tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_89/freeze.log

1759 lines
173 KiB
Plaintext
Raw Blame History

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_89.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 = 89 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 89 8900
main_MD> Size of nv and nvoiz: 89 8900
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 = 89
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.10367142874631520 -4.2363555829063822E-002 -0.12025473529737545 initial drift of cluster / NP1 for coalescence
init> 0.32913915229620982 0.35018510218859544 0.33374841171793518 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5430440606759022E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20326 0.05750 1.96828
force_rgl> df(natom) 2.12870 -5.38386 1.38585
preparo> THERMALIZATION PROCESS AT 1088.1230586158360
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -195.20621210096888 15.164789060309293 -210.37100116127817 7.1059323751626396E-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 31
FREEZING PROCESS: loop number 1 T-loop= 1064.0000000000000
main_MD> interactions number 1 at Temperature= 1064.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.43152 2.03784 0.43413
force_rgl> df(natom) 0.44615 2.18339 0.85828
5.0000 -211.50015 -199.14366 12.35648 3.21115 -198.53911 1146.01396
10.0000 -212.81732 -201.91940 10.89792 3.11446 -200.46657 1101.65125
15.0000 -211.99904 -198.91038 13.08866 3.14583 -199.84110 1095.71227
20.0000 -213.23691 -198.87468 14.36224 3.17301 -199.29941 1133.34291
25.0000 -212.30163 -199.78569 12.51594 3.18307 -199.09884 1147.21872
30.0000 -213.39658 -200.85649 12.54009 3.08907 -200.97262 1088.96868
35.0000 -215.36690 -202.73818 12.62872 3.03177 -202.11489 1043.88481
40.0000 -211.99693 -199.62543 12.37150 3.06017 -201.54863 1088.21289
45.0000 -213.48967 -199.15897 14.33070 3.16583 -199.44255 1135.90702
50.0000 -213.07570 -201.39452 11.68117 3.13671 -200.02304 1116.39691
55.0000 -213.71210 -202.00547 11.70663 3.02749 -202.20008 1023.12473
60.0000 -213.78915 -201.41530 12.37385 3.01192 -202.51061 1019.08355
65.0000 -211.56380 -198.78300 12.78081 3.16613 -199.43648 1138.82251
70.0000 -213.54891 -203.35042 10.19849 3.05521 -201.64757 1018.61107
75.0000 -212.03835 -199.30840 12.72995 3.13322 -200.09260 1086.64971
80.0000 -213.76963 -199.93887 13.83076 3.12681 -200.22032 1112.35076
85.0000 -214.11351 -203.31159 10.80192 3.03528 -202.04495 1067.11350
90.0000 -212.81626 -201.35255 11.46371 2.97785 -203.18972 1030.57819
95.0000 -213.56561 -200.62717 12.93845 3.07315 -201.28994 1076.71349
100.0000 -213.69327 -202.09955 11.59372 3.10599 -200.63545 1082.28615
105.0000 -214.90012 -202.92750 11.97262 3.03161 -202.11808 1047.44415
110.0000 -213.64488 -200.97731 12.66758 3.07048 -201.34315 1087.42098
115.0000 -213.00286 -200.83721 12.16565 3.10637 -200.62784 1097.37175
120.0000 -213.25311 -200.88595 12.36716 3.02764 -202.19715 1069.68269
125.0000 -214.98059 -201.43839 13.54220 3.08022 -201.14904 1083.74899
130.0000 -214.07348 -204.52083 9.55265 2.98792 -202.98905 1054.50267
135.0000 -214.72423 -201.97551 12.74872 3.04296 -201.89188 1053.20014
140.0000 -212.89680 -202.93170 9.96511 2.99511 -202.84557 1019.59382
145.0000 -214.38704 -203.52645 10.86059 2.98337 -203.07963 1015.49029
150.0000 -214.17690 -202.81511 11.36178 2.92758 -204.19179 966.14316
155.0000 -213.82009 -202.29848 11.52162 3.03068 -202.13651 1083.57343
160.0000 -213.48824 -201.56167 11.92657 3.05479 -201.65597 1046.25770
165.0000 -214.61993 -204.31200 10.30793 3.01332 -202.48261 1031.34416
170.0000 -214.87493 -204.20321 10.67172 2.89828 -204.77585 968.89323
175.0000 -214.54507 -202.03261 12.51245 2.97165 -203.31331 1016.27695
180.0000 -212.67547 -200.53502 12.14045 3.02720 -202.20605 1034.47304
185.0000 -209.33877 -197.33690 12.00187 3.15602 -199.63796 1112.51721
190.0000 -209.64670 -197.34740 12.29930 3.19821 -198.79712 1140.90120
195.0000 -212.97920 -199.70316 13.27604 3.21195 -198.52323 1126.61591
200.0000 -211.63835 -198.36242 13.27593 3.16353 -199.48832 1094.73934
205.0000 -209.11579 -195.32557 13.79022 3.32320 -196.30553 1219.75071
210.0000 -212.58671 -198.83820 13.74851 3.22662 -198.23067 1162.22240
215.0000 -212.96475 -198.47243 14.49232 3.14720 -199.81391 1108.20767
220.0000 -214.05549 -200.77406 13.28143 3.18515 -199.05737 1123.55546
225.0000 -213.64811 -201.40533 12.24278 3.14075 -199.94236 1097.02389
230.0000 -212.74509 -198.38526 14.35983 3.17538 -199.25215 1124.17446
235.0000 -211.12989 -199.17148 11.95842 3.19985 -198.76437 1152.23813
240.0000 -212.89503 -199.31044 13.58459 3.19481 -198.86478 1127.52467
245.0000 -211.77909 -199.01860 12.76049 3.19566 -198.84796 1161.94446
250.0000 -215.63185 -201.14197 14.48988 3.14005 -199.95636 1135.13093
FREEZING PROCESS: loop number 2 T-loop= 1039.0000000000000
main_MD> interactions number 2 at Temperature= 1039.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56048 0.55083 -1.26999
force_rgl> df(natom) 0.98891 0.20669 1.87890
255.0000 -212.38679 -202.16728 10.21951 3.06386 -201.47527 1061.50908
260.0000 -215.00893 -204.46826 10.54067 3.00022 -202.74374 1024.53399
265.0000 -214.49573 -203.00570 11.49002 3.01269 -202.49510 1038.95535
270.0000 -214.44832 -201.52980 12.91852 2.96874 -203.37129 1015.84944
275.0000 -214.55673 -201.41657 13.14016 3.07310 -201.29094 1073.91590
280.0000 -214.67034 -203.00087 11.66946 3.04464 -201.85835 1031.93348
285.0000 -213.49409 -199.82278 13.67130 3.02537 -202.24250 1064.92645
290.0000 -212.03148 -202.80285 9.22862 3.02155 -202.31850 1053.11675
295.0000 -213.06965 -201.46682 11.60283 3.02600 -202.22977 1021.52893
300.0000 -214.22110 -201.08456 13.13654 3.04867 -201.77800 1059.78946
305.0000 -212.60860 -198.93277 13.67583 3.12064 -200.34332 1097.61888
310.0000 -210.65622 -197.63630 13.01991 3.27938 -197.17898 1200.09367
315.0000 -214.88869 -202.41707 12.47162 3.18174 -199.12545 1129.70092
320.0000 -214.91112 -202.33970 12.57142 2.97608 -203.22492 1011.94698
325.0000 -215.29865 -202.27309 13.02557 3.05192 -201.71311 1055.56397
330.0000 -213.54286 -201.55034 11.99252 3.09962 -200.76231 1094.75998
335.0000 -214.33253 -202.10766 12.22487 3.00483 -202.65189 1033.89370
340.0000 -214.44108 -203.69979 10.74129 2.95290 -203.68712 1001.72352
345.0000 -214.31823 -203.01115 11.30708 2.94980 -203.74884 1003.70976
350.0000 -213.27532 -199.69352 13.58180 3.05118 -201.72794 1051.30723
355.0000 -215.13139 -202.17094 12.96045 3.04866 -201.77814 1064.55892
360.0000 -215.59438 -204.13860 11.45578 3.00257 -202.69682 1029.74471
365.0000 -215.19707 -204.94765 10.24942 2.96037 -203.53809 1003.55976
370.0000 -215.13781 -204.28906 10.84874 2.91607 -204.42121 968.41344
375.0000 -216.36071 -203.40950 12.95121 2.94262 -203.89201 969.26767
380.0000 -214.15260 -201.46244 12.69016 2.95654 -203.61442 1013.50852
385.0000 -213.94574 -200.66793 13.27781 3.09022 -200.94967 1073.82914
390.0000 -214.78557 -201.66739 13.11818 3.06068 -201.53852 1091.44684
395.0000 -212.96046 -200.52970 12.43076 3.06366 -201.47923 1077.94236
400.0000 -215.22097 -202.29872 12.92225 3.02009 -202.34770 1018.63451
405.0000 -215.95358 -204.60147 11.35211 2.95507 -203.64372 1007.53372
410.0000 -214.99977 -202.76032 12.23945 2.94084 -203.92755 996.06101
415.0000 -214.25713 -204.55029 9.70684 2.93342 -204.07529 970.72121
420.0000 -214.00558 -202.78076 11.22482 2.94465 -203.85142 969.68606
425.0000 -215.20696 -203.56628 11.64069 3.04113 -201.92835 1045.85151
430.0000 -214.71313 -201.98352 12.72960 3.01877 -202.37402 1036.98218
435.0000 -213.16157 -200.55033 12.61124 3.05940 -201.56399 1061.55703
440.0000 -213.41249 -201.25564 12.15686 3.05837 -201.58452 1048.87366
445.0000 -211.96707 -201.13174 10.83533 3.02058 -202.33800 1027.82317
450.0000 -213.58536 -200.45139 13.13398 3.11303 -200.49499 1099.56754
455.0000 -212.80814 -201.02100 11.78714 3.12446 -200.26708 1110.68038
460.0000 -214.00141 -202.80368 11.19773 3.01812 -202.38691 1038.38337
465.0000 -213.83546 -199.78237 14.05309 3.07147 -201.32349 1064.95109
470.0000 -214.92693 -202.35884 12.56809 3.06400 -201.47232 1079.13129
475.0000 -213.89420 -202.50638 11.38782 2.96698 -203.40640 964.59561
480.0000 -214.74838 -202.58807 12.16031 3.01668 -202.41564 1025.53904
485.0000 -214.07695 -200.93537 13.14158 3.04330 -201.88501 1043.54308
490.0000 -214.76372 -202.04800 12.71572 3.04570 -201.83725 1067.62628
495.0000 -212.89316 -201.14324 11.74992 2.97738 -203.19902 1053.64161
500.0000 -215.64031 -202.47012 13.17019 3.05330 -201.68573 1066.13873
FREEZING PROCESS: loop number 3 T-loop= 1014.0000000000000
main_MD> interactions number 3 at Temperature= 1014.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07712 -0.90458 0.51448
force_rgl> df(natom) 0.31377 2.89776 -2.18673
505.0000 -214.10856 -201.50592 12.60264 2.99714 -202.80510 1031.66078
510.0000 -213.05750 -199.84390 13.21360 3.18450 -199.07036 1149.33255
515.0000 -213.26670 -202.13239 11.13431 3.05183 -201.71491 1055.38353
520.0000 -214.36870 -202.09873 12.26997 3.01725 -202.40433 1028.31561
525.0000 -215.65642 -204.27325 11.38317 2.98910 -202.96544 988.51643
530.0000 -217.26746 -205.11529 12.15216 2.92118 -204.31938 950.49597
535.0000 -213.96304 -201.64990 12.31313 2.92951 -204.15331 972.47176
540.0000 -215.27013 -205.03147 10.23866 3.00254 -202.69742 1005.04086
545.0000 -213.17674 -202.36608 10.81066 2.92503 -204.24262 996.23329
550.0000 -212.99199 -202.84287 10.14912 3.02419 -202.26596 1018.12723
555.0000 -213.59185 -203.32320 10.26865 2.97354 -203.27562 1013.13189
560.0000 -214.24042 -203.09848 11.14195 3.03660 -202.01867 1020.70307
565.0000 -216.45231 -204.45124 12.00107 2.98712 -203.00498 1009.43916
570.0000 -215.14921 -202.72085 12.42837 2.96937 -203.35872 999.95324
575.0000 -212.86280 -202.82332 10.03948 3.00510 -202.64645 1013.35713
580.0000 -214.92664 -202.31865 12.60799 2.99765 -202.79502 1027.85682
585.0000 -214.34954 -204.24924 10.10030 3.01422 -202.46470 1023.41387
590.0000 -215.48227 -203.37430 12.10798 2.92122 -204.31852 991.02710
595.0000 -214.05197 -202.40594 11.64603 2.97455 -203.25541 1009.46867
600.0000 -215.87628 -204.72486 11.15142 2.93944 -203.95536 993.05016
605.0000 -216.43804 -204.86791 11.57012 2.91546 -204.43341 982.98223
610.0000 -214.79302 -202.94020 11.85281 2.96771 -203.39184 1010.31791
615.0000 -215.88542 -203.30132 12.58410 2.94891 -203.76663 1010.81300
620.0000 -214.78395 -202.26763 12.51631 3.02128 -202.32405 1031.80583
625.0000 -213.28700 -201.71388 11.57312 3.00233 -202.70166 1051.78414
630.0000 -214.39756 -204.33016 10.06740 3.00419 -202.66460 1037.59386
635.0000 -214.04895 -203.03370 11.01525 2.95230 -203.69909 1028.10628
640.0000 -214.30800 -201.16128 13.14672 3.00659 -202.61683 1034.44088
645.0000 -213.62188 -203.76161 9.86027 2.94933 -203.75822 986.53760
650.0000 -216.44606 -205.45271 10.99334 2.94168 -203.91071 978.60975
655.0000 -215.90679 -205.47705 10.42974 2.83053 -206.12630 935.20078
660.0000 -214.39666 -204.15958 10.23707 2.90663 -204.60935 954.24940
665.0000 -216.55173 -206.34654 10.20519 2.88108 -205.11877 951.71585
670.0000 -214.26209 -203.21488 11.04721 2.92874 -204.16871 973.50700
675.0000 -214.51862 -204.93919 9.57943 2.95803 -203.58482 983.54430
680.0000 -214.29081 -202.98672 11.30409 2.95196 -203.70577 984.98525
685.0000 -215.59094 -204.37729 11.21365 2.94067 -203.93086 1002.66929
690.0000 -215.66524 -204.52173 11.14351 2.91422 -204.45806 980.18234
695.0000 -217.29712 -206.11002 11.18710 2.85290 -205.68048 940.70994
700.0000 -213.57503 -203.52924 10.04579 2.91363 -204.46980 957.15949
705.0000 -215.60140 -203.30106 12.30035 3.00873 -202.57405 999.95008
710.0000 -214.39933 -202.66477 11.73456 2.98944 -202.95873 1021.43119
715.0000 -212.65355 -202.19303 10.46052 2.96427 -203.46031 1011.74532
720.0000 -215.06696 -203.41640 11.65056 2.93130 -204.11753 973.89844
725.0000 -215.16877 -203.96434 11.20443 3.01469 -202.45534 1024.98689
730.0000 -215.49942 -202.98380 12.51563 2.98608 -203.02573 1010.31995
735.0000 -214.59170 -202.77866 11.81304 2.96669 -203.41224 1000.09798
740.0000 -214.82792 -203.22365 11.60427 2.98870 -202.97343 1037.14385
745.0000 -214.89988 -203.37408 11.52580 2.99885 -202.77102 1018.93975
750.0000 -215.10404 -204.47441 10.62963 2.95720 -203.60140 991.35514
FREEZING PROCESS: loop number 4 T-loop= 989.00000000000000
main_MD> interactions number 4 at Temperature= 989.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73398 3.43378 -1.66254
force_rgl> df(natom) 2.57564 -4.18451 -3.54185
755.0000 -215.42918 -204.75133 10.67785 2.89662 -204.80897 945.29912
760.0000 -216.69244 -205.40997 11.28247 2.88744 -204.99183 934.13712
765.0000 -215.28778 -205.54585 9.74193 2.85910 -205.55677 938.42240
770.0000 -216.16824 -203.76350 12.40474 2.85648 -205.60902 935.95799
775.0000 -218.10810 -206.72040 11.38770 2.86389 -205.46143 943.39411
780.0000 -216.37677 -206.70422 9.67255 2.76163 -207.49980 897.56658
785.0000 -216.36483 -205.75365 10.61118 2.81094 -206.51694 915.57095
790.0000 -216.37941 -206.40955 9.96986 2.78710 -206.99209 917.60760
795.0000 -215.96222 -205.18093 10.78130 2.85476 -205.64343 898.34694
800.0000 -215.07596 -204.12460 10.95136 2.91223 -204.49766 964.71223
805.0000 -214.86443 -205.12026 9.74417 2.86702 -205.39892 969.68157
810.0000 -217.51002 -207.56020 9.94982 2.81586 -206.41879 906.43138
815.0000 -217.11821 -206.68440 10.43381 2.77509 -207.23143 883.14287
820.0000 -214.88059 -204.09885 10.78173 2.90752 -204.59172 957.91652
825.0000 -215.52316 -204.57696 10.94619 2.90920 -204.55814 973.78086
830.0000 -215.20557 -202.88131 12.32426 2.97440 -203.25853 1023.10070
835.0000 -214.30359 -201.85354 12.45004 2.99950 -202.75805 1046.51445
840.0000 -213.69103 -201.54094 12.15009 3.05555 -201.64086 1077.00765
845.0000 -215.82091 -203.71149 12.10942 2.94530 -203.83862 983.32184
850.0000 -216.33382 -205.57482 10.75900 2.87932 -205.15375 952.15389
855.0000 -216.78304 -204.92024 11.86280 2.91256 -204.49122 980.86938
860.0000 -213.42208 -201.68544 11.73665 2.95052 -203.73439 972.84629
865.0000 -213.62767 -201.85670 11.77098 3.07867 -201.17995 1071.90538
870.0000 -216.62072 -205.52544 11.09528 2.96531 -203.43964 1026.09594
875.0000 -214.22694 -202.76755 11.45939 2.95631 -203.61912 1000.77032
880.0000 -212.20332 -201.16747 11.03584 3.09187 -200.91678 1106.83634
885.0000 -217.81927 -206.72323 11.09603 2.91191 -204.50421 990.56097
890.0000 -213.51316 -203.59898 9.91417 2.86004 -205.53812 929.53023
895.0000 -213.57821 -204.02913 9.54909 2.94089 -203.92648 994.86147
