99166
5660.0000 -42.03186 -40.95942 1.07244 1.73422 -41.18889 404.43817
5665.0000 -41.59729 -40.42453 1.17277 1.79877 -40.74550 501.97043
5670.0000 -41.57591 -40.33627 1.23964 1.87530 -40.21989 556.20764
5675.0000 -41.37605 -40.45832 0.91772 1.84894 -40.40097 532.92143
5680.0000 -41.69215 -40.31437 1.37778 1.85812 -40.33792 564.52887
5685.0000 -41.59776 -39.76709 1.83067 1.90706 -40.00178 624.15263
5690.0000 -41.98009 -40.39222 1.58787 1.90994 -39.98196 659.75419
5695.0000 -41.79008 -40.58755 1.20253 1.83673 -40.48480 550.87510
5700.0000 -41.89937 -40.32465 1.57471 1.81830 -40.61141 523.45611
5705.0000 -41.49108 -40.40202 1.08906 1.83876 -40.47087 544.23729
5710.0000 -41.44578 -40.21749 1.22829 1.85285 -40.37413 566.52692
5715.0000 -41.67328 -40.63961 1.03367 1.83891 -40.46984 506.20433
5720.0000 -41.79670 -40.21468 1.58201 1.81946 -40.60342 514.52825
5725.0000 -41.23518 -39.64468 1.59050 1.91943 -39.91680 618.97439
5730.0000 -41.33508 -39.68637 1.64870 1.94428 -39.74615 656.42856
5735.0000 -41.31161 -39.88401 1.42761 1.94161 -39.76444 696.38630
5740.0000 -42.26559 -40.88104 1.38455 1.87212 -40.24177 583.74563
5745.0000 -41.81452 -40.97411 0.84042 1.78337 -40.85130 475.90830
5750.0000 -41.82856 -40.43365 1.39491 1.82549 -40.56200 540.95712
FREEZING PROCESS: loop number 24 T-loop= 549.00000000000000
main_MD> interactions number 24 at Temperature= 549.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.88918 0.98736 -0.50711
force_rgl> df(natom) 0.42533 -0.21432 1.18560
5755.0000 -41.84013 -40.74660 1.09353 1.82371 -40.57427 531.13087
5760.0000 -41.73010 -40.56816 1.16194 1.82015 -40.59872 522.65852
5765.0000 -41.40311 -40.11569 1.28742 1.86599 -40.28381 561.07022
5770.0000 -42.17976 -40.93955 1.24021 1.84172 -40.45051 538.30351
5775.0000 -41.85190 -40.75780 1.09409 1.78675 -40.82807 471.89085
5780.0000 -42.02614 -40.63056 1.39557 1.79963 -40.73964 541.90641
5785.0000 -41.56086 -40.20686 1.35399 1.86637 -40.28125 583.14409
5790.0000 -41.71500 -40.51863 1.19637 1.86481 -40.29199 565.58371
5795.0000 -41.82683 -40.30593 1.52090 1.86863 -40.26571 584.41235
5800.0000 -41.58322 -40.29066 1.29256 1.83999 -40.46241 585.94690
5805.0000 -42.02445 -41.10506 0.91940 1.80768 -40.68431 485.98593
5810.0000 -42.29631 -40.94851 1.34780 1.76632 -40.96843 441.77383
5815.0000 -41.90955 -40.50930 1.40025 1.79807 -40.75037 507.88410
5820.0000 -41.57004 -40.03654 1.53351 1.81130 -40.65945 517.16046
5825.0000 -41.73615 -40.29213 1.44402 1.86851 -40.26657 588.10229
5830.0000 -42.18931 -40.89381 1.29550 1.88399 -40.16021 611.12309
5835.0000 -42.07131 -41.16991 0.90140 1.75113 -41.07275 440.82966
5840.0000 -42.21439 -41.19334 1.02104 1.76509 -40.97688 449.73219
5845.0000 -42.15184 -41.01566 1.13618 1.74603 -41.10779 430.46709
5850.0000 -42.25678 -41.36938 0.88741 1.74980 -41.08186 420.57035
5855.0000 -41.90310 -40.89705 1.00606 1.72725 -41.23675 424.37543
5860.0000 -41.92862 -40.72192 1.20670 1.78335 -40.85147 502.68825
5865.0000 -41.87172 -40.43673 1.43499 1.83196 -40.51756 536.67980
5870.0000 -41.41382 -40.45623 0.95759 1.81853 -40.60980 508.45342
5875.0000 -41.89840 -40.75299 1.14541 1.88119 -40.17942 594.69747
5880.0000 -41.70365 -40.78669 0.91696 1.81667 -40.62262 526.46973
5885.0000 -41.83897 -40.67080 1.16817 1.83320 -40.50908 533.82029
5890.0000 -41.75735 -40.59981 1.15754 1.80130 -40.72818 493.72478
5895.0000 -41.58400 -39.97412 1.60988 1.91445 -39.95102 630.32658
5900.0000 -41.66006 -40.07807 1.58199 1.94013 -39.77465 676.21992
5905.0000 -41.46831 -40.38189 1.08642 1.89356 -40.09447 609.88820
5910.0000 -41.72379 -40.63324 1.09055 1.84162 -40.45123 530.52069
5915.0000 -41.64107 -40.35111 1.28996 1.86092 -40.31864 561.45008
5920.0000 -41.93689 -40.94745 0.98945 1.81677 -40.62193 516.46786
5925.0000 -41.66834 -40.19974 1.46860 1.82076 -40.59449 486.90978
5930.0000 -41.37890 -39.68403 1.69487 1.86959 -40.25914 580.30944
5935.0000 -42.02868 -40.63039 1.39829 1.84606 -40.42070 528.45350
5940.0000 -41.83273 -40.77470 1.05804 1.82273 -40.58095 518.98573
5945.0000 -41.63992 -40.06465 1.57528 1.84152 -40.45194 566.36079
5950.0000 -41.47169 -40.14751 1.32418 1.89935 -40.05469 637.20348
5955.0000 -41.32625 -40.08479 1.24146 1.89485 -40.08560 619.00301
5960.0000 -41.30608 -39.96596 1.34012 1.88436 -40.15768 559.08252
5965.0000 -42.16076 -40.89985 1.26091 1.88316 -40.16594 619.21672
5970.0000 -42.24585 -40.49726 1.74859 1.83921 -40.46776 546.33680
5975.0000 -42.21310 -40.72123 1.49187 1.86672 -40.27881 577.97593
5980.0000 -41.18485 -40.10211 1.08274 1.86569 -40.28590 562.03114
5985.0000 -41.63918 -40.19187 1.44731 1.86764 -40.27249 594.33492