900.0000 -216.44032 -206.37097 10.06935 2.89688 -204.80365 977.72801
905.0000 -217.48113 -207.83469 9.64643 2.76787 -207.37535 871.82048
910.0000 -216.85930 -206.35713 10.50218 2.77817 -207.17015 891.41138
915.0000 -216.82534 -204.38420 12.44115 2.85551 -205.62833 955.14746
920.0000 -215.24184 -203.80289 11.43895 2.95193 -203.70647 1002.33075
925.0000 -215.38704 -203.67947 11.70756 2.96157 -203.51416 1040.63375
930.0000 -214.16035 -203.68760 10.47275 2.92764 -204.19052 981.36742
935.0000 -214.63971 -203.73443 10.90528 2.94828 -203.77904 1006.47219
940.0000 -214.20217 -202.92123 11.28093 2.95472 -203.65086 1013.02509
945.0000 -216.41471 -204.92754 11.48717 2.98513 -203.04461 1019.21925
950.0000 -217.30460 -205.57992 11.72468 2.86861 -205.36725 952.15140
955.0000 -213.11218 -200.45242 12.65976 3.06855 -201.38173 1079.94513
960.0000 -215.44558 -202.96159 12.48399 3.01357 -202.47769 1038.30331
965.0000 -215.29832 -204.60689 10.69143 2.91187 -204.50487 993.36060
970.0000 -214.81740 -202.52962 12.28778 2.96174 -203.51083 996.90116
975.0000 -215.35791 -203.80688 11.55103 2.99075 -202.93248 1004.15319
980.0000 -216.07038 -204.25225 11.81813 2.99104 -202.92672 1033.71288
985.0000 -216.72331 -205.40438 11.31893 2.96763 -203.39338 1025.63459
990.0000 -213.75031 -203.65969 10.09062 2.90520 -204.63783 952.44210
995.0000 -214.75045 -202.66507 12.08539 2.98815 -202.98439 1012.99450
1000.0000 -215.45859 -204.96255 10.49604 2.92000 -204.34283 975.53804
FREEZING PROCESS: loop number 5 T-loop= 964.00000000000000
main_MD> interactions number 5 at Temperature= 964.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23570 3.40663 -1.96427
force_rgl> df(natom) 1.87633 -0.09091 0.93457
1005.0000 -215.23275 -202.79017 12.44257 2.91988 -204.34518 989.76593
1010.0000 -215.91067 -202.45476 13.45591 2.96693 -203.40742 1035.32646
1015.0000 -216.30604 -206.40311 9.90292 2.91723 -204.39809 963.60184
1020.0000 -216.89157 -204.88998 12.00159 2.82933 -206.15037 919.25552
1025.0000 -217.46300 -205.98951 11.47349 2.85265 -205.68534 936.26206
1030.0000 -216.44666 -204.97070 11.47596 2.82716 -206.19363 913.16453
1035.0000 -217.15776 -206.08161 11.07615 2.82777 -206.18134 911.18038
1040.0000 -215.99955 -204.92809 11.07146 2.87783 -205.18345 941.62253
1045.0000 -213.44405 -203.36462 10.07943 2.92343 -204.27447 986.89725
1050.0000 -215.60842 -206.07774 9.53068 2.85001 -205.73799 928.41890
1055.0000 -216.72138 -203.65745 13.06393 2.90742 -204.59359 978.46113
1060.0000 -215.21712 -203.11262 12.10450 3.00155 -202.71718 1037.88178
1065.0000 -213.73890 -202.88440 10.85450 2.90292 -204.68326 955.33991
1070.0000 -215.28289 -204.45252 10.83037 3.01063 -202.53632 1023.43710
1075.0000 -217.42988 -206.80287 10.62701 2.87540 -205.23183 960.50470
1080.0000 -214.43856 -204.40078 10.03778 2.85887 -205.56147 939.60456
1085.0000 -214.43626 -202.92345 11.51281 2.97290 -203.28837 1017.98194
1090.0000 -213.54743 -202.07092 11.47651 2.99544 -202.83896 1010.49418
1095.0000 -214.24853 -202.81998 11.42855 2.99155 -202.91666 1006.88452
1100.0000 -213.87675 -204.15735 9.71940 2.99387 -202.87034 1009.77016
1105.0000 -215.84613 -203.66289 12.18324 2.95848 -203.57578 984.26379
1110.0000 -215.51559 -204.93988 10.57571 2.89479 -204.84534 954.08008
1115.0000 -217.00052 -205.48668 11.51384 2.90939 -204.55438 985.66004
1120.0000 -214.92071 -205.58763 9.33308 2.88198 -205.10068 962.20525
1125.0000 -215.03894 -205.95400 9.08494 2.87987 -205.14278 951.94744
1130.0000 -216.08023 -205.75030 10.32993 2.82226 -206.29115 911.02329
1135.0000 -216.78362 -207.27298 9.51064 2.75460 -207.63997 869.21094
1140.0000 -220.12273 -209.04214 11.08059 2.72134 -208.30288 862.81823
1145.0000 -216.62803 -206.67699 9.95104 2.77799 -207.17365 896.32879
1150.0000 -215.76002 -204.56022 11.19980 2.82626 -206.21138 928.60322
1155.0000 -216.12713 -205.10748 11.01965 2.90285 -204.68467 980.58459
1160.0000 -216.33785 -204.44015 11.89770 2.87223 -205.29519 956.36335
1165.0000 -214.57739 -203.66037 10.91702 2.93155 -204.11271 985.32727
1170.0000 -215.12571 -205.38358 9.74213 2.89540 -204.83328 954.89104
1175.0000 -216.81685 -206.10498 10.71188 2.86723 -205.39472 922.52687
1180.0000 -215.39046 -204.82650 10.56396 2.82492 -206.23810 902.52102
1185.0000 -214.55653 -203.24431 11.31222 2.98431 -203.06090 1002.04452
1190.0000 -215.51298 -204.76226 10.75072 2.93391 -204.06567 981.77600
1195.0000 -216.19124 -204.07730 12.11394 2.93178 -204.10796 975.66482
1200.0000 -213.51233 -202.00978 11.50255 3.00991 -202.55065 1034.40267
1205.0000 -216.03053 -203.63958 12.39095 2.97670 -203.21266 1012.78470
1210.0000 -215.95593 -203.81049 12.14545 2.89875 -204.76650 971.68652
1215.0000 -215.93900 -204.79985 11.13915 2.93782 -203.98759 998.65066
1220.0000 -214.87445 -205.21980 9.65465 2.87014 -205.33675 890.47178
1225.0000 -215.87430 -205.97180 9.90250 2.83554 -206.02648 898.22480
1230.0000 -214.80387 -204.81386 9.99001 2.90342 -204.67333 972.02603
1235.0000 -214.99170 -203.37235 11.61935 2.93940 -203.95620 993.43105
1240.0000 -215.65924 -205.28854 10.37070 2.89570 -204.82727 973.22840
1245.0000 -215.65293 -205.37117 10.28176 2.88955 -204.94984 964.50412
1250.0000 -215.40629 -205.94689 9.45939 2.88255 -205.08945 964.13968
FREEZING PROCESS: loop number 6 T-loop= 939.00000000000000
main_MD> interactions number 6 at Temperature= 939.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31461 2.17125 4.75735
force_rgl> df(natom) -2.77368 2.64491 -0.45957
1255.0000 -216.18949 -206.46891 9.72057 2.89362 -204.86874 954.98987
1260.0000 -216.42168 -205.45318 10.96850 2.83231 -206.09098 915.31640
1265.0000 -217.17238 -207.53289 9.63949 2.78526 -207.02869 879.00281
1270.0000 -218.41347 -207.58817 10.82530 2.80651 -206.60523 904.39643
1275.0000 -217.28539 -206.15100 11.13439 2.77036 -207.32574 879.44850
1280.0000 -216.57306 -207.75703 8.81603 2.77991 -207.13546 914.40536
1285.0000 -218.56747 -207.99427 10.57320 2.68956 -208.93654 848.01142
1290.0000 -215.80461 -205.72747 10.07714 2.78669 -207.00027 898.71102
1295.0000 -216.73876 -203.88309 12.85567 2.84244 -205.88894 911.65758
1300.0000 -215.98437 -203.68849 12.29588 2.97717 -203.20325 1009.53408
1305.0000 -217.26645 -205.43913 11.82732 2.89326 -204.87581 960.04253
1310.0000 -217.01820 -205.03342 11.98478 2.84802 -205.77777 939.73021
1315.0000 -215.35270 -203.17707 12.17564 2.90022 -204.73712 998.46301
1320.0000 -216.69075 -205.41967 11.27108 2.92145 -204.31406 955.53623
1325.0000 -216.96269 -206.95972 10.00297 2.83029 -206.13123 929.64658
1330.0000 -216.16901 -204.89397 11.27505 2.87868 -205.16653 953.54028
1335.0000 -215.24064 -203.84579 11.39485 2.87102 -205.31930 930.89193
1340.0000 -215.96103 -204.22931 11.73172 2.93587 -204.02656 1004.79811
1345.0000 -215.52340 -205.05013 10.47327 2.87756 -205.18882 955.59276
1350.0000 -217.79200 -205.38959 12.40241 2.89030 -204.93484 952.34535
1355.0000 -215.46061 -204.95731 10.50329 2.88787 -204.98343 963.81722
1360.0000 -215.46375 -205.84127 9.62248 2.89585 -204.82435 953.50082
1365.0000 -217.24233 -206.22730 11.01504 2.86455 -205.44823 945.23696
1370.0000 -218.69117 -206.73713 11.95404 2.82199 -206.29650 915.06268
1375.0000 -216.31019 -207.17870 9.13149 2.74477 -207.83599 891.68096
1380.0000 -215.46223 -205.25591 10.20632 2.88059 -205.12841 954.65254
1385.0000 -216.85705 -206.33058 10.52647 2.81021 -206.53142 890.48144
1390.0000 -215.84202 -205.69455 10.14748 2.83522 -206.03280 911.51908
1395.0000 -216.97891 -207.42918 9.54973 2.81438 -206.44838 928.21354
1400.0000 -218.29837 -207.71674 10.58163 2.75215 -207.68874 889.18731
1405.0000 -217.36629 -205.50746 11.85882 2.79199 -206.89461 890.03975
1410.0000 -216.31426 -204.16233 12.15192 2.82968 -206.14333 910.63574
1415.0000 -216.36833 -203.72908 12.63926 2.92662 -204.21093 997.86417
1420.0000 -217.84965 -206.89627 10.95338 2.92356 -204.27190 978.44229
1425.0000 -217.53658 -208.15125 9.38533 2.84171 -205.90357 929.97298
1430.0000 -217.27171 -207.79182 9.47990 2.74002 -207.93052 851.45622
1435.0000 -214.37848 -204.49242 9.88606 2.81790 -206.37820 923.88971
1440.0000 -215.94091 -205.01579 10.92512 2.88027 -205.13476 952.98604
1445.0000 -213.00918 -201.96647 11.04271 2.92034 -204.33603 995.45192
1450.0000 -214.58289 -201.84032 12.74257 3.04563 -201.83862 1052.68941
1455.0000 -215.17310 -202.17514 12.99796 2.96103 -203.52491 991.63914
1460.0000 -216.24219 -205.67207 10.57012 2.93262 -204.09129 990.43928
1465.0000 -215.82542 -203.32948 12.49594 2.88019 -205.13642 959.19857
1470.0000 -215.89646 -203.60799 12.28847 2.98855 -202.97640 1010.51562
1475.0000 -216.69386 -204.29123 12.40263 2.97781 -203.19048 1031.65567
1480.0000 -214.70175 -204.50891 10.19284 2.88212 -205.09794 948.07221
1485.0000 -218.32133 -208.77762 9.54371 2.81409 -206.45411 918.03383
1490.0000 -217.14342 -207.13001 10.01341 2.76493 -207.43412 887.49667
1495.0000 -217.38452 -206.96970 10.41482 2.80066 -206.72183 910.03457
1500.0000 -214.67245 -204.68917 9.98328 2.84642 -205.80965 930.54651
FREEZING PROCESS: loop number 7 T-loop= 914.00000000000000
main_MD> interactions number 7 at Temperature= 914.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.14784 4.37488 0.46449
force_rgl> df(natom) -1.24397 0.25118 -2.80335
1505.0000 -215.15762 -205.32622 9.83140 2.88424 -205.05568 966.70885
1510.0000 -216.14887 -206.06278 10.08609 2.80529 -206.62944 917.49453
1515.0000 -217.11596 -206.70256 10.41340 2.82056 -206.32501 934.42627
1520.0000 -217.57365 -206.26455 11.30910 2.84693 -205.79945 950.42632
1525.0000 -216.32188 -206.52489 9.79699 2.82729 -206.19089 911.00215
1530.0000 -217.03272 -206.14813 10.88458 2.84679 -205.80214 953.91686
1535.0000 -217.06399 -207.29269 9.77130 2.82081 -206.32018 920.21482
1540.0000 -218.26638 -207.45264 10.81374 2.77275 -207.27805 895.04994
1545.0000 -216.65748 -207.47199 9.18548 2.74444 -207.84254 874.51382
1550.0000 -218.76130 -209.87054 8.89076 2.66023 -209.52102 805.46499
1555.0000 -218.31586 -206.24315 12.07271 2.79305 -206.87351 911.70736
1560.0000 -217.14611 -207.20338 9.94273 2.79347 -206.86502 894.33249
1565.0000 -215.84023 -204.54581 11.29443 2.88689 -205.00290 941.38938
1570.0000 -215.65585 -203.56189 12.09397 2.95538 -203.63754 967.30767
1575.0000 -215.97651 -204.14669 11.82982 2.95033 -203.73831 999.93712
1580.0000 -216.51542 -203.80545 12.70997 2.93648 -204.01427 975.54218
1585.0000 -215.18516 -203.98073 11.20444 2.90629 -204.61612 957.14395
1590.0000 -216.91174 -205.67257 11.23917 2.92362 -204.27070 955.96250
1595.0000 -216.17365 -205.55123 10.62242 2.86244 -205.49026 943.44388
1600.0000 -216.01810 -206.10197 9.91613 2.86759 -205.38755 946.17072
1605.0000 -217.01926 -207.24743 9.77184 2.85200 -205.69840 901.39693
1610.0000 -216.69894 -206.52008 10.17886 2.75543 -207.62341 864.40201
1615.0000 -217.41689 -205.85649 11.56040 2.80649 -206.60548 924.11992
1620.0000 -216.26208 -204.26824 11.99384 2.88992 -204.94241 956.84990
1625.0000 -217.28183 -204.26363 13.01819 2.95606 -203.62408 1016.05374
1630.0000 -216.88695 -207.46167 9.42528 2.83051 -206.12677 926.97667
1635.0000 -217.24259 -207.69906 9.54353 2.79270 -206.88045 901.24865
1640.0000 -217.09409 -207.20756 9.88652 2.76201 -207.49214 889.04426
1645.0000 -216.54822 -206.62194 9.92628 2.85119 -205.71453 947.66938
1650.0000 -216.68438 -206.69508 9.98930 2.80261 -206.68292 912.01443
1655.0000 -215.63590 -205.76699 9.86891 2.79940 -206.74688 895.58097
1660.0000 -216.82540 -206.87652 9.94889 2.79852 -206.76443 887.73306
1665.0000 -216.20563 -205.74996 10.45567 2.81652 -206.40568 912.12893
1670.0000 -215.23334 -204.80230 10.43104 2.89243 -204.89242 941.55108
1675.0000 -215.00570 -204.25944 10.74626 2.86616 -205.41617 942.31019
1680.0000 -214.20522 -203.55663 10.64859 2.98001 -203.14659 1008.64387
1685.0000 -216.36001 -203.30547 13.05454 2.92032 -204.33656 975.69021
1690.0000 -214.38822 -204.13266 10.25556 2.95754 -203.59450 982.85005
1695.0000 -216.50013 -205.84933 10.65080 2.87948 -205.15057 944.59948
1700.0000 -217.84023 -206.60651 11.23372 2.79979 -206.73922 902.05434
1705.0000 -214.81030 -204.95915 9.85115 2.90255 -204.69081 956.35098
1710.0000 -215.52018 -204.37449 11.14568 2.93994 -203.94536 955.34692
1715.0000 -216.50149 -204.43916 12.06233 2.84290 -205.87976 912.89750
1720.0000 -216.91251 -207.69182 9.22069 2.88912 -204.95843 951.42425
1725.0000 -220.79653 -211.89780 8.89874 2.63673 -209.98946 808.74247
1730.0000 -218.81586 -209.86033 8.95553 2.59570 -210.80745 790.25589
1735.0000 -220.02059 -209.58183 10.43876 2.64757 -209.77344 830.48468
1740.0000 -220.38686 -209.82660 10.56026 2.63803 -209.96371 815.29017
1745.0000 -218.37457 -207.73902 10.63555 2.65848 -209.55599 820.41067
1750.0000 -217.27229 -208.28408 8.98821 2.78076 -207.11838 876.67311
FREEZING PROCESS: loop number 8 T-loop= 889.00000000000000
main_MD> interactions number 8 at Temperature= 889.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.40412 0.07321 1.23617
force_rgl> df(natom) -4.40831 -2.07322 -0.26774
1755.0000 -217.20857 -206.45904 10.74953 2.73861 -207.95861 848.60330
1760.0000 -217.24799 -205.56471 11.68328 2.83001 -206.13665 937.84323
1765.0000 -218.90169 -208.24676 10.65493 2.82261 -206.28423 916.80411
1770.0000 -217.71794 -209.12949 8.58845 2.74411 -207.84907 848.43487
1775.0000 -219.19153 -208.69575 10.49579 2.71431 -208.44299 843.20099
1780.0000 -217.25338 -207.30456 9.94881 2.71022 -208.52453 870.12596
1785.0000 -217.58310 -208.62388 8.95922 2.75761 -207.58000 876.62134
1790.0000 -216.70901 -206.45470 10.25431 2.76497 -207.43313 879.04428
1795.0000 -217.80709 -207.82708 9.98001 2.75674 -207.59723 881.47842
1800.0000 -218.05661 -207.92270 10.13391 2.72853 -208.15966 860.64729
1805.0000 -217.38969 -207.30305 10.08664 2.77149 -207.30329 864.44443
1810.0000 -216.97403 -207.59027 9.38376 2.76611 -207.41042 865.69767
1815.0000 -216.74039 -205.74988 10.99051 2.80785 -206.57840 883.33146
1820.0000 -215.28316 -204.15401 11.12915 2.85754 -205.58803 901.84686
1825.0000 -217.08841 -207.92845 9.15996 2.84195 -205.89864 897.03534
1830.0000 -216.43558 -206.60837 9.82721 2.78224 -207.08901 886.26597
1835.0000 -217.35796 -206.64203 10.71593 2.78305 -207.07292 869.21910
1840.0000 -218.75019 -210.13591 8.61428 2.76602 -207.41231 883.47239
1845.0000 -220.38006 -209.90709 10.47297 2.65528 -209.61971 836.46041
1850.0000 -216.80825 -207.44909 9.35916 2.71099 -208.50926 846.68788
1855.0000 -214.94144 -206.69532 8.24612 2.79427 -206.84925 888.62579
1860.0000 -217.59232 -207.92148 9.67084 2.76030 -207.52629 882.49305
1865.0000 -217.58326 -207.49027 10.09299 2.75615 -207.60905 857.60263