5990.0000 -41.90540 -40.33825 1.56716 1.86511 -40.28986 587.61709
5995.0000 -41.75994 -40.13670 1.62324 1.85154 -40.38310 535.72108
6000.0000 -41.88338 -40.60388 1.27950 1.84507 -40.42754 555.37909
FREEZING PROCESS: loop number 25 T-loop= 524.00000000000000
main_MD> interactions number 25 at Temperature= 524.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78946 0.08364 0.18785
force_rgl> df(natom) -0.02229 -0.70328 3.08639
6005.0000 -41.98961 -40.90569 1.08393 1.79538 -40.76880 473.85383
6010.0000 -41.59055 -40.45147 1.13908 1.79415 -40.77725 491.70470
6015.0000 -42.06681 -40.23889 1.82792 1.87096 -40.24973 563.59611
6020.0000 -41.65709 -40.59484 1.06225 1.85939 -40.32921 580.72527
6025.0000 -41.44602 -40.44863 0.99739 1.86331 -40.30223 547.05879
6030.0000 -41.83822 -40.78550 1.05271 1.80887 -40.67618 492.32406
6035.0000 -41.72706 -40.73031 0.99675 1.82870 -40.53995 535.56336
6040.0000 -41.73606 -40.82948 0.90657 1.80109 -40.72960 481.12520
6045.0000 -42.27532 -41.09655 1.17877 1.78221 -40.85926 487.66457
6050.0000 -41.58320 -40.66552 0.91769 1.75947 -41.01545 464.15103
6055.0000 -41.40690 -40.03791 1.36898 1.83174 -40.51909 514.52373
6060.0000 -41.78867 -40.49747 1.29120 1.87242 -40.23966 560.44626
6065.0000 -42.03637 -40.71007 1.32630 1.84300 -40.44172 508.55625
6070.0000 -41.65336 -40.65621 0.99714 1.82328 -40.57718 515.33810
6075.0000 -41.49319 -40.48600 1.00719 1.83533 -40.49441 548.71829
6080.0000 -41.81548 -40.51707 1.29841 1.84551 -40.42450 496.89744
6085.0000 -41.59379 -39.87744 1.71634 1.85717 -40.34440 544.24383
6090.0000 -42.13222 -40.87767 1.25455 1.83004 -40.53073 523.04652
6095.0000 -41.98656 -41.01257 0.97399 1.80158 -40.72623 500.81294
6100.0000 -41.80583 -40.11106 1.69477 1.81589 -40.62795 517.47318
6105.0000 -41.53662 -40.13103 1.40559 1.88260 -40.16974 605.05108
6110.0000 -41.55816 -40.43494 1.12322 1.84693 -40.41478 565.61247
6115.0000 -41.92167 -40.94579 0.97588 1.76371 -40.98631 445.43959
6120.0000 -41.65004 -40.84075 0.80929 1.84368 -40.43711 574.01859
6125.0000 -42.22085 -41.02176 1.19908 1.75331 -41.05776 445.42585
6130.0000 -42.14132 -41.06494 1.07638 1.78906 -40.81221 484.36438
6135.0000 -41.86389 -40.43466 1.42923 1.81450 -40.63752 540.62295
6140.0000 -41.70878 -40.57632 1.13246 1.82294 -40.57956 547.49426
6145.0000 -41.94772 -40.92291 1.02481 1.79356 -40.78134 496.74613
6150.0000 -42.09417 -40.95727 1.13690 1.75499 -41.04622 461.58706
6155.0000 -41.67391 -40.66282 1.01108 1.77965 -40.87684 455.83888
6160.0000 -41.85127 -40.42626 1.42501 1.83208 -40.51674 544.14930
6165.0000 -41.67973 -40.41717 1.26257 1.83876 -40.47089 575.00580
6170.0000 -42.05357 -41.30059 0.75299 1.75049 -41.07714 450.47442
6175.0000 -42.06532 -41.22631 0.83901 1.72445 -41.25598 393.78770
6180.0000 -41.60899 -40.58828 1.02071 1.75751 -41.02893 430.55570
6185.0000 -42.05550 -41.15416 0.90134 1.81227 -40.65280 524.45833
6190.0000 -41.41965 -40.66629 0.75336 1.79949 -40.74058 501.73422
6195.0000 -41.78198 -40.81922 0.96276 1.80084 -40.73135 472.97148
6200.0000 -41.42177 -40.26572 1.15605 1.81479 -40.63548 504.99216
6205.0000 -41.93179 -40.39310 1.53869 1.89416 -40.09036 612.80442
6210.0000 -42.05270 -40.91261 1.14009 1.82330 -40.57702 510.30042
6215.0000 -41.86253 -40.72994 1.13258 1.81462 -40.63670 520.07696
6220.0000 -42.01026 -40.79012 1.22014 1.83162 -40.51993 551.64226
6225.0000 -41.96699 -40.67489 1.29210 1.81430 -40.63890 521.86087
6230.0000 -41.89639 -40.33207 1.56433 1.84723 -40.41271 582.14898
6235.0000 -42.26460 -41.27810 0.98650 1.77031 -40.94101 478.15545
6240.0000 -42.21037 -41.25929 0.95108 1.72904 -41.22443 403.56949
6245.0000 -41.92369 -40.44569 1.47801 1.77757 -40.89117 458.44791
6250.0000 -42.10272 -40.90284 1.19988 1.82161 -40.58863 532.48966
FREEZING PROCESS: loop number 26 T-loop= 499.00000000000000
main_MD> interactions number 26 at Temperature= 499.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.29210 -1.66220 0.53816
force_rgl> df(natom) 3.27414 0.93173 -6.14714
6255.0000 -42.01021 -40.78852 1.22169 1.80861 -40.67797 523.71908
6260.0000 -41.47500 -40.30361 1.17138 1.85136 -40.38432 518.33350
6265.0000 -41.71316 -40.60837 1.10479 1.83779 -40.47751 490.64604
6270.0000 -42.02525 -40.81640 1.20884 1.82720 -40.55026 475.12811
6275.0000 -42.19620 -40.94328 1.25292 1.77266 -40.92490 465.16338
6280.0000 -42.02261 -40.88371 1.13890 1.75230 -41.06471 422.61697
6285.0000 -41.74832 -40.88309 0.86524 1.76237 -40.99555 418.90732
6290.0000 -41.62445 -40.50230 1.12215 1.75746 -41.02926 412.08677
6295.0000 -41.76584 -40.72146 1.04437 1.81476 -40.63570 522.67255
6300.0000 -42.34802 -41.12257 1.22544 1.76924 -40.94838 434.28318