1870.0000 -216.33812 -205.69837 10.63975 2.80374 -206.66036 901.83151
1875.0000 -218.97731 -207.46487 11.51244 2.86091 -205.52075 932.62913
1880.0000 -215.52474 -205.31772 10.20703 2.81697 -206.39658 922.03186
1885.0000 -216.14928 -207.33362 8.81566 2.87769 -205.18626 923.24136
1890.0000 -218.32640 -208.27984 10.04657 2.73792 -207.97241 863.71238
1895.0000 -217.25944 -205.87464 11.38479 2.73699 -207.99106 874.42728
1900.0000 -216.87452 -204.25253 12.62199 2.88193 -205.10177 961.70476
1905.0000 -218.05226 -207.25529 10.79698 2.82474 -206.24175 935.77223
1910.0000 -218.14362 -208.83241 9.31121 2.74350 -207.86114 881.43430
1915.0000 -218.83962 -209.30790 9.53172 2.69298 -208.86826 832.01044
1920.0000 -217.71992 -207.11483 10.60509 2.71434 -208.44249 841.15351
1925.0000 -217.08150 -205.83735 11.24415 2.82261 -206.28431 929.71648
1930.0000 -217.19316 -206.35025 10.84290 2.84259 -205.88590 933.43373
1935.0000 -218.92392 -208.61013 10.31379 2.74419 -207.84749 871.64766
1940.0000 -217.71680 -207.75005 9.96675 2.72785 -208.17311 874.54242
1945.0000 -218.36026 -207.52536 10.83489 2.73300 -208.07046 859.45369
1950.0000 -217.17409 -206.98031 10.19378 2.76817 -207.36937 860.24053
1955.0000 -217.25356 -207.97827 9.27529 2.79861 -206.76265 876.77462
1960.0000 -216.99087 -206.09567 10.89519 2.83141 -206.10878 908.98917
1965.0000 -216.93254 -206.33704 10.59551 2.87050 -205.32956 953.20347
1970.0000 -216.94563 -206.81048 10.13515 2.81577 -206.42061 918.76211
1975.0000 -217.80682 -207.61278 10.19405 2.74883 -207.75501 877.84550
1980.0000 -217.95602 -208.93664 9.01938 2.68909 -208.94582 828.82495
1985.0000 -217.42475 -208.60335 8.82140 2.69292 -208.86954 822.60926
1990.0000 -219.83015 -209.33149 10.49866 2.67212 -209.28415 817.87198
1995.0000 -218.88615 -207.20215 11.68401 2.79131 -206.90811 927.92191
2000.0000 -219.73083 -208.08549 11.64535 2.68641 -208.99915 830.77668
FREEZING PROCESS: loop number 9 T-loop= 864.00000000000000
main_MD> interactions number 9 at Temperature= 864.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.60263 0.56089 4.99548
force_rgl> df(natom) -0.19041 -0.15944 0.77607
2005.0000 -218.41577 -209.81395 8.60182 2.72142 -208.30144 833.18303
2010.0000 -217.73098 -208.05216 9.67882 2.70883 -208.55238 841.13266
2015.0000 -217.31153 -207.27322 10.03831 2.77604 -207.21250 889.23465
2020.0000 -216.09990 -206.34495 9.75495 2.77974 -207.13877 874.91259
2025.0000 -218.83379 -207.85881 10.97498 2.75526 -207.62670 881.97054
2030.0000 -218.44659 -208.28203 10.16456 2.67606 -209.20551 813.52103
2035.0000 -218.82952 -208.23809 10.59143 2.77121 -207.30877 900.17458
2040.0000 -220.66119 -211.18548 9.47572 2.63857 -209.95288 805.54952
2045.0000 -218.40052 -208.48922 9.91130 2.64723 -209.78031 817.20977
2050.0000 -217.22453 -205.69240 11.53213 2.78665 -207.00105 896.66507
2055.0000 -216.79929 -206.31936 10.47994 2.82842 -206.16838 905.59558
2060.0000 -218.06771 -207.14444 10.92326 2.81086 -206.51847 922.03003
2065.0000 -215.42478 -204.79872 10.62605 2.81538 -206.42835 895.73158
2070.0000 -216.96897 -207.39038 9.57858 2.85767 -205.58534 939.02926
2075.0000 -217.01884 -207.15322 9.86562 2.80227 -206.68979 920.63445
2080.0000 -218.78494 -207.57137 11.21357 2.78559 -207.02221 914.21201
2085.0000 -217.15760 -207.68354 9.47406 2.73386 -208.05347 883.03779
2090.0000 -219.12451 -209.75148 9.37303 2.72111 -208.30761 856.14780
2095.0000 -217.78028 -208.12748 9.65280 2.68419 -209.04347 834.64722
2100.0000 -217.01711 -207.84230 9.17480 2.71230 -208.48315 847.39220
2105.0000 -217.41075 -207.93372 9.47703 2.76698 -207.39315 880.87359
2110.0000 -217.57610 -207.23468 10.34142 2.75802 -207.57170 875.39055
2115.0000 -217.22486 -207.15151 10.07335 2.79015 -206.93124 913.76330
2120.0000 -215.43080 -205.83198 9.59882 2.81349 -206.46604 893.78796
2125.0000 -218.71671 -207.88213 10.83457 2.78790 -206.97612 900.78455
2130.0000 -216.85964 -206.72338 10.13626 2.83191 -206.09881 930.31105
2135.0000 -215.34492 -204.80949 10.53543 2.81682 -206.39971 900.64803
2140.0000 -216.92450 -204.60387 12.32063 2.89245 -204.89211 952.37831
2145.0000 -217.07308 -206.62847 10.44460 2.89108 -204.91926 942.22018
2150.0000 -217.38808 -206.80906 10.57902 2.85948 -205.54918 935.55387
2155.0000 -217.17103 -206.29318 10.87785 2.78330 -207.06775 873.09798
2160.0000 -217.23893 -207.56450 9.67443 2.78663 -207.00138 889.28110
2165.0000 -219.46130 -208.20070 11.26060 2.74228 -207.88549 872.50394
2170.0000 -217.76837 -206.16720 11.60117 2.73095 -208.11132 876.15004
2175.0000 -218.14682 -207.85572 10.29110 2.79323 -206.86980 904.82277
2180.0000 -217.47642 -208.24124 9.23519 2.73468 -208.03696 868.46224
2185.0000 -217.97997 -208.47831 9.50167 2.74685 -207.79451 846.90974
2190.0000 -216.86590 -206.67978 10.18612 2.81294 -206.47710 932.10349
2195.0000 -217.67852 -207.69142 9.98710 2.80436 -206.64800 885.18187
2200.0000 -217.14208 -205.38130 11.76078 2.82320 -206.27243 922.47243
2205.0000 -216.58500 -205.59824 10.98676 2.86462 -205.44686 921.41353
2210.0000 -217.75024 -208.09629 9.65396 2.78870 -206.96013 905.08671
2215.0000 -217.65618 -209.34085 8.31533 2.69675 -208.79303 808.37468
2220.0000 -217.65294 -207.94706 9.70587 2.76875 -207.35790 874.39029
2225.0000 -216.91428 -208.15062 8.76366 2.75968 -207.53868 878.56875
2230.0000 -217.73946 -208.07220 9.66726 2.75195 -207.69270 861.60599
2235.0000 -218.41130 -208.38308 10.02823 2.71323 -208.46462 862.73872
2240.0000 -218.05671 -209.13929 8.91742 2.64676 -209.78961 806.30904
2245.0000 -218.06943 -207.25268 10.81675 2.72367 -208.25644 851.77251
2250.0000 -218.93645 -207.96653 10.96993 2.75392 -207.65354 880.00926
FREEZING PROCESS: loop number 10 T-loop= 839.00000000000000
main_MD> interactions number 10 at Temperature= 839.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90651 -2.30294 3.56409
force_rgl> df(natom) -1.38958 0.74796 0.44823
2255.0000 -217.67332 -208.45498 9.21834 2.73223 -208.08582 839.47151
2260.0000 -218.01763 -209.72315 8.29447 2.64241 -209.87640 806.17668
2265.0000 -218.76907 -210.31593 8.45314 2.66836 -209.35906 803.49187
2270.0000 -219.20612 -210.54863 8.65749 2.62265 -210.27013 805.21845
2275.0000 -219.28261 -209.35166 9.93095 2.66335 -209.45882 814.41466
2280.0000 -219.13093 -209.59229 9.53865 2.66891 -209.34807 817.44589
2285.0000 -218.35038 -207.70971 10.64067 2.72112 -208.30730 876.42080
2290.0000 -217.71440 -208.52979 9.18461 2.70850 -208.55892 842.39023
2295.0000 -219.14839 -210.25815 8.89024 2.66939 -209.33860 815.24384
2300.0000 -220.27507 -211.34635 8.92873 2.53233 -212.07071 755.97627
2305.0000 -219.05136 -209.66146 9.38990 2.56384 -211.44249 739.91975
2310.0000 -217.34238 -208.21596 9.12642 2.70460 -208.63657 859.02454
2315.0000 -218.77654 -208.09262 10.68391 2.77010 -207.33102 888.65906
2320.0000 -217.06410 -207.07623 9.98787 2.70419 -208.64473 839.04675
2325.0000 -217.23565 -208.42535 8.81030 2.77536 -207.22618 908.39832
2330.0000 -218.44769 -208.56750 9.88020 2.71712 -208.38707 845.97576
2335.0000 -217.46074 -208.24553 9.21521 2.71567 -208.41597 844.04105
2340.0000 -219.16756 -210.14596 9.02160 2.69448 -208.83831 819.74124
2345.0000 -218.34025 -209.28687 9.05337 2.68817 -208.96414 803.43550
2350.0000 -217.35341 -209.13082 8.22259 2.72105 -208.30866 852.12662
2355.0000 -218.56257 -208.16768 10.39489 2.70302 -208.66810 856.01701
2360.0000 -216.63746 -205.09140 11.54606 2.73900 -207.95093 857.59365
2365.0000 -217.74866 -207.84739 9.90127 2.77765 -207.18052 896.38782
2370.0000 -218.30975 -208.59560 9.71414 2.72439 -208.24206 852.54109
2375.0000 -218.53914 -209.42381 9.11533 2.69779 -208.77234 856.76666
2380.0000 -219.58453 -210.05987 9.52466 2.64999 -209.72524 827.74425
2385.0000 -219.21905 -208.66237 10.55667 2.63151 -210.09358 796.99937
2390.0000 -217.53651 -208.32488 9.21163 2.69109 -208.90602 836.56501
2395.0000 -217.88770 -207.76243 10.12526 2.71992 -208.33129 853.25757
2400.0000 -218.34490 -208.14907 10.19583 2.70832 -208.56249 822.77620
2405.0000 -218.57317 -208.64728 9.92590 2.75025 -207.72671 899.44698
2410.0000 -219.42783 -211.57726 7.85057 2.62193 -210.28459 801.78882
2415.0000 -218.31276 -209.21253 9.10023 2.56157 -211.48783 757.85699
2420.0000 -219.40072 -209.35287 10.04785 2.67495 -209.22773 834.25143
2425.0000 -218.60530 -209.96616 8.63913 2.68475 -209.03241 837.51822
2430.0000 -220.57767 -212.43625 8.14141 2.52838 -212.14944 718.36159
2435.0000 -218.69630 -210.66249 8.03380 2.58428 -211.03511 745.69194
2440.0000 -217.55023 -209.75935 7.79088 2.65308 -209.66362 808.55265
2445.0000 -217.31303 -206.91871 10.39432 2.69449 -208.83811 834.09474
2450.0000 -219.20211 -210.07210 9.13002 2.68262 -209.07471 831.15680
2455.0000 -218.20296 -208.55140 9.65157 2.69416 -208.84480 818.18487
2460.0000 -217.56777 -208.67822 8.88955 2.69069 -208.91395 828.51376
2465.0000 -217.75989 -207.72598 10.03391 2.73274 -208.07560 856.43846
2470.0000 -219.04460 -207.63356 11.41104 2.74787 -207.77409 882.93409
2475.0000 -218.75154 -208.82362 9.92792 2.72846 -208.16106 880.34967
2480.0000 -219.58839 -210.29732 9.29107 2.66856 -209.35512 838.52487
2485.0000 -218.75657 -208.78586 9.97072 2.65838 -209.55790 791.22321
2490.0000 -219.45457 -210.58628 8.86829 2.66001 -209.52544 827.77846
2495.0000 -218.12260 -208.69206 9.43054 2.66942 -209.33796 841.25542
2500.0000 -218.44212 -208.71476 9.72736 2.71132 -208.50272 832.33691
FREEZING PROCESS: loop number 11 T-loop= 814.00000000000000
main_MD> interactions number 11 at Temperature= 814.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.22676 0.33552 -2.03360
force_rgl> df(natom) 1.63652 -2.08507 -2.80956
2505.0000 -220.05419 -209.08181 10.97238 2.68103 -209.10658 836.57756
2510.0000 -217.75127 -208.26381 9.48746 2.67419 -209.24286 808.72351
2515.0000 -217.77233 -207.96418 9.80815 2.70141 -208.70027 852.21426
2520.0000 -216.69227 -207.13125 9.56102 2.75220 -207.68784 861.92039
2525.0000 -219.07063 -209.72402 9.34661 2.75735 -207.58514 868.00223
2530.0000 -217.54382 -208.00535 9.53846 2.70334 -208.66173 825.66040
2535.0000 -218.10395 -208.90337 9.20057 2.73856 -207.95967 882.04979
2540.0000 -218.49403 -209.60837 8.88566 2.70054 -208.71762 833.52769
2545.0000 -218.31051 -209.77523 8.53528 2.63661 -209.99203 792.92250
2550.0000 -217.12255 -208.76572 8.35683 2.67678 -209.19114 826.12151
2555.0000 -217.48070 -207.79684 9.68387 2.69979 -208.73258 819.63722
2560.0000 -218.29397 -209.03347 9.26049 2.70290 -208.67044 855.31642
2565.0000 -219.03925 -209.14271 9.89654 2.66735 -209.37920 811.26634
2570.0000 -218.11925 -207.16415 10.95510 2.76630 -207.40667 868.87467
2575.0000 -220.65048 -208.88142 11.76906 2.73462 -208.03832 888.18377
2580.0000 -219.50990 -209.60657 9.90333 2.66962 -209.33391 830.12602
2585.0000 -218.47163 -209.50448 8.96715 2.63434 -210.03718 819.30057
2590.0000 -218.20558 -209.27896 8.92662 2.69032 -208.92133 829.49338
2595.0000 -218.70215 -209.62360 9.07855 2.66126 -209.50049 829.05714
2600.0000 -219.09870 -209.18908 9.90962 2.67611 -209.20460 815.91296
2605.0000 -216.88545 -207.19506 9.69039 2.67222 -209.28202 826.85751
2610.0000 -219.48374 -208.61019 10.87356 2.75531 -207.62580 883.20485
2615.0000 -220.46220 -210.79568 9.66653 2.60462 -210.62963 773.27959
2620.0000 -219.78957 -208.88433 10.90524 2.68556 -209.01611 833.08728
2625.0000 -221.31379 -210.95434 10.35945 2.68400 -209.04731 804.03815
2630.0000 -220.27124 -209.95316 10.31808 2.65453 -209.63466 811.00987
2635.0000 -216.96122 -207.52816 9.43306 2.68654 -208.99667 820.76714
2640.0000 -217.28403 -207.41317 9.87086 2.76814 -207.37004 855.89681
2645.0000 -219.93843 -210.05203 9.88640 2.70073 -208.71384 831.51771
2650.0000 -218.66768 -208.77546 9.89221 2.66647 -209.39663 846.88688
2655.0000 -218.66397 -210.04667 8.61730 2.61465 -210.42970 792.84300
2660.0000 -219.83811 -210.43497 9.40314 2.58252 -211.07013 776.64576
2665.0000 -219.70449 -209.71576 9.98873 2.62895 -210.14458 797.66767
2670.0000 -219.42798 -209.93611 9.49187 2.66363 -209.45331 822.38362
2675.0000 -217.59394 -209.27123 8.32271 2.65550 -209.61547 803.14471
2680.0000 -219.15026 -210.22359 8.92667 2.60424 -210.63731 746.04393
2685.0000 -217.35281 -208.52729 8.82551 2.66770 -209.37212 786.07441
2690.0000 -219.95084 -208.45798 11.49286 2.74013 -207.92849 865.21752
2695.0000 -219.10917 -208.33788 10.77130 2.69433 -208.84130 847.85187
2700.0000 -219.12264 -209.56959 9.55304 2.71171 -208.49485 828.76335
2705.0000 -218.52846 -209.80017 8.72830 2.69020 -208.92360 841.86198
2710.0000 -219.66204 -210.34214 9.31990 2.60845 -210.55332 782.03633
2715.0000 -219.29507 -209.66704 9.62803 2.60966 -210.52916 797.43056
2720.0000 -218.44534 -209.55697 8.88837 2.65860 -209.55363 812.37975
2725.0000 -219.47734 -211.12694 8.35039 2.61762 -210.37048 772.91693
2730.0000 -221.30899 -212.04247 9.26652 2.55612 -211.59651 748.29018
2735.0000 -218.69489 -210.30710 8.38779 2.61512 -210.42033 772.74376
2740.0000 -218.54006 -208.60754 9.93252 2.69151 -208.89761 828.07705
2745.0000 -218.08143 -209.24587 8.83556 2.65084 -209.70835 802.00586
2750.0000 -217.17574 -207.04532 10.13043 2.71793 -208.37102 857.54971
FREEZING PROCESS: loop number 12 T-loop= 789.00000000000000
main_MD> interactions number 12 at Temperature= 789.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01708 -1.56181 1.74841
force_rgl> df(natom) 1.40291 -0.83125 3.72237
2755.0000 -218.08592 -206.62593 11.46000 2.74603 -207.81088 872.52165
2760.0000 -218.69851 -208.79322 9.90529 2.70978 -208.53335 843.54294
2765.0000 -218.68085 -210.68628 7.99458 2.63814 -209.96151 800.36328
2770.0000 -220.23829 -211.89624 8.34205 2.60290 -210.66401 792.99771
2775.0000 -221.77629 -212.84982 8.92647 2.50573 -212.60099 723.75866
2780.0000 -220.04114 -210.75708 9.28406 2.58713 -210.97827 780.54035
2785.0000 -220.17969 -210.73134 9.44835 2.61076 -210.50731 780.32654
2790.0000 -220.08361 -211.59920 8.48441 2.59074 -210.90639 784.28568
2795.0000 -220.32329 -211.37954 8.94375 2.52004 -212.31564 742.95405
2800.0000 -220.40363 -212.62885 7.77477 2.55205 -211.67753 769.48512
2805.0000 -221.41314 -212.81115 8.60199 2.47247 -213.26399 701.98497
2810.0000 -218.02482 -209.36705 8.65777 2.58841 -210.95278 777.58842
2815.0000 -220.79193 -210.21539 10.57653 2.65928 -209.54000 797.95699
2820.0000 -218.55815 -209.28791 9.27025 2.64633 -209.79819 797.60422
2825.0000 -220.23820 -211.74128 8.49692 2.63549 -210.01432 792.78725
2830.0000 -220.65866 -210.44927 10.20938 2.58284 -211.06383 776.79861
2835.0000 -219.00239 -210.08307 8.91931 2.62772 -210.16923 820.59346
2840.0000 -219.43956 -210.30567 9.13389 2.61572 -210.40828 783.73789
2845.0000 -220.40307 -211.32615 9.07692 2.57910 -211.13831 771.57600
2850.0000 -219.85714 -211.06187 8.79527 2.59697 -210.78223 774.91343
2855.0000 -218.35098 -209.53095 8.82003 2.61644 -210.39395 778.93045
2860.0000 -219.54454 -211.28054 8.26400 2.64417 -209.84132 802.73979
2865.0000 -217.39816 -209.10379 8.29437 2.61262 -210.47021 765.46680
2870.0000 -219.22012 -211.98108 7.23904 2.59067 -210.90780 770.17704
2875.0000 -220.26789 -210.51970 9.74818 2.61634 -210.39606 789.22034
2880.0000 -219.65685 -210.17815 9.47870 2.61690 -210.38479 771.06609
2885.0000 -221.11907 -211.89308 9.22599 2.60161 -210.68965 787.82166
2890.0000 -221.89136 -213.36677 8.52459 2.52196 -212.27738 734.47304
2895.0000 -220.09601 -210.55367 9.54234 2.54085 -211.90092 742.25805
2900.0000 -219.07798 -210.19596 8.88202 2.63994 -209.92557 811.57317
2905.0000 -219.31597 -210.44918 8.86679 2.61459 -210.43094 760.03897
2910.0000 -219.83490 -210.28676 9.54814 2.65645 -209.59650 802.19078
2915.0000 -219.19890 -210.22808 8.97083 2.60513 -210.61947 765.88843
2920.0000 -218.13732 -209.98970 8.14762 2.62428 -210.23777 781.67898
2925.0000 -218.05884 -210.24728 7.81156 2.61826 -210.35773 750.26596
2930.0000 -220.72793 -210.67307 10.05486 2.60315 -210.65892 793.33319
2935.0000 -218.86811 -210.80585 8.06226 2.59198 -210.88164 762.44016
2940.0000 -218.65554 -209.61266 9.04288 2.63843 -209.95560 805.07801
2945.0000 -219.99806 -211.90036 8.09769 2.54647 -211.78884 749.24598
2950.0000 -218.97317 -209.40336 9.56981 2.61651 -210.39264 795.80488
2955.0000 -219.64659 -211.36758 8.27900 2.60640 -210.59414 790.38491
2960.0000 -218.68138 -209.81987 8.86151 2.57315 -211.25705 770.49487
2965.0000 -219.69660 -211.24734 8.44927 2.54938 -211.73072 758.58770
2970.0000 -219.58987 -210.04767 9.54220 2.59039 -210.91327 768.62644
2975.0000 -217.49583 -209.30575 8.19008 2.64424 -209.83994 814.25680
2980.0000 -219.27409 -209.95725 9.31683 2.69549 -208.81826 849.69917
2985.0000 -219.77996 -210.92723 8.85273 2.62765 -210.17061 804.25043
2990.0000 -219.32080 -210.41026 8.91054 2.57497 -211.22071 761.44657
2995.0000 -217.76560 -209.52947 8.23614 2.64314 -209.86172 805.73945
3000.0000 -219.28023 -208.71203 10.56821 2.69856 -208.75697 850.06402
FREEZING PROCESS: loop number 13 T-loop= 764.00000000000000
main_MD> interactions number 13 at Temperature= 764.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02886 1.93978 1.27239
force_rgl> df(natom) -1.37453 -2.59532 0.97169
3005.0000 -220.26756 -210.97058 9.29698 2.65140 -209.69713 830.76697
3010.0000 -219.88055 -211.75000 8.13055 2.55576 -211.60367 738.75100
3015.0000 -219.12230 -208.74967 10.37263 2.59965 -210.72876 768.97696
3020.0000 -219.85076 -211.04652 8.80424 2.63080 -210.10769 787.71509
3025.0000 -220.60348 -210.38778 10.21570 2.63022 -210.11927 809.51303
3030.0000 -220.93407 -212.05437 8.87971 2.55415 -211.63573 775.82081
3035.0000 -221.05494 -211.99398 9.06097 2.48142 -213.08545 698.53749
3040.0000 -221.81881 -212.71528 9.10353 2.52787 -212.15963 747.70868
3045.0000 -220.64802 -212.80963 7.83839 2.51172 -212.48151 738.94432
3050.0000 -218.89730 -210.26666 8.63064 2.54611 -211.79597 730.58235
3055.0000 -219.29117 -211.02884 8.26233 2.59231 -210.87511 758.48315
3060.0000 -219.48949 -210.05337 9.43612 2.61130 -210.49656 789.66826
3065.0000 -218.92232 -210.04887 8.87345 2.63136 -210.09669 774.67201
3070.0000 -218.72644 -209.38993 9.33650 2.65414 -209.64248 796.03004
3075.0000 -219.36579 -210.22050 9.14529 2.66051 -209.51543 814.82007
3080.0000 -219.96313 -211.29107 8.67205 2.57665 -211.18724 767.04584
3085.0000 -220.48393 -212.01765 8.46628 2.55835 -211.55202 725.34544
3090.0000 -220.74163 -210.89732 9.84431 2.54592 -211.79966 731.68865
3095.0000 -222.80459 -214.02714 8.77745 2.55620 -211.59483 762.02721
3100.0000 -221.74112 -215.15032 6.59080 2.42864 -214.13764 694.92269
3105.0000 -221.69075 -213.60362 8.08713 2.41637 -214.38220 675.23721
3110.0000 -221.97412 -213.14756 8.82655 2.46801 -213.35287 700.16358
3115.0000 -219.97789 -210.73785 9.24004 2.57249 -211.27006 764.01395
3120.0000 -220.28068 -212.33240 7.94828 2.53266 -212.06413 750.59711
3125.0000 -221.48514 -212.10980 9.37534 2.53789 -211.95986 734.90759
3130.0000 -220.96794 -211.86503 9.10291 2.53094 -212.09843 746.30623
3135.0000 -219.52796 -209.38872 10.13924 2.57603 -211.19949 783.82722
3140.0000 -220.56454 -211.49875 9.06578 2.58995 -210.92213 785.44657
3145.0000 -220.03065 -211.29091 8.73974 2.57217 -211.27645 774.32937
3150.0000 -221.34266 -212.86848 8.47418 2.53660 -211.98549 719.71713
3155.0000 -219.71417 -211.55409 8.16008 2.53033 -212.11058 720.64247
3160.0000 -221.96384 -213.72997 8.23387 2.47502 -213.21307 703.02140
3165.0000 -221.52260 -213.35337 8.16923 2.44370 -213.83748 685.71457
3170.0000 -221.44197 -212.99294 8.44903 2.49781 -212.75869 721.18368
3175.0000 -221.63838 -213.65113 7.98725 2.46844 -213.34419 713.44313
3180.0000 -221.21138 -212.33037 8.88101 2.44930 -213.72577 705.79333
3185.0000 -222.10969 -212.68010 9.42959 2.52938 -212.12940 749.53395
3190.0000 -220.45627 -212.29243 8.16384 2.47841 -213.14556 716.45127
3195.0000 -220.13912 -210.02285 10.11626 2.57132 -211.29341 787.79868
3200.0000 -218.69614 -208.97334 9.72280 2.63367 -210.05046 827.36333
3205.0000 -218.91774 -209.92471 8.99303 2.60830 -210.55620 793.52100
3210.0000 -219.91970 -210.82491 9.09479 2.62169 -210.28936 798.41683
3215.0000 -219.17732 -209.44544 9.73188 2.59986 -210.72459 785.08432
3220.0000 -219.97581 -211.27940 8.69641 2.60306 -210.66077 765.47911
3225.0000 -219.51398 -211.62730 7.88668 2.58238 -211.07302 761.51395
3230.0000 -221.68893 -212.52155 9.16738 2.53205 -212.07616 742.52807
3235.0000 -221.73336 -211.55647 10.17689 2.51903 -212.33587 738.03653
3240.0000 -219.31082 -211.03195 8.27886 2.58053 -211.10994 782.77250
3245.0000 -218.12305 -209.04462 9.07843 2.63010 -210.12172 795.98920
3250.0000 -219.09170 -210.93140 8.16031 2.64021 -209.92026 796.21751
FREEZING PROCESS: loop number 14 T-loop= 739.00000000000000
main_MD> interactions number 14 at Temperature= 739.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65381 -0.51488 -1.80874
force_rgl> df(natom) -1.33356 0.36985 -0.91918
3255.0000 -220.36992 -211.50025 8.86967 2.64045 -209.91538 805.70916
3260.0000 -220.50065 -213.20179 7.29886 2.49553 -212.80418 718.11273
3265.0000 -220.65223 -212.64689 8.00534 2.50670 -212.58159 733.99724
3270.0000 -220.55778 -212.07043 8.48736 2.53177 -212.08184 747.83579
3275.0000 -222.21164 -215.45544 6.75620 2.40487 -214.61135 661.41931
3280.0000 -221.59225 -213.42852 8.16374 2.45570 -213.59830 711.82387
3285.0000 -221.21822 -213.44440 7.77381 2.46390 -213.43474 710.80409
3290.0000 -221.20284 -211.48845 9.71439 2.51321 -212.45171 737.26101
3295.0000 -221.53020 -212.22980 9.30040 2.54400 -211.83813 755.34362
3300.0000 -219.85523 -209.98860 9.86662 2.53364 -212.04447 744.01037
3305.0000 -219.14186 -209.98106 9.16079 2.65396 -209.64613 809.44881
3310.0000 -221.02964 -213.19244 7.83719 2.55930 -211.53295 762.17704
3315.0000 -221.88724 -213.97683 7.91042 2.49253 -212.86399 703.18605
3320.0000 -220.68435 -213.50171 7.18264 2.46296 -213.45357 702.86528
3325.0000 -220.97935 -213.63467 7.34468 2.48374 -213.03920 714.08096
3330.0000 -221.88257 -212.57731 9.30526 2.48577 -212.99883 708.73065
3335.0000 -220.02393 -210.98427 9.03965 2.51766 -212.36308 714.24851
3340.0000 -219.06556 -210.65821 8.40736 2.60173 -210.68725 787.86407
3345.0000 -217.87788 -209.80007 8.07781 2.60347 -210.65256 786.85491
3350.0000 -219.02661 -209.22074 9.80587 2.64772 -209.77056 812.84083
3355.0000 -218.36387 -209.89997 8.46390 2.70533 -208.62215 825.96662
3360.0000 -218.67229 -210.52484 8.14745 2.62275 -210.26817 788.19922
3365.0000 -219.45019 -208.47301 10.97718 2.67066 -209.31325 818.11749
3370.0000 -219.72137 -211.09330 8.62808 2.63845 -209.95531 802.09663
3375.0000 -219.18133 -211.37668 7.80465 2.61232 -210.47611 806.00390
3380.0000 -219.23757 -210.54849 8.68908 2.58856 -210.94970 757.46816
3385.0000 -219.89604 -212.18608 7.70996 2.53510 -212.01548 708.74200
3390.0000 -219.71441 -210.42782 9.28658 2.56993 -211.32122 726.58423
3395.0000 -220.34103 -211.39822 8.94281 2.61266 -210.46934 781.80476
3400.0000 -221.08601 -211.72373 9.36228 2.56588 -211.40192 764.03513
3405.0000 -219.98967 -211.43770 8.55197 2.58697 -210.98152 759.50200
3410.0000 -220.62645 -213.01701 7.60944 2.53636 -211.99040 748.01972
3415.0000 -221.25144 -213.04627 8.20517 2.50977 -212.52046 747.00967
3420.0000 -220.70090 -212.09185 8.60905 2.51085 -212.49893 737.23147
3425.0000 -221.59243 -213.82218 7.77025 2.49352 -212.84434 732.97950
3430.0000 -220.61918 -211.20968 9.40950 2.50117 -212.69172 720.53575
3435.0000 -219.93990 -210.77282 9.16709 2.59701 -210.78129 762.01183
3440.0000 -218.91594 -210.43786 8.47809 2.60880 -210.54638 768.88564
3445.0000 -220.51123 -212.91812 7.59311 2.55675 -211.58380 745.88615
3450.0000 -222.47882 -214.86817 7.61065 2.47885 -213.13675 711.86821
3455.0000 -222.13750 -213.20092 8.93658 2.43991 -213.91296 670.34552
3460.0000 -221.18562 -212.45111 8.73452 2.49673 -212.78029 712.88669
3465.0000 -221.06584 -212.25970 8.80614 2.52355 -212.24577 733.41369
3470.0000 -218.56677 -210.30487 8.26190 2.57282 -211.26357 757.88167
3475.0000 -220.31733 -211.35222 8.96511 2.57288 -211.26225 771.73305
3480.0000 -220.72420 -211.68155 9.04265 2.58327 -211.05532 768.91708
3485.0000 -221.10081 -213.01582 8.08499 2.54377 -211.84256 728.58211
3490.0000 -222.04179 -213.20747 8.83432 2.45866 -213.53913 699.83731
3495.0000 -221.12855 -212.77790 8.35066 2.46678 -213.37726 726.79938
3500.0000 -220.18954 -211.97203 8.21750 2.48220 -213.07004 709.07908
FREEZING PROCESS: loop number 15 T-loop= 714.00000000000000
main_MD> interactions number 15 at Temperature= 714.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90328 -4.04778 2.64109
force_rgl> df(natom) -0.04520 -1.12907 -0.11605
3505.0000 -221.76412 -213.17956 8.58456 2.49970 -212.72101 708.74273
3510.0000 -221.23064 -213.19673 8.03392 2.44895 -213.73276 703.67036
3515.0000 -221.67554 -212.89726 8.77828 2.49225 -212.86969 724.30429
3520.0000 -222.09426 -213.70109 8.39317 2.46822 -213.34861 705.85128
3525.0000 -219.85822 -211.75817 8.10005 2.49551 -212.80460 725.47321
3530.0000 -220.46384 -213.12511 7.33873 2.55946 -211.52989 734.91361
3535.0000 -221.62832 -214.11875 7.50958 2.49355 -212.84367 692.21595
3540.0000 -220.23448 -212.87629 7.35819 2.49610 -212.79288 718.11509
3545.0000 -220.62909 -212.22051 8.40858 2.50244 -212.66655 704.58680
3550.0000 -221.27245 -212.44773 8.82472 2.53840 -211.94969 721.87996
3555.0000 -220.55171 -211.48152 9.07019 2.51443 -212.42745 713.89426
3560.0000 -219.96714 -212.33861 7.62854 2.53683 -211.98099 757.16003
3565.0000 -220.93719 -213.18063 7.75656 2.49915 -212.73204 720.36708
3570.0000 -221.70756 -213.10259 8.60496 2.52738 -212.16944 734.60357
3575.0000 -220.71848 -212.25777 8.46071 2.51884 -212.33962 726.49417
3580.0000 -220.44442 -212.79517 7.64925 2.51812 -212.35388 732.64551
3585.0000 -222.47813 -214.31292 8.16521 2.38782 -214.95129 671.99467
3590.0000 -221.94581 -212.57802 9.36778 2.46348 -213.44308 690.74586
3595.0000 -220.73634 -213.23045 7.50589 2.47855 -213.14280 717.56026
3600.0000 -220.17931 -211.17991 8.99939 2.52256 -212.26535 740.77670
3605.0000 -220.72570 -213.10617 7.61953 2.52616 -212.19360 712.73377
3610.0000 -221.19205 -213.06924 8.12281 2.48190 -213.07590 697.33795
3615.0000 -220.03705 -212.34662 7.69043 2.50781 -212.55940 733.33373
3620.0000 -219.00717 -211.24487 7.76229 2.55175 -211.68350 754.65728
3625.0000 -219.88433 -211.61691 8.26741 2.54237 -211.87047 736.62972
3630.0000 -219.05830 -211.04698 8.01133 2.54881 -211.74217 733.91413
3635.0000 -220.45636 -211.81778 8.63858 2.52836 -212.14972 737.28488
3640.0000 -222.49324 -214.41260 8.08064 2.45705 -213.57134 691.55395
3645.0000 -222.20082 -214.39043 7.81040 2.44032 -213.90486 714.64442
3650.0000 -222.73976 -215.39007 7.34969 2.37890 -215.12922 632.14069
3655.0000 -221.32883 -214.59299 6.73584 2.42556 -214.19908 658.57877
3660.0000 -222.39323 -214.81983 7.57340 2.41175 -214.47435 681.36878
3665.0000 -222.06146 -214.38566 7.67580 2.42510 -214.20823 677.80892
3670.0000 -222.26548 -215.22837 7.03710 2.38967 -214.91447 682.50542
3675.0000 -222.61691 -215.46177 7.15514 2.39329 -214.84235 672.27587
3680.0000 -221.92498 -215.07043 6.85455 2.35768 -215.55204 637.17124
3685.0000 -221.66450 -212.77809 8.88642 2.46086 -213.49536 684.13353
3690.0000 -222.66733 -213.94531 8.72202 2.44813 -213.74912 671.63486
3695.0000 -220.62949 -212.72022 7.90927 2.48045 -213.10493 717.12619
3700.0000 -220.54853 -212.29011 8.25842 2.46701 -213.37278 710.40694
3705.0000 -220.20703 -212.47584 7.73119 2.52061 -212.30421 732.44096
3710.0000 -220.79615 -213.79394 7.00220 2.52328 -212.25103 715.26324
3715.0000 -222.10785 -213.83533 8.27252 2.45360 -213.64012 676.77753
3720.0000 -222.94731 -214.15762 8.78969 2.43274 -214.05582 675.47462
3725.0000 -222.05864 -213.70069 8.35794 2.45669 -213.57845 686.23898
3730.0000 -221.53952 -214.10105 7.43847 2.46023 -213.50789 678.81660
3735.0000 -221.33256 -212.64651 8.68605 2.48180 -213.07794 677.97057
3740.0000 -220.02849 -212.54983 7.47866 2.51422 -212.43174 696.56712
3745.0000 -222.39101 -213.77811 8.61290 2.47441 -213.22519 678.34985
3750.0000 -222.58177 -214.13068 8.45109 2.42516 -214.20699 684.59802
FREEZING PROCESS: loop number 16 T-loop= 689.00000000000000
main_MD> interactions number 16 at Temperature= 689.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41543 1.55866 0.16467
force_rgl> df(natom) 1.48329 -0.42172 -0.56741
3755.0000 -222.09840 -214.88294 7.21546 2.39311 -214.84591 680.32007
3760.0000 -221.82316 -214.24247 7.58069 2.38984 -214.91100 684.78854
3765.0000 -223.11105 -215.29563 7.81542 2.40282 -214.65240 673.27880
3770.0000 -223.09181 -214.51965 8.57217 2.40816 -214.54592 658.69402
3775.0000 -221.36432 -215.20432 6.16000 2.38818 -214.94421 663.08203
3780.0000 -221.34191 -213.80173 7.54018 2.40152 -214.67831 672.63301
3785.0000 -222.51577 -214.77191 7.74385 2.40807 -214.54771 686.36908
3790.0000 -222.71198 -215.73554 6.97644 2.36599 -215.38640 630.99868
3795.0000 -220.97878 -214.13806 6.84072 2.40402 -214.62831 665.86612
3800.0000 -223.31717 -216.48839 6.82878 2.40812 -214.54671 675.57702
3805.0000 -222.28926 -215.41811 6.87115 2.34745 -215.75612 659.88305
3810.0000 -221.99957 -213.89594 8.10363 2.41804 -214.34897 684.57407
3815.0000 -222.03669 -214.04356 7.99314 2.42782 -214.15394 685.82080
3820.0000 -219.60212 -213.03791 6.56421 2.51228 -212.47043 710.74879