6305.0000 -41.69898 -41.03375 0.66523 1.77938 -40.87868 458.19418
6310.0000 -41.42856 -40.42149 1.00707 1.82024 -40.59805 519.74552
6315.0000 -41.75735 -41.07364 0.68371 1.82091 -40.59349 532.47989
6320.0000 -42.07804 -41.29614 0.78190 1.72446 -41.25589 399.21605
6325.0000 -42.12226 -40.81795 1.30431 1.75458 -41.04906 451.68499
6330.0000 -42.05435 -40.97255 1.08181 1.79770 -40.75288 486.81265
6335.0000 -41.74314 -40.28132 1.46182 1.82647 -40.55531 519.56049
6340.0000 -41.64882 -40.19406 1.45476 1.91062 -39.97733 593.69037
6345.0000 -41.75074 -40.52306 1.22768 1.83683 -40.48415 522.85246
6350.0000 -41.80730 -40.57885 1.22845 1.83517 -40.49553 527.58563
6355.0000 -41.87126 -41.13422 0.73704 1.77637 -40.89939 453.91746
6360.0000 -42.21286 -40.98444 1.22841 1.75848 -41.02228 448.37589
6365.0000 -42.41961 -41.00940 1.41021 1.76931 -40.94787 453.13982
6370.0000 -42.22879 -41.38316 0.84563 1.73504 -41.18324 378.85681
6375.0000 -42.16896 -40.77754 1.39142 1.74808 -41.09371 419.39408
6380.0000 -41.34721 -40.54200 0.80521 1.82205 -40.58566 545.39390
6385.0000 -41.69861 -40.22999 1.46862 1.84157 -40.45155 549.60662
6390.0000 -41.62419 -40.09246 1.53173 1.89100 -40.11209 625.60655
6395.0000 -41.82619 -40.60088 1.22531 1.85613 -40.35156 580.57033
6400.0000 -41.73598 -40.59661 1.13937 1.80082 -40.73145 494.69671
6405.0000 -41.87831 -40.23337 1.64494 1.84197 -40.44882 518.63665
6410.0000 -41.79001 -40.76708 1.02293 1.81496 -40.63431 468.19958
6415.0000 -41.88392 -41.00858 0.87535 1.77739 -40.89239 462.29889
6420.0000 -41.87189 -40.76508 1.10681 1.78165 -40.86314 441.30879
6425.0000 -42.33576 -40.82716 1.50860 1.80125 -40.72852 516.22861
6430.0000 -41.84737 -40.15528 1.69209 1.82918 -40.53669 526.99313
6435.0000 -42.13224 -40.96474 1.16750 1.86341 -40.30159 589.90531
6440.0000 -41.96545 -40.60177 1.36368 1.79301 -40.78508 519.41307
6445.0000 -41.80763 -40.74666 1.06097 1.83158 -40.52017 550.20342
6450.0000 -41.81538 -40.66490 1.15048 1.80197 -40.72354 466.36827
6455.0000 -41.67867 -40.44768 1.23099 1.82235 -40.58360 497.54362
6460.0000 -41.79092 -40.61474 1.17618 1.84741 -40.41144 518.44487
6465.0000 -42.15384 -40.77414 1.37970 1.80903 -40.67507 487.86324
6470.0000 -41.89903 -41.02679 0.87224 1.76201 -40.99804 447.37794
6475.0000 -41.84945 -40.44502 1.40443 1.78860 -40.81542 482.85964
6480.0000 -41.82684 -40.60535 1.22148 1.82925 -40.53621 538.71483
6485.0000 -41.65915 -40.34719 1.31196 1.84823 -40.40582 594.08631
6490.0000 -42.08304 -40.89492 1.18812 1.84276 -40.44339 539.30070
6495.0000 -41.72844 -40.38951 1.33893 1.81203 -40.65443 495.13732
6500.0000 -42.25979 -40.95284 1.30695 1.78293 -40.85433 477.95468
FREEZING PROCESS: loop number 27 T-loop= 474.00000000000000
main_MD> interactions number 27 at Temperature= 474.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13628 -2.30115 -1.31265
force_rgl> df(natom) -0.00676 -0.28307 -0.44958
6505.0000 -42.18386 -41.13680 1.04706 1.74933 -41.08512 418.16776
6510.0000 -41.87318 -40.92003 0.95315 1.74568 -41.11016 410.15290
6515.0000 -42.02184 -40.78912 1.23272 1.75491 -41.04677 434.78303
6520.0000 -42.09910 -40.99416 1.10494 1.78844 -40.81650 522.06979
6525.0000 -41.96579 -40.94669 1.01910 1.78698 -40.82653 499.97887
6530.0000 -41.71990 -40.48462 1.23528 1.79681 -40.75902 488.81527
6535.0000 -41.55985 -40.68213 0.87772 1.84067 -40.45773 515.51945
6540.0000 -41.59492 -40.67639 0.91854 1.83161 -40.51997 500.72126
6545.0000 -42.19393 -41.22510 0.96883 1.78106 -40.86715 454.04915
6550.0000 -41.48224 -40.39059 1.09164 1.76858 -40.95289 466.95035
6555.0000 -41.61371 -40.57563 1.03809 1.84748 -40.41101 545.56305
6560.0000 -42.18581 -41.10863 1.07718 1.79649 -40.76118 513.84971
6565.0000 -42.46095 -41.21402 1.24694 1.74498 -41.11496 423.49028
6570.0000 -42.06166 -41.16276 0.89890 1.72108 -41.27914 393.49636
6575.0000 -42.14265 -41.13012 1.01253 1.73464 -41.18600 407.12372
6580.0000 -41.70464 -40.77732 0.92732 1.77356 -40.91866 478.54899
6585.0000 -41.83861 -40.96517 0.87344 1.78420 -40.84563 470.73986
6590.0000 -41.86203 -40.65724 1.20478 1.79806 -40.75044 480.19328
6595.0000 -42.08635 -40.82758 1.25877 1.78039 -40.87180 474.46477
6600.0000 -41.97635 -40.63533 1.34102 1.75378 -41.05455 451.56566
6605.0000 -41.52225 -40.36464 1.15761 1.82339 -40.57647 493.84482
6610.0000 -42.15456 -41.25464 0.89992 1.81276 -40.64948 470.32656
6615.0000 -41.85089 -40.84509 1.00581 1.77373 -40.91750 447.63038
6620.0000 -41.95037 -40.78176 1.16861 1.74813 -41.09332 450.88945
6625.0000 -41.78774 -40.79457 0.99317 1.79518 -40.77016 476.97242
6630.0000 -41.97491 -40.64591 1.32900 1.80068 -40.73244 496.75223