3825.0000 -221.02114 -212.74919 8.27195 2.50936 -212.52854 727.51098
3830.0000 -222.35723 -214.02596 8.33127 2.44216 -213.86811 685.67811
3835.0000 -220.97068 -212.72578 8.24489 2.45826 -213.54721 701.21827
3840.0000 -221.74459 -214.01320 7.73139 2.43848 -213.94139 677.57189
3845.0000 -219.87014 -212.74423 7.12591 2.46889 -213.33534 694.70440
3850.0000 -220.51653 -213.08611 7.43042 2.50256 -212.66409 700.83276
3855.0000 -219.63235 -211.71409 7.91826 2.49482 -212.81841 721.32402
3860.0000 -218.94185 -210.56651 8.37534 2.54879 -211.74251 754.93335
3865.0000 -220.85142 -212.90354 7.94789 2.49650 -212.78497 729.41609
3870.0000 -219.15013 -211.89007 7.26006 2.52368 -212.24300 721.33221
3875.0000 -221.10274 -212.36107 8.74166 2.51308 -212.45432 707.32150
3880.0000 -220.66821 -212.33832 8.32990 2.51006 -212.51453 722.40741
3885.0000 -221.30441 -212.78235 8.52206 2.49554 -212.80402 722.75713
3890.0000 -221.86083 -212.96798 8.89285 2.48265 -213.06094 703.36053
3895.0000 -221.55889 -212.68458 8.87431 2.47475 -213.21845 713.43205
3900.0000 -222.30580 -213.60743 8.69838 2.46604 -213.39216 707.33141
3905.0000 -220.84022 -213.46241 7.37781 2.43168 -214.07707 682.61619
3910.0000 -222.53933 -215.43831 7.10101 2.39996 -214.70934 659.26774
3915.0000 -220.85426 -213.26083 7.59342 2.41831 -214.34362 677.32255
3920.0000 -221.33813 -213.54621 7.79192 2.45820 -213.54827 701.08825
3925.0000 -221.30115 -213.20054 8.10062 2.44844 -213.74288 677.21168
3930.0000 -222.83421 -214.89125 7.94295 2.42824 -214.14549 672.10986
3935.0000 -222.12018 -213.18835 8.93183 2.43541 -214.00269 673.52518
3940.0000 -222.05502 -213.11788 8.93714 2.43942 -213.92272 696.14783
3945.0000 -220.29145 -212.45599 7.83547 2.49140 -212.88649 725.56299
3950.0000 -222.94704 -214.53448 8.41256 2.43964 -213.91837 678.31135
3955.0000 -220.59144 -213.53275 7.05869 2.42125 -214.28493 655.66694
3960.0000 -220.27619 -211.80251 8.47368 2.52467 -212.22338 739.07152
3965.0000 -222.22230 -212.48514 9.73715 2.52162 -212.28407 720.21306
3970.0000 -221.38728 -212.57670 8.81058 2.49112 -212.89216 718.20088
3975.0000 -221.65791 -213.44608 8.21183 2.44761 -213.75952 679.65234
3980.0000 -222.28184 -213.44847 8.83337 2.49282 -212.85829 715.25795
3985.0000 -220.88213 -211.95018 8.93196 2.51630 -212.39013 714.42693
3990.0000 -221.21543 -213.57063 7.64480 2.50670 -212.58164 718.03083
3995.0000 -222.09961 -214.95062 7.14900 2.41067 -214.49589 663.18809
4000.0000 -222.34806 -214.83528 7.51278 2.38571 -214.99343 642.63387
FREEZING PROCESS: loop number 17 T-loop= 664.00000000000000
main_MD> interactions number 17 at Temperature= 664.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.16520 2.06245 -0.42630
force_rgl> df(natom) -1.63041 -0.72251 -3.06266
4005.0000 -222.41901 -215.71445 6.70456 2.37208 -215.26514 632.74264
4010.0000 -222.40202 -214.11398 8.28805 2.38427 -215.02211 657.29732
4015.0000 -222.25804 -214.72711 7.53093 2.40874 -214.53433 640.51047
4020.0000 -220.78285 -213.62863 7.15422 2.46071 -213.49842 695.42129
4025.0000 -221.19372 -214.05172 7.14200 2.47620 -213.18957 696.65579
4030.0000 -222.98394 -216.19946 6.78448 2.38901 -214.92769 642.97114
4035.0000 -222.64464 -216.64120 6.00345 2.34509 -215.80309 645.17010
4040.0000 -222.26094 -215.42518 6.83576 2.34636 -215.77778 623.59158
4045.0000 -221.21260 -214.35666 6.85594 2.40798 -214.54944 657.90585
4050.0000 -223.09582 -215.67777 7.41805 2.36364 -215.43330 634.16681
4055.0000 -222.28492 -213.55069 8.73423 2.38506 -215.00626 642.89832
4060.0000 -221.28582 -214.19470 7.09112 2.43300 -214.05071 666.25343
4065.0000 -221.50855 -214.67501 6.83354 2.40032 -214.70224 658.42107
4070.0000 -222.93741 -216.12650 6.81091 2.38267 -215.05407 647.23232
4075.0000 -221.38115 -213.98047 7.40068 2.36094 -215.48719 647.84839
4080.0000 -221.87079 -215.23599 6.63480 2.37601 -215.18679 640.64435
4085.0000 -223.35182 -215.59052 7.76130 2.40073 -214.69389 664.26725
4090.0000 -223.91964 -216.62046 7.29918 2.32595 -216.18456 615.09808
4095.0000 -223.92558 -216.68196 7.24362 2.30769 -216.54854 628.67120
4100.0000 -224.59429 -216.65177 7.94252 2.30368 -216.62850 606.97058
4105.0000 -221.25173 -214.67322 6.57851 2.36257 -215.45463 647.31566
4110.0000 -222.21931 -214.63382 7.58549 2.42087 -214.29258 659.89691
4115.0000 -221.57627 -214.43823 7.13804 2.38929 -214.92199 649.83500
4120.0000 -221.91605 -214.58955 7.32650 2.43916 -213.92790 666.51360
4125.0000 -221.53621 -213.82717 7.70904 2.41905 -214.32872 651.79930
4130.0000 -222.20205 -214.09836 8.10369 2.43123 -214.08606 664.93593
4135.0000 -221.61838 -213.97281 7.64558 2.42891 -214.13216 658.22718
4140.0000 -221.04218 -212.50622 8.53595 2.47561 -213.20133 711.93674
4145.0000 -221.69765 -212.84886 8.84879 2.46967 -213.31980 700.67310
4150.0000 -220.72053 -211.73315 8.98738 2.49657 -212.78343 703.41451
4155.0000 -220.79841 -212.91954 7.87887 2.53612 -211.99511 741.84035
4160.0000 -221.09936 -212.63932 8.46004 2.44158 -213.87963 668.70516
4165.0000 -221.12007 -213.58327 7.53681 2.47088 -213.29553 717.92363
4170.0000 -222.61137 -214.88311 7.72827 2.40367 -214.63527 696.03956
4175.0000 -222.09756 -214.79260 7.30496 2.36302 -215.44567 618.03221
4180.0000 -222.11852 -214.45728 7.66124 2.39268 -214.85451 658.27986
4185.0000 -222.23907 -213.30346 8.93561 2.45673 -213.57761 698.22392
4190.0000 -222.42433 -214.91368 7.51065 2.41507 -214.40818 661.59094
4195.0000 -222.61508 -214.43644 8.17864 2.41202 -214.46896 656.50042
4200.0000 -222.24335 -214.90568 7.33767 2.41610 -214.38749 671.36517
4205.0000 -223.09065 -213.84092 9.24972 2.41920 -214.32579 678.87966
4210.0000 -220.61020 -212.46625 8.14395 2.43606 -213.98977 678.53697
4215.0000 -221.81136 -214.19907 7.61229 2.45828 -213.54680 688.39351
4220.0000 -222.27786 -214.04911 8.22875 2.43953 -213.92056 686.47170
4225.0000 -221.69082 -213.73147 7.95935 2.44785 -213.75464 691.58197
4230.0000 -222.55143 -215.12591 7.42552 2.39811 -214.74627 682.89746
4235.0000 -222.29591 -215.10798 7.18793 2.42118 -214.28635 688.35208
4240.0000 -221.53833 -213.34605 8.19228 2.42801 -214.15008 645.40461
4245.0000 -222.64171 -214.93736 7.70434 2.43820 -213.94698 678.28620
4250.0000 -223.58597 -216.01257 7.57339 2.36676 -215.37115 643.41413
FREEZING PROCESS: loop number 18 T-loop= 639.00000000000000
main_MD> interactions number 18 at Temperature= 639.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03398 -0.02895 2.05350
force_rgl> df(natom) 0.91325 1.08255 -1.45206
4255.0000 -223.23234 -215.93355 7.29879 2.33365 -216.03121 635.42837
4260.0000 -223.78486 -216.63984 7.14502 2.33324 -216.03923 630.83055
4265.0000 -222.76670 -216.01302 6.75368 2.30257 -216.65061 599.19255
4270.0000 -224.46174 -217.43843 7.02331 2.30487 -216.60475 598.14846
4275.0000 -223.18615 -215.74421 7.44194 2.31752 -216.35272 621.92901
4280.0000 -222.82858 -215.87610 6.95248 2.36589 -215.38853 640.07489
4285.0000 -222.82596 -214.59286 8.23311 2.35682 -215.56928 623.75413
4290.0000 -221.96571 -215.01724 6.94846 2.37921 -215.12291 647.76517
4295.0000 -221.78616 -214.53604 7.25012 2.39064 -214.89502 661.36444
4300.0000 -223.49852 -216.12723 7.37129 2.37405 -215.22572 639.89579
4305.0000 -223.45092 -215.66898 7.78194 2.32727 -216.15839 618.67061
4310.0000 -224.29418 -216.14943 8.14475 2.34716 -215.76189 622.39863
4315.0000 -222.14991 -214.51892 7.63099 2.37329 -215.24099 629.94772
4320.0000 -223.23799 -214.93180 8.30619 2.39184 -214.87113 633.70414
4325.0000 -222.40774 -214.62400 7.78375 2.38819 -214.94403 624.94276
4330.0000 -221.47290 -214.28608 7.18682 2.40534 -214.60216 654.72280
4335.0000 -223.38666 -214.81705 8.56960 2.36822 -215.34209 645.66698
4340.0000 -222.61379 -215.68010 6.93370 2.36254 -215.45528 631.82704
4345.0000 -224.12315 -216.22672 7.89642 2.32451 -216.21324 625.87077
4350.0000 -223.96928 -217.30918 6.66009 2.29632 -216.77529 603.02904
4355.0000 -222.07312 -214.27014 7.80299 2.34372 -215.83046 632.75562
4360.0000 -222.40035 -215.79417 6.60619 2.40297 -214.64923 691.84681
4365.0000 -222.63835 -215.76282 6.87553 2.38130 -215.08121 669.69307
4370.0000 -223.52789 -216.84892 6.67897 2.34526 -215.79962 626.32194
4375.0000 -223.44169 -216.41982 7.02187 2.31647 -216.37370 599.33400
4380.0000 -221.85984 -215.17030 6.68954 2.33429 -216.01845 619.54417
4385.0000 -222.84291 -215.69922 7.14369 2.35036 -215.69795 636.09025
4390.0000 -223.42667 -215.27142 8.15525 2.37761 -215.15490 678.25317
4395.0000 -221.63127 -215.24406 6.38721 2.37938 -215.11947 677.98877
4400.0000 -223.87086 -216.29950 7.57137 2.34408 -215.82316 644.96480
4405.0000 -222.69801 -215.33451 7.36350 2.35911 -215.52371 642.07344
4410.0000 -222.33474 -215.80614 6.52859 2.36754 -215.35550 654.07358
4415.0000 -223.51753 -216.77032 6.74722 2.31051 -216.49239 607.90403
4420.0000 -223.74717 -216.47413 7.27303 2.29081 -216.88514 593.78111
4425.0000 -223.26823 -216.03745 7.23077 2.33422 -216.01976 630.61428
4430.0000 -224.10699 -217.27282 6.83417 2.31368 -216.42928 622.24502
4435.0000 -223.60876 -217.54396 6.06480 2.27300 -217.24005 573.80382
4440.0000 -223.20621 -215.72051 7.48570 2.30664 -216.56958 596.19292
4445.0000 -222.96869 -214.72272 8.24597 2.37812 -215.14475 668.61322
4450.0000 -221.48233 -215.46065 6.02168 2.34584 -215.78811 625.26020
4455.0000 -222.52644 -214.70513 7.82131 2.37781 -215.15090 627.65009
4460.0000 -222.96524 -214.99196 7.97329 2.38090 -215.08929 633.25564
4465.0000 -222.87314 -215.37754 7.49560 2.39275 -214.85301 662.41025
4470.0000 -222.35476 -216.44413 5.91064 2.32685 -216.16677 613.60285
4475.0000 -223.65441 -215.94383 7.71058 2.33037 -216.09652 614.14230
4480.0000 -222.36766 -214.95269 7.41497 2.35684 -215.56891 636.00363
4485.0000 -222.47891 -214.91413 7.56478 2.38379 -215.03169 658.74080
4490.0000 -224.22019 -216.35521 7.86497 2.37820 -215.14306 654.97630
4495.0000 -223.60868 -216.33583 7.27284 2.30920 -216.51846 610.05018
4500.0000 -221.84238 -215.53674 6.30564 2.32575 -216.18860 630.16029
FREEZING PROCESS: loop number 19 T-loop= 614.00000000000000
main_MD> interactions number 19 at Temperature= 614.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14380 -0.10390 1.77287
force_rgl> df(natom) -9.70438 1.01515 5.78761
4505.0000 -224.10578 -217.12086 6.98492 2.29258 -216.84992 609.55697
4510.0000 -223.39930 -216.83721 6.56209 2.27080 -217.28406 583.43267
4515.0000 -223.41423 -215.84048 7.57375 2.32829 -216.13790 611.10408
4520.0000 -222.90745 -216.45896 6.44848 2.35564 -215.59280 638.06902
4525.0000 -223.42351 -216.64819 6.77532 2.26874 -217.32502 597.90545
4530.0000 -224.49157 -218.20608 6.28549 2.26780 -217.34381 637.83804
4535.0000 -224.49918 -217.55505 6.94413 2.19628 -218.76938 583.41252
4540.0000 -225.95520 -218.96577 6.98943 2.21773 -218.34179 609.67302
4545.0000 -224.13284 -216.45586 7.67698 2.26508 -217.39791 630.62083
4550.0000 -223.75798 -216.05616 7.70182 2.31433 -216.41627 636.84800
4555.0000 -223.97966 -214.60337 9.37629 2.35669 -215.57179 679.06238
4560.0000 -223.31717 -214.67945 8.63772 2.36442 -215.41771 688.52058
4565.0000 -224.36768 -217.58687 6.78080 2.34200 -215.86463 679.30662
4570.0000 -223.76182 -217.39746 6.36436 2.30046 -216.69278 598.66576
4575.0000 -222.30781 -215.74550 6.56231 2.32133 -216.27678 623.73473
4580.0000 -223.20994 -215.35557 7.85437 2.36686 -215.36908 658.39647
4585.0000 -224.52260 -217.90859 6.61401 2.26243 -217.45089 588.23314
4590.0000 -223.66006 -216.74584 6.91423 2.26367 -217.42617 573.83999
4595.0000 -223.00670 -215.85166 7.15504 2.31530 -216.39690 603.25184
4600.0000 -223.48033 -216.73875 6.74158 2.32314 -216.24070 614.37251
4605.0000 -223.58165 -216.35205 7.22959 2.30125 -216.67705 592.50518
4610.0000 -224.43779 -217.85811 6.57967 2.30679 -216.56650 608.84691
4615.0000 -224.11501 -216.57958 7.53543 2.25886 -217.52205 569.16147
4620.0000 -223.13691 -215.09647 8.04044 2.34158 -215.87306 638.21285
4625.0000 -224.24480 -215.95483 8.28996 2.34103 -215.88394 635.40615
4630.0000 -222.26516 -214.37983 7.88533 2.35568 -215.59208 621.54846
4635.0000 -222.38833 -214.83261 7.55572 2.38870 -214.93371 643.64264
4640.0000 -222.70376 -215.00457 7.69919 2.38492 -215.00909 649.91104
4645.0000 -223.20603 -216.37807 6.82797 2.37372 -215.23230 644.78329
4650.0000 -223.98841 -217.81327 6.17514 2.26425 -217.41460 564.95721
4655.0000 -222.94151 -215.97186 6.96965 2.29011 -216.89897 603.70296
4660.0000 -223.15262 -215.82849 7.32413 2.29590 -216.78361 607.44817
4665.0000 -221.31253 -213.37442 7.93811 2.38561 -214.99538 625.48729
4670.0000 -222.39935 -214.15196 8.24738 2.44450 -213.82147 694.32946
4675.0000 -222.95699 -214.82313 8.13386 2.41068 -214.49572 673.10537
4680.0000 -222.64679 -215.29432 7.35247 2.38201 -215.06722 656.16756
4685.0000 -224.07020 -216.82852 7.24168 2.35860 -215.53373 628.65180
4690.0000 -222.57202 -216.09294 6.47908 2.30878 -216.52682 582.57855
4695.0000 -223.22099 -216.48847 6.73253 2.32037 -216.29590 593.17430
4700.0000 -222.88578 -216.87021 6.01557 2.28974 -216.90650 573.13951
4705.0000 -223.54729 -217.55300 5.99429 2.24178 -217.86240 534.45690
4710.0000 -223.55274 -216.60748 6.94526 2.28304 -217.03999 580.39016
4715.0000 -224.61645 -216.95473 7.66172 2.30046 -216.69265 578.45294
4720.0000 -224.46031 -218.24417 6.21613 2.26531 -217.39351 566.27352
4725.0000 -222.69729 -215.56992 7.12737 2.26517 -217.39615 578.20619
4730.0000 -222.93006 -216.73937 6.19068 2.30435 -216.61529 595.28958
4735.0000 -224.83889 -217.63694 7.20195 2.27105 -217.27898 586.89495
4740.0000 -225.84153 -218.03095 7.81058 2.23345 -218.02847 577.76522
4745.0000 -223.68250 -217.47409 6.20841 2.25988 -217.50167 594.64316
4750.0000 -224.50279 -217.49240 7.01039 2.28969 -216.90747 590.44532
FREEZING PROCESS: loop number 20 T-loop= 589.00000000000000
main_MD> interactions number 20 at Temperature= 589.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50258 0.50583 -2.17841
force_rgl> df(natom) -0.45390 -2.55160 4.45328
4755.0000 -223.02222 -216.68965 6.33257 2.26836 -217.33271 565.34587
4760.0000 -224.07795 -217.85898 6.21897 2.27988 -217.10296 591.71624
4765.0000 -224.38689 -217.36249 7.02440 2.24013 -217.89540 573.90855
4770.0000 -224.34771 -217.63225 6.71547 2.23998 -217.89839 575.01807
4775.0000 -224.13212 -216.79225 7.33987 2.29200 -216.86139 602.80498
4780.0000 -222.29102 -214.95131 7.33972 2.36748 -215.35673 660.81185
4785.0000 -223.78979 -216.71811 7.07168 2.33747 -215.95501 617.96819
4790.0000 -223.79138 -216.57684 7.21454 2.31937 -216.31570 611.99695
4795.0000 -223.25752 -216.77578 6.48174 2.30503 -216.60161 612.95615
4800.0000 -224.24805 -217.69869 6.54935 2.28240 -217.05274 579.49699