6635.0000 -41.82687 -40.78642 1.04045 1.80676 -40.69063 504.38994
6640.0000 -41.90184 -41.02971 0.87213 1.80390 -40.71031 499.78137
6645.0000 -41.70662 -40.71369 0.99293 1.76443 -40.98138 468.62651
6650.0000 -41.86937 -40.57858 1.29079 1.82221 -40.58454 534.92420
6655.0000 -41.79696 -40.70602 1.09095 1.78976 -40.80739 487.96603
6660.0000 -41.93127 -40.83474 1.09653 1.77955 -40.87752 476.90327
6665.0000 -41.64632 -40.35841 1.28791 1.83881 -40.47050 530.40140
6670.0000 -41.88126 -39.99362 1.88764 1.88602 -40.14629 622.51980
6675.0000 -41.52465 -40.49543 1.02921 1.83597 -40.49003 563.70710
6680.0000 -41.94161 -40.71880 1.22281 1.82061 -40.59555 553.64153
6685.0000 -41.91724 -40.77191 1.14532 1.78374 -40.84875 474.29810
6690.0000 -41.79659 -40.54541 1.25118 1.78015 -40.87341 474.88705
6695.0000 -42.27350 -41.13806 1.13544 1.79081 -40.80020 494.19367
6700.0000 -42.07083 -40.66257 1.40825 1.76032 -41.00961 462.53432
6705.0000 -42.04868 -40.75974 1.28894 1.79438 -40.77571 470.23892
6710.0000 -42.01255 -40.84853 1.16401 1.81618 -40.62596 529.57629
6715.0000 -42.20041 -41.03945 1.16096 1.76026 -41.01000 433.43089
6720.0000 -42.21683 -41.03849 1.17834 1.75024 -41.07886 450.75990
6725.0000 -42.08594 -40.99125 1.09468 1.75812 -41.02474 448.67709
6730.0000 -42.19981 -41.16744 1.03237 1.74987 -41.08142 457.23711
6735.0000 -42.10571 -41.32537 0.78033 1.74032 -41.14702 441.93846
6740.0000 -42.26518 -41.13710 1.12809 1.73090 -41.21169 401.66305
6745.0000 -41.61655 -40.36378 1.25277 1.75428 -41.05111 438.96263
6750.0000 -41.99931 -40.87487 1.12444 1.82111 -40.59206 525.69276
FREEZING PROCESS: loop number 28 T-loop= 449.00000000000000
main_MD> interactions number 28 at Temperature= 449.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04147 -0.67845 0.09303
force_rgl> df(natom) -0.48766 0.07565 2.24864
6755.0000 -42.26358 -41.50956 0.75402 1.73504 -41.18324 375.50549
6760.0000 -41.98882 -41.40843 0.58039 1.71687 -41.30806 370.46965
6765.0000 -42.10885 -40.75791 1.35094 1.74720 -41.09975 415.07573
6770.0000 -42.46871 -41.04758 1.42113 1.75999 -41.01186 447.72870
6775.0000 -41.91752 -41.25921 0.65831 1.72593 -41.24581 386.35892
6780.0000 -41.77942 -40.97646 0.80297 1.73639 -41.17399 407.23784
6785.0000 -42.31659 -41.35222 0.96436 1.75258 -41.06280 433.57999
6790.0000 -42.24579 -41.45268 0.79311 1.70973 -41.35710 366.23044
6795.0000 -42.27387 -41.13521 1.13865 1.71975 -41.28824 392.22806
6800.0000 -42.01802 -41.25773 0.76028 1.73428 -41.18848 401.60377
6805.0000 -41.97260 -40.66859 1.30401 1.78655 -40.82948 476.56395
6810.0000 -41.71702 -40.94204 0.77499 1.78317 -40.85265 496.19780
6815.0000 -42.04491 -41.17563 0.86928 1.75212 -41.06595 430.73085
6820.0000 -41.99782 -40.70376 1.29406 1.78828 -40.81757 459.88402
6825.0000 -42.00804 -40.88851 1.11953 1.81026 -40.66665 527.78185
6830.0000 -41.63462 -40.81279 0.82183 1.75311 -41.05914 445.92695
6835.0000 -41.73973 -40.85525 0.88448 1.76431 -40.98222 450.81233
6840.0000 -42.22419 -41.48205 0.74214 1.74844 -41.09118 431.32773
6845.0000 -41.85117 -40.84798 1.00319 1.72574 -41.24716 390.67696
6850.0000 -41.84484 -40.73455 1.11029 1.80222 -40.72183 490.10806
6855.0000 -41.91883 -40.60953 1.30931 1.80626 -40.69410 493.82975
6860.0000 -42.01735 -41.10970 0.90765 1.80185 -40.72436 504.20192
6865.0000 -41.94512 -41.34049 0.60463 1.73161 -41.20681 404.33483
6870.0000 -42.03659 -41.17602 0.86058 1.73437 -41.18783 407.74903
6875.0000 -41.98327 -40.85169 1.13158 1.77946 -40.87814 464.67786
6880.0000 -42.19087 -40.84228 1.34859 1.76862 -40.95259 448.53698
6885.0000 -41.96256 -40.90797 1.05459 1.77722 -40.89353 447.27439
6890.0000 -42.03122 -40.97800 1.05322 1.76154 -41.00127 449.23531
6895.0000 -42.37278 -41.66172 0.71105 1.73583 -41.17780 411.16267
6900.0000 -42.24503 -41.40451 0.84052 1.68987 -41.49351 351.00334
6905.0000 -41.83934 -41.08981 0.74953 1.73009 -41.21728 399.26294
6910.0000 -42.05532 -41.07429 0.98103 1.79778 -40.75237 482.02346
6915.0000 -42.27752 -41.36478 0.91274 1.75785 -41.02659 412.44609
6920.0000 -42.13997 -41.15621 0.98376 1.69891 -41.43143 349.29980
6925.0000 -42.32790 -41.64122 0.68668 1.72020 -41.28515 403.94884
6930.0000 -42.36585 -41.29974 1.06611 1.69915 -41.42972 365.05719
6935.0000 -42.35974 -41.16410 1.19564 1.74822 -41.09276 432.55710
6940.0000 -41.88249 -41.11097 0.77152 1.78114 -40.86663 456.17324
6945.0000 -41.94336 -40.73333 1.21003 1.79223 -40.79043 473.68306
6950.0000 -41.80407 -40.29895 1.50512 1.83000 -40.53103 537.43001
6955.0000 -41.74342 -40.30958 1.43384 1.84689 -40.41504 548.63136
6960.0000 -41.98050 -40.93212 1.04838 1.83541 -40.49387 551.27271