4805.0000 -224.14400 -218.50216 5.64184 2.27700 -217.16041 581.67463
4810.0000 -224.67629 -218.69494 5.98135 2.17645 -219.16484 517.19727
4815.0000 -223.99253 -217.81008 6.18245 2.22834 -218.13029 550.77967
4820.0000 -222.95977 -216.60263 6.35715 2.26230 -217.45345 563.88302
4825.0000 -223.38557 -215.85136 7.53421 2.36154 -215.47519 625.31337
4830.0000 -223.23725 -217.17282 6.06442 2.32739 -216.15586 615.44958
4835.0000 -223.15779 -216.94652 6.21128 2.28682 -216.96456 578.99419
4840.0000 -222.42577 -215.67923 6.74654 2.28248 -217.05112 583.33479
4845.0000 -222.49072 -216.19719 6.29352 2.32611 -216.18138 611.00369
4850.0000 -222.86022 -215.67876 7.18145 2.32444 -216.21470 615.43988
4855.0000 -222.60115 -215.98911 6.61204 2.34948 -215.71567 640.22033
4860.0000 -223.30463 -216.42390 6.88073 2.33709 -215.96247 638.87586
4865.0000 -224.15950 -216.68458 7.47492 2.27520 -217.19620 575.40810
4870.0000 -224.52683 -217.52058 7.00624 2.25765 -217.54619 571.53539
4875.0000 -223.49754 -216.51366 6.98388 2.28211 -217.05860 594.37130
4880.0000 -223.89177 -218.04387 5.84790 2.29328 -216.83591 592.54114
4885.0000 -223.98912 -216.54678 7.44234 2.29080 -216.88532 601.65714
4890.0000 -223.17013 -216.48594 6.68418 2.26594 -217.38092 569.02426
4895.0000 -223.42527 -216.61571 6.80956 2.29213 -216.85873 592.40529
4900.0000 -223.97492 -217.38523 6.58969 2.27926 -217.11528 577.76903
4905.0000 -223.29635 -217.54970 5.74666 2.24407 -217.81690 574.98766
4910.0000 -223.50942 -216.21899 7.29043 2.30771 -216.54829 608.43599
4915.0000 -223.17390 -216.27514 6.89876 2.30779 -216.54669 588.40443
4920.0000 -223.36223 -216.42120 6.94102 2.29920 -216.71789 587.31431
4925.0000 -223.74854 -215.96023 7.78832 2.28598 -216.98139 563.59235
4930.0000 -223.67032 -216.53009 7.14023 2.33888 -215.92690 612.32472
4935.0000 -224.38207 -216.61043 7.77165 2.30909 -216.52077 616.16225
4940.0000 -222.20007 -214.70053 7.49953 2.34891 -215.72695 659.04771
4945.0000 -223.03982 -216.15612 6.88370 2.35765 -215.55264 638.14079
4950.0000 -222.96852 -216.85965 6.10887 2.29322 -216.83700 580.55778
4955.0000 -224.13195 -218.20401 5.92794 2.28035 -217.09372 574.33819
4960.0000 -225.09705 -218.41627 6.68078 2.23093 -218.07875 552.83023
4965.0000 -222.90356 -216.79448 6.10908 2.25346 -217.62956 571.09317
4970.0000 -224.50913 -218.05614 6.45299 2.27302 -217.23976 590.26164
4975.0000 -224.58922 -217.97092 6.61830 2.23372 -218.02321 558.97663
4980.0000 -224.07527 -217.39305 6.68222 2.23028 -218.09180 559.74230
4985.0000 -224.37051 -217.05500 7.31551 2.28241 -217.05259 593.28116
4990.0000 -223.79166 -216.83642 6.95525 2.28449 -217.01109 596.42347
4995.0000 -224.27750 -216.90494 7.37256 2.28027 -217.09517 582.29121
5000.0000 -223.72660 -217.41343 6.31317 2.30420 -216.61816 616.54206
FREEZING PROCESS: loop number 21 T-loop= 564.00000000000000
main_MD> interactions number 21 at Temperature= 564.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24547 -0.43813 -2.79696
force_rgl> df(natom) 0.46669 -3.34272 -4.69128
5005.0000 -223.71086 -216.99017 6.72069 2.26465 -217.40654 576.86957
5010.0000 -223.90817 -217.31067 6.59750 2.31076 -216.48735 622.56295
5015.0000 -225.54126 -219.13020 6.41105 2.24012 -217.89559 583.94620
5020.0000 -226.33051 -219.07913 7.25138 2.16132 -219.46627 530.91616
5025.0000 -225.94771 -219.26606 6.68165 2.17791 -219.13572 549.87757
5030.0000 -226.07823 -220.66043 5.41780 2.13616 -219.96793 521.27250
5035.0000 -226.17490 -219.81496 6.35994 2.14191 -219.85326 523.54865
5040.0000 -225.92093 -220.14109 5.77984 2.15012 -219.68960 544.71975
5045.0000 -225.51707 -219.46549 6.05157 2.16849 -219.32334 541.21351
5050.0000 -225.52144 -218.10725 7.41419 2.20475 -218.60058 563.90094
5055.0000 -225.24602 -217.85514 7.39088 2.21783 -218.33982 576.78019
5060.0000 -225.10831 -218.26115 6.84717 2.23208 -218.05585 588.03794
5065.0000 -225.56197 -219.04112 6.52084 2.21673 -218.36184 569.38686
5070.0000 -226.43973 -219.96689 6.47284 2.16665 -219.36014 543.75951
5075.0000 -226.14018 -220.32131 5.81887 2.11613 -220.36719 514.55572
5080.0000 -226.00021 -219.77580 6.22441 2.13702 -219.95075 525.82813
5085.0000 -225.95971 -219.42066 6.53905 2.12913 -220.10809 518.10518
5090.0000 -225.46843 -218.80344 6.66499 2.17218 -219.24980 561.66001
5095.0000 -225.66490 -219.05350 6.61140 2.16699 -219.35335 551.34622
5100.0000 -224.46459 -218.07152 6.39307 2.17931 -219.10775 549.30618
5105.0000 -226.34373 -219.52260 6.82113 2.18786 -218.93736 550.59525
5110.0000 -226.67399 -218.67162 8.00237 2.17323 -219.22897 565.76331
5115.0000 -224.88793 -218.47627 6.41167 2.20929 -218.51020 566.90019
5120.0000 -225.10933 -218.20656 6.90278 2.23390 -218.01946 569.59779
5125.0000 -224.34738 -218.41106 5.93633 2.22509 -218.19516 576.55867
5130.0000 -225.79399 -219.91919 5.87480 2.16612 -219.37077 521.76498
5135.0000 -225.23229 -219.48436 5.74793 2.13650 -219.96114 509.74414
5140.0000 -224.34631 -218.33172 6.01459 2.21004 -218.49521 557.50529
5145.0000 -222.99695 -216.81594 6.18101 2.25685 -217.56205 576.57559
5150.0000 -222.64114 -216.46841 6.17272 2.29536 -216.79451 599.81708
5155.0000 -221.92061 -215.31914 6.60146 2.33908 -215.92297 598.71459
5160.0000 -223.60089 -216.17288 7.42801 2.34812 -215.74271 624.62243
5165.0000 -223.75073 -216.46192 7.28881 2.34474 -215.81011 634.45870
5170.0000 -224.36054 -217.06059 7.29995 2.27568 -217.18666 572.09094
5175.0000 -224.57330 -217.92597 6.64733 2.25068 -217.68510 546.12941
5180.0000 -224.33373 -217.08041 7.25332 2.28754 -216.95028 567.03740
5185.0000 -224.31973 -217.75065 6.56908 2.25771 -217.54498 591.64953
5190.0000 -224.89781 -218.40414 6.49367 2.23964 -217.90516 568.98323
5195.0000 -224.09999 -217.44655 6.65344 2.24219 -217.85439 550.77678
5200.0000 -223.77011 -218.45047 5.31964 2.23656 -217.96652 554.46444
5205.0000 -225.08317 -219.24072 5.84245 2.19426 -218.80967 536.33291
5210.0000 -224.32773 -218.13186 6.19587 2.19722 -218.75072 539.26023
5215.0000 -225.75699 -218.47729 7.27970 2.22414 -218.21406 568.39439
5220.0000 -224.71364 -218.81461 5.89903 2.20267 -218.64209 543.95536
5225.0000 -222.64089 -216.06270 6.57819 2.28876 -216.92603 594.08094
5230.0000 -223.85547 -217.79596 6.05951 2.27991 -217.10246 589.88155
5235.0000 -224.70520 -218.37786 6.32734 2.23961 -217.90580 580.93703
5240.0000 -224.17125 -216.88893 7.28232 2.21352 -218.42579 552.75969
5245.0000 -224.25212 -219.14701 5.10510 2.21186 -218.45894 555.45586
5250.0000 -224.52637 -217.89173 6.63464 2.15646 -219.56324 532.09040
FREEZING PROCESS: loop number 22 T-loop= 539.00000000000000
main_MD> interactions number 22 at Temperature= 539.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98988 -1.25194 -0.58315
force_rgl> df(natom) -1.62555 -2.83139 1.17513
5255.0000 -225.32355 -217.93578 7.38776 2.25351 -217.62872 580.42480
5260.0000 -225.24654 -219.68337 5.56317 2.17547 -219.18422 511.94502
5265.0000 -226.17186 -219.86965 6.30221 2.14438 -219.80398 498.03995
5270.0000 -225.77542 -218.31895 7.45648 2.19801 -218.73493 561.27875
5275.0000 -225.09839 -218.57075 6.52764 2.21546 -218.38709 564.57497
5280.0000 -224.43074 -217.07040 7.36035 2.24146 -217.86883 552.56025
5285.0000 -225.42369 -218.86851 6.55518 2.19944 -218.70653 550.15180
5290.0000 -226.07600 -219.12542 6.95058 2.18725 -218.94947 555.77627
5295.0000 -226.65664 -219.96899 6.68765 2.17839 -219.12602 539.95727
5300.0000 -226.47639 -220.29100 6.18538 2.09056 -220.87682 505.71243
5305.0000 -227.08992 -221.82015 5.26977 2.05921 -221.50189 485.79390
5310.0000 -226.52755 -220.35064 6.17690 2.07813 -221.12460 499.13935
5315.0000 -226.81351 -220.16429 6.64922 2.12735 -220.14344 526.76936
5320.0000 -226.01087 -219.82716 6.18371 2.14539 -219.78396 529.06299
5325.0000 -226.07417 -219.63830 6.43587 2.16196 -219.45359 540.89813
5330.0000 -226.12535 -219.79377 6.33159 2.12226 -220.24495 523.33326
5335.0000 -226.22936 -219.07871 7.15066 2.17491 -219.19543 543.72640
5340.0000 -226.92046 -220.22798 6.69248 2.13716 -219.94787 521.93193
5345.0000 -226.11236 -219.42787 6.68449 2.15688 -219.55477 530.25876
5350.0000 -224.84394 -218.88589 5.95805 2.17096 -219.27428 542.13186
5355.0000 -225.59293 -219.63159 5.96134 2.15551 -219.58221 547.26889
5360.0000 -226.30969 -219.90994 6.39974 2.13149 -220.06102 516.80775
5365.0000 -225.99174 -219.33867 6.65307 2.17383 -219.21703 559.84102
5370.0000 -226.11941 -220.20427 5.91514 2.14518 -219.78802 553.53754
5375.0000 -227.06986 -221.14055 5.92931 2.08777 -220.93255 504.67188
5380.0000 -224.74156 -218.80045 5.94111 2.13571 -219.97690 522.04121
5385.0000 -224.76466 -218.77975 5.98490 2.16347 -219.42345 515.03630
5390.0000 -224.93403 -218.72558 6.20845 2.20931 -218.50970 546.86510
5395.0000 -225.28687 -218.28680 7.00007 2.18514 -218.99155 552.48069
5400.0000 -225.03181 -219.75642 5.27539 2.18127 -219.06873 544.92833
5405.0000 -224.25094 -217.87490 6.37604 2.23839 -217.93011 577.19852
5410.0000 -224.74016 -218.34120 6.39896 2.25838 -217.53165 574.74231
5415.0000 -225.43463 -218.15980 7.27483 2.20033 -218.68881 536.00840
5420.0000 -225.51915 -219.64434 5.87481 2.16363 -219.42038 527.07760
5425.0000 -224.10826 -217.81307 6.29520 2.19641 -218.76681 537.79604
5430.0000 -225.42777 -219.10582 6.32196 2.20990 -218.49789 541.00329
5435.0000 -225.98984 -219.48062 6.50923 2.16040 -219.48469 525.97024
5440.0000 -225.90906 -220.20811 5.70094 2.15454 -219.60143 537.06482
5445.0000 -224.58389 -219.06073 5.52316 2.14635 -219.76477 528.87962
5450.0000 -224.98983 -217.74302 7.24680 2.21511 -218.39416 572.06874
5455.0000 -224.37471 -217.48100 6.89371 2.25111 -217.67640 591.16645
5460.0000 -224.26675 -217.60001 6.66674 2.21458 -218.40476 565.48174
5465.0000 -225.88670 -219.15478 6.73191 2.20247 -218.64607 580.37373
5470.0000 -224.93300 -219.49523 5.43777 2.15673 -219.55778 545.07234
5475.0000 -225.37145 -219.23968 6.13177 2.17204 -219.25259 529.19066
5480.0000 -225.21540 -219.39038 5.82502 2.19392 -218.81660 524.53894
5485.0000 -224.96931 -218.29522 6.67409 2.22017 -218.29332 523.55248
5490.0000 -224.36693 -218.07843 6.28850 2.20037 -218.68796 539.14864
5495.0000 -225.45304 -217.99037 7.46267 2.23454 -218.00683 572.33527
5500.0000 -225.48746 -219.12832 6.35915 2.22170 -218.26270 565.82820
FREEZING PROCESS: loop number 23 T-loop= 514.00000000000000
main_MD> interactions number 23 at Temperature= 514.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39266 -0.99515 -0.31165
force_rgl> df(natom) 1.72434 -0.93381 2.31828
5505.0000 -225.11055 -219.77624 5.33432 2.16746 -219.34393 515.09879
5510.0000 -225.09648 -219.13003 5.96644 2.18229 -219.04832 526.57192
5515.0000 -226.45190 -220.12604 6.32586 2.14009 -219.88964 501.28685
5520.0000 -225.34721 -218.73444 6.61277 2.16594 -219.37434 532.73596
5525.0000 -224.83221 -218.24692 6.58528 2.20431 -218.60941 549.07702
5530.0000 -225.08925 -218.86932 6.21993 2.19215 -218.85170 552.11690
5535.0000 -226.24233 -220.42649 5.81584 2.13106 -220.06962 529.30724
5540.0000 -226.14382 -220.76724 5.37658 2.09313 -220.82567 509.30863
5545.0000 -226.57095 -221.39605 5.17490 2.09153 -220.85764 511.25002
5550.0000 -226.53788 -220.58229 5.95559 2.08453 -220.99700 487.36445
5555.0000 -227.00973 -221.71474 5.29500 2.09830 -220.72257 500.67159
5560.0000 -227.09698 -220.90255 6.19443 2.06935 -221.29968 487.77800
5565.0000 -226.74153 -222.00877 4.73275 2.08536 -220.98054 507.69761
5570.0000 -227.53855 -221.76205 5.77650 2.04107 -221.86347 470.37729
5575.0000 -226.39503 -220.24696 6.14808 2.08080 -221.07154 503.20644
5580.0000 -225.77098 -220.22578 5.54520 2.11651 -220.35956 526.50069
5585.0000 -227.07402 -221.14923 5.92480 2.13131 -220.06455 529.85446
5590.0000 -225.86647 -219.83634 6.03013 2.11181 -220.45321 506.83975
5595.0000 -227.33536 -221.47536 5.86000 2.09706 -220.74724 503.55557
5600.0000 -227.84577 -222.04728 5.79849 2.04161 -221.85257 488.14520
5605.0000 -227.14109 -221.40198 5.73911 2.02672 -222.14947 484.17998
5610.0000 -228.30221 -222.24028 6.06193 2.03274 -222.02941 483.87988
5615.0000 -226.64576 -219.39585 7.24990 2.10739 -220.54146 537.85195
5620.0000 -226.92919 -220.91982 6.00937 2.12332 -220.22391 549.76063
5625.0000 -227.17350 -221.36478 5.80872 2.09927 -220.70317 527.39699
5630.0000 -226.78871 -221.41952 5.36918 2.08955 -220.89704 490.41111
5635.0000 -225.71101 -220.03552 5.67549 2.11808 -220.32833 521.10952
5640.0000 -225.55017 -219.30951 6.24066 2.14390 -219.81368 544.83672
5645.0000 -226.66183 -219.62889 7.03294 2.18205 -219.05321 573.63794
5650.0000 -225.48695 -219.21634 6.27061 2.17426 -219.20837 556.13728
5655.0000 -224.81705 -218.55923 6.25782 2.17401 -219.21343 552.59314
5660.0000 -226.18227 -219.36663 6.81565 2.22167 -218.26334 571.33720
5665.0000 -224.91590 -218.32768 6.58822 2.21397 -218.41679 569.22849
5670.0000 -226.09623 -219.71225 6.38398 2.19095 -218.87580 557.94159
5675.0000 -226.28018 -220.13980 6.14038 2.14689 -219.75406 549.73669
5680.0000 -226.24653 -220.36949 5.87705 2.13713 -219.94863 539.76565
5685.0000 -226.68992 -221.34399 5.34593 2.09884 -220.71193 502.88681
5690.0000 -226.36654 -221.17731 5.18923 2.03571 -221.97028 460.30608
5695.0000 -227.79812 -221.38285 6.41527 2.08365 -221.01472 505.62597
5700.0000 -226.42316 -220.64766 5.77550 2.09643 -220.75988 538.64012
5705.0000 -226.81636 -220.87416 5.94220 2.08522 -220.98337 525.00342
5710.0000 -226.18246 -220.38340 5.79906 2.09579 -220.77261 514.24637
5715.0000 -225.84038 -220.59451 5.24587 2.11021 -220.48524 485.27427
5720.0000 -226.04088 -220.59240 5.44847 2.10950 -220.49941 503.10862
5725.0000 -226.07901 -220.75635 5.32267 2.08675 -220.95282 485.40685
5730.0000 -225.28738 -219.20198 6.08541 2.13307 -220.02953 510.94110
5735.0000 -225.32513 -219.07891 6.24622 2.19576 -218.77980 563.43854
5740.0000 -226.16941 -220.06594 6.10347 2.15304 -219.63133 530.82745
5745.0000 -226.10479 -220.01221 6.09259 2.13091 -220.07250 530.41445
5750.0000 -225.63675 -220.03646 5.60029 2.11304 -220.42885 501.19628
FREEZING PROCESS: loop number 24 T-loop= 489.00000000000000
main_MD> interactions number 24 at Temperature= 489.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.69673 1.52228 0.58171
force_rgl> df(natom) -1.22670 -0.51942 1.07228
5755.0000 -225.64170 -219.92410 5.71761 2.15914 -219.50990 521.02833
5760.0000 -226.40991 -220.36531 6.04461 2.12954 -220.09989 507.12650
5765.0000 -225.13764 -219.49472 5.64292 2.14405 -219.81063 510.36112
5770.0000 -224.97229 -219.23107 5.74122 2.14800 -219.73195 510.54818
5775.0000 -225.45425 -219.67680 5.77745 2.16679 -219.35734 534.08742
5780.0000 -225.50017 -220.30837 5.19180 2.14754 -219.74109 520.91827
5785.0000 -228.08078 -222.34711 5.73367 2.08252 -221.03710 491.30621
5790.0000 -227.71169 -222.48752 5.22416 2.01330 -222.41706 458.18987
5795.0000 -227.92318 -222.34250 5.58068 2.02659 -222.15212 471.99939
5800.0000 -227.08176 -222.56867 4.51310 1.97908 -223.09913 435.47618
5805.0000 -226.88248 -220.78629 6.09619 2.01710 -222.34124 460.66972
5810.0000 -226.99385 -221.33824 5.65561 2.08848 -220.91838 517.25532
5815.0000 -227.34934 -222.13755 5.21179 2.02762 -222.13148 466.38545
5820.0000 -227.79909 -221.74833 6.05077 2.03468 -221.99088 488.40653
5825.0000 -228.11182 -223.53540 4.57641 1.97330 -223.21431 439.72560
5830.0000 -226.65833 -220.89577 5.76257 2.03160 -222.05209 478.20967
5835.0000 -226.32834 -220.81492 5.51342 2.07778 -221.13159 503.05906
5840.0000 -225.30496 -219.69198 5.61297 2.10295 -220.62980 508.36712
5845.0000 -226.09068 -220.60759 5.48309 2.10277 -220.63344 492.78313
5850.0000 -226.28965 -220.89897 5.39067 2.07562 -221.17474 476.17090
5855.0000 -227.28735 -221.77969 5.50767 2.07064 -221.27391 475.72893
5860.0000 -226.25077 -220.74009 5.51069 2.07237 -221.23952 476.58426
5865.0000 -226.66753 -220.90026 5.76727 2.09926 -220.70352 494.48520
5870.0000 -226.74043 -221.31700 5.42343 2.06592 -221.36796 475.24955
5875.0000 -226.02663 -219.90750 6.11913 2.11354 -220.41879 499.50441
5880.0000 -226.20788 -219.70970 6.49818 2.13490 -219.99300 519.30235
5885.0000 -226.62498 -220.60574 6.01924 2.13271 -220.03674 493.34769
5890.0000 -226.01015 -220.80847 5.20168 2.10660 -220.55717 480.41195
5895.0000 -226.24763 -220.26814 5.97949 2.09162 -220.85578 480.79958
5900.0000 -224.27504 -218.85574 5.41929 2.13685 -219.95405 503.28970
5905.0000 -225.76695 -220.46512 5.30183 2.14632 -219.76535 497.43920
5910.0000 -225.56335 -219.54785 6.01550 2.17135 -219.26644 518.03093
5915.0000 -225.56538 -219.37218 6.19320 2.15401 -219.61211 511.87853
5920.0000 -224.87241 -218.77162 6.10079 2.17551 -219.18349 533.66537
5925.0000 -224.77072 -218.23372 6.53700 2.20041 -218.68724 541.73071
5930.0000 -226.32755 -220.17384 6.15371 2.16691 -219.35496 512.27840
5935.0000 -226.14543 -221.13001 5.01542 2.12646 -220.16133 473.24336
5940.0000 -225.18505 -220.36071 4.82434 2.08051 -221.07724 448.83336
5945.0000 -225.06598 -219.85522 5.21076 2.14207 -219.85005 496.34466
5950.0000 -226.29759 -220.49309 5.80450 2.12915 -220.10767 489.20487
5955.0000 -225.76933 -220.71314 5.05619 2.09273 -220.83366 465.10161
5960.0000 -225.60939 -220.62111 4.98828 2.11120 -220.46546 487.38345
5965.0000 -227.45252 -222.36175 5.09077 2.03665 -221.95145 450.72619
5970.0000 -226.63126 -221.77180 4.85946 2.04314 -221.82222 462.05895
5975.0000 -226.43578 -220.78138 5.65440 2.07182 -221.25045 471.66922
5980.0000 -226.28347 -221.05288 5.23059 2.09708 -220.74699 482.91197
5985.0000 -226.81793 -221.12105 5.69688 2.07858 -221.11577 478.80293
5990.0000 -225.54811 -219.35748 6.19063 2.12711 -220.14837 510.51439
5995.0000 -226.01938 -219.83083 6.18854 2.12677 -220.15515 510.46793
6000.0000 -225.70735 -220.30737 5.39998 2.16294 -219.43412 548.79879
FREEZING PROCESS: loop number 25 T-loop= 464.00000000000000
main_MD> interactions number 25 at Temperature= 464.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95885 -1.87395 -1.03452
force_rgl> df(natom) 2.37416 -0.06417 -0.09968
6005.0000 -227.13184 -221.77756 5.35428 2.07731 -221.14094 471.67144
6010.0000 -226.31609 -221.34892 4.96716 2.05242 -221.63712 449.96738
6015.0000 -226.27115 -220.55538 5.71577 2.09184 -220.85144 467.92100
6020.0000 -226.57062 -220.99183 5.57879 2.08131 -221.06130 463.13901
6025.0000 -227.22915 -222.36858 4.86057 2.07766 -221.13402 462.03083
6030.0000 -227.31564 -222.90187 4.41377 2.00813 -222.51998 421.69555
6035.0000 -227.08839 -222.11148 4.97690 2.01715 -222.34016 426.57418
6040.0000 -226.67759 -221.73231 4.94529 2.04140 -221.85682 445.55247
6045.0000 -227.11602 -221.98873 5.12729 2.03911 -221.90240 447.22184
6050.0000 -227.01369 -222.12308 4.89061 2.06460 -221.39438 469.39530
6055.0000 -225.66161 -220.45156 5.21005 2.06949 -221.29682 473.98396
6060.0000 -226.42155 -219.98057 6.44098 2.14220 -219.84748 514.70616
6065.0000 -227.04035 -221.15069 5.88967 2.12249 -220.24034 499.02873
6070.0000 -226.95182 -221.08559 5.86624 2.09854 -220.71778 484.83442
6075.0000 -227.17669 -221.93920 5.23749 2.04803 -221.72458 458.08094
6080.0000 -226.48801 -221.22920 5.25881 2.04097 -221.86536 453.82005
6085.0000 -226.88044 -221.45120 5.42924 2.05104 -221.66462 457.12749
6090.0000 -226.69036 -220.34645 6.34391 2.09898 -220.70907 492.94176
6095.0000 -226.49107 -220.82006 5.67101 2.09871 -220.71434 484.44917
6100.0000 -227.04240 -220.84043 6.20197 2.08806 -220.92666 486.21249
6105.0000 -226.59920 -221.61725 4.98195 2.06088 -221.46858 471.82422
6110.0000 -227.84510 -222.88859 4.95650 2.00897 -222.50337 443.91248
6115.0000 -228.23349 -222.81132 5.42217 1.98013 -223.07825 424.25916
6120.0000 -227.95544 -222.54524 5.41020 2.01465 -222.39013 454.53576
6125.0000 -228.13549 -222.27107 5.86442 2.00161 -222.64992 445.04680
6130.0000 -227.60690 -222.80644 4.80046 1.99402 -222.80139 442.08200
6135.0000 -228.08189 -223.09576 4.98613 2.01245 -222.43399 450.89272
6140.0000 -228.06257 -222.53466 5.52790 1.99352 -222.81128 429.94371
6145.0000 -227.03085 -221.29022 5.74063 2.03081 -222.06799 473.04942
6150.0000 -227.70856 -221.84021 5.86835 2.04350 -221.81503 488.25899
6155.0000 -227.53453 -222.69141 4.84311 2.00875 -222.50767 439.10673
6160.0000 -227.24016 -221.52188 5.71828 2.01888 -222.30565 444.22386
6165.0000 -228.26981 -222.44568 5.82413 2.05250 -221.63554 495.85616
6170.0000 -227.07118 -222.16198 4.90919 2.02676 -222.14876 475.93473
6175.0000 -226.86883 -221.99071 4.87811 2.02425 -222.19876 479.26982
6180.0000 -226.80478 -221.61556 5.18921 2.04148 -221.85519 482.86563
6185.0000 -227.30262 -222.24754 5.05508 2.01797 -222.32389 468.04104
6190.0000 -228.03650 -223.64945 4.38704 2.00079 -222.66645 456.58408
6195.0000 -228.54347 -223.11843 5.42504 1.95402 -223.59864 421.68842
6200.0000 -227.17481 -222.11692 5.05789 2.00647 -222.55316 457.37629
6205.0000 -227.68656 -221.60343 6.08313 2.02178 -222.24790 475.67457
6210.0000 -227.15448 -221.57999 5.57449 2.05023 -221.68074 488.14611
6215.0000 -227.29738 -221.99696 5.30041 2.02240 -222.23550 468.78615
6220.0000 -227.97229 -221.94747 6.02482 2.03044 -222.07531 475.83173
6225.0000 -226.98284 -221.93417 5.04866 2.02878 -222.10848 477.83375
6230.0000 -227.21410 -221.70691 5.50719 2.02982 -222.08765 480.31062
6235.0000 -227.56031 -222.15087 5.40944 2.03283 -222.02770 481.72761
6240.0000 -226.89764 -220.92865 5.96899 2.02760 -222.13199 469.30376
6245.0000 -227.15186 -221.15551 5.99635 2.07300 -221.22685 507.99174
6250.0000 -228.17195 -222.11724 6.05471 2.04687 -221.74777 487.28024
FREEZING PROCESS: loop number 26 T-loop= 439.00000000000000
main_MD> interactions number 26 at Temperature= 439.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18010 -2.34047 0.36795
force_rgl> df(natom) -0.35347 -0.98925 -0.02391
6255.0000 -227.47879 -222.91554 4.56325 2.02585 -222.16688 471.41869
6260.0000 -227.61055 -222.07818 5.53237 2.00917 -222.49933 451.25382
6265.0000 -228.78512 -223.50283 5.28229 1.98401 -223.00081 446.00413
6270.0000 -227.40640 -223.17132 4.23508 1.95700 -223.53924 422.11012
6275.0000 -227.88275 -223.41887 4.46388 1.97580 -223.16454 438.01805
6280.0000 -227.70616 -222.15152 5.55464 1.96992 -223.28162 420.61575
6285.0000 -226.93025 -221.70103 5.22921 2.04896 -221.70607 467.78271
6290.0000 -227.53633 -222.64447 4.89186 2.01988 -222.28584 456.13607
6295.0000 -227.38730 -222.23641 5.15089 2.01175 -222.44793 441.56318
6300.0000 -227.86137 -222.84925 5.01212 2.01598 -222.36348 431.40128
6305.0000 -226.34703 -220.12764 6.21939 2.07274 -221.23215 468.70461
6310.0000 -227.76392 -221.93691 5.82701 2.06712 -221.34415 459.07948
6315.0000 -226.52212 -221.87785 4.64426 2.02135 -222.25659 432.60156
6320.0000 -226.28312 -221.39140 4.89171 2.08123 -221.06277 484.34860
6325.0000 -226.95161 -221.94138 5.01023 2.04430 -221.79906 453.16195
6330.0000 -226.48785 -222.33621 4.15164 2.02664 -222.15110 446.95442
6335.0000 -226.83144 -221.83487 4.99657 2.01846 -222.31409 431.90310
6340.0000 -227.79488 -222.04454 5.75035 2.04718 -221.74172 454.80064
6345.0000 -228.15098 -222.51768 5.63330 2.01040 -222.47480 447.37860
6350.0000 -227.94865 -221.97219 5.97646 2.01189 -222.44508 453.70639
6355.0000 -227.30112 -222.48792 4.81320 2.01502 -222.38273 456.42695
6360.0000 -227.93428 -222.72423 5.21005 2.00009 -222.68027 435.09086
6365.0000 -227.54446 -222.92622 4.61824 1.98783 -222.92475 438.61410
6370.0000 -227.61533 -222.86829 4.74704 2.00070 -222.66815 443.44320
6375.0000 -226.96023 -222.36436 4.59587 2.01576 -222.36785 453.45998
6380.0000 -226.95670 -221.63269 5.32400 2.03784 -221.92779 469.87020
6385.0000 -226.45255 -222.04148 4.41107 2.02633 -222.15722 458.36277
6390.0000 -227.46064 -221.19385 6.26679 2.05007 -221.68396 481.42681
6395.0000 -227.93537 -222.28667 5.64869 2.05739 -221.53817 488.88870
6400.0000 -228.38730 -223.96149 4.42581 2.00027 -222.67670 437.96202
6405.0000 -228.02463 -223.10846 4.91617 1.95295 -223.61990 407.71375
6410.0000 -227.69604 -222.50043 5.19562 1.95449 -223.58938 403.72325
6415.0000 -228.40003 -222.79921 5.60082 2.00552 -222.57205 449.51317
6420.0000 -227.60918 -222.53298 5.07621 2.00274 -222.62750 445.12569
6425.0000 -228.69521 -223.31027 5.38494 1.97598 -223.16092 420.35581
6430.0000 -228.28655 -223.43290 4.85364 1.97618 -223.15702 427.15182
6435.0000 -227.65693 -222.99954 4.65739 1.95533 -223.57253 403.94391
6440.0000 -227.92021 -222.23812 5.68208 2.00568 -222.56881 447.90452
6445.0000 -227.98154 -223.00914 4.97241 1.99971 -222.68785 446.07509
6450.0000 -228.74849 -223.22227 5.52621 1.97864 -223.10786 436.00829
6455.0000 -228.32677 -223.94365 4.38312 1.96482 -223.38343 425.83622
6460.0000 -229.12632 -223.52143 5.60488 1.92859 -224.10558 400.56872
6465.0000 -227.51228 -222.21083 5.30145 1.99063 -222.86879 438.77123
6470.0000 -228.51518 -223.61510 4.90008 1.98410 -222.99912 430.03992
6475.0000 -227.95719 -223.52824 4.42895 1.97387 -223.20302 430.70154
6480.0000 -228.13593 -223.31240 4.82352 1.95317 -223.61567 420.13796
6485.0000 -227.68144 -222.17086 5.51058 1.99062 -222.86908 445.55874
6490.0000 -227.42547 -222.37161 5.05385 2.01593 -222.36454 459.87246
6495.0000 -228.22400 -223.46659 4.75742 1.99198 -222.84189 434.75878
6500.0000 -228.00385 -223.43667 4.56718 1.97161 -223.24807 425.31814
FREEZING PROCESS: loop number 27 T-loop= 414.00000000000000
main_MD> interactions number 27 at Temperature= 414.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.78049 1.69342 -3.33701
force_rgl> df(natom) -1.70470 0.83797 1.53163
6505.0000 -228.43124 -224.56858 3.86266 1.94624 -223.75368 417.39148
6510.0000 -228.99051 -224.69944 4.29107 1.91831 -224.31044 395.19113
6515.0000 -228.70170 -223.73835 4.96335 1.92138 -224.24924 397.14991
6520.0000 -228.22757 -223.66311 4.56447 1.97031 -223.27401 432.95756
6525.0000 -228.69319 -222.55893 6.13425 1.99310 -222.81960 452.97116
6530.0000 -228.16225 -222.62892 5.53333 1.98434 -222.99428 447.20317
6535.0000 -228.09231 -223.50226 4.59004 1.97063 -223.26750 437.42944
6540.0000 -228.44417 -223.89313 4.55104 1.95753 -223.52868 422.88120
6545.0000 -228.88960 -224.89683 3.99277 1.91637 -224.34920 392.43770
6550.0000 -228.60631 -223.75449 4.85182 1.91293 -224.41775 389.36629
6555.0000 -228.46003 -223.66369 4.79634 1.94976 -223.68349 415.65786
6560.0000 -229.16634 -224.88821 4.27813 1.91638 -224.34908 396.97278
6565.0000 -228.73657 -224.01074 4.72583 1.91244 -224.42746 390.06128
6570.0000 -228.84871 -224.45310 4.39562 1.91853 -224.30621 395.72945
6575.0000 -228.61402 -224.27405 4.33997 1.91033 -224.46957 389.96952
6580.0000 -228.47439 -223.89650 4.57789 1.92666 -224.14399 404.76804
6585.0000 -228.69490 -223.76022 4.93467 1.95990 -223.48154 430.89037
6590.0000 -228.50163 -224.14967 4.35196 1.90762 -224.52359 386.12101
6595.0000 -228.91120 -224.39512 4.51608 1.91660 -224.34459 396.73740
6600.0000 -229.17723 -224.83872 4.33851 1.89728 -224.72971 376.52956
6605.0000 -228.56292 -224.20843 4.35449 1.92256 -224.22569 400.79394
6610.0000 -228.02640 -223.52472 4.50168 1.94969 -223.68504 419.71492
6615.0000 -229.05373 -223.48863 5.56509 1.96818 -223.31639 434.10224
6620.0000 -228.47821 -223.66677 4.81144 1.96000 -223.47946 428.24577
6625.0000 -228.61425 -223.63461 4.97963 1.93326 -224.01252 406.61063
6630.0000 -228.46217 -223.88096 4.58121 1.93540 -223.96978 408.19937
6635.0000 -229.07274 -223.41364 5.65910 1.93997 -223.87871 410.26914
6640.0000 -228.91981 -224.08953 4.83028 1.94466 -223.78525 417.45382
6645.0000 -228.96208 -223.97137 4.99071 1.94567 -223.76518 414.99793
6650.0000 -228.49948 -223.36659 5.13288 1.96495 -223.38070 432.64315
6655.0000 -228.53938 -223.75887 4.78051 1.95171 -223.64462 420.81658
6660.0000 -229.05487 -223.75297 5.30190 1.95090 -223.66093 426.53935
6665.0000 -227.84077 -223.32997 4.51080 1.94465 -223.78553 417.84825
6670.0000 -229.06334 -223.66443 5.39891 1.95639 -223.55146 427.80731
6675.0000 -228.39952 -223.63583 4.76369 1.95238 -223.63143 424.17624
6680.0000 -228.18019 -223.63951 4.54068 1.94773 -223.72405 420.73096
6685.0000 -228.35615 -223.46679 4.88937 1.98425 -222.99608 440.66664
6690.0000 -228.20689 -223.90359 4.30330 1.93508 -223.97615 410.69575
6695.0000 -229.22759 -224.86592 4.36167 1.93702 -223.93753 408.57439
6700.0000 -229.45104 -224.37628 5.07476 1.89446 -224.78599 377.80665
6705.0000 -228.11188 -223.43918 4.67270 1.94491 -223.78017 418.04037
6710.0000 -227.79379 -223.30904 4.48475 1.97134 -223.25347 429.73049
6715.0000 -229.23924 -223.87674 5.36250 1.95000 -223.67874 413.14524
6720.0000 -228.01717 -223.34767 4.66949 1.93552 -223.96745 405.90617
6725.0000 -228.53515 -223.45114 5.08401 1.94153 -223.84761 411.83975
6730.0000 -228.93462 -224.40344 4.53118 1.94361 -223.80609 417.98276
6735.0000 -228.79803 -224.70780 4.09023 1.93575 -223.96292 404.41677
6740.0000 -228.22705 -223.26303 4.96401 1.93261 -224.02545 408.49047
6745.0000 -228.80169 -223.31347 5.48823 1.97632 -223.15413 439.48288
6750.0000 -228.63123 -223.97615 4.65508 1.96708 -223.33835 438.19870
FREEZING PROCESS: loop number 28 T-loop= 389.00000000000000
main_MD> interactions number 28 at Temperature= 389.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57862 -0.21237 1.13020
force_rgl> df(natom) 3.53985 1.33470 1.55036
6755.0000 -228.97324 -224.65349 4.31975 1.91426 -224.39124 393.09433
6760.0000 -229.34731 -224.99134 4.35597 1.88198 -225.03462 367.35733