6965.0000 -42.15208 -40.97310 1.17897 1.74852 -41.09064 440.98599
6970.0000 -41.67118 -40.75346 0.91772 1.75713 -41.03153 458.09522
6975.0000 -41.61885 -40.65636 0.96249 1.79962 -40.73971 502.05015
6980.0000 -41.76641 -40.99265 0.77376 1.77589 -40.90268 442.14755
6985.0000 -42.00806 -41.02508 0.98299 1.75586 -41.04026 432.19861
6990.0000 -41.82063 -40.91934 0.90129 1.80307 -40.71601 477.47947
6995.0000 -41.70224 -40.77819 0.92405 1.82254 -40.58226 462.83731
7000.0000 -41.99848 -40.88313 1.11535 1.80081 -40.73153 458.50543
FREEZING PROCESS: loop number 29 T-loop= 424.00000000000000
main_MD> interactions number 29 at Temperature= 424.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.27816 -1.87531 -1.13054
force_rgl> df(natom) -0.08206 2.10613 2.61085
7005.0000 -42.19035 -41.31262 0.87773 1.75075 -41.07532 418.42248
7010.0000 -42.19672 -41.17822 1.01850 1.72180 -41.27419 398.21866
7015.0000 -41.92222 -41.19671 0.72551 1.76075 -41.00664 454.73672
7020.0000 -42.28534 -40.96621 1.31912 1.74383 -41.12285 410.52075
7025.0000 -42.14958 -41.44471 0.70488 1.71640 -41.31127 377.75500
7030.0000 -42.06783 -41.25092 0.81691 1.70753 -41.37223 353.49448
7035.0000 -41.97711 -40.63236 1.34475 1.75964 -41.01429 442.66956
7040.0000 -42.06304 -40.89593 1.16710 1.75630 -41.03726 446.37021
7045.0000 -42.31769 -41.21107 1.10662 1.73469 -41.18563 428.87665
7050.0000 -42.30665 -40.98170 1.32495 1.72961 -41.22055 403.46972
7055.0000 -42.20023 -41.13297 1.06726 1.74670 -41.10315 430.83974
7060.0000 -42.08249 -41.05343 1.02906 1.74689 -41.10184 430.01513
7065.0000 -42.46944 -41.71447 0.75498 1.70622 -41.38118 375.79982
7070.0000 -42.16923 -41.48559 0.68364 1.66654 -41.65374 313.13684
7075.0000 -42.21516 -41.66939 0.54577 1.68920 -41.49809 349.34985
7080.0000 -42.10011 -41.02211 1.07800 1.68076 -41.55605 325.72429
7085.0000 -42.26981 -40.93350 1.33631 1.75828 -41.02364 455.03113
7090.0000 -42.29031 -41.12735 1.16296 1.74447 -41.11850 446.56373
7095.0000 -42.32720 -41.35518 0.97203 1.71666 -41.30950 407.84140
7100.0000 -42.34891 -41.80345 0.54546 1.70301 -41.40325 376.81985
7105.0000 -42.48839 -41.58961 0.89878 1.66630 -41.65534 310.74618
7110.0000 -42.21523 -41.30473 0.91051 1.68223 -41.54598 341.50147
7115.0000 -41.95520 -41.20469 0.75051 1.71148 -41.34505 365.16025
7120.0000 -42.00475 -41.03074 0.97401 1.74372 -41.12363 407.52781
7125.0000 -41.91461 -41.17048 0.74413 1.77740 -40.89234 464.49233
7130.0000 -41.84685 -41.11272 0.73412 1.75988 -41.01267 453.79206
7135.0000 -42.10651 -40.96308 1.14343 1.74521 -41.11339 433.81819
7140.0000 -42.03731 -40.82278 1.21453 1.76848 -40.95354 463.06063
7145.0000 -42.07163 -40.93660 1.13502 1.78832 -40.81730 484.30150
7150.0000 -41.82655 -40.90497 0.92158 1.75575 -41.04099 416.64569
7155.0000 -41.53804 -40.76678 0.77126 1.77698 -40.89520 457.52901
7160.0000 -41.90662 -40.92486 0.98175 1.79175 -40.79372 483.00764
7165.0000 -42.35367 -41.12093 1.23274 1.71367 -41.33001 395.80723
7170.0000 -42.19059 -41.12999 1.06060 1.73020 -41.21646 428.49142
7175.0000 -42.15879 -41.27354 0.88526 1.71675 -41.30885 386.84731
7180.0000 -42.28291 -41.23518 1.04773 1.72638 -41.24270 403.58779
7185.0000 -41.97827 -41.08799 0.89028 1.73451 -41.18688 387.83143
7190.0000 -42.22423 -41.35674 0.86748 1.71953 -41.28977 406.71249
7195.0000 -42.11588 -40.99869 1.11718 1.77230 -40.92737 439.10636
7200.0000 -42.39483 -41.38535 1.00948 1.74849 -41.09087 422.10506
7205.0000 -42.23795 -40.79242 1.44553 1.73409 -41.18976 405.34541
7210.0000 -41.90692 -41.18899 0.71793 1.76098 -41.00510 434.60247
7215.0000 -42.00408 -40.58568 1.41840 1.78256 -40.85690 499.08535
7220.0000 -42.19704 -41.38868 0.80836 1.80358 -40.71252 478.20582
7225.0000 -42.06953 -41.14849 0.92103 1.73075 -41.21275 403.02483
7230.0000 -42.18234 -41.33766 0.84468 1.74496 -41.11511 428.37608
7235.0000 -42.08675 -40.98816 1.09859 1.74699 -41.10118 412.47936
7240.0000 -42.22398 -40.87236 1.35162 1.82018 -40.59846 539.78520
7245.0000 -41.67671 -40.73557 0.94114 1.78033 -40.87222 478.87145
7250.0000 -42.25950 -41.16439 1.09511 1.75877 -41.02030 446.96747
FREEZING PROCESS: loop number 30 T-loop= 399.00000000000000
main_MD> interactions number 30 at Temperature= 399.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59954 -1.22445 1.06533
force_rgl> df(natom) -2.90073 1.38042 1.52591
7255.0000 -41.92563 -41.03464 0.89099 1.76388 -40.98514 441.55900
7260.0000 -42.06766 -41.45361 0.61405 1.73761 -41.16561 393.54111
7265.0000 -42.21000 -41.28667 0.92333 1.71187 -41.34241 367.67153
7270.0000 -42.10345 -41.30041 0.80304 1.72768 -41.23379 383.08926
7275.0000 -42.17486 -41.13498 1.03988 1.74661 -41.10376 424.94502
7280.0000 -42.22228 -41.00405 1.21823 1.72629 -41.24333 428.16854
7285.0000 -41.88769 -40.64775 1.23994 1.77588 -40.90273 475.55603
7290.0000 -42.23249 -41.19561 1.03688 1.76825 -40.95516 441.92226
7295.0000 -42.29919 -41.09352 1.20566 1.74499 -41.11491 423.47797
7300.0000 -42.22372 -41.07196 1.15176 1.71487 -41.32179 386.93304
7305.0000 -42.21014 -41.34576 0.86437 1.73001 -41.21779 403.57528
7310.0000 -42.49697 -41.35136 1.14561 1.73088 -41.21179 410.14640
7315.0000 -42.13044 -41.18117 0.94927 1.70997 -41.35545 365.87039
7320.0000 -42.08243 -40.97819 1.10423 1.75916 -41.01758 425.54122
7325.0000 -42.02928 -40.74549 1.28380 1.76857 -40.95297 467.61762
7330.0000 -42.11781 -40.94836 1.16945 1.77989 -40.87522 507.46691
7335.0000 -42.43411 -41.64745 0.78666 1.70976 -41.35687 387.16453
7340.0000 -42.24187 -41.22378 1.01809 1.70095 -41.41741 372.21939
7345.0000 -42.25967 -41.72678 0.53289 1.68947 -41.49624 333.80698
7350.0000 -42.13480 -41.34325 0.79155 1.69121 -41.48427 318.11349
7355.0000 -42.14181 -41.14608 0.99573 1.70644 -41.37971 342.38122
7360.0000 -42.06470 -41.11796 0.94674 1.72124 -41.27802 386.22154
7365.0000 -42.13724 -41.08769 1.04955 1.72110 -41.27898 401.42079
7370.0000 -42.27249 -41.35949 0.91301 1.74337 -41.12604 384.22072
7375.0000 -42.18614 -41.42156 0.76458 1.72199 -41.27290 373.88538
7380.0000 -42.38840 -41.27303 1.11538 1.69945 -41.42769 364.41173
7385.0000 -42.47664 -41.35105 1.12559 1.70737 -41.37327 387.85930
7390.0000 -42.20306 -41.37812 0.82494 1.69856 -41.43380 360.05615
7395.0000 -42.20308 -41.40553 0.79755 1.74932 -41.08517 428.68566
7400.0000 -42.18787 -41.45117 0.73670 1.71028 -41.35332 366.72393
7405.0000 -42.29819 -41.23464 1.06356 1.71322 -41.33313 410.25094
7410.0000 -42.20272 -41.13577 1.06695 1.74347 -41.12536 444.81197
7415.0000 -42.01176 -40.90716 1.10460 1.76457 -40.98044 457.98339
7420.0000 -42.16288 -41.24143 0.92145 1.77519 -40.90752 471.09040
7425.0000 -42.13662 -41.48623 0.65039 1.71407 -41.32726 391.08208
7430.0000 -42.36094 -41.73300 0.62794 1.65695 -41.71962 289.95160
7435.0000 -42.16596 -40.93825 1.22771 1.67941 -41.56531 338.36198
7440.0000 -41.90553 -40.99635 0.90919 1.77358 -40.91854 465.79961
7445.0000 -42.13453 -40.74565 1.38889 1.76021 -41.01034 438.07439
7450.0000 -42.24106 -40.95325 1.28781 1.79194 -40.79246 500.46990
7455.0000 -42.00349 -41.28224 0.72126 1.72725 -41.23677 392.18680
7460.0000 -42.12597 -41.30383 0.82213 1.72382 -41.26032 373.46199
7465.0000 -42.02961 -41.00007 1.02954 1.73708 -41.16922 417.88253
7470.0000 -42.37060 -41.32434 1.04625 1.74624 -41.10629 409.39536
7475.0000 -42.14013 -41.31443 0.82570 1.68888 -41.50030 348.70370
7480.0000 -42.24522 -41.10531 1.13991 1.72785 -41.23265 402.81857
7485.0000 -42.32064 -41.46277 0.85787 1.71769 -41.30240 384.14193
7490.0000 -42.21717 -41.03121 1.18596 1.71980 -41.28792 389.01243
7495.0000 -41.93432 -40.90809 1.02623 1.77542 -40.90592 466.41732
7500.0000 -41.76269 -41.05524 0.70745 1.75973 -41.01367 447.81097
FREEZING PROCESS: loop number 31 T-loop= 374.00000000000000
main_MD> interactions number 31 at Temperature= 374.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96028 -0.81164 1.11387
force_rgl> df(natom) 2.14533 -1.98298 -0.75866
7505.0000 -42.39241 -41.64681 0.74560 1.69083 -41.48689 356.15480
7510.0000 -42.29413 -41.56608 0.72804 1.68434 -41.53150 341.73657
7515.0000 -42.11212 -41.24482 0.86731 1.70997 -41.35547 366.38188
7520.0000 -42.29706 -41.64532 0.65174 1.72270 -41.26800 422.37202
7525.0000 -42.34547 -41.61924 0.72623 1.65551 -41.72945 292.71302
7530.0000 -41.99096 -40.98082 1.01014 1.70694 -41.37622 376.00814
7535.0000 -42.05933 -41.22104 0.83829 1.75988 -41.01263 457.32303
7540.0000 -42.29259 -41.38268 0.90991 1.69671 -41.44653 387.83430
7545.0000 -41.86503 -41.11371 0.75133 1.72000 -41.28656 392.95011
7550.0000 -42.04942 -41.03321 1.01621 1.73804 -41.16264 413.17304
7555.0000 -42.26532 -41.33743 0.92789 1.71014 -41.35425 385.29793
7560.0000 -42.19882 -41.23320 0.96562 1.73290 -41.19792 397.49749
7565.0000 -42.34072 -41.36222 0.97851 1.69710 -41.44386 366.34884
7570.0000 -42.60845 -41.95617 0.65228 1.65842 -41.70950 316.10536
7575.0000 -42.40141 -41.47085 0.93055 1.66747 -41.64731 317.54603
7580.0000 -42.16396 -41.33681 0.82715 1.69573 -41.45327 366.39359
7585.0000 -42.32987 -41.25485 1.07502 1.69833 -41.43539 362.08288
7590.0000 -42.08317 -41.15381 0.92937 1.70232 -41.40797 370.46355
7595.0000 -41.67651 -40.85941 0.81710 1.78792 -40.82006 442.89391
7600.0000 -42.01125 -41.06490 0.94635 1.74749 -41.09777 380.63461
7605.0000 -42.38502 -41.45657 0.92844 1.71933 -41.29116 335.53309
7610.0000 -42.44356 -41.46307 0.98049 1.69639 -41.44870 352.28449
7615.0000 -42.25348 -41.01959 1.23388 1.71749 -41.30376 392.55748
7620.0000 -42.24517 -41.09876 1.14642 1.77068 -40.93849 484.42819
7625.0000 -42.08909 -41.31123 0.77785 1.72719 -41.23718 397.75974
7630.0000 -41.84269 -40.95721 0.88549 1.74776 -41.09586 414.77106
7635.0000 -41.96104 -41.10700 0.85405 1.74165 -41.13786 424.94655
7640.0000 -42.08571 -40.79829 1.28742 1.77007 -40.94269 465.09109
7645.0000 -42.12149 -41.24953 0.87197 1.74818 -41.09299 431.28647
7650.0000 -42.26675 -41.51183 0.75493 1.70600 -41.38271 366.86129
7655.0000 -42.35476 -41.42336 0.93140 1.70419 -41.39512 363.26655
7660.0000 -42.31336 -41.49059 0.82277 1.70746 -41.37267 372.76921
7665.0000 -41.87487 -40.97430 0.90056 1.72473 -41.25409 382.13433
7670.0000 -42.26204 -41.27658 0.98546 1.75858 -41.02156 444.83364
7675.0000 -41.86901 -40.91695 0.95206 1.74968 -41.08272 449.55521
7680.0000 -42.21472 -41.22887 0.98586 1.74712 -41.10031 422.74487
7685.0000 -42.20891 -41.38529 0.82361 1.72714 -41.23754 406.16378
7690.0000 -42.26129 -41.10059 1.16071 1.71243 -41.33857 375.88009
7695.0000 -42.10279 -41.23923 0.86356 1.73945 -41.15298 413.64508
7700.0000 -42.22166 -41.46571 0.75596 1.70562 -41.38530 371.80354
7705.0000 -42.36928 -41.54958 0.81970 1.67995 -41.56160 303.30764
7710.0000 -42.33305 -41.51297 0.82008 1.69479 -41.45969 341.71986
7715.0000 -41.89943 -40.93893 0.96051 1.70214 -41.40919 370.33089
7720.0000 -41.90498 -40.90325 1.00173 1.77867 -40.88361 468.85846
7725.0000 -42.30683 -41.42549 0.88133 1.72247 -41.26955 389.97169
7730.0000 -42.38331 -41.61852 0.76479 1.68439 -41.53115 342.40879
7735.0000 -42.16555 -41.32242 0.84313 1.68995 -41.49294 346.90568
7740.0000 -41.75555 -40.46078 1.29477 1.78470 -40.84220 425.79364
7745.0000 -41.89032 -41.14512 0.74520 1.80618 -40.69464 462.96310
7750.0000 -42.25726 -41.52164 0.73562 1.71412 -41.32695 353.27706
FREEZING PROCESS: loop number 32 T-loop= 349.00000000000000
main_MD> interactions number 32 at Temperature= 349.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80348 1.71450 0.35484
force_rgl> df(natom) 0.19569 1.99474 0.18345
7755.0000 -42.29954 -41.49102 0.80852 1.71201 -41.34142 363.12444
7760.0000 -42.22870 -41.63290 0.59580 1.70034 -41.42158 363.82286
7765.0000 -42.12713 -41.03777 1.08936 1.71473 -41.32273 376.87246
7770.0000 -42.49491 -41.71014 0.78477 1.71832 -41.29812 387.94947
7775.0000 -42.25486 -41.52791 0.72696 1.66558 -41.66035 315.90554
7780.0000 -42.38150 -41.63521 0.74629 1.68520 -41.52553 335.77416
7785.0000 -42.25841 -41.27624 0.98216 1.71335 -41.33220 387.74018
7790.0000 -42.25318 -41.01878 1.23440 1.72137 -41.27712 398.79647
7795.0000 -42.52743 -41.63762 0.88981 1.68990 -41.49331 344.94869
7800.0000 -42.27634 -41.34313 0.93321 1.67349 -41.60598 318.60642
7805.0000 -42.23164 -41.43428 0.79735 1.70917 -41.36092 385.22853
7810.0000 -42.36562 -41.67367 0.69195 1.68854 -41.50262 371.44997
7815.0000 -42.45524 -41.74480 0.71044 1.65144 -41.75745 316.48354
7820.0000 -42.21188 -41.49422 0.71767 1.68168 -41.54972 349.17187
7825.0000 -42.50964 -41.64545 0.86419 1.67902 -41.56801 325.42996
7830.0000 -42.18425 -41.54189 0.64236 1.68259 -41.54350 354.57562
7835.0000 -42.37113 -41.59934 0.77179 1.70688 -41.37666 383.13149
7840.0000 -42.47861 -41.47120 1.00741 1.68479 -41.52839 350.38452
7845.0000 -42.38398 -41.42934 0.95464 1.70336 -41.40086 384.37509
7850.0000 -42.24788 -41.43093 0.81695 1.69272 -41.47389 348.94554
7855.0000 -42.25620 -41.24791 1.00829 1.70177 -41.41174 365.24683
7860.0000 -42.37017 -41.49254 0.87764 1.68881 -41.50075 333.13847
7865.0000 -42.13205 -41.48298 0.64907 1.68535 -41.52451 341.71124
7870.0000 -42.27239 -41.54607 0.72632 1.69095 -41.48607 339.02865
7875.0000 -42.46177 -41.66007 0.80170 1.69034 -41.49023 365.62252
7880.0000 -42.22092 -41.51148 0.70944 1.67911 -41.56739 344.25891
7885.0000 -42.57491 -41.83898 0.73593 1.68356 -41.53680 325.88694
7890.0000 -42.26725 -41.51821 0.74904 1.67046 -41.62680 339.01767
7895.0000 -42.35572 -41.60057 0.75514 1.67330 -41.60732 332.77748
7900.0000 -42.40464 -41.75731 0.64733 1.68374 -41.53561 339.60858
7905.0000 -42.43655 -41.49433 0.94222 1.67080 -41.62446 327.36514
7910.0000 -42.42297 -41.59133 0.83164 1.68380 -41.53518 328.75248
7915.0000 -42.43564 -41.45852 0.97712 1.69963 -41.42644 370.50357
7920.0000 -42.38455 -41.65819 0.72636 1.69780 -41.43902 371.09774
7925.0000 -42.30323 -41.53860 0.76463 1.68553 -41.52327 351.20387
7930.0000 -42.33583 -41.72283 0.61300 1.65662 -41.72188 308.49000
7935.0000 -42.31931 -41.45091 0.86841 1.69324 -41.47031 367.95113
7940.0000 -42.24536 -41.54757 0.69780 1.68687 -41.51412 338.69310
7945.0000 -42.60035 -41.87441 0.72595 1.66080 -41.69316 321.02574
7950.0000 -42.54900 -41.80589 0.74311 1.66002 -41.69850 314.80169
7955.0000 -42.43909 -41.79274 0.64635 1.66404 -41.67090 320.80233
7960.0000 -42.21484 -41.32020 0.89464 1.71200 -41.34151 382.43779
7965.0000 -42.54843 -41.95675 0.59168 1.65465 -41.73537 308.96565
7970.0000 -42.57825 -41.91535 0.66289 1.63150 -41.89437 276.15238
7975.0000 -42.22943 -41.63180 0.59763 1.64827 -41.77921 310.46944
7980.0000 -42.52762 -41.97660 0.55101 1.62808 -41.91789 264.90950
7985.0000 -42.29873 -41.55881 0.73992 1.64495 -41.80204 282.95927
7990.0000 -42.14311 -41.49798 0.64513 1.66120 -41.69039 297.54381
7995.0000 -42.21628 -41.38592 0.83037 1.72812 -41.23079 393.64328
8000.0000 -42.35371 -41.38147 0.97223 1.67328 -41.60744 340.74820
FREEZING PROCESS: loop number 33 T-loop= 324.00000000000000
main_MD> interactions number 33 at Temperature= 324.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.92265 -0.71545 -0.18576
force_rgl> df(natom) -0.96887 -1.70726 0.70513
8005.0000 -42.33606 -41.46810 0.86796 1.67858 -41.57104 340.69544
8010.0000 -42.35762 -41.49729 0.86033 1.68581 -41.52139 357.84085
8015.0000 -42.34169 -41.56655 0.77514 1.68123 -41.55283 360.81551
8020.0000 -42.57298 -41.76157 0.81142 1.64895 -41.77456 313.45073
8025.0000 -42.32106 -41.66541 0.65565 1.66076 -41.69343 318.78158
8030.0000 -42.42034 -41.56760 0.85273 1.67501 -41.59556 318.04461
8035.0000 -42.47276 -41.80021 0.67255 1.64832 -41.77885 307.81736
8040.0000 -42.41396 -41.44715 0.96681 1.68395 -41.53417 347.74753
8045.0000 -42.36496 -41.78999 0.57497 1.67522 -41.59409 329.74571
8050.0000 -41.77319 -41.20511 0.56808 1.70595 -41.38304 363.53898
8055.0000 -42.26792 -41.57434 0.69358 1.70049 -41.42053 347.92504
8060.0000 -42.50255 -41.45057 1.05198 1.70880 -41.36347 386.77991
8065.0000 -42.53500 -41.73451 0.80049 1.66817 -41.64253 332.17852
8070.0000 -42.41041 -41.54092 0.86949 1.69794 -41.43804 372.77222
8075.0000 -42.55262 -41.63777 0.91485 1.66242 -41.68199 332.26699
8080.0000 -42.35054 -41.48756 0.86298 1.67591 -41.58939 343.74613
8085.0000 -42.34008 -41.50947 0.83062 1.67327 -41.60751 337.35319
8090.0000 -42.62434 -41.88553 0.73881 1.67757 -41.57794 342.51575
8095.0000 -42.28155 -41.70158 0.57997 1.64961 -41.77002 305.80267
8100.0000 -42.23420 -41.32379 0.91041 1.68963 -41.49515 349.11382
8105.0000 -42.23963 -41.50321 0.73642 1.69809 -41.43704 363.53894
8110.0000 -42.20695 -41.70900 0.49795 1.68952 -41.49590 337.48358
8115.0000 -42.24486 -41.65402 0.59083 1.64519 -41.80039 294.20430
8120.0000 -42.49802 -41.81806 0.67996 1.63658 -41.85952 277.04578
8125.0000 -42.47834 -41.71431 0.76403 1.66074 -41.69353 320.79682
8130.0000 -42.57089 -41.78499 0.78590 1.64526 -41.79990 295.11395
8135.0000 -42.46532 -41.67918 0.78614 1.64449 -41.80519 301.23075
8140.0000 -42.49149 -41.86358 0.62791 1.63925 -41.84115 279.28324
8145.0000 -42.50652 -41.67695 0.82957 1.64788 -41.78188 297.49259
8150.0000 -42.43204 -41.39578 1.03627 1.70484 -41.39065 383.47946
8155.0000 -42.16152 -41.35866 0.80286 1.69732 -41.44232 358.11656
8160.0000 -42.28643 -41.49760 0.78883 1.69706 -41.44408 364.71968
8165.0000 -42.26065 -41.58573 0.67492 1.67043 -41.62704 315.62170
8170.0000 -42.31548 -41.55089 0.76459 1.69766 -41.43999 363.04261
8175.0000 -42.48650 -41.58972 0.89679 1.69027 -41.49072 359.52951
8180.0000 -42.45549 -41.67408 0.78141 1.67176 -41.61788 333.48010
8185.0000 -42.30805 -41.52056 0.78750 1.67022 -41.62847 318.59742
8190.0000 -42.24273 -41.35248 0.89025 1.69085 -41.48675 356.46369
8195.0000 -42.35825 -41.69682 0.66143 1.70593 -41.38317 360.92543
8200.0000 -42.47616 -41.80786 0.66830 1.64258 -41.81827 285.72047
8205.0000 -42.35040 -41.69127 0.65913 1.66251 -41.68140 318.41616
8210.0000 -42.56434 -41.88924 0.67510 1.64417 -41.80738 290.64080
8215.0000 -42.45662 -41.83471 0.62191 1.63399 -41.87729 277.49656
8220.0000 -42.06199 -41.33205 0.72994 1.69969 -41.42603 379.64614
8225.0000 -42.27985 -41.39203 0.88782 1.69479 -41.45971 364.06740
8230.0000 -42.48831 -41.68919 0.79913 1.67286 -41.61035 331.37841
8235.0000 -42.23037 -41.35876 0.87161 1.66205 -41.68459 296.82442
8240.0000 -42.07927 -41.39711 0.68216 1.68026 -41.55952 339.59947
8245.0000 -42.59037 -41.99206 0.59831 1.64539 -41.79902 291.21456
8250.0000 -42.65788 -41.99498 0.66291 1.63173 -41.89279 287.08303
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 12.1755525 [s].
main_MD> Deallocating global variables
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