6765.0000 -229.09293 -225.21683 3.87611 1.87215 -225.23062 358.97197
6770.0000 -228.96078 -224.44112 4.51966 1.88124 -225.04954 367.42154
6775.0000 -228.61411 -224.36229 4.25183 1.93632 -223.95144 408.91578
6780.0000 -228.89460 -224.84909 4.04551 1.89638 -224.74763 380.09316
6785.0000 -229.19914 -224.38904 4.81009 1.89381 -224.79894 379.24911
6790.0000 -228.78213 -224.18069 4.60144 1.91560 -224.36458 396.60324
6795.0000 -228.21181 -223.37281 4.83900 1.93513 -223.97517 414.35920
6800.0000 -228.59719 -223.67356 4.92363 1.93554 -223.96711 412.08478
6805.0000 -229.70201 -225.17262 4.52939 1.89597 -224.75589 376.57060
6810.0000 -229.38135 -224.69259 4.68876 1.89951 -224.68533 383.74795
6815.0000 -228.79523 -223.94770 4.84753 1.90639 -224.54812 387.10939
6820.0000 -228.75354 -224.40697 4.34657 1.93213 -224.03498 408.03381
6825.0000 -229.03135 -224.24624 4.78511 1.90633 -224.54932 388.43705
6830.0000 -229.34417 -224.27998 5.06419 1.91669 -224.34275 395.72203
6835.0000 -229.19849 -224.80630 4.39219 1.88622 -224.95017 373.99746
6840.0000 -228.85040 -224.77348 4.07692 1.89057 -224.86354 375.43760
6845.0000 -228.31295 -224.08347 4.22948 1.88804 -224.91394 374.14228
6850.0000 -228.75852 -223.43690 5.32162 1.95362 -223.60666 423.77825
6855.0000 -228.44423 -223.90825 4.53598 1.93502 -223.97742 406.49959
6860.0000 -229.20220 -224.32618 4.87603 1.91984 -224.28006 402.09155
6865.0000 -228.52606 -224.03504 4.49103 1.92407 -224.19561 393.66715
6870.0000 -229.23687 -225.27768 3.95919 1.88949 -224.88502 376.08875
6875.0000 -229.28554 -225.21467 4.07087 1.86058 -225.46122 351.81751
6880.0000 -228.81659 -224.42694 4.38965 1.89498 -224.77549 372.65583
6885.0000 -228.79947 -224.16988 4.62959 1.93615 -223.95491 401.32594
6890.0000 -229.16046 -224.19774 4.96271 1.92496 -224.17803 396.75874
6895.0000 -229.24842 -224.47715 4.77127 1.91291 -224.41820 390.76231
6900.0000 -228.79475 -224.63865 4.15610 1.88426 -224.98917 368.26100
6905.0000 -229.17690 -224.91550 4.26139 1.88705 -224.93369 367.40419
6910.0000 -228.64263 -223.75352 4.88912 1.91670 -224.34267 390.79510
6915.0000 -228.87968 -224.33723 4.54245 1.92778 -224.12165 398.60609
6920.0000 -228.82930 -223.51899 5.31031 1.93132 -224.05123 397.74640
6925.0000 -228.09172 -222.93049 5.16124 1.96506 -223.37850 431.17236
6930.0000 -228.30540 -223.75237 4.55303 1.98224 -223.03614 442.04445
6935.0000 -228.62625 -224.29488 4.33137 1.93694 -223.93921 399.70051
6940.0000 -228.87042 -224.22315 4.64727 1.92177 -224.24158 391.40184
6945.0000 -228.28767 -224.09373 4.19394 1.93192 -224.03930 393.91533
6950.0000 -228.32037 -223.85292 4.46744 1.92891 -224.09927 399.65816
6955.0000 -228.68337 -223.74861 4.93476 1.93202 -224.03720 405.76981
6960.0000 -229.08557 -225.02374 4.06182 1.91910 -224.29485 393.56866
6965.0000 -228.61991 -223.90202 4.71789 1.90724 -224.53110 385.05824
6970.0000 -228.48750 -224.04732 4.44018 1.92254 -224.22615 393.26088
6975.0000 -229.05855 -225.22498 3.83356 1.88198 -225.03478 361.07334
6980.0000 -229.13716 -224.78044 4.35671 1.88600 -224.95460 361.29906
6985.0000 -229.09819 -224.30396 4.79423 1.89421 -224.79083 363.53186
6990.0000 -229.17276 -224.80657 4.36619 1.89633 -224.74861 366.97600
6995.0000 -228.93911 -224.47274 4.46637 1.89948 -224.68591 372.93501
7000.0000 -228.89419 -224.31774 4.57645 1.92419 -224.19327 398.05949
FREEZING PROCESS: loop number 29 T-loop= 364.00000000000000
main_MD> interactions number 29 at Temperature= 364.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23290 -0.35780 3.40605
force_rgl> df(natom) -2.57686 -1.15501 1.55114
7005.0000 -229.71918 -225.43892 4.28026 1.88381 -224.99827 365.16925
7010.0000 -229.92904 -226.28785 3.64120 1.85660 -225.54054 335.90472
7015.0000 -229.16456 -225.56128 3.60328 1.83538 -225.96370 327.11090
7020.0000 -229.63137 -225.38290 4.24848 1.87217 -225.23034 351.42094
7025.0000 -229.31606 -224.46357 4.85250 1.88821 -224.91056 364.46265
7030.0000 -228.48210 -224.36120 4.12090 1.91489 -224.37861 385.80861
7035.0000 -228.60012 -224.65502 3.94510 1.90098 -224.65597 368.61153
7040.0000 -228.97853 -224.39748 4.58105 1.90619 -224.55211 374.02504
7045.0000 -228.01695 -224.39804 3.61891 1.93708 -223.93631 395.59619
7050.0000 -229.44210 -225.65338 3.78872 1.89615 -224.75223 365.25857
7055.0000 -228.92218 -224.70250 4.21968 1.89771 -224.72124 368.82585
7060.0000 -228.98292 -224.44165 4.54128 1.89068 -224.86126 361.08786
7065.0000 -229.43141 -225.26326 4.16815 1.90518 -224.57229 376.36494
7070.0000 -229.62738 -225.95101 3.67637 1.86671 -225.33915 349.03749
7075.0000 -229.41876 -225.07585 4.34291 1.87046 -225.26428 347.59132
7080.0000 -229.46409 -225.36516 4.09892 1.88791 -224.91659 367.71583
7085.0000 -229.19196 -224.68413 4.50783 1.87754 -225.12329 357.45721
7090.0000 -229.08090 -224.84612 4.23479 1.89549 -224.76534 371.36667
7095.0000 -229.56224 -225.49539 4.06685 1.87541 -225.16563 354.77631
7100.0000 -229.51733 -224.93151 4.58581 1.87608 -225.15239 353.01505
7105.0000 -228.90624 -224.21144 4.69480 1.89998 -224.67598 374.57018
7110.0000 -228.92238 -224.77248 4.14990 1.90017 -224.67208 368.12735
7115.0000 -228.50269 -224.03564 4.46705 1.89769 -224.72149 368.60333
7120.0000 -228.04338 -224.14933 3.89405 1.93253 -224.02708 399.21645
7125.0000 -228.51914 -224.41618 4.10296 1.92710 -224.13538 391.13527
7130.0000 -229.30061 -224.97608 4.32453 1.88984 -224.87798 364.66479
7135.0000 -229.26074 -225.09579 4.16495 1.87334 -225.20700 353.10269
7140.0000 -229.81527 -225.84570 3.96957 1.86087 -225.45551 338.36265
7145.0000 -228.96661 -225.18228 3.78432 1.85452 -225.58214 330.51981
7150.0000 -229.42053 -225.88654 3.53399 1.86161 -225.44085 341.83100
7155.0000 -229.49172 -225.27858 4.21314 1.85582 -225.55627 335.38927
7160.0000 -228.59958 -224.86428 3.73531 1.89434 -224.78833 359.54236
7165.0000 -229.91790 -225.88555 4.03234 1.87465 -225.18087 345.88673
7170.0000 -229.00621 -224.85273 4.15347 1.89085 -224.85792 363.00438
7175.0000 -228.57139 -224.46583 4.10556 1.91277 -224.42097 383.04438
7180.0000 -229.41475 -225.43614 3.97861 1.88163 -225.04162 354.88353
7185.0000 -228.79497 -224.20369 4.59128 1.90291 -224.61752 376.01860
7190.0000 -228.95505 -225.00612 3.94893 1.89557 -224.76383 370.35949
7195.0000 -229.23876 -225.17145 4.06731 1.89093 -224.85632 366.77740
7200.0000 -229.23157 -225.15077 4.08080 1.87567 -225.16039 354.15382
7205.0000 -229.44478 -225.34312 4.10166 1.88821 -224.91052 363.19253
7210.0000 -229.10836 -225.15701 3.95135 1.88563 -224.96190 364.12611
7215.0000 -229.79849 -225.25182 4.54667 1.88598 -224.95495 361.45837
7220.0000 -229.34673 -225.54692 3.79981 1.87583 -225.15731 355.53264
7225.0000 -229.54121 -225.09431 4.44690 1.87240 -225.22572 351.68926
7230.0000 -229.63713 -225.21469 4.42244 1.86703 -225.33280 343.54822
7235.0000 -229.45790 -224.74300 4.71490 1.87295 -225.21467 353.02976
7240.0000 -228.72994 -224.87163 3.85831 1.87560 -225.16193 352.49947
7245.0000 -229.44650 -224.98808 4.45842 1.87736 -225.12673 353.98597
7250.0000 -229.51832 -224.92630 4.59202 1.87601 -225.15369 352.40232
FREEZING PROCESS: loop number 30 T-loop= 339.00000000000000
main_MD> interactions number 30 at Temperature= 339.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35374 -1.15626 -1.82262
force_rgl> df(natom) 2.56832 -1.08762 1.13395
7255.0000 -229.07518 -225.15143 3.92375 1.87531 -225.16770 352.45187
7260.0000 -229.05089 -225.05092 3.99997 1.87851 -225.10383 357.16825
7265.0000 -228.74006 -224.86783 3.87224 1.89109 -224.85315 365.06500
7270.0000 -229.48507 -225.41043 4.07465 1.85167 -225.63892 334.65944
7275.0000 -229.78944 -225.46408 4.32537 1.86647 -225.34388 342.93305
7280.0000 -229.10709 -225.32471 3.78238 1.87688 -225.13628 356.02607
7285.0000 -228.92806 -224.83149 4.09657 1.88596 -224.95542 366.34135
7290.0000 -229.34960 -225.47120 3.87840 1.88639 -224.94673 359.67267
7295.0000 -229.85860 -226.23849 3.62010 1.85718 -225.52898 338.76948
7300.0000 -229.46835 -226.25933 3.20903 1.83631 -225.94517 320.80805
7305.0000 -229.56746 -225.15372 4.41374 1.86455 -225.38206 348.93550
7310.0000 -228.97045 -224.83619 4.13427 1.88170 -225.04029 352.68720
7315.0000 -228.95777 -224.04752 4.91025 1.87860 -225.10206 342.10520
7320.0000 -228.57241 -224.62157 3.95084 1.92030 -224.27086 374.90712
7325.0000 -229.26013 -225.63217 3.62796 1.85806 -225.51153 327.67744
7330.0000 -229.52403 -225.49598 4.02805 1.86759 -225.32162 349.26780
7335.0000 -229.52873 -225.36136 4.16738 1.86079 -225.45719 338.03510
7340.0000 -229.56933 -225.44023 4.12910 1.87772 -225.11956 353.50709
7345.0000 -229.13264 -225.29401 3.83863 1.87996 -225.07501 355.31530
7350.0000 -229.39257 -224.95705 4.43551 1.87583 -225.15737 353.88506
7355.0000 -228.83905 -224.37707 4.46198 1.90131 -224.64940 372.81867
7360.0000 -229.42533 -225.78765 3.63768 1.88280 -225.01840 358.82993
7365.0000 -228.92690 -225.68141 3.24549 1.84369 -225.79789 326.44120
7370.0000 -229.65754 -226.40879 3.24875 1.84094 -225.85290 320.16011
7375.0000 -228.60235 -225.15168 3.45066 1.85975 -225.47774 343.34705
7380.0000 -229.33138 -224.75772 4.57366 1.87540 -225.16578 352.01024
7385.0000 -228.45503 -224.56369 3.89134 1.89623 -224.75072 368.35849
7390.0000 -228.45070 -224.48777 3.96294 1.89687 -224.73787 369.17738
7395.0000 -229.31011 -225.57107 3.73904 1.88377 -224.99898 357.82675
7400.0000 -229.74130 -226.18509 3.55621 1.83283 -226.01449 321.76689
7405.0000 -229.50435 -225.49637 4.00798 1.83208 -226.02944 324.70768
7410.0000 -229.75597 -225.30338 4.45259 1.87046 -225.26444 355.61311
7415.0000 -229.76315 -225.64277 4.12039 1.86228 -225.42738 346.29667
7420.0000 -230.22615 -226.41196 3.81419 1.83348 -226.00160 326.69282
7425.0000 -229.40799 -225.89753 3.51046 1.83686 -225.93420 328.62533
7430.0000 -229.37373 -225.33601 4.03772 1.84961 -225.67991 344.22145
7435.0000 -228.92755 -224.91003 4.01752 1.86460 -225.38109 351.78114
7440.0000 -229.20141 -225.15757 4.04384 1.86703 -225.33276 351.98205
7445.0000 -230.23701 -226.53098 3.70603 1.83312 -226.00875 326.49714
7450.0000 -229.25061 -224.87284 4.37777 1.85267 -225.61897 342.08617
7455.0000 -229.11930 -224.41993 4.69937 1.91353 -224.40579 386.40950
7460.0000 -229.37339 -225.56232 3.81107 1.86553 -225.36267 357.02911
7465.0000 -229.36956 -224.88589 4.48367 1.86028 -225.46723 346.85160
7470.0000 -229.67256 -225.73667 3.93589 1.85505 -225.57160 341.87308
7475.0000 -230.38985 -226.67641 3.71344 1.83700 -225.93131 327.97535
7480.0000 -228.93657 -224.81029 4.12628 1.84906 -225.69095 336.60337
7485.0000 -229.21019 -224.57759 4.63260 1.87920 -225.09021 362.25267
7490.0000 -229.56830 -225.35623 4.21206 1.88100 -225.05423 363.74999
7495.0000 -229.59983 -225.89718 3.70265 1.86220 -225.42905 349.67777
7500.0000 -229.05925 -225.16924 3.89001 1.86719 -225.32959 352.87264
FREEZING PROCESS: loop number 31 T-loop= 314.00000000000000
main_MD> interactions number 31 at Temperature= 314.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48910 1.71425 1.44110
force_rgl> df(natom) 4.00820 2.35377 1.19093
7505.0000 -229.70225 -225.91079 3.79145 1.83816 -225.90827 328.58792
7510.0000 -229.96681 -226.56041 3.40640 1.80856 -226.49830 306.42126
7515.0000 -229.46277 -226.55013 2.91264 1.80317 -226.60569 302.96832
7520.0000 -230.25943 -227.21399 3.04544 1.79325 -226.80339 290.08425
7525.0000 -230.23590 -226.99402 3.24188 1.78903 -226.88766 289.66394
7530.0000 -229.62323 -226.29997 3.32326 1.80837 -226.50198 307.60458
7535.0000 -230.09902 -226.67186 3.42716 1.80643 -226.54063 304.57890
7540.0000 -230.37401 -227.26552 3.10849 1.79413 -226.78596 292.68367
7545.0000 -230.21912 -226.39677 3.82235 1.79240 -226.82047 294.84796
7550.0000 -229.33534 -225.99658 3.33876 1.81607 -226.34865 312.10204
7555.0000 -229.87289 -226.07656 3.79632 1.83018 -226.06729 320.57188
7560.0000 -230.51456 -226.22326 4.29130 1.83499 -225.97140 325.58042
7565.0000 -229.29104 -225.91073 3.38031 1.82786 -226.11361 322.35397
7570.0000 -229.45861 -226.04554 3.41307 1.79735 -226.72166 294.04944
7575.0000 -229.56097 -225.94817 3.61280 1.81731 -226.32383 315.36161
7580.0000 -230.13728 -226.29781 3.83946 1.82266 -226.21719 315.34239
7585.0000 -229.38853 -225.78035 3.60818 1.84436 -225.78470 335.61990
7590.0000 -230.47012 -226.32313 4.14699 1.83856 -225.90022 329.68701
7595.0000 -229.78984 -226.14155 3.64829 1.81387 -226.39239 308.84131
7600.0000 -230.37543 -226.18618 4.18925 1.83089 -226.05314 323.98726
7605.0000 -230.13005 -226.62754 3.50251 1.80718 -226.52582 303.27376
7610.0000 -230.16576 -226.75199 3.41377 1.79356 -226.79729 293.79275
7615.0000 -229.60806 -226.01132 3.59674 1.81634 -226.34314 314.44382
7620.0000 -229.87425 -226.24813 3.62612 1.83662 -225.93900 326.38969
7625.0000 -229.95887 -226.26764 3.69123 1.81381 -226.39367 309.46403
7630.0000 -230.16326 -226.92100 3.24227 1.81163 -226.43701 306.29358
7635.0000 -230.27861 -226.51580 3.76281 1.79904 -226.68809 297.71858
7640.0000 -229.75179 -226.10670 3.64509 1.82451 -226.18035 317.93276
7645.0000 -230.01687 -226.12644 3.89044 1.83101 -226.05080 324.61442
7650.0000 -230.06538 -226.16241 3.90297 1.80985 -226.47259 306.41704
7655.0000 -229.45557 -225.80068 3.65489 1.84864 -225.69923 336.64306
7660.0000 -230.09783 -226.66209 3.43574 1.82054 -226.25949 318.94578
7665.0000 -229.74465 -226.13814 3.60651 1.83189 -226.03317 325.02895
7670.0000 -230.60231 -227.71168 2.89063 1.78835 -226.90119 290.31576
7675.0000 -230.02907 -226.74114 3.28793 1.77771 -227.11321 280.72089
7680.0000 -230.00425 -226.46246 3.54179 1.80414 -226.58637 300.30201
7685.0000 -229.87127 -226.47984 3.39142 1.81102 -226.44932 305.79892
7690.0000 -230.35067 -226.51993 3.83075 1.80875 -226.49440 305.57289
7695.0000 -230.38921 -226.76107 3.62814 1.80402 -226.58881 301.89451
7700.0000 -229.15479 -225.73044 3.42435 1.80941 -226.48125 306.24972
7705.0000 -229.64680 -225.96892 3.67788 1.84650 -225.74205 333.67019
7710.0000 -229.93419 -226.24980 3.68438 1.84792 -225.71374 335.39865
7715.0000 -230.56672 -226.53445 4.03227 1.79334 -226.80173 292.93384
7720.0000 -230.53055 -227.14246 3.38809 1.79855 -226.69779 299.61769
7725.0000 -230.13611 -226.77808 3.35803 1.79417 -226.78510 296.36590
7730.0000 -230.16284 -225.98860 4.17424 1.82228 -226.22483 317.21463
7735.0000 -229.80475 -226.01772 3.78703 1.82486 -226.17340 319.44881
7740.0000 -229.99202 -226.35203 3.63999 1.80629 -226.54349 302.68156
7745.0000 -230.49352 -226.82024 3.67328 1.81060 -226.45756 306.19271
7750.0000 -229.89844 -226.53980 3.35864 1.81347 -226.40039 308.59980
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 16 [min], 44.7563915 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink