tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_97/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_97.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 = 97 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: 97 9700
main_MD> Size of nv and nvoiz: 97 9700
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 = 97
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> 0.13790123080550035 6.4700624354010625E-002 -5.2236995411045588E-002 initial drift of cluster / NP1 for coalescence
init> 0.31613053680251119 0.32962506598113844 0.30083539636854012 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5414169450628009E-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) -0.25686 1.68429 -1.38660
force_rgl> df(natom) -4.29731 -5.59760 1.99295
preparo> THERMALIZATION PROCESS AT 1090.6104627175309
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -218.61335569315943 13.775071784351571 -232.38842747751102 6.7141687792614648E-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= 1063.0000000000000
main_MD> interactions number 1 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48382 0.67071 -0.59644
force_rgl> df(natom) 3.12792 0.82420 2.10645
5.0000 -235.36123 -222.16799 13.19323 3.08531 -221.01524 1060.59927
10.0000 -234.23394 -220.99634 13.23760 3.04866 -221.78899 1009.32791
15.0000 -232.03699 -217.44172 14.59526 3.19241 -218.75410 1088.76371
20.0000 -229.96172 -215.48080 14.48092 3.24541 -217.63524 1141.25450
25.0000 -231.51227 -216.51849 14.99378 3.34242 -215.58725 1193.19818
30.0000 -230.54218 -216.37085 14.17133 3.30738 -216.32704 1175.69494
35.0000 -233.71932 -220.21724 13.50208 3.26433 -217.23573 1149.80810
40.0000 -235.32994 -220.95129 14.37865 3.08096 -221.10693 1063.95251
45.0000 -232.78013 -219.05654 13.72359 3.13904 -219.88092 1083.19543
50.0000 -233.27931 -219.99462 13.28469 3.18361 -218.93985 1106.14332
55.0000 -231.59945 -218.42699 13.17246 3.17125 -219.20093 1096.73937
60.0000 -234.76369 -218.99374 15.76996 3.17105 -219.20517 1090.22676
65.0000 -232.64334 -219.83081 12.81253 3.18743 -218.85936 1100.35597
70.0000 -233.08209 -219.60363 13.47846 3.10993 -220.49549 1051.48847
75.0000 -235.59685 -219.07906 16.51779 3.15196 -219.60819 1099.07875
80.0000 -235.51063 -222.12749 13.38313 3.10333 -220.63482 1064.53377
85.0000 -234.24669 -219.19263 15.05406 3.05679 -221.61727 1037.53234
90.0000 -233.60137 -219.50085 14.10052 3.15774 -219.48617 1082.10900
95.0000 -235.71769 -219.61518 16.10251 3.15871 -219.46562 1078.07389
100.0000 -232.79030 -220.30280 12.48750 3.11294 -220.43193 1059.83933
105.0000 -233.04637 -218.89365 14.15271 3.14874 -219.67616 1084.21552
110.0000 -232.14025 -220.38118 11.75908 3.10256 -220.65110 1047.23086
115.0000 -233.67293 -221.49090 12.18203 3.10663 -220.56517 1040.83897
120.0000 -236.06065 -222.82982 13.23083 3.04167 -221.93651 1024.60756
125.0000 -234.83364 -221.39433 13.43931 3.02215 -222.34865 995.90030
130.0000 -235.47831 -221.10865 14.36967 3.06340 -221.47770 1049.33071
135.0000 -234.41302 -220.79883 13.61420 3.15380 -219.56924 1082.30242
140.0000 -233.93232 -219.21294 14.71938 3.18797 -218.84792 1096.75496
145.0000 -233.34248 -220.90114 12.44134 3.09645 -220.78005 1067.87962
150.0000 -233.84171 -219.68151 14.16020 3.13378 -219.99198 1044.68509
155.0000 -232.30894 -219.28949 13.01944 3.18069 -219.00147 1095.86870
160.0000 -233.43218 -218.66578 14.76641 3.16414 -219.35086 1093.33702
165.0000 -232.75060 -218.61409 14.13651 3.18662 -218.87640 1105.81209
170.0000 -234.96279 -220.52455 14.43823 3.16190 -219.39823 1080.53810
175.0000 -233.72634 -220.88346 12.84287 3.12795 -220.11494 1085.15335
180.0000 -232.92285 -219.93804 12.98481 3.07393 -221.25536 1030.48731
185.0000 -235.20062 -224.92306 10.27756 3.03883 -221.99636 1021.17956
190.0000 -237.56652 -223.88463 13.68190 2.98161 -223.20433 967.17893
195.0000 -232.53424 -219.77986 12.75438 3.03039 -222.17455 1022.32969
200.0000 -233.66764 -219.81055 13.85709 3.09455 -220.82014 1051.10613
205.0000 -232.74750 -218.79264 13.95486 3.16472 -219.33866 1085.96560
210.0000 -229.93549 -216.98739 12.94811 3.21338 -218.31141 1117.68948
215.0000 -231.41266 -217.38519 14.02747 3.21570 -218.26240 1139.90172
220.0000 -234.42106 -221.83151 12.58955 3.17433 -219.13581 1129.88209
225.0000 -234.07205 -220.69874 13.37331 3.04434 -221.88016 1031.51417
230.0000 -231.83756 -218.28424 13.55332 3.12325 -220.21413 1060.45690
235.0000 -233.35253 -218.99724 14.35529 3.23891 -217.77255 1137.32201
240.0000 -233.61639 -221.64296 11.97343 3.11381 -220.41358 1057.08769
245.0000 -234.39818 -219.57146 14.82672 3.06910 -221.35744 1034.34492
250.0000 -235.16822 -223.22304 11.94518 3.03033 -222.17581 978.74989
FREEZING PROCESS: loop number 2 T-loop= 1038.0000000000000
main_MD> interactions number 2 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76646 0.21044 -1.07768
force_rgl> df(natom) 2.95831 -0.51656 5.53974
255.0000 -234.10444 -219.81508 14.28936 3.04624 -221.84006 1032.15511
260.0000 -232.06749 -218.28790 13.77959 3.12725 -220.12986 1080.21241
265.0000 -234.77214 -218.92501 15.84714 3.16864 -219.25589 1121.19459
270.0000 -233.48670 -220.04713 13.43957 3.12964 -220.07938 1099.80765
275.0000 -233.88969 -220.30666 13.58303 3.08433 -221.03582 1064.34925
280.0000 -233.98050 -222.99235 10.98815 3.01590 -222.48047 1014.34676
285.0000 -234.75573 -219.63513 15.12059 3.06069 -221.53494 1051.99252
290.0000 -233.88751 -220.48788 13.39963 3.15875 -219.46467 1092.97604
295.0000 -233.63851 -222.24319 11.39532 3.07310 -221.27286 1036.31459
300.0000 -234.58089 -220.93711 13.64378 3.01173 -222.56849 1005.96033
305.0000 -235.18536 -220.64716 14.53820 3.08127 -221.10042 1019.52246
310.0000 -236.27592 -222.27607 13.99985 3.04323 -221.90352 1030.62549
315.0000 -235.07187 -220.40221 14.66966 3.03199 -222.14085 1023.82660
320.0000 -233.70382 -219.75614 13.94768 3.13775 -219.90807 1077.60144
325.0000 -233.79370 -218.92444 14.86927 3.13762 -219.91085 1038.71892
330.0000 -233.28645 -219.99633 13.29012 3.13256 -220.01760 1076.68132
335.0000 -231.67964 -217.49654 14.18310 3.16689 -219.29287 1101.60462
340.0000 -233.08911 -220.34563 12.74348 3.18829 -218.84116 1116.81235
345.0000 -233.93984 -219.24370 14.69614 3.09957 -220.71403 1062.61663
350.0000 -233.75034 -220.19760 13.55274 3.14287 -219.80001 1071.92916
355.0000 -235.50835 -221.30555 14.20280 3.11598 -220.36764 1064.45522
360.0000 -234.89591 -220.99829 13.89762 3.07445 -221.24434 1030.83966
365.0000 -233.40239 -220.95766 12.44473 3.04536 -221.85864 1017.25759
370.0000 -233.86706 -220.72585 13.14121 3.09034 -220.90897 1054.31522
375.0000 -235.83846 -222.13264 13.70582 3.06799 -221.38079 1012.37164
380.0000 -235.24454 -224.39068 10.85386 3.00209 -222.77215 983.80251
385.0000 -236.11397 -223.33943 12.77455 2.99890 -222.83943 983.66953
390.0000 -232.79346 -217.89034 14.90311 3.11569 -220.37374 1072.08298
395.0000 -232.35298 -219.15408 13.19890 3.24593 -217.62419 1134.41851
400.0000 -232.12254 -217.32171 14.80083 3.17853 -219.04728 1128.45659
405.0000 -232.56797 -220.53490 12.03307 3.17354 -219.15245 1107.64071
410.0000 -233.84909 -220.84999 12.99911 3.11135 -220.46533 1053.67510
415.0000 -235.00186 -221.96305 13.03881 3.10809 -220.53422 1080.31504
420.0000 -234.59588 -222.72883 11.86705 3.01768 -222.44283 1015.29676
425.0000 -233.25940 -220.57554 12.68386 3.07845 -221.16003 1042.31409
430.0000 -234.26157 -220.20806 14.05351 3.10575 -220.58363 1047.53714
435.0000 -231.63491 -217.47221 14.16270 3.17938 -219.02930 1108.05098
440.0000 -233.14903 -220.97103 12.17799 3.17484 -219.12502 1081.90305
445.0000 -233.67999 -218.99330 14.68669 3.17125 -219.20096 1114.46597
450.0000 -233.89100 -218.70821 15.18280 3.22328 -218.10255 1117.20569
455.0000 -233.96182 -220.94716 13.01466 3.14870 -219.67700 1098.05456
460.0000 -233.19503 -219.40307 13.79196 3.12195 -220.24164 1087.48762
465.0000 -230.30214 -218.56125 11.74089 3.20944 -218.39453 1084.83391
470.0000 -231.07775 -218.06971 13.00804 3.19366 -218.72781 1107.57912
475.0000 -233.02991 -219.12144 13.90847 3.22325 -218.10318 1119.27512
480.0000 -233.33413 -219.48008 13.85406 3.18906 -218.82481 1122.07156
485.0000 -234.17680 -221.61924 12.55756 3.11476 -220.39351 1044.03166
490.0000 -235.26416 -221.80264 13.46151 3.04765 -221.81026 1009.41843
495.0000 -231.93182 -218.76070 13.17112 3.05556 -221.64328 1047.35568
500.0000 -234.78061 -222.49857 12.28204 3.09296 -220.85369 1050.87432
FREEZING PROCESS: loop number 3 T-loop= 1013.0000000000000
main_MD> interactions number 3 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10634 1.98955 7.64328
force_rgl> df(natom) 4.13107 2.21223 -2.96596
505.0000 -235.78159 -224.40372 11.37787 2.91795 -224.54829 939.24360
510.0000 -235.72513 -223.31546 12.40966 2.98343 -223.16591 971.94248
515.0000 -233.23155 -223.05725 10.17430 3.00191 -222.77577 987.40394
520.0000 -235.61616 -222.16722 13.44894 3.00791 -222.64926 1002.47269
525.0000 -236.13775 -222.42303 13.71472 3.04057 -221.95966 1055.99821
530.0000 -235.20854 -221.31690 13.89164 3.06275 -221.49138 1022.04396
535.0000 -234.86945 -222.22817 12.64129 3.02918 -222.20012 1016.84617
540.0000 -234.00023 -221.84504 12.15519 3.03208 -222.13893 1017.98259
545.0000 -234.53034 -221.95338 12.57695 3.02849 -222.21468 1022.88027
550.0000 -235.27041 -223.43816 11.83225 2.98110 -223.21522 968.38573
555.0000 -236.99946 -224.89578 12.10368 2.93161 -224.25992 955.61807
560.0000 -235.55244 -221.50868 14.04376 3.03361 -222.10662 1015.30799
565.0000 -236.34963 -222.91052 13.43911 2.98972 -223.03328 1015.15263
570.0000 -235.86853 -222.06223 13.80630 3.03071 -222.16788 1011.84482
575.0000 -234.52975 -221.63171 12.89803 3.03624 -222.05117 1038.59207
580.0000 -234.33942 -223.69076 10.64867 2.97762 -223.28866 968.39178
585.0000 -235.62815 -223.08098 12.54717 3.01936 -222.40747 1014.55685
590.0000 -233.63274 -220.43585 13.19689 3.07551 -221.22210 1026.04074
595.0000 -232.59613 -220.11856 12.47758 3.14379 -219.78058 1094.58562
600.0000 -232.22436 -220.61469 11.60967 3.14872 -219.67651 1055.17271
605.0000 -234.08802 -220.20159 13.88643 3.13493 -219.96771 1057.94557
610.0000 -232.84048 -219.19037 13.65011 3.14003 -219.85995 1086.39820
615.0000 -236.62621 -223.86653 12.75968 3.01332 -222.53497 987.43559
620.0000 -233.52214 -219.45934 14.06280 3.11781 -220.32904 1087.23122
625.0000 -233.82357 -221.91369 11.90988 3.11070 -220.47905 1053.79832
630.0000 -235.64467 -222.18892 13.45574 3.01749 -222.44691 1018.11239
635.0000 -234.63964 -222.68865 11.95099 2.95750 -223.71344 961.44748
640.0000 -234.69380 -219.79108 14.90272 3.12104 -220.26096 1064.19725
645.0000 -235.65749 -224.20418 11.45331 3.04281 -221.91250 1024.88832
650.0000 -236.76237 -224.31602 12.44634 3.01425 -222.51528 1010.90350
655.0000 -232.65897 -219.62182 13.03714 2.98134 -223.21021 976.34535
660.0000 -234.02288 -220.15232 13.87056 3.11541 -220.37971 1064.15825
665.0000 -235.90718 -222.21628 13.69089 3.09325 -220.84748 1059.84452
670.0000 -234.08130 -221.07620 13.00510 3.05167 -221.72543 1019.64121
675.0000 -231.95933 -219.06216 12.89717 3.06020 -221.54518 988.29167
680.0000 -234.91317 -220.38314 14.53003 3.12246 -220.23092 1046.41234
685.0000 -234.22352 -220.42822 13.79530 3.10947 -220.50508 1057.51929
690.0000 -236.57458 -222.87358 13.70100 3.04681 -221.82796 1033.77995
695.0000 -235.67260 -223.14176 12.53084 2.99359 -222.95155 1022.66841
700.0000 -234.92724 -221.94689 12.98035 3.04816 -221.79946 1039.74908
705.0000 -236.96897 -224.09879 12.87018 2.99193 -222.98647 1023.94897
710.0000 -236.80724 -223.44094 13.36630 2.97699 -223.30195 993.54984
715.0000 -234.95113 -223.22058 11.73055 2.98920 -223.04423 986.30599
720.0000 -234.61038 -221.35489 13.25549 3.02739 -222.23803 973.67663
725.0000 -235.12272 -222.11139 13.01133 3.07665 -221.19798 1060.40698
730.0000 -233.49879 -221.50924 11.98955 3.05005 -221.75959 1003.53344
735.0000 -237.07660 -224.02243 13.05417 3.05841 -221.58307 1022.88781
740.0000 -236.98338 -225.22487 11.75850 2.90985 -224.71933 954.50513
745.0000 -237.19955 -227.45603 9.74352 2.84557 -226.07643 910.88864
750.0000 -237.18443 -225.21780 11.96662 2.85824 -225.80886 886.69473
FREEZING PROCESS: loop number 4 T-loop= 988.00000000000000
main_MD> interactions number 4 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.74619 -1.23887 -0.59606
force_rgl> df(natom) 0.18280 -1.19664 1.31563
755.0000 -235.13748 -223.09089 12.04658 2.96189 -223.62064 941.03867
760.0000 -234.47879 -223.31080 11.16799 2.99724 -222.87454 979.92471
765.0000 -233.97885 -221.83202 12.14684 2.97724 -223.29672 988.04026
770.0000 -234.52118 -223.24792 11.27326 3.04016 -221.96825 1000.52810
775.0000 -233.73322 -219.25331 14.47991 3.05837 -221.58392 1031.16361
780.0000 -234.31712 -221.77703 12.54009 3.13074 -220.05616 1058.47834
785.0000 -236.38610 -222.83979 13.54631 2.96583 -223.53751 998.04977
790.0000 -236.05885 -224.20253 11.85632 3.01778 -222.44089 997.37388
795.0000 -234.11397 -221.06079 13.05318 2.99253 -222.97397 1007.12287
800.0000 -234.54217 -222.00310 12.53907 3.00785 -222.65041 987.02654
805.0000 -233.95679 -221.63206 12.32473 3.05731 -221.60631 1029.74454
810.0000 -234.53690 -220.95623 13.58066 3.07429 -221.24789 1050.00258
815.0000 -234.16023 -221.96104 12.19919 3.13155 -220.03905 1061.88669
820.0000 -234.60180 -221.81150 12.79030 3.06783 -221.38413 1028.19407
825.0000 -235.11530 -223.16610 11.94919 2.99433 -222.93580 979.12568
830.0000 -236.01088 -223.67253 12.33835 3.01214 -222.55997 987.06450
835.0000 -235.64638 -225.37224 10.27415 2.92799 -224.33634 943.84619
840.0000 -236.78882 -225.34503 11.44378 2.82093 -226.59658 875.79904
845.0000 -236.58120 -222.24550 14.33570 2.95577 -223.74995 979.54007
850.0000 -235.49052 -223.24896 12.24156 2.93073 -224.27865 938.71169
855.0000 -237.17896 -223.45591 13.72305 2.96267 -223.60427 926.60284
860.0000 -235.86759 -222.03022 13.83738 3.00872 -222.63212 988.18089
865.0000 -234.69308 -221.93598 12.75710 3.00119 -222.79113 983.59907
870.0000 -237.62017 -222.78271 14.83746 3.01078 -222.58858 982.24328
875.0000 -235.50249 -224.19398 11.30852 2.99147 -222.99620 998.95912
880.0000 -232.91932 -221.70444 11.21488 3.00827 -222.64168 998.68857
885.0000 -233.39507 -220.94224 12.45283 3.04481 -221.87022 1002.53062
890.0000 -234.41291 -220.34178 14.07113 3.09748 -220.75829 1050.07699
895.0000 -232.77265 -219.64824 13.12441 3.16881 -219.25229 1086.54306
900.0000 -236.65895 -221.69879 14.96016 3.08818 -220.95457 1043.69594
905.0000 -236.10247 -223.01680 13.08567 3.01132 -222.57721 996.79026
910.0000 -236.63021 -225.43010 11.20012 2.97159 -223.41602 967.09407
915.0000 -235.90628 -223.78322 12.12306 2.90120 -224.90200 954.48413
920.0000 -236.23826 -223.63041 12.60785 2.92498 -224.39993 951.73397
925.0000 -237.20514 -225.50108 11.70407 2.93566 -224.17449 964.56769
930.0000 -237.17550 -225.25839 11.91711 2.91234 -224.66684 927.78312
935.0000 -236.19149 -224.00824 12.18325 2.92007 -224.50367 960.78011
940.0000 -236.17664 -224.09148 12.08516 2.86591 -225.64703 924.12352
945.0000 -236.48819 -224.58612 11.90207 2.89284 -225.07852 919.69157
950.0000 -237.15070 -225.40108 11.74961 2.88653 -225.21175 923.61797
955.0000 -236.93493 -225.04801 11.88692 2.89674 -224.99614 953.39676
960.0000 -234.65291 -222.54949 12.10342 2.93515 -224.18519 963.10682
965.0000 -236.33872 -224.67905 11.65967 2.93506 -224.18708 924.36840
970.0000 -235.59771 -224.04778 11.54992 2.97014 -223.44658 993.65434
975.0000 -236.17172 -223.04231 13.12941 2.96311 -223.59499 961.84655
980.0000 -235.28016 -220.01752 15.26265 3.03849 -222.00356 1022.91269
985.0000 -236.46762 -224.20545 12.26218 3.02293 -222.33208 1010.16698
990.0000 -234.59185 -221.80112 12.79074 2.96298 -223.59764 1001.68733
995.0000 -236.54217 -224.74208 11.80009 2.98841 -223.06075 978.91666
1000.0000 -234.93178 -224.44736 10.48442 2.90435 -224.83538 937.80290
FREEZING PROCESS: loop number 5 T-loop= 963.00000000000000
main_MD> interactions number 5 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.80446 -0.52372 1.46171
force_rgl> df(natom) 1.53940 -0.36499 -1.98193
1005.0000 -234.26509 -221.62559 12.63950 2.94730 -223.92868 977.33741
1010.0000 -234.36744 -222.44273 11.92471 3.00271 -222.75894 995.30769
1015.0000 -235.63606 -223.20264 12.43342 2.99070 -223.01249 970.87244
1020.0000 -235.13770 -220.22358 14.91412 3.04927 -221.77600 1017.72180
1025.0000 -234.13504 -221.23738 12.89766 3.08707 -220.97792 1036.47159
1030.0000 -235.35511 -222.28678 13.06832 3.02115 -222.36964 990.00612
1035.0000 -235.89355 -224.52464 11.36891 2.96666 -223.51992 972.13214
1040.0000 -239.09992 -227.21710 11.88283 2.82817 -226.44376 910.42163
1045.0000 -237.89332 -225.68235 12.21097 2.85189 -225.94295 933.46308
1050.0000 -237.13783 -226.75965 10.37817 2.85281 -225.92348 915.26993
1055.0000 -237.81827 -226.52209 11.29618 2.79727 -227.09613 877.44123
1060.0000 -237.69225 -226.17884 11.51342 2.84064 -226.18038 905.65754
1065.0000 -235.22272 -223.62796 11.59475 2.92071 -224.49002 941.94849
1070.0000 -234.30204 -222.02278 12.27927 2.94986 -223.87460 977.12686
1075.0000 -237.27567 -224.69816 12.57750 3.00608 -222.68784 991.20328
1080.0000 -236.91750 -223.17057 13.74693 2.91503 -224.61010 938.79798
1085.0000 -233.84531 -220.06581 13.77950 3.09250 -220.86345 1070.17836
1090.0000 -233.76858 -221.53643 12.23215 3.07383 -221.25761 1012.91472
1095.0000 -234.24728 -221.78007 12.46721 3.03809 -222.01205 991.07314
1100.0000 -235.52017 -222.21843 13.30174 2.97645 -223.31344 980.20075
1105.0000 -234.44649 -221.24245 13.20404 3.04047 -221.96171 1010.32742
1110.0000 -234.65633 -222.95242 11.70391 2.97770 -223.28697 978.33059
1115.0000 -234.40013 -224.08651 10.31363 2.97122 -223.42370 984.02693
1120.0000 -237.52515 -225.65818 11.86697 2.90673 -224.78512 920.37147
1125.0000 -237.92551 -227.17351 10.75201 2.83472 -226.30548 900.60048
1130.0000 -236.17569 -224.73014 11.44554 2.84374 -226.11503 909.89626
1135.0000 -239.35095 -226.86033 12.49062 2.84383 -226.11319 895.81298
1140.0000 -238.60430 -228.67224 9.93206 2.76102 -227.86125 845.35908
1145.0000 -237.24439 -227.28635 9.95804 2.77582 -227.54893 866.53123
1150.0000 -235.85024 -224.69321 11.15704 2.85696 -225.83597 888.96184
1155.0000 -237.06616 -223.88364 13.18252 2.94268 -224.02633 952.77876
1160.0000 -236.47973 -223.98187 12.49785 2.94323 -224.01472 956.84704
1165.0000 -237.39270 -225.64004 11.75266 2.92282 -224.44564 958.23045
1170.0000 -236.63786 -224.46580 12.17206 2.84208 -226.14999 886.73873
1175.0000 -235.07929 -225.03816 10.04113 2.89458 -225.04173 932.29187
1180.0000 -237.59360 -226.79417 10.79943 2.84132 -226.16604 909.38004
1185.0000 -238.41489 -227.50258 10.91232 2.75435 -228.00223 854.83938
1190.0000 -236.59646 -225.55384 11.04262 2.82791 -226.44913 893.91780
1195.0000 -235.97522 -222.90487 13.07035 2.90131 -224.89969 961.08934
1200.0000 -235.44195 -224.12608 11.31587 2.93880 -224.10819 949.42627
1205.0000 -236.76279 -224.86913 11.89366 2.96101 -223.63927 980.52693
1210.0000 -234.51679 -221.90120 12.61559 3.00060 -222.80356 993.98167
1215.0000 -234.58665 -223.10579 11.48086 2.98614 -223.10873 1011.27565
1220.0000 -234.75526 -221.56517 13.19009 3.01037 -222.59723 975.86070
1225.0000 -234.53909 -220.71299 13.82610 3.03466 -222.08449 1007.18299
1230.0000 -235.51326 -223.44639 12.06686 3.01700 -222.45735 989.10604
1235.0000 -235.68280 -223.18684 12.49596 2.97238 -223.39931 962.57618
1240.0000 -237.90105 -225.24585 12.65520 2.91034 -224.70899 972.36728
1245.0000 -237.52583 -225.34533 12.18050 2.91971 -224.51126 972.24309
1250.0000 -237.72977 -225.89956 11.83022 2.91035 -224.70870 944.48028
FREEZING PROCESS: loop number 6 T-loop= 938.00000000000000
main_MD> interactions number 6 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37075 0.18057 0.37513
force_rgl> df(natom) -0.07537 -0.66819 -1.00210
1255.0000 -236.67352 -224.13455 12.53898 2.91826 -224.54175 961.69476
1260.0000 -237.99890 -226.08399 11.91491 2.84310 -226.12848 894.34029
1265.0000 -238.11272 -227.17512 10.93760 2.82317 -226.54920 898.93443
1270.0000 -237.00835 -226.18581 10.82253 2.83847 -226.22634 890.47636
1275.0000 -236.39901 -225.87387 10.52514 2.83482 -226.30328 888.68001
1280.0000 -234.71299 -222.76640 11.94659 2.92273 -224.44749 940.80939
1285.0000 -236.93150 -225.29341 11.63809 2.89650 -225.00121 942.68697
1290.0000 -237.57726 -224.84787 12.72940 2.88752 -225.19072 914.36818
1295.0000 -237.20542 -224.36581 12.83962 2.91515 -224.60755 951.63248
1300.0000 -237.38545 -226.25862 11.12683 2.87409 -225.47431 901.81517
1305.0000 -237.62597 -226.70409 10.92188 2.81807 -226.65696 882.09244
1310.0000 -236.31940 -224.41600 11.90341 2.86153 -225.73938 901.67502
1315.0000 -234.47962 -222.00876 12.47086 3.00507 -222.70910 960.30921
1320.0000 -236.35827 -226.40992 9.94834 2.91924 -224.52103 942.08564
1325.0000 -236.32425 -223.98687 12.33738 2.86633 -225.63812 923.57537
1330.0000 -238.63815 -225.11450 13.52365 2.89734 -224.98354 934.34914
1335.0000 -237.42260 -224.98048 12.44212 2.88226 -225.30188 922.59223
1340.0000 -237.73911 -225.63020 12.10891 2.88803 -225.18000 926.86270
1345.0000 -236.68933 -223.71609 12.97323 2.88121 -225.32397 918.76975
1350.0000 -235.20663 -222.14476 13.06187 2.98340 -223.16671 998.04544
1355.0000 -235.96453 -224.01393 11.95060 2.98828 -223.06361 1001.47417
1360.0000 -235.44351 -224.04129 11.40222 2.92630 -224.37200 940.99941
1365.0000 -237.81910 -225.73964 12.07946 2.94955 -223.88115 976.87672
1370.0000 -235.13187 -223.69387 11.43800 2.91243 -224.66489 915.84960
1375.0000 -234.10269 -223.61858 10.48412 2.92999 -224.29410 932.98090
1380.0000 -235.59315 -223.89369 11.69946 2.96368 -223.58286 980.34372
1385.0000 -236.87805 -223.52723 13.35082 2.96669 -223.51943 964.06248
1390.0000 -237.46207 -225.98636 11.47571 2.90333 -224.85700 950.30340
1395.0000 -237.55024 -226.95762 10.59263 2.81894 -226.63863 879.32563
1400.0000 -237.14641 -225.01280 12.13361 2.87280 -225.50160 920.67561
1405.0000 -236.59983 -224.41078 12.18905 2.86718 -225.62017 926.05641
1410.0000 -236.34619 -225.60842 10.73777 2.91281 -224.65681 936.58640
1415.0000 -236.45798 -225.56149 10.89649 2.85216 -225.93728 896.19659
1420.0000 -236.50120 -224.86381 11.63739 2.86403 -225.68676 906.44253
1425.0000 -238.29834 -225.10544 13.19289 2.92255 -224.45126 966.66787
1430.0000 -237.86635 -228.01751 9.84884 2.78074 -227.44503 857.41714
1435.0000 -239.41421 -228.43141 10.98280 2.73180 -228.47831 813.72141
1440.0000 -237.66313 -226.13888 11.52426 2.84103 -226.17218 902.50966
1445.0000 -237.99103 -226.94071 11.05031 2.84539 -226.08016 902.78142
1450.0000 -237.50603 -224.64021 12.86582 2.88301 -225.28592 902.00625
1455.0000 -238.08905 -227.30791 10.78114 2.87669 -225.41943 899.66188
1460.0000 -236.00943 -224.48813 11.52130 2.88320 -225.28189 926.38012
1465.0000 -235.79151 -224.21615 11.57536 2.92766 -224.34346 946.69463
1470.0000 -239.43940 -228.70265 10.73675 2.83350 -226.33124 860.66435
1475.0000 -238.10569 -227.77373 10.33195 2.73105 -228.49414 858.42985
1480.0000 -238.18039 -227.57934 10.60106 2.73735 -228.36096 835.30096
1485.0000 -234.86866 -222.98193 11.88673 2.86204 -225.72870 917.87091
1490.0000 -236.45106 -223.63426 12.81679 2.96789 -223.49403 977.85897
1495.0000 -235.85936 -222.88905 12.97031 2.99303 -222.96332 983.10443
1500.0000 -234.51219 -221.69746 12.81474 3.03652 -222.04520 1014.58605
FREEZING PROCESS: loop number 7 T-loop= 913.00000000000000
main_MD> interactions number 7 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.77365 -0.97182 -0.56755
force_rgl> df(natom) 2.74388 2.66019 0.85613
1505.0000 -234.69127 -223.61335 11.07792 2.96867 -223.47769 965.41897
1510.0000 -238.82247 -225.87586 12.94661 2.88197 -225.30784 934.05958
1515.0000 -236.88056 -226.55244 10.32812 2.80603 -226.91110 877.07252
1520.0000 -237.95184 -224.09790 13.85394 2.89219 -225.09215 932.29031
1525.0000 -238.08390 -226.49816 11.58574 2.81261 -226.77230 903.79798
1530.0000 -235.86792 -224.50060 11.36732 2.87423 -225.47127 907.60063
1535.0000 -236.96354 -225.13518 11.82836 2.87323 -225.49241 921.93393
1540.0000 -237.20549 -225.17145 12.03404 2.90376 -224.84789 934.03280
1545.0000 -237.03983 -225.37662 11.66321 2.88221 -225.30281 923.22221
1550.0000 -235.72387 -225.02283 10.70104 2.88217 -225.30362 922.55247
1555.0000 -235.26209 -224.84654 10.41555 2.86678 -225.62855 905.61201
1560.0000 -238.14990 -226.49085 11.65905 2.85357 -225.90750 912.21760
1565.0000 -238.76521 -228.17922 10.58599 2.78113 -227.43680 878.88785
1570.0000 -237.71850 -226.18980 11.52870 2.82554 -226.49919 872.53557
1575.0000 -237.18020 -226.80700 10.37321 2.82909 -226.42437 893.61088
1580.0000 -237.63281 -225.98683 11.64598 2.84711 -226.04389 901.72529
1585.0000 -237.17300 -224.62007 12.55294 2.93540 -224.18001 964.63660
1590.0000 -236.85324 -224.71103 12.14222 2.90923 -224.73234 933.80791
1595.0000 -238.04098 -227.34789 10.69308 2.87642 -225.42500 910.11983
1600.0000 -239.11643 -227.13948 11.97695 2.76138 -227.85372 863.24875
1605.0000 -237.31469 -227.12294 10.19175 2.84182 -226.15558 910.13474
1610.0000 -236.36009 -223.08926 13.27084 2.89524 -225.02789 915.89563
1615.0000 -235.13625 -221.28747 13.84878 2.97800 -223.28059 987.93583
1620.0000 -236.63653 -225.77967 10.85686 2.96704 -223.51201 993.65538
1625.0000 -238.78320 -228.28743 10.49577 2.78308 -227.39571 860.79094
1630.0000 -240.12497 -226.80953 13.31544 2.77643 -227.53603 877.27645
1635.0000 -236.65905 -226.46138 10.19768 2.81568 -226.70748 902.04383
1640.0000 -238.51743 -226.15377 12.36366 2.83938 -226.20714 901.02318
1645.0000 -238.61921 -225.94399 12.67522 2.86924 -225.57669 915.32009
1650.0000 -237.44365 -226.27436 11.16929 2.86162 -225.73750 930.68134
1655.0000 -236.73550 -225.93341 10.80209 2.80410 -226.95195 876.84307
1660.0000 -238.55590 -228.26562 10.29028 2.82022 -226.61150 884.00007
1665.0000 -240.43257 -230.19297 10.23961 2.72238 -228.67716 827.31676
1670.0000 -238.10698 -227.17411 10.93287 2.70088 -229.13107 819.29907
1675.0000 -236.61944 -226.32557 10.29387 2.84344 -226.12129 883.17844
1680.0000 -239.89365 -229.61195 10.28170 2.77198 -227.62988 851.09464
1685.0000 -239.94452 -227.73022 12.21430 2.70998 -228.93885 843.77129
1690.0000 -236.32936 -225.88643 10.44294 2.77036 -227.66412 848.76170
1695.0000 -237.16425 -224.52292 12.64133 2.89678 -224.99538 926.38243
1700.0000 -237.19753 -225.14958 12.04796 2.88929 -225.15349 923.95432
1705.0000 -236.78259 -224.96486 11.81773 2.91145 -224.68550 934.22618
1710.0000 -237.22461 -224.69708 12.52754 2.90555 -224.81014 935.88372
1715.0000 -237.18167 -224.56203 12.61963 2.89023 -225.13350 936.68095
1720.0000 -236.26124 -224.70422 11.55702 2.90007 -224.92572 941.69319
1725.0000 -234.39623 -222.95652 11.43971 2.91212 -224.67138 923.40765
1730.0000 -234.97349 -224.21654 10.75695 2.98387 -223.15671 976.34648
1735.0000 -236.15447 -223.65350 12.50097 2.92321 -224.43726 924.61006
1740.0000 -235.92963 -224.50523 11.42440 2.91288 -224.65541 952.13903
1745.0000 -239.06161 -226.71468 12.34693 2.85075 -225.96694 903.97380
1750.0000 -236.43060 -222.81312 13.61748 2.93011 -224.29163 943.60021
FREEZING PROCESS: loop number 8 T-loop= 888.00000000000000
main_MD> interactions number 8 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83989 0.20202 1.63178
force_rgl> df(natom) 0.43984 -0.66649 5.17989
1755.0000 -237.14327 -224.71473 12.42854 2.95275 -223.81368 978.01189
1760.0000 -237.44099 -224.77237 12.66862 2.90965 -224.72358 935.12291
1765.0000 -235.29044 -224.08516 11.20528 2.94159 -224.04937 965.02218
1770.0000 -238.20727 -227.77550 10.43178 2.78664 -227.32051 850.33967
1775.0000 -238.19917 -229.07815 9.12103 2.77321 -227.60408 872.76288
1780.0000 -239.02781 -228.94681 10.08100 2.66535 -229.88115 785.54596
1785.0000 -236.98764 -226.21400 10.77363 2.75113 -228.07023 843.21301
1790.0000 -239.07671 -226.94743 12.12928 2.84706 -226.04502 908.10238
1795.0000 -237.19623 -225.01582 12.18041 2.87772 -225.39773 946.05932
1800.0000 -238.46312 -228.36917 10.09395 2.82368 -226.53853 905.91889
1805.0000 -239.20115 -227.03365 12.16750 2.76785 -227.71712 871.39251
1810.0000 -239.24143 -227.13024 12.11119 2.81060 -226.81462 902.42086
1815.0000 -239.52171 -227.91222 11.60949 2.73005 -228.51526 852.94255
1820.0000 -240.47908 -228.93272 11.54636 2.69839 -229.18364 840.74941
1825.0000 -236.80355 -226.57830 10.22524 2.77501 -227.56596 867.88062
1830.0000 -237.04539 -226.43893 10.60647 2.83327 -226.33602 907.97796
1835.0000 -239.45289 -227.66303 11.78986 2.80991 -226.82916 879.10418
1840.0000 -238.11545 -227.25214 10.86330 2.76257 -227.82853 854.92485
1845.0000 -239.87494 -230.88195 8.99298 2.66517 -229.88492 799.01828
1850.0000 -239.46973 -227.04279 12.42694 2.70568 -229.02956 829.97010
1855.0000 -237.30809 -225.83106 11.47703 2.80175 -227.00145 865.87242
1860.0000 -235.38448 -223.85475 11.52973 2.88837 -225.17282 928.48775
1865.0000 -238.10059 -226.38199 11.71859 2.92260 -224.45020 959.21324
1870.0000 -239.18130 -228.67544 10.50586 2.77415 -227.58408 870.43591
1875.0000 -235.25328 -223.81829 11.43500 2.87082 -225.54330 917.24061
1880.0000 -238.12065 -225.01308 13.10757 2.90282 -224.86767 930.69066
1885.0000 -237.92743 -228.26206 9.66537 2.82663 -226.47631 885.79792
1890.0000 -238.52576 -228.44831 10.07746 2.78818 -227.28789 851.68321
1895.0000 -237.33719 -228.80379 8.53340 2.71188 -228.89882 811.07607
1900.0000 -239.58341 -229.12534 10.45807 2.78993 -227.25108 871.67788
1905.0000 -238.39655 -229.06421 9.33233 2.71723 -228.78576 828.42034
1910.0000 -237.80215 -225.79590 12.00625 2.78773 -227.29749 880.18241
1915.0000 -237.70699 -225.81398 11.89301 2.85938 -225.78478 902.94935
1920.0000 -238.92209 -225.69411 13.22798 2.83722 -226.25276 915.49235
1925.0000 -236.40863 -223.35132 13.05731 2.90914 -224.73444 965.00919
1930.0000 -238.56134 -228.26250 10.29884 2.86909 -225.57980 923.09736
1935.0000 -238.12382 -226.09206 12.03176 2.77160 -227.63793 861.29068
1940.0000 -239.39177 -226.69958 12.69219 2.81656 -226.68875 876.96600
1945.0000 -239.91463 -227.46302 12.45161 2.82410 -226.52968 864.86099
1950.0000 -238.14768 -227.41033 10.73735 2.79211 -227.20498 871.53219
1955.0000 -237.07775 -225.92291 11.15484 2.84470 -226.09472 908.75913
1960.0000 -236.71776 -226.72243 9.99533 2.79365 -227.17255 889.57933
1965.0000 -237.36103 -226.07363 11.28739 2.80987 -226.83013 873.37892
1970.0000 -239.15640 -227.56108 11.59531 2.85455 -225.88670 910.19092
1975.0000 -238.34661 -226.48691 11.85970 2.80245 -226.98672 868.74520
1980.0000 -238.90009 -227.16479 11.73529 2.85318 -225.91566 895.92491
1985.0000 -237.96882 -226.30040 11.66843 2.80748 -226.88042 887.43219
1990.0000 -240.12565 -229.58551 10.54014 2.75958 -227.89170 862.79266
1995.0000 -237.57735 -226.63720 10.94014 2.75495 -227.98945 855.97053
2000.0000 -238.02109 -227.26060 10.76049 2.75602 -227.96688 848.32067
FREEZING PROCESS: loop number 9 T-loop= 863.00000000000000
main_MD> interactions number 9 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07644 1.21650 0.55107
force_rgl> df(natom) 0.20664 -0.48323 0.81334
2005.0000 -237.56842 -226.53208 11.03635 2.78203 -227.41778 851.08954
2010.0000 -238.60576 -228.94667 9.65910 2.81094 -226.80757 885.28760
2015.0000 -237.81095 -227.23825 10.57270 2.74319 -228.23783 830.67522
2020.0000 -237.39888 -227.45096 9.94791 2.79268 -227.19305 859.64793
2025.0000 -238.29625 -227.56835 10.72791 2.81597 -226.70129 891.93314
2030.0000 -238.94526 -228.88013 10.06513 2.74611 -228.17602 855.57676
2035.0000 -240.10127 -230.12896 9.97231 2.71291 -228.87704 839.77542
2040.0000 -240.46642 -228.65855 11.80787 2.66857 -229.81305 833.38392
2045.0000 -239.35837 -229.03665 10.32172 2.72173 -228.69084 835.78271
2050.0000 -238.96989 -227.29653 11.67336 2.76160 -227.84912 854.26755
2055.0000 -238.95959 -227.84842 11.11117 2.83495 -226.30061 895.57207
2060.0000 -238.30108 -227.87223 10.42885 2.71239 -228.88791 843.04940
2065.0000 -238.31454 -226.73979 11.57475 2.77671 -227.53014 877.15789
2070.0000 -238.95063 -229.16191 9.78872 2.76007 -227.88142 850.02711
2075.0000 -237.80197 -226.82386 10.97811 2.73586 -228.39252 842.15737
2080.0000 -237.49498 -226.35484 11.14014 2.83924 -226.20999 890.71157
2085.0000 -237.18218 -224.95241 12.22977 2.87252 -225.50753 911.53329
2090.0000 -236.72075 -227.19005 9.53070 2.84299 -226.13090 906.90611
2095.0000 -238.50008 -228.20912 10.29096 2.78441 -227.36746 842.70138
2100.0000 -238.83861 -225.94715 12.89146 2.82382 -226.53551 880.24387
2105.0000 -237.07273 -226.41645 10.65628 2.85109 -225.95991 920.69565
2110.0000 -236.06517 -223.84897 12.21620 2.87141 -225.53086 924.96189
2115.0000 -236.48155 -225.12457 11.35698 2.87332 -225.49063 913.68355
2120.0000 -238.63270 -229.15307 9.47963 2.79728 -227.09584 882.58104
2125.0000 -238.03545 -227.49719 10.53826 2.69243 -229.30942 804.33907
2130.0000 -237.63441 -226.40819 11.22622 2.81090 -226.80825 872.40826
2135.0000 -239.73804 -229.02974 10.70829 2.76125 -227.85643 839.30929
2140.0000 -240.87162 -229.65878 11.21285 2.70219 -229.10338 803.66301
2145.0000 -239.91478 -229.13442 10.78035 2.70757 -228.98982 826.80076
2150.0000 -237.80341 -228.20280 9.60061 2.69240 -229.31008 805.31715
2155.0000 -238.34207 -226.85442 11.48765 2.75429 -228.00332 837.26697
2160.0000 -236.93895 -227.36973 9.56922 2.78523 -227.35030 840.68309
2165.0000 -238.36816 -228.18105 10.18711 2.79491 -227.14590 866.67655
2170.0000 -239.80602 -229.27419 10.53182 2.70907 -228.95804 837.16130
2175.0000 -239.81083 -229.02094 10.78990 2.69793 -229.19319 838.33227
2180.0000 -238.20855 -227.95221 10.25634 2.75279 -228.03501 852.92509
2185.0000 -238.72638 -228.37494 10.35144 2.78651 -227.32332 864.89382
2190.0000 -236.62162 -225.68596 10.93566 2.79569 -227.12951 876.31279
2195.0000 -240.39877 -230.73472 9.66404 2.75679 -227.95070 852.42521
2200.0000 -238.82912 -228.25006 10.57906 2.69196 -229.31923 792.48265
2205.0000 -238.78792 -229.07786 9.71006 2.75477 -227.99326 855.84142
2210.0000 -239.51307 -229.29203 10.22104 2.67081 -229.76584 790.55485
2215.0000 -239.39757 -229.20911 10.18846 2.68452 -229.47628 808.89437
2220.0000 -239.79559 -229.42952 10.36607 2.73964 -228.31270 830.92828
2225.0000 -238.20956 -228.72893 9.48063 2.76371 -227.80465 855.29558
2230.0000 -238.38473 -228.11123 10.27351 2.75989 -227.88511 866.37153
2235.0000 -237.70822 -226.44446 11.26376 2.78550 -227.34462 863.86199
2240.0000 -236.86454 -226.43090 10.43364 2.83987 -226.19666 911.29253
2245.0000 -237.27455 -225.03163 12.24292 2.81096 -226.80703 881.38950
2250.0000 -237.39833 -226.76616 10.63217 2.82181 -226.57797 890.39759
FREEZING PROCESS: loop number 10 T-loop= 838.00000000000000
main_MD> interactions number 10 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63823 0.77649 1.87067
force_rgl> df(natom) -2.74908 -0.55458 0.05586
2255.0000 -235.57302 -224.00335 11.56967 2.88417 -225.26154 921.59308
2260.0000 -237.29283 -225.02522 12.26761 2.96385 -223.57938 972.38175
2265.0000 -239.89029 -228.32909 11.56121 2.86263 -225.71615 894.10191
2270.0000 -239.74487 -228.48384 11.26103 2.71271 -228.88113 826.48656
2275.0000 -238.33589 -228.97004 9.36585 2.75108 -228.07118 830.14934
2280.0000 -237.68640 -227.38663 10.29977 2.70342 -229.07731 796.14795
2285.0000 -239.01796 -227.40576 11.61220 2.76288 -227.82206 838.80295
2290.0000 -239.43257 -227.19915 12.23342 2.80854 -226.85805 864.45648
2295.0000 -241.82806 -232.31817 9.50989 2.66381 -229.91351 788.56178
2300.0000 -239.04235 -229.10927 9.93308 2.65984 -229.99739 795.07517
2305.0000 -239.69796 -229.63292 10.06505 2.71675 -228.79588 848.24365
2310.0000 -238.91287 -228.12633 10.78653 2.72565 -228.60812 823.50590
2315.0000 -238.37897 -229.36985 9.00912 2.72215 -228.68187 821.69477
2320.0000 -237.16176 -226.50197 10.65979 2.73304 -228.45210 817.13617
2325.0000 -238.73734 -226.02398 12.71337 2.83151 -226.37311 887.34534
2330.0000 -240.44178 -230.46342 9.97836 2.75996 -227.88372 866.78062
2335.0000 -239.34464 -230.56730 8.77735 2.59508 -231.36460 741.56396
2340.0000 -238.75372 -229.57904 9.17468 2.71285 -228.87835 799.10626
2345.0000 -236.81389 -228.06306 8.75083 2.74552 -228.18862 830.34392
2350.0000 -241.02984 -231.02955 10.00030 2.71480 -228.83712 821.42784
2355.0000 -237.85807 -227.54452 10.31355 2.69987 -229.15222 799.85660
2360.0000 -240.45782 -229.30030 11.15752 2.75062 -228.08099 834.23563
2365.0000 -239.06117 -229.20629 9.85488 2.73556 -228.39884 851.40565
2370.0000 -239.60274 -229.13970 10.46304 2.68189 -229.53184 802.81065
2375.0000 -240.25671 -230.38056 9.87615 2.62611 -230.70955 785.68165
2380.0000 -239.53128 -229.91341 9.61788 2.71192 -228.89795 826.05217
2385.0000 -240.41838 -229.41350 11.00488 2.67637 -229.64835 785.32789
2390.0000 -238.41321 -227.67705 10.73616 2.74601 -228.17817 869.22448
2395.0000 -239.81895 -228.36927 11.44968 2.77051 -227.66093 852.82806
2400.0000 -237.21005 -226.72182 10.48823 2.78062 -227.44746 861.13098
2405.0000 -239.49319 -229.17444 10.31875 2.73482 -228.41450 848.79719
2410.0000 -238.95850 -228.93793 10.02057 2.73628 -228.38363 829.36994
2415.0000 -239.20050 -228.29366 10.90684 2.74366 -228.22777 827.63310
2420.0000 -238.02498 -227.22338 10.80160 2.79433 -227.15816 884.57885
2425.0000 -238.74839 -228.37603 10.37236 2.76605 -227.75517 865.30323
2430.0000 -236.56168 -226.72360 9.83807 2.76738 -227.72717 844.04967
2435.0000 -238.11971 -229.04416 9.07555 2.72917 -228.53374 826.26864
2440.0000 -240.63632 -230.45895 10.17737 2.67216 -229.73729 796.69929
2445.0000 -241.76059 -231.34032 10.42028 2.60628 -231.12820 762.70213
2450.0000 -240.62254 -231.25013 9.37241 2.59854 -231.29144 777.62689
2455.0000 -239.01056 -229.30036 9.71021 2.63159 -230.59377 801.31407
2460.0000 -240.49066 -229.96291 10.52774 2.66374 -229.91497 787.23814
2465.0000 -240.37094 -230.58359 9.78735 2.63150 -230.59568 776.17704
2470.0000 -239.93909 -229.03473 10.90436 2.64747 -230.25849 787.93069
2475.0000 -237.90053 -228.58339 9.31714 2.73477 -228.41554 838.33516
2480.0000 -236.93838 -227.51725 9.42113 2.77736 -227.51634 867.83186
2485.0000 -238.76655 -228.92762 9.83893 2.70642 -229.01401 810.25043
2490.0000 -239.63250 -228.57736 11.05514 2.70814 -228.97773 835.44175
2495.0000 -240.85414 -230.79046 10.06367 2.71305 -228.87396 833.98043
2500.0000 -239.26005 -228.78950 10.47055 2.67047 -229.77289 789.80032
FREEZING PROCESS: loop number 11 T-loop= 813.00000000000000
main_MD> interactions number 11 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.53732 -0.32056 -0.27653
force_rgl> df(natom) -0.71570 -0.97072 0.68770
2505.0000 -238.21355 -228.84322 9.37032 2.73843 -228.33817 821.44732
2510.0000 -239.11965 -228.47750 10.64214 2.72268 -228.67077 837.42787
2515.0000 -239.35671 -228.12318 11.23352 2.71578 -228.81635 825.09097
2520.0000 -239.01704 -229.37564 9.64140 2.71209 -228.89436 820.75029
2525.0000 -239.89090 -229.89188 9.99903 2.69017 -229.35702 825.45785
2530.0000 -240.49770 -230.99959 9.49812 2.59372 -231.39324 765.77147
2535.0000 -240.88004 -229.91758 10.96247 2.63188 -230.58764 784.10703
2540.0000 -239.95304 -230.22738 9.72566 2.63495 -230.52289 784.85861
2545.0000 -238.64612 -228.75542 9.89070 2.68926 -229.37638 814.10420
2550.0000 -239.76769 -230.72199 9.04570 2.68853 -229.39164 797.02206
2555.0000 -240.95975 -231.79443 9.16531 2.58053 -231.67170 754.07806
2560.0000 -241.13653 -231.38952 9.74701 2.62212 -230.79379 794.37407
2565.0000 -241.01947 -230.56445 10.45502 2.61877 -230.86452 777.11109
2570.0000 -240.61546 -231.33210 9.28336 2.58865 -231.50036 748.62703
2575.0000 -240.54637 -231.90263 8.64374 2.59505 -231.36528 734.88472
2580.0000 -241.32400 -232.22274 9.10125 2.57576 -231.77237 729.85495
2585.0000 -240.87641 -230.29392 10.58249 2.56116 -232.08070 736.85533
2590.0000 -239.82297 -230.37914 9.44384 2.63417 -230.53939 773.36301
2595.0000 -239.07718 -229.19202 9.88515 2.65008 -230.20347 778.52357
2600.0000 -241.32360 -231.54804 9.77557 2.66170 -229.95802 809.74195
2605.0000 -238.71282 -227.67638 11.03644 2.66764 -229.83273 794.40660
2610.0000 -238.93399 -228.28410 10.64989 2.80930 -226.84209 892.50525
2615.0000 -240.56266 -228.75373 11.80894 2.71563 -228.81953 825.05702
2620.0000 -237.31851 -227.60676 9.71175 2.76171 -227.84678 870.71956
2625.0000 -239.48126 -230.27606 9.20520 2.69089 -229.34193 817.81769
2630.0000 -239.93289 -228.72264 11.21025 2.65698 -230.05770 762.63128
2635.0000 -235.82854 -225.85443 9.97411 2.77911 -227.47946 852.27702
2640.0000 -237.13968 -226.46772 10.67196 2.80299 -226.97521 855.93888
2645.0000 -237.50042 -226.92123 10.57919 2.79102 -227.22802 846.27083
2650.0000 -239.80519 -229.31900 10.48620 2.77247 -227.61958 818.07610
2655.0000 -238.07701 -228.07664 10.00037 2.70914 -228.95658 805.47870
2660.0000 -238.90923 -229.20934 9.69989 2.74463 -228.20745 816.81646
2665.0000 -237.95119 -227.09633 10.85485 2.71174 -228.90166 820.70223
2670.0000 -238.93549 -227.35038 11.58511 2.79553 -227.13288 869.31202
2675.0000 -238.87269 -228.59074 10.28195 2.76827 -227.70832 835.63903
2680.0000 -239.70057 -227.98878 11.71179 2.73603 -228.38895 849.79851
2685.0000 -240.06660 -228.42115 11.64545 2.74303 -228.24117 850.50161
2690.0000 -239.65540 -227.92408 11.73132 2.74594 -228.17968 851.21053
2695.0000 -238.73881 -228.26258 10.47623 2.75320 -228.02637 861.23034
2700.0000 -238.97986 -229.61497 9.36490 2.69032 -229.35401 817.03020
2705.0000 -240.26583 -229.55872 10.70711 2.64911 -230.22394 771.11909
2710.0000 -238.49666 -227.87177 10.62489 2.75206 -228.05042 840.22229
2715.0000 -240.20308 -229.78922 10.41386 2.73419 -228.42767 842.23223
2720.0000 -239.67557 -231.20117 8.47440 2.62859 -230.65706 797.46889
2725.0000 -240.14483 -230.74040 9.40443 2.57026 -231.88851 756.68238
2730.0000 -238.35655 -227.71551 10.64104 2.72041 -228.71858 828.22576
2735.0000 -239.08149 -230.37466 8.70683 2.70623 -229.01794 801.67128
2740.0000 -240.73037 -230.73370 9.99667 2.58875 -231.49825 736.59731
2745.0000 -239.71093 -229.90987 9.80107 2.61795 -230.88165 779.56879
2750.0000 -240.92180 -231.21968 9.70212 2.60002 -231.26033 763.82828
FREEZING PROCESS: loop number 12 T-loop= 788.00000000000000
main_MD> interactions number 12 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.20755 -1.93789 -1.16579
force_rgl> df(natom) -2.45342 2.40728 -2.15967
2755.0000 -240.19901 -229.76181 10.43720 2.62956 -230.63657 778.53957
2760.0000 -239.71296 -229.89588 9.81708 2.66332 -229.92397 768.10007
2765.0000 -240.62057 -229.13459 11.48598 2.72223 -228.68032 857.32574
2770.0000 -237.07521 -227.62176 9.45345 2.70194 -229.10849 806.70083
2775.0000 -239.46943 -227.84232 11.62711 2.78193 -227.42000 873.93572
2780.0000 -239.64858 -228.03172 11.61686 2.74721 -228.15285 845.29484
2785.0000 -238.10428 -228.39357 9.71071 2.75660 -227.95466 867.08984
2790.0000 -240.95888 -230.43851 10.52037 2.68768 -229.40971 782.13527
2795.0000 -240.51699 -230.08823 10.42875 2.65675 -230.06271 798.49283
2800.0000 -240.17388 -229.65464 10.51924 2.63683 -230.48311 778.60335
2805.0000 -239.40561 -229.14035 10.26526 2.68282 -229.51225 805.88036
2810.0000 -237.78904 -227.83139 9.95765 2.74622 -228.17378 839.70622
2815.0000 -238.92565 -229.32123 9.60442 2.77534 -227.55906 867.44020
2820.0000 -239.96760 -229.75921 10.20839 2.68826 -229.39735 804.58682
2825.0000 -237.84293 -228.15554 9.68739 2.72447 -228.63290 833.66169
2830.0000 -238.66901 -228.16056 10.50845 2.74209 -228.26095 827.37809
2835.0000 -240.89731 -230.29529 10.60202 2.66230 -229.94545 784.97628
2840.0000 -240.43146 -230.97512 9.45634 2.62229 -230.79019 783.93189
2845.0000 -240.66219 -231.17950 9.48269 2.64870 -230.23248 778.21531
2850.0000 -240.42489 -229.00187 11.42302 2.65736 -230.04976 784.01681
2855.0000 -239.40311 -230.66432 8.73879 2.69166 -229.32568 818.20667
2860.0000 -239.76748 -229.78292 9.98455 2.69160 -229.32688 821.79787
2865.0000 -240.56279 -229.57656 10.98623 2.65865 -230.02249 797.75652
2870.0000 -240.32893 -229.40855 10.92038 2.68439 -229.47920 805.35841
2875.0000 -239.31161 -229.11395 10.19765 2.68604 -229.44424 761.01435
2880.0000 -239.42533 -229.84763 9.57770 2.73188 -228.47654 800.41735
2885.0000 -239.59508 -229.95047 9.64461 2.65020 -230.20100 754.87941
2890.0000 -238.15599 -228.62505 9.53093 2.66746 -229.83649 796.89620
2895.0000 -238.48806 -229.10842 9.37964 2.68777 -229.40781 802.35302
2900.0000 -241.48635 -230.38560 11.10074 2.72013 -228.72461 810.91141
2905.0000 -239.99624 -230.77725 9.21898 2.65105 -230.18288 797.80235
2910.0000 -239.99867 -230.45673 9.54194 2.65132 -230.17720 776.65672
2915.0000 -241.57840 -231.18326 10.39514 2.64688 -230.27103 789.52676
2920.0000 -239.43922 -229.60899 9.83023 2.63204 -230.58424 760.56497
2925.0000 -241.18903 -230.85357 10.33546 2.62731 -230.68411 790.87395
2930.0000 -240.40539 -230.24070 10.16470 2.59171 -231.43576 750.06341
2935.0000 -239.95779 -229.66921 10.28858 2.63464 -230.52937 793.17387
2940.0000 -238.12432 -229.30325 8.82107 2.66199 -229.95201 800.87535
2945.0000 -239.30814 -228.25445 11.05369 2.73482 -228.41448 864.68812
2950.0000 -239.55972 -231.93185 7.62787 2.63924 -230.43222 760.16906
2955.0000 -239.57718 -229.58732 9.98986 2.66952 -229.79310 800.17828
2960.0000 -239.18832 -227.72410 11.46422 2.72564 -228.60820 820.40009
2965.0000 -239.80316 -231.39942 8.40374 2.68057 -229.55976 843.36415
2970.0000 -240.44669 -229.31841 11.12828 2.63374 -230.54843 784.86761
2975.0000 -238.90135 -230.12480 8.77655 2.66565 -229.87464 798.89711
2980.0000 -240.13418 -231.83403 8.30015 2.61897 -230.86020 767.00523
2985.0000 -239.42905 -228.73215 10.69690 2.67055 -229.77122 774.87164
2990.0000 -240.53112 -230.16133 10.36979 2.69747 -229.20295 823.51383
2995.0000 -239.53234 -229.70516 9.82718 2.66693 -229.84776 791.63266
3000.0000 -239.71904 -229.25498 10.46406 2.73565 -228.39691 842.55907
FREEZING PROCESS: loop number 13 T-loop= 763.00000000000000
main_MD> interactions number 13 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18137 5.06418 0.04266
force_rgl> df(natom) -0.94838 1.46665 1.00721
3005.0000 -238.58712 -229.93971 8.64741 2.68050 -229.56121 800.81993
3010.0000 -239.84269 -230.40316 9.43953 2.62183 -230.79980 762.48469
3015.0000 -239.17845 -230.13569 9.04276 2.62996 -230.62820 738.64405
3020.0000 -239.00140 -230.81209 8.18931 2.65558 -230.08728 782.47735
3025.0000 -240.42591 -230.81942 9.60650 2.65319 -230.13770 789.21681
3030.0000 -239.68528 -230.33443 9.35086 2.62068 -230.82412 766.57140
3035.0000 -240.54420 -230.63973 9.90447 2.62734 -230.68347 770.62909
3040.0000 -240.53588 -231.92880 8.60708 2.56694 -231.95866 740.13586
3045.0000 -240.52339 -230.83141 9.69198 2.58934 -231.48574 751.82933
3050.0000 -239.54199 -230.66628 8.87571 2.61519 -230.93999 751.73562
3055.0000 -239.90423 -231.03225 8.87197 2.60238 -231.21044 746.15357
3060.0000 -240.14560 -230.89992 9.24569 2.56355 -232.03024 726.60841
3065.0000 -241.76821 -231.88936 9.87885 2.61071 -231.03464 755.65647
3070.0000 -241.16150 -232.74692 8.41458 2.54097 -232.50690 726.26205
3075.0000 -241.86333 -231.37141 10.49191 2.55931 -232.11980 736.51933
3080.0000 -240.53636 -231.29946 9.23690 2.62302 -230.77476 770.61638
3085.0000 -242.16885 -233.87585 8.29299 2.54689 -232.38199 728.93064
3090.0000 -241.36838 -232.13804 9.23034 2.50963 -233.16850 716.66542
3095.0000 -240.77239 -231.43554 9.33685 2.56450 -232.01003 750.80349
3100.0000 -240.16905 -229.56163 10.60742 2.63371 -230.54910 769.90864
3105.0000 -240.50334 -230.13329 10.37005 2.62020 -230.83413 754.06196
3110.0000 -240.60259 -230.47985 10.12274 2.69641 -229.22529 802.95198
3115.0000 -241.26670 -231.97869 9.28801 2.60578 -231.13868 754.17484
3120.0000 -241.69686 -232.73606 8.96080 2.51379 -233.08078 708.32514
3125.0000 -241.10007 -230.99195 10.10812 2.57850 -231.71459 741.03518
3130.0000 -240.29666 -230.42283 9.87383 2.64025 -230.41092 787.58888
3135.0000 -239.57515 -231.67404 7.90110 2.56600 -231.97845 713.98925
3140.0000 -240.77152 -231.69089 9.08062 2.58183 -231.64431 729.24293
3145.0000 -240.50125 -232.08005 8.42120 2.58250 -231.63019 733.50708
3150.0000 -241.26567 -231.67486 9.59081 2.61420 -230.96085 765.05535
3155.0000 -241.24272 -231.88837 9.35435 2.55229 -232.26786 741.61576
3160.0000 -241.92252 -232.70696 9.21555 2.53370 -232.66028 708.77941
3165.0000 -241.57554 -232.08935 9.48619 2.55342 -232.24409 719.29322
3170.0000 -240.25992 -231.67765 8.58227 2.58831 -231.50756 738.20758
3175.0000 -240.21124 -229.65576 10.55548 2.60883 -231.07427 751.21423
3180.0000 -240.62672 -230.57564 10.05108 2.64563 -230.29731 772.67870
3185.0000 -239.59215 -229.95410 9.63805 2.65055 -230.19353 788.05567
3190.0000 -241.14964 -230.00174 11.14790 2.61638 -230.91496 778.70939
3195.0000 -240.22136 -230.12321 10.09815 2.66149 -229.96262 796.04109
3200.0000 -239.99017 -230.69687 9.29330 2.64617 -230.28603 777.99203
3205.0000 -241.02585 -232.42151 8.60434 2.58911 -231.49069 750.10199
3210.0000 -241.07107 -232.90478 8.16629 2.54670 -232.38596 716.43568
3215.0000 -241.88384 -233.36111 8.52273 2.56377 -232.02563 732.75826
3220.0000 -241.22906 -231.03189 10.19717 2.55105 -232.29407 721.21660
3225.0000 -240.63314 -232.05245 8.58069 2.57769 -231.73159 740.45555
3230.0000 -240.39386 -231.60992 8.78394 2.55850 -232.13688 713.21558
3235.0000 -239.34286 -229.71041 9.63245 2.65260 -230.15020 775.39234
3240.0000 -238.92801 -229.43235 9.49566 2.62050 -230.82787 756.87901
3245.0000 -238.45041 -229.19365 9.25676 2.70669 -229.00829 819.59520
3250.0000 -239.58700 -229.42559 10.16141 2.70971 -228.94450 803.91542
FREEZING PROCESS: loop number 14 T-loop= 738.00000000000000
main_MD> interactions number 14 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.59040 -3.82620 -0.27954
force_rgl> df(natom) 1.55593 0.84584 -0.82274
3255.0000 -239.75032 -229.83586 9.91446 2.67563 -229.66394 789.62840
3260.0000 -238.66739 -230.27992 8.38747 2.64094 -230.39629 776.60126
3265.0000 -239.61827 -231.34740 8.27087 2.63473 -230.52753 768.01954
3270.0000 -240.82191 -232.17416 8.64774 2.57332 -231.82391 740.89709
3275.0000 -240.51599 -230.68826 9.82773 2.58281 -231.62358 726.48775
3280.0000 -240.36403 -231.01297 9.35106 2.60179 -231.22290 743.57357
3285.0000 -240.96946 -230.72431 10.24515 2.61675 -230.90698 754.09733
3290.0000 -242.35621 -233.37960 8.97662 2.59069 -231.45732 738.53335
3295.0000 -242.81234 -234.04427 8.76808 2.48083 -233.77644 673.85781
3300.0000 -241.14052 -234.24230 6.89821 2.45657 -234.28876 644.74359
3305.0000 -241.80143 -233.28360 8.51783 2.48596 -233.66812 678.42671
3310.0000 -239.51323 -231.00729 8.50594 2.58909 -231.49092 754.14171
3315.0000 -243.23460 -234.49398 8.74062 2.52788 -232.78323 726.83497
3320.0000 -241.79642 -233.16240 8.63401 2.49402 -233.49802 717.48651
3325.0000 -241.79369 -231.64757 10.14613 2.55092 -232.29692 725.55720
3330.0000 -241.75079 -232.49439 9.25640 2.55449 -232.22141 741.82090
3335.0000 -242.48265 -234.66764 7.81501 2.51231 -233.11185 719.67625
3340.0000 -240.94126 -231.69675 9.24451 2.51949 -232.96045 693.56691
3345.0000 -241.23848 -232.78943 8.44905 2.58569 -231.56281 735.10264
3350.0000 -240.93491 -231.66490 9.27001 2.53738 -232.58264 729.89345
3355.0000 -240.60660 -230.49461 10.11199 2.60239 -231.21020 764.59674
3360.0000 -240.72983 -231.56994 9.15988 2.65523 -230.09473 792.44146
3365.0000 -241.24986 -233.30897 7.94089 2.55700 -232.16857 719.67299
3370.0000 -242.78759 -233.03536 9.75222 2.55017 -232.31271 727.24105
3375.0000 -240.25598 -230.85643 9.39955 2.57134 -231.86565 726.08601
3380.0000 -240.85987 -230.78052 10.07934 2.60103 -231.23887 733.36659
3385.0000 -242.49923 -234.12859 8.37064 2.53800 -232.56967 708.99184
3390.0000 -241.78395 -233.57427 8.20969 2.47393 -233.92222 697.03275
3395.0000 -241.26424 -232.31556 8.94868 2.51775 -232.99702 697.83853
3400.0000 -241.81797 -233.35704 8.46093 2.53412 -232.65155 710.81947
3405.0000 -241.15769 -232.93384 8.22385 2.50909 -233.17996 703.80438
3410.0000 -239.47226 -229.91926 9.55300 2.63187 -230.58778 775.64283
3415.0000 -241.30286 -232.65253 8.65033 2.58299 -231.61973 739.50886
3420.0000 -241.48523 -232.25106 9.23417 2.54578 -232.40530 732.98374
3425.0000 -242.42433 -233.65442 8.76992 2.52869 -232.76603 727.37645
3430.0000 -241.41564 -232.85688 8.55877 2.50721 -233.21957 696.91029
3435.0000 -240.56735 -232.29256 8.27478 2.52102 -232.92815 706.56838
3440.0000 -242.62198 -234.09408 8.52790 2.50145 -233.34128 703.67643
3445.0000 -240.94008 -233.24014 7.69994 2.48502 -233.68815 694.11415
3450.0000 -242.66676 -233.73424 8.93253 2.45280 -234.36829 656.16673
3455.0000 -240.76982 -231.59517 9.17465 2.56972 -231.89988 718.20873
3460.0000 -242.59193 -232.51811 10.07382 2.53778 -232.57424 722.04631
3465.0000 -240.02632 -231.67753 8.34878 2.55423 -232.22686 716.56068
3470.0000 -243.18955 -235.20309 7.98646 2.48408 -233.70782 678.11857
3475.0000 -241.84296 -231.95607 9.88689 2.50035 -233.36436 705.90114
3480.0000 -240.34880 -230.29825 10.05055 2.60035 -231.25335 752.71257
3485.0000 -239.92488 -230.05507 9.86982 2.65255 -230.15128 764.94770
3490.0000 -241.84405 -232.28707 9.55698 2.61082 -231.03231 750.96633
3495.0000 -242.19078 -233.27706 8.91372 2.52574 -232.82844 728.39905
3500.0000 -239.74407 -232.80626 6.93780 2.51177 -233.12335 697.47425
FREEZING PROCESS: loop number 15 T-loop= 713.00000000000000
main_MD> interactions number 15 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.73734 2.02177 -4.84617
force_rgl> df(natom) 1.68799 -0.68999 -1.61934
3505.0000 -241.64492 -232.37189 9.27304 2.54580 -232.40490 711.81043
3510.0000 -240.44183 -230.43236 10.00948 2.58285 -231.62270 759.32433
3515.0000 -240.49613 -230.28748 10.20865 2.66706 -229.84504 808.77709
3520.0000 -241.84176 -233.52076 8.32100 2.55467 -232.21765 737.04935
3525.0000 -241.92770 -233.24022 8.68748 2.48470 -233.69479 696.60602
3530.0000 -242.80648 -234.17998 8.62650 2.49455 -233.48679 694.92756
3535.0000 -240.60827 -231.85643 8.75183 2.52500 -232.84398 705.63717
3540.0000 -241.19217 -231.62466 9.56751 2.56423 -232.01577 726.96839
3545.0000 -241.55694 -230.79150 10.76544 2.58419 -231.59447 751.85526
3550.0000 -239.45845 -231.59721 7.86124 2.55517 -232.20711 732.15825
3555.0000 -242.14433 -234.16155 7.98278 2.51923 -232.96583 705.33931
3560.0000 -243.66506 -233.88164 9.78342 2.40957 -235.28085 659.14612
3565.0000 -242.56283 -232.77216 9.79067 2.46956 -234.01454 661.86988
3570.0000 -242.66174 -234.82837 7.83337 2.45986 -234.21923 653.94838
3575.0000 -242.73527 -233.65076 9.08451 2.43367 -234.77218 655.33156
3580.0000 -239.99914 -232.25240 7.74674 2.53398 -232.65448 706.50670
3585.0000 -241.76496 -233.66697 8.09799 2.49155 -233.55030 693.57206
3590.0000 -242.23809 -232.97725 9.26084 2.53524 -232.62792 702.55140
3595.0000 -241.77249 -232.89637 8.87611 2.52201 -232.90709 727.77114
3600.0000 -242.88423 -234.66139 8.22283 2.51472 -233.06110 718.05955
3605.0000 -242.40717 -233.68775 8.71942 2.48152 -233.76195 663.64255
3610.0000 -241.26593 -232.46177 8.80416 2.53525 -232.62774 723.63353
3615.0000 -242.35298 -234.54540 7.80758 2.48537 -233.68064 686.15063
3620.0000 -241.51597 -232.86930 8.64667 2.49256 -233.52897 698.71223
3625.0000 -241.59766 -232.46411 9.13355 2.54685 -232.38282 734.13809
3630.0000 -240.84468 -232.98664 7.85804 2.51789 -232.99416 700.57704
3635.0000 -243.18289 -233.11700 10.06588 2.47861 -233.82329 679.73325
3640.0000 -241.36189 -233.16693 8.19496 2.51373 -233.08197 713.01107
3645.0000 -241.77015 -232.97649 8.79367 2.53248 -232.68606 709.88748
3650.0000 -241.57091 -231.85781 9.71310 2.56847 -231.92639 730.75839
3655.0000 -240.67822 -232.77697 7.90125 2.57212 -231.84926 738.66995
3660.0000 -241.28654 -232.83416 8.45238 2.51243 -233.10945 717.01334
3665.0000 -242.19793 -232.44927 9.74866 2.49283 -233.52321 710.18286
3670.0000 -240.50787 -229.53629 10.97158 2.59852 -231.29194 745.21367
3675.0000 -239.10135 -229.67015 9.43120 2.69003 -229.36012 793.36605
3680.0000 -241.39349 -230.77030 10.62320 2.61531 -230.93746 756.67660
3685.0000 -243.39823 -232.78141 10.61681 2.61241 -230.99874 757.65889
3690.0000 -242.08346 -232.51588 9.56758 2.53771 -232.57569 733.12750
3695.0000 -241.28192 -233.28057 8.00135 2.55560 -232.19792 728.37267
3700.0000 -242.79003 -233.61364 9.17638 2.52445 -232.85570 736.63590
3705.0000 -241.57684 -232.95068 8.62616 2.48888 -233.60666 681.39460
3710.0000 -242.53095 -233.74765 8.78330 2.49309 -233.51769 701.44152
3715.0000 -239.91637 -231.44324 8.47312 2.50612 -233.24261 709.17530
3720.0000 -240.45536 -232.05814 8.39722 2.60552 -231.14425 752.47936
3725.0000 -242.14684 -232.03194 10.11490 2.57686 -231.74919 740.64396
3730.0000 -242.61274 -233.17423 9.43851 2.51674 -233.01834 721.23572
3735.0000 -241.83719 -234.81345 7.02374 2.48894 -233.60540 691.95555
3740.0000 -243.04722 -233.48903 9.55819 2.49531 -233.47084 684.49507
3745.0000 -240.86219 -232.03987 8.82232 2.55852 -232.13632 714.67864
3750.0000 -241.43050 -232.35387 9.07663 2.56756 -231.94563 741.05934
FREEZING PROCESS: loop number 16 T-loop= 688.00000000000000
main_MD> interactions number 16 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00748 0.99897 -1.76114
force_rgl> df(natom) -0.97270 2.40261 1.40608
3755.0000 -242.74316 -233.60481 9.13835 2.49028 -233.57704 683.02753
3760.0000 -242.86975 -233.75430 9.11545 2.48555 -233.67690 698.23499
3765.0000 -241.94927 -233.10539 8.84388 2.48360 -233.71803 681.27695
3770.0000 -242.31725 -233.14482 9.17243 2.49916 -233.38954 684.46396
3775.0000 -242.76684 -234.56436 8.20248 2.52249 -232.89708 712.68087
3780.0000 -243.03711 -234.73992 8.29719 2.42333 -234.99039 643.80140
3785.0000 -241.83359 -233.18731 8.64627 2.46924 -234.02129 670.63658
3790.0000 -242.52146 -233.55414 8.96732 2.51052 -233.14977 699.77506
3795.0000 -242.73577 -233.02520 9.71056 2.48840 -233.61666 680.92746
3800.0000 -242.09641 -233.18914 8.90726 2.51061 -233.14777 683.89537
3805.0000 -243.09698 -233.88969 9.20729 2.48258 -233.73954 687.81562
3810.0000 -241.77937 -234.49242 7.28695 2.45321 -234.35960 664.42078
3815.0000 -243.16523 -234.65140 8.51383 2.47504 -233.89885 697.80241
3820.0000 -242.81180 -236.25894 6.55286 2.40624 -235.35112 626.83780
3825.0000 -243.24123 -235.24053 8.00070 2.44012 -234.63594 639.93989
3830.0000 -243.05799 -233.51984 9.53816 2.47253 -233.95176 666.60807
3835.0000 -241.88333 -233.45844 8.42489 2.50971 -233.16676 695.84069
3840.0000 -240.36186 -231.47609 8.88577 2.55319 -232.24883 722.26791
3845.0000 -241.30302 -233.01022 8.29281 2.56609 -231.97665 741.04316
3850.0000 -242.41879 -234.27556 8.14323 2.46115 -234.19203 672.78175
3855.0000 -243.47956 -234.09125 9.38831 2.46649 -234.07922 671.96139
3860.0000 -242.10672 -232.46428 9.64244 2.53157 -232.70526 721.56608
3865.0000 -240.81842 -231.68610 9.13232 2.58794 -231.51522 741.65437
3870.0000 -243.35130 -235.35752 7.99378 2.48669 -233.65285 705.79443
3875.0000 -242.56524 -233.35391 9.21133 2.48035 -233.78671 689.43776
3880.0000 -243.25779 -235.12594 8.13185 2.49498 -233.47777 673.07774
3885.0000 -242.89228 -234.33082 8.56146 2.46058 -234.20397 652.96227
3890.0000 -242.79542 -234.73805 8.05737 2.47761 -233.84442 709.01447
3895.0000 -241.15423 -232.04064 9.11360 2.48304 -233.72990 710.04816
3900.0000 -241.53215 -232.54962 8.98254 2.52832 -232.77384 716.21628
3905.0000 -241.16508 -232.42842 8.73667 2.58103 -231.66114 731.68818
3910.0000 -241.30165 -233.11990 8.18175 2.52062 -232.93642 703.56458
3915.0000 -241.86579 -231.50443 10.36137 2.56725 -231.95202 723.37789
3920.0000 -243.50781 -234.04713 9.46068 2.48757 -233.63420 700.89954
3925.0000 -242.32712 -232.65323 9.67389 2.49696 -233.43592 717.65301
3930.0000 -241.19781 -231.85081 9.34700 2.58432 -231.59169 734.44694
3935.0000 -240.66518 -230.66834 9.99684 2.61616 -230.91957 761.78307
3940.0000 -240.78367 -231.68900 9.09467 2.61100 -231.02856 771.46325
3945.0000 -242.16742 -233.03166 9.13576 2.53175 -232.70145 721.63757
3950.0000 -242.62131 -234.40528 8.21603 2.46751 -234.05770 683.95208
3955.0000 -242.73204 -234.91900 7.81304 2.47051 -233.99448 682.53102
3960.0000 -240.81841 -233.66305 7.15536 2.43631 -234.71631 657.70731
3965.0000 -242.36218 -233.22819 9.13399 2.50159 -233.33829 699.58837
3970.0000 -241.41011 -232.96262 8.44749 2.48381 -233.71365 688.26342
3975.0000 -241.95446 -232.26170 9.69276 2.54027 -232.52171 723.09557
3980.0000 -241.68810 -232.33901 9.34909 2.55140 -232.28673 732.50494
3985.0000 -241.84182 -233.09027 8.75155 2.50326 -233.30289 714.51664
3990.0000 -240.70680 -231.48391 9.22289 2.56396 -232.02156 728.39066
3995.0000 -241.28221 -232.77096 8.51125 2.57785 -231.72827 726.94572
4000.0000 -242.20539 -233.94120 8.26418 2.50123 -233.34590 684.50030
FREEZING PROCESS: loop number 17 T-loop= 663.00000000000000
main_MD> interactions number 17 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.20514 -2.77186 -0.41657
force_rgl> df(natom) -0.37849 0.16252 -2.60022
4005.0000 -240.19797 -232.94572 7.25225 2.48316 -233.72736 655.78759
4010.0000 -242.96981 -234.64540 8.32441 2.44047 -234.62853 659.07372
4015.0000 -242.65325 -235.12787 7.52537 2.44967 -234.43432 671.62732
4020.0000 -242.15012 -234.32217 7.82795 2.45263 -234.37185 657.24807
4025.0000 -244.43124 -235.61289 8.81834 2.42517 -234.95157 634.73211
4030.0000 -243.03064 -235.63639 7.39425 2.40412 -235.39593 632.18744
4035.0000 -241.87541 -234.55928 7.31614 2.44070 -234.62377 652.92297
4040.0000 -244.18966 -236.15160 8.03806 2.39973 -235.48858 626.15821
4045.0000 -243.85752 -236.43116 7.42637 2.37106 -236.09380 615.70637
4050.0000 -244.06228 -236.64580 7.41649 2.35905 -236.34735 606.80460
4055.0000 -243.46380 -235.93499 7.52880 2.38126 -235.87853 633.78878
4060.0000 -243.30978 -234.00952 9.30026 2.41708 -235.12233 635.74154
4065.0000 -242.93955 -235.51579 7.42376 2.44118 -234.61348 671.07652
4070.0000 -243.23248 -235.91401 7.31847 2.39810 -235.52308 642.26575
4075.0000 -244.47306 -236.54835 7.92471 2.38634 -235.77133 637.60994
4080.0000 -245.00129 -236.05345 8.94784 2.38778 -235.74084 643.10758
4085.0000 -243.80519 -234.29133 9.51387 2.38792 -235.73791 633.81932
4090.0000 -241.92265 -233.88306 8.03959 2.46581 -234.09356 683.03867
4095.0000 -241.25197 -232.65256 8.59941 2.50764 -233.21060 692.77550
4100.0000 -242.49456 -232.77288 9.72168 2.55038 -232.30815 730.27080
4105.0000 -243.08872 -235.82292 7.26580 2.46778 -234.05201 661.71342
4110.0000 -243.34918 -234.43611 8.91307 2.40191 -235.44252 642.75416
4115.0000 -241.41848 -234.22744 7.19104 2.44190 -234.59830 665.52856
4120.0000 -243.99565 -235.19580 8.79985 2.42920 -234.86640 677.40757
4125.0000 -242.17717 -235.21575 6.96142 2.41830 -235.09668 674.93555
4130.0000 -242.24445 -233.79186 8.45260 2.43789 -234.68301 658.13988
4135.0000 -243.93873 -234.19119 9.74754 2.45955 -234.22580 696.18827
4140.0000 -241.77173 -233.34813 8.42361 2.47096 -233.98485 699.22617
4145.0000 -242.07119 -233.95546 8.11572 2.47958 -233.80292 672.13760
4150.0000 -242.78452 -234.31582 8.46871 2.45595 -234.30177 674.79335
4155.0000 -244.01728 -236.78880 7.22848 2.40151 -235.45108 645.95228
4160.0000 -244.95577 -236.96792 7.98786 2.33444 -236.86689 588.32324
4165.0000 -242.69387 -234.79845 7.89542 2.40091 -235.46381 633.56908
4170.0000 -242.95724 -234.49254 8.46470 2.48082 -233.77679 689.24743
4175.0000 -245.04577 -237.53513 7.51064 2.41831 -235.09637 666.52156
4180.0000 -244.06525 -236.91869 7.14657 2.32102 -237.15036 595.17719
4185.0000 -243.81466 -236.76424 7.05042 2.32238 -237.12151 593.94392
4190.0000 -243.12366 -234.80186 8.32180 2.37622 -235.98495 636.18724
4195.0000 -242.35143 -233.59441 8.75702 2.48768 -233.63193 679.42931
4200.0000 -242.54945 -234.37343 8.17602 2.48115 -233.76975 693.76350
4205.0000 -242.98707 -234.05330 8.93378 2.48101 -233.77282 683.49262
4210.0000 -243.70941 -235.92603 7.78338 2.42507 -234.95368 661.61988
4215.0000 -243.83687 -236.19838 7.63849 2.36631 -236.19407 618.91776
4220.0000 -242.65755 -234.31211 8.34544 2.45300 -234.36414 689.65744
4225.0000 -242.25787 -233.47485 8.78302 2.44418 -234.55029 660.88365
4230.0000 -242.16427 -233.02691 9.13736 2.47541 -233.89089 683.46609
4235.0000 -243.68879 -235.24785 8.44095 2.44837 -234.46178 665.22396
4240.0000 -243.29772 -233.86133 9.43638 2.45786 -234.26144 691.40303
4245.0000 -243.76935 -235.80047 7.96888 2.43833 -234.67366 651.39616
4250.0000 -243.86181 -235.11079 8.75102 2.36333 -236.25704 600.44190
FREEZING PROCESS: loop number 18 T-loop= 638.00000000000000
main_MD> interactions number 18 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.25424 4.39207 1.63859
force_rgl> df(natom) 1.04677 0.95423 -0.44241
4255.0000 -244.09838 -235.82437 8.27401 2.40694 -235.33650 650.55447
4260.0000 -244.85979 -237.75179 7.10800 2.34437 -236.65736 611.41733
4265.0000 -243.72523 -236.89030 6.83494 2.33856 -236.78011 586.45447
4270.0000 -243.70061 -234.98269 8.71792 2.36739 -236.17128 610.20062
4275.0000 -244.20750 -235.90871 8.29880 2.40876 -235.29801 658.23681
4280.0000 -243.73849 -236.86818 6.87031 2.36106 -236.30494 626.73038
4285.0000 -244.81841 -236.76941 8.04900 2.38110 -235.88204 628.08136
4290.0000 -243.40811 -235.35537 8.05274 2.36469 -236.22832 612.72853
4295.0000 -243.59942 -234.95906 8.64036 2.44090 -234.61942 655.54986
4300.0000 -243.84841 -234.62922 9.21919 2.42643 -234.92494 655.94911
4305.0000 -243.55086 -235.06166 8.48920 2.41759 -235.11164 644.48935
4310.0000 -243.30515 -236.19267 7.11249 2.39412 -235.60710 651.77169
4315.0000 -244.58552 -236.20754 8.37798 2.39204 -235.65107 644.24614
4320.0000 -243.91477 -235.63645 8.27833 2.37372 -236.03767 616.01942
4325.0000 -243.10708 -236.14104 6.96604 2.38796 -235.73718 612.20863
4330.0000 -244.55589 -236.45721 8.09868 2.36438 -236.23492 621.14084
4335.0000 -244.66827 -236.80424 7.86404 2.37842 -235.93861 647.07259
4340.0000 -245.36666 -237.03636 8.33029 2.32129 -237.14454 619.00382
4345.0000 -244.40714 -237.73531 6.67182 2.30190 -237.55390 595.54966
4350.0000 -245.06585 -236.24323 8.82261 2.35505 -236.43181 630.26631
4355.0000 -244.44166 -236.18883 8.25282 2.36738 -236.17165 643.07029
4360.0000 -243.47387 -234.43522 9.03865 2.41795 -235.10400 651.00442
4365.0000 -242.61459 -235.19253 7.42205 2.42201 -235.01822 645.06030
4370.0000 -242.90309 -233.52343 9.37965 2.45022 -234.42275 659.57301
4375.0000 -242.33138 -234.14701 8.18437 2.47757 -233.84534 664.94152
4380.0000 -241.97541 -234.67265 7.30277 2.47849 -233.82596 683.88438
4385.0000 -242.45108 -234.43508 8.01600 2.43744 -234.69261 642.19084
4390.0000 -243.68776 -234.96397 8.72379 2.41932 -235.07500 644.12659
4395.0000 -243.38874 -233.95715 9.43159 2.42952 -234.85976 655.79842
4400.0000 -243.63577 -234.89063 8.74515 2.41883 -235.08542 645.44964
4405.0000 -243.62048 -235.73026 7.89022 2.39004 -235.69326 639.85621
4410.0000 -243.88220 -235.84778 8.03442 2.38705 -235.75628 636.87174
4415.0000 -244.32730 -236.54388 7.78342 2.34206 -236.70615 614.34634
4420.0000 -244.64599 -236.25156 8.39443 2.37010 -236.11409 610.95729
4425.0000 -241.29673 -233.06328 8.23345 2.46669 -234.07512 672.40369
4430.0000 -244.26216 -236.64500 7.61716 2.42636 -234.92652 645.17822
4435.0000 -242.51366 -235.16163 7.35203 2.38366 -235.82792 638.16595
4440.0000 -244.77101 -237.21178 7.55923 2.33904 -236.76993 628.51415
4445.0000 -243.97162 -235.59351 8.37811 2.35164 -236.50394 612.99297
4450.0000 -242.98902 -235.02993 7.95909 2.40580 -235.36053 652.05581
4455.0000 -241.73973 -234.15889 7.58085 2.41000 -235.27184 645.30422
4460.0000 -243.76887 -236.20818 7.56069 2.42293 -234.99878 651.22519
4465.0000 -244.45902 -235.03653 9.42249 2.40904 -235.29216 632.89628
4470.0000 -244.39624 -235.21781 9.17843 2.40764 -235.32166 653.25035
4475.0000 -242.75553 -234.68182 8.07371 2.42332 -234.99066 656.35294
4480.0000 -244.32912 -235.29988 9.02924 2.42913 -234.86803 652.76465
4485.0000 -243.07318 -235.52946 7.54372 2.39423 -235.60478 623.93543
4490.0000 -243.88635 -236.08250 7.80385 2.35820 -236.36539 596.26141
4495.0000 -246.03132 -238.33653 7.69479 2.30654 -237.45590 580.99846
4500.0000 -245.38269 -237.05499 8.32769 2.29851 -237.62555 588.59380
FREEZING PROCESS: loop number 19 T-loop= 613.00000000000000
main_MD> interactions number 19 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71363 1.19641 0.23136
force_rgl> df(natom) 0.07575 -0.75728 -0.37898
4505.0000 -243.54753 -236.35191 7.19562 2.34530 -236.63780 602.50126
4510.0000 -243.50057 -236.18087 7.31970 2.37096 -236.09591 613.25619
4515.0000 -243.87864 -236.17918 7.69946 2.35106 -236.51618 598.98512
4520.0000 -243.91873 -236.11194 7.80678 2.35962 -236.33543 614.68165
4525.0000 -242.77428 -235.36773 7.40655 2.38034 -235.89808 611.95496
4530.0000 -243.68163 -234.44691 9.23472 2.42779 -234.89625 638.79467
4535.0000 -244.14818 -235.77267 8.37551 2.42947 -234.86076 650.89717
4540.0000 -244.17244 -236.26844 7.90399 2.39284 -235.63405 653.40226
4545.0000 -243.56136 -236.47053 7.09083 2.32321 -237.10397 593.48152
4550.0000 -243.33200 -235.86525 7.46676 2.37440 -236.02335 600.23243
4555.0000 -243.88718 -235.56470 8.32248 2.35310 -236.47315 597.29671
4560.0000 -243.75301 -236.18088 7.57213 2.37838 -235.93929 614.15357
4565.0000 -244.34543 -236.32705 8.01837 2.36917 -236.13384 617.94366
4570.0000 -244.43733 -236.88965 7.54768 2.38616 -235.77505 651.68839
4575.0000 -245.13226 -238.32611 6.80615 2.31451 -237.28768 588.04777
4580.0000 -245.54550 -238.16896 7.37654 2.26111 -238.41510 553.07081
4585.0000 -244.17182 -237.28576 6.88606 2.30648 -237.45735 587.66584
4590.0000 -245.74764 -237.90697 7.84067 2.31314 -237.31671 603.77529
4595.0000 -245.11576 -238.12667 6.98909 2.29649 -237.66825 609.61023
4600.0000 -245.97479 -237.19550 8.77928 2.30119 -237.56903 609.32164
4605.0000 -245.89958 -237.79149 8.10809 2.27816 -238.05504 609.49622
4610.0000 -246.35905 -238.90394 7.45511 2.27609 -238.09890 608.74968
4615.0000 -245.73948 -239.00052 6.73897 2.26239 -238.38808 594.75135
4620.0000 -244.63404 -237.08610 7.54794 2.28332 -237.94623 610.08802
4625.0000 -246.05364 -239.24933 6.80431 2.30192 -237.55347 600.11319
4630.0000 -245.52826 -238.52582 7.00244 2.26110 -238.41539 584.99687
4635.0000 -243.69360 -236.07234 7.62126 2.31472 -237.28325 597.28145
4640.0000 -244.51527 -237.87827 6.63700 2.34424 -236.66000 602.12722
4645.0000 -244.35759 -235.21913 9.13846 2.34825 -236.57551 595.06181
4650.0000 -244.88992 -236.45430 8.43562 2.38493 -235.80115 625.14531
4655.0000 -243.65426 -235.41009 8.24417 2.36242 -236.27628 612.16398
4660.0000 -244.29258 -236.71139 7.58119 2.34487 -236.64688 612.97549
4665.0000 -244.99314 -237.12249 7.87064 2.34649 -236.61258 598.43554
4670.0000 -244.76247 -237.60689 7.15559 2.33320 -236.89310 593.17905
4675.0000 -243.80891 -236.48741 7.32150 2.36120 -236.30200 619.52506
4680.0000 -243.30996 -235.71271 7.59725 2.37278 -236.05759 619.13123
4685.0000 -243.22647 -235.81344 7.41304 2.41171 -235.23564 666.50844
4690.0000 -242.80452 -234.39972 8.40480 2.42246 -235.00878 663.74680
4695.0000 -243.77339 -236.27237 7.50102 2.42503 -234.95451 639.44399
4700.0000 -243.63396 -235.84591 7.78806 2.35735 -236.38333 615.17010
4705.0000 -244.58918 -237.49009 7.09909 2.35235 -236.48882 606.20922
4710.0000 -244.70016 -237.71735 6.98281 2.30885 -237.40727 564.81550
4715.0000 -243.86895 -236.35259 7.51636 2.33743 -236.80387 597.10141
4720.0000 -242.08617 -232.89220 9.19397 2.39446 -235.59991 635.46384
4725.0000 -243.95351 -234.85934 9.09417 2.47572 -233.88429 702.85520
4730.0000 -243.29830 -235.57917 7.71913 2.40667 -235.34216 653.78751
4735.0000 -243.63154 -236.50553 7.12601 2.37511 -236.00829 625.00526
4740.0000 -243.72937 -236.32164 7.40773 2.34706 -236.60067 607.58297
4745.0000 -245.02184 -237.02779 7.99405 2.33813 -236.78903 607.81009
4750.0000 -245.31129 -236.66477 8.64652 2.34327 -236.68062 598.28375
FREEZING PROCESS: loop number 20 T-loop= 588.00000000000000
main_MD> interactions number 20 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.50731 3.48116 7.65553
force_rgl> df(natom) -0.92828 0.87714 0.65305
4755.0000 -244.61459 -236.63491 7.97967 2.33498 -236.85554 597.16524
4760.0000 -242.05167 -234.27640 7.77527 2.40412 -235.39587 629.86282
4765.0000 -243.03126 -234.74655 8.28470 2.45145 -234.39675 658.53857
4770.0000 -244.88323 -236.24191 8.64132 2.41647 -235.13521 620.37288
4775.0000 -244.09736 -236.57623 7.52113 2.34369 -236.67180 597.91243
4780.0000 -244.16096 -236.92341 7.23755 2.36631 -236.19409 622.30188
4785.0000 -244.97094 -237.17985 7.79110 2.30501 -237.48826 590.01588
4790.0000 -243.69303 -235.39067 8.30236 2.36637 -236.19296 620.81425
4795.0000 -244.83041 -236.56553 8.26488 2.37677 -235.97333 631.17710
4800.0000 -244.57367 -236.93559 7.63808 2.32850 -236.99237 611.50036
4805.0000 -244.55324 -236.65306 7.90018 2.34856 -236.56900 614.34041
4810.0000 -246.24701 -236.83027 9.41674 2.31472 -237.28325 598.68740
4815.0000 -244.54879 -237.01856 7.53023 2.29862 -237.62310 571.32142
4820.0000 -244.87006 -237.38912 7.48094 2.33471 -236.86126 594.85464
4825.0000 -245.26912 -238.31002 6.95911 2.26423 -238.34920 571.12918
4830.0000 -245.93645 -238.18835 7.74811 2.29158 -237.77190 568.34131
4835.0000 -245.81037 -238.99953 6.81084 2.28240 -237.96561 566.75448
4840.0000 -245.31962 -237.47093 7.84869 2.28645 -237.88022 590.00804
4845.0000 -244.44010 -238.52437 5.91573 2.29016 -237.80189 558.85529
4850.0000 -245.05080 -238.55950 6.49129 2.26451 -238.34338 534.27535
4855.0000 -243.62958 -235.99686 7.63272 2.29367 -237.72762 566.28437
4860.0000 -244.57899 -236.46786 8.11113 2.36652 -236.18975 616.87992
4865.0000 -243.88832 -236.57544 7.31287 2.37036 -236.10862 628.91874
4870.0000 -244.92233 -238.05861 6.86372 2.32580 -237.04933 611.60795
4875.0000 -244.70145 -238.01433 6.68712 2.26761 -238.27777 570.72764
4880.0000 -245.40906 -237.13851 8.27055 2.33317 -236.89375 619.22051
4885.0000 -245.89773 -237.92595 7.97179 2.31730 -237.22892 614.99268
4890.0000 -246.08859 -238.86342 7.22517 2.27023 -238.22256 566.14793
4895.0000 -243.52282 -237.02104 6.50178 2.29692 -237.65912 586.04421
4900.0000 -245.64056 -239.60390 6.03666 2.25257 -238.59533 535.24748
4905.0000 -245.83504 -239.23298 6.60206 2.22156 -239.25013 526.73944
4910.0000 -245.37296 -237.57544 7.79751 2.28149 -237.98477 573.87889
4915.0000 -245.15692 -237.53991 7.61700 2.29735 -237.65007 596.79951
4920.0000 -244.28102 -236.67446 7.60657 2.30023 -237.58929 567.39184
4925.0000 -244.57359 -237.61607 6.95751 2.33677 -236.81773 609.16489
4930.0000 -244.01176 -235.66969 8.34207 2.35971 -236.33342 603.65258
4935.0000 -244.72588 -237.15106 7.57481 2.33656 -236.82214 600.52006
4940.0000 -245.11943 -237.39917 7.72026 2.30371 -237.51571 582.37315
4945.0000 -244.67375 -237.25770 7.41605 2.31124 -237.35669 588.00256
4950.0000 -245.96644 -238.16912 7.79732 2.34860 -236.56810 603.27192
4955.0000 -244.87186 -237.74506 7.12680 2.29929 -237.60912 568.77921
4960.0000 -244.69471 -237.11974 7.57497 2.30631 -237.46090 578.74175
4965.0000 -245.31833 -238.21819 7.10014 2.28784 -237.85086 576.98283
4970.0000 -245.79334 -239.00886 6.78447 2.25942 -238.45077 571.92631
4975.0000 -244.76991 -237.64286 7.12704 2.25221 -238.60302 541.80863
4980.0000 -244.90572 -237.88375 7.02197 2.31129 -237.35574 591.98228
4985.0000 -245.74462 -237.75451 7.99011 2.27162 -238.19320 558.85769
4990.0000 -246.09858 -236.69234 9.40625 2.32492 -237.06796 595.01711
4995.0000 -244.72504 -236.59907 8.12596 2.34263 -236.69410 615.36620
5000.0000 -244.43092 -236.71809 7.71283 2.32532 -237.05944 594.61525
FREEZING PROCESS: loop number 21 T-loop= 563.00000000000000
main_MD> interactions number 21 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39821 0.35245 -2.05297
force_rgl> df(natom) 1.31491 -1.33476 -2.06556
5005.0000 -245.31986 -238.43705 6.88281 2.28574 -237.89513 569.51551
5010.0000 -244.85205 -237.96966 6.88239 2.28394 -237.93313 555.20326
5015.0000 -244.86283 -237.70970 7.15313 2.27104 -238.20555 577.11153
5020.0000 -245.85472 -238.28521 7.56952 2.27761 -238.06678 565.63220
5025.0000 -246.29935 -238.74341 7.55593 2.24757 -238.70085 540.96461
5030.0000 -244.40379 -238.13174 6.27205 2.24351 -238.78656 536.44276
5035.0000 -245.01766 -238.58413 6.43353 2.23385 -238.99056 528.20021
5040.0000 -246.09588 -239.73927 6.35662 2.25043 -238.64062 535.22223
5045.0000 -244.70692 -238.53390 6.17303 2.23124 -239.04558 536.50246
5050.0000 -244.86461 -238.55213 6.31249 2.24628 -238.72815 544.03016
5055.0000 -244.86907 -238.37301 6.49606 2.24565 -238.74156 542.50514
5060.0000 -245.89972 -238.88695 7.01276 2.28347 -237.94299 585.45241
5065.0000 -244.92350 -238.27027 6.65323 2.21633 -239.36043 546.52675
5070.0000 -247.26109 -238.95154 8.30955 2.25987 -238.44133 590.05130
5075.0000 -246.57742 -239.33315 7.24428 2.19448 -239.82177 546.90189
5080.0000 -247.07547 -239.49308 7.58239 2.21040 -239.48558 570.85515
5085.0000 -246.73717 -238.82558 7.91159 2.21093 -239.47443 580.22884
5090.0000 -247.28803 -239.57117 7.71686 2.25678 -238.50652 580.78596
5095.0000 -246.75910 -239.37923 7.37987 2.20418 -239.61685 571.34748
5100.0000 -246.52493 -239.81355 6.71138 2.17945 -240.13912 556.36473
5105.0000 -246.48893 -239.70665 6.78229 2.23369 -238.99386 587.36853
5110.0000 -246.92152 -240.08310 6.83842 2.18742 -239.97085 552.00275
5115.0000 -246.79931 -239.75199 7.04732 2.16364 -240.47279 537.43406
5120.0000 -246.96643 -239.76282 7.20361 2.20768 -239.54298 579.03644
5125.0000 -245.97288 -239.36263 6.61025 2.23381 -238.99148 585.99026
5130.0000 -246.07500 -238.60337 7.47163 2.22999 -239.07215 590.32949
5135.0000 -247.36044 -240.11415 7.24629 2.20611 -239.57610 568.81555
5140.0000 -247.10864 -240.06697 7.04167 2.15515 -240.65206 532.48068
5145.0000 -247.12103 -240.45697 6.66406 2.19160 -239.88251 565.99033
5150.0000 -247.00104 -240.41426 6.58678 2.18371 -240.04912 538.71832
5155.0000 -248.29973 -241.54615 6.75358 2.13649 -241.04596 517.17861
5160.0000 -245.78096 -239.49205 6.28891 2.20264 -239.64940 576.33159
5165.0000 -244.79289 -239.13845 5.65444 2.23249 -239.01927 574.83264
5170.0000 -245.89291 -238.81590 7.07701 2.23810 -238.90083 554.55726
5175.0000 -245.48330 -239.18051 6.30279 2.26111 -238.41511 585.20901
5180.0000 -245.67271 -239.36573 6.30698 2.23927 -238.87613 569.52487
5185.0000 -247.21368 -239.30664 7.90704 2.22332 -239.21282 551.98133
5190.0000 -243.60713 -237.15344 6.45370 2.28449 -237.92159 559.38577
5195.0000 -245.13021 -237.79529 7.33492 2.31294 -237.32081 583.76317
5200.0000 -244.84820 -237.45433 7.39387 2.29332 -237.73506 579.23887
5205.0000 -244.63784 -236.99261 7.64524 2.33344 -236.88815 604.03379
5210.0000 -245.46986 -237.62387 7.84599 2.34041 -236.74086 639.18741
5215.0000 -245.34419 -237.84945 7.49474 2.29035 -237.79778 595.92090
5220.0000 -245.60627 -237.64534 7.96093 2.29443 -237.71159 615.37591
5225.0000 -244.68383 -238.15092 6.53291 2.29811 -237.63403 609.09383
5230.0000 -244.14720 -237.25375 6.89345 2.30450 -237.49902 606.95776
5235.0000 -246.29378 -240.35351 5.94028 2.24260 -238.80595 576.08883
5240.0000 -247.01964 -241.11359 5.90604 2.17242 -240.28752 518.32751
5245.0000 -246.76814 -239.43473 7.33342 2.14551 -240.85565 490.98856
5250.0000 -246.05762 -239.48276 6.57486 2.20400 -239.62084 542.70174
FREEZING PROCESS: loop number 22 T-loop= 538.00000000000000
main_MD> interactions number 22 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34712 1.10146 -1.21880
force_rgl> df(natom) -4.33093 2.20215 -1.18900
5255.0000 -246.86077 -240.38449 6.47629 2.19325 -239.84763 542.96572
5260.0000 -246.72231 -240.44275 6.27955 2.17215 -240.29312 524.61986
5265.0000 -247.27497 -239.81463 7.46034 2.17234 -240.28916 515.68610
5270.0000 -246.28799 -240.12887 6.15912 2.18336 -240.05647 544.07603
5275.0000 -246.70758 -240.06956 6.63801 2.20637 -239.57070 571.22911
5280.0000 -246.21166 -239.56625 6.64541 2.20267 -239.64873 543.90159
5285.0000 -246.06385 -238.29596 7.76789 2.21959 -239.29155 582.17596
5290.0000 -246.20914 -238.41189 7.79726 2.27837 -238.05074 625.56849
5295.0000 -246.15951 -239.35503 6.80448 2.22579 -239.16064 563.12610
5300.0000 -247.06106 -239.46776 7.59330 2.23455 -238.97571 574.72290
5305.0000 -247.19589 -239.36045 7.83544 2.23417 -238.98373 591.24258
5310.0000 -246.66524 -239.91123 6.75401 2.19473 -239.81647 563.64769
5315.0000 -247.09071 -241.40865 5.68205 2.12674 -241.25187 508.89307
5320.0000 -247.47139 -240.99825 6.47314 2.12133 -241.36599 507.20960
5325.0000 -246.69341 -239.61056 7.08284 2.14819 -240.79902 529.56580
5330.0000 -246.25953 -239.73115 6.52838 2.19567 -239.79660 548.66148
5335.0000 -247.57668 -241.39368 6.18300 2.14475 -240.87151 522.38567
5340.0000 -247.42033 -240.67053 6.74980 2.11618 -241.47468 507.63798
5345.0000 -246.49825 -239.11296 7.38529 2.13049 -241.17264 515.51091
5350.0000 -246.79415 -240.04528 6.74887 2.21244 -239.44253 576.77308
5355.0000 -247.03771 -240.15192 6.88579 2.17732 -240.18402 522.92019
5360.0000 -246.56745 -240.58084 5.98662 2.15305 -240.69633 508.11675
5365.0000 -246.74698 -239.92755 6.81943 2.17174 -240.30172 521.24050
5370.0000 -246.47653 -239.89619 6.58034 2.21143 -239.46395 551.31959
5375.0000 -247.23903 -241.38453 5.85451 2.16554 -240.43269 495.80368
5380.0000 -246.56604 -239.54696 7.01908 2.20399 -239.62098 536.25670
5385.0000 -248.34531 -241.30999 7.03532 2.17879 -240.15293 544.28154
5390.0000 -247.12668 -240.15995 6.96673 2.14281 -240.91248 517.83091
5395.0000 -246.47913 -239.90670 6.57243 2.17959 -240.13606 531.83177
5400.0000 -246.57708 -240.07900 6.49808 2.22302 -239.21926 561.02519
5405.0000 -247.34460 -240.53660 6.80800 2.15752 -240.60198 515.75706
5410.0000 -247.25655 -240.40514 6.85141 2.17099 -240.31757 530.58942
5415.0000 -246.62298 -239.96257 6.66041 2.16240 -240.49900 520.05330
5420.0000 -246.36456 -240.06350 6.30105 2.16629 -240.41675 514.49075
5425.0000 -247.76239 -240.97222 6.79016 2.17517 -240.22940 517.49140
5430.0000 -246.53626 -240.34228 6.19398 2.16546 -240.43439 501.69918
5435.0000 -246.92141 -239.46581 7.45560 2.21433 -239.40272 534.48572
5440.0000 -247.67069 -241.17614 6.49456 2.16575 -240.42835 529.09374
5445.0000 -248.40148 -241.66004 6.74143 2.09887 -241.84008 511.76794
5450.0000 -247.18266 -242.06769 5.11497 2.10158 -241.78288 513.08556
5455.0000 -248.25224 -241.45816 6.79408 2.13244 -241.13157 529.17928
5460.0000 -247.44992 -240.46645 6.98347 2.15944 -240.56142 549.38434
5465.0000 -245.45795 -239.54250 5.91544 2.16963 -240.34640 545.14428
5470.0000 -247.53015 -239.83219 7.69796 2.18991 -239.91824 549.04875
5475.0000 -248.01665 -241.37053 6.64611 2.16561 -240.43118 536.51449
5480.0000 -246.75249 -240.19354 6.55895 2.15011 -240.75845 529.83414
5485.0000 -247.48830 -240.16960 7.31870 2.16330 -240.47996 554.62533
5490.0000 -246.03276 -240.06520 5.96756 2.17695 -240.19176 542.70873
5495.0000 -247.12775 -240.46019 6.66756 2.18685 -239.98277 552.53782
5500.0000 -246.32748 -239.68229 6.64519 2.16632 -240.41616 544.36444
FREEZING PROCESS: loop number 23 T-loop= 513.00000000000000
main_MD> interactions number 23 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20693 0.63644 -0.90299
force_rgl> df(natom) 1.70284 -1.72635 2.23710
5505.0000 -247.41740 -241.01529 6.40211 2.14641 -240.83655 538.31190
5510.0000 -247.53269 -241.51783 6.01487 2.13320 -241.11532 524.31684
5515.0000 -247.84282 -242.20340 5.63941 2.10483 -241.71438 497.70457
5520.0000 -247.87623 -241.70445 6.17178 2.11288 -241.54449 502.88022
5525.0000 -247.58363 -241.47714 6.10650 2.13083 -241.16545 514.55255
5530.0000 -246.91274 -241.38594 5.52680 2.11251 -241.55231 494.08662
5535.0000 -247.90504 -241.76570 6.13934 2.11465 -241.50710 492.87022
5540.0000 -247.02371 -240.90224 6.12147 2.12899 -241.20430 507.35647
5545.0000 -247.90916 -242.08836 5.82080 2.13456 -241.08670 508.11113
5550.0000 -247.84076 -242.80379 5.03697 2.07262 -242.39441 459.15899
5555.0000 -247.99557 -242.41236 5.58320 2.06117 -242.63618 452.07636
5560.0000 -246.09031 -240.11795 5.97236 2.13068 -241.16854 502.63278
5565.0000 -247.26711 -240.64122 6.62589 2.17538 -240.22500 537.73419
5570.0000 -247.27046 -240.62607 6.64439 2.14356 -240.89667 527.20513
5575.0000 -245.76187 -239.40915 6.35272 2.20164 -239.67062 548.85227
5580.0000 -245.83329 -238.74851 7.08478 2.22578 -239.16105 555.09515
5585.0000 -244.98056 -238.07433 6.90624 2.27189 -238.18753 577.91793
5590.0000 -247.14667 -239.81218 7.33449 2.24139 -238.83150 571.95024
5595.0000 -246.60235 -239.83821 6.76413 2.17268 -240.28198 531.58467
5600.0000 -245.43626 -238.26133 7.17494 2.20961 -239.50229 534.62784
5605.0000 -245.70466 -239.40862 6.29604 2.21964 -239.29061 525.07739
5610.0000 -245.86808 -238.29750 7.57058 2.22921 -239.08861 526.28179
5615.0000 -245.72014 -238.56461 7.15553 2.24352 -238.78644 542.41550
5620.0000 -246.46730 -239.52051 6.94679 2.26012 -238.43607 561.51362
5625.0000 -247.33707 -240.41459 6.92248 2.20606 -239.57731 529.37853
5630.0000 -246.19418 -238.75523 7.43895 2.22901 -239.09280 574.52663
5635.0000 -247.67419 -240.91508 6.75911 2.17896 -240.14930 542.02602
5640.0000 -247.88593 -242.65338 5.23255 2.07851 -242.26999 463.05732
5645.0000 -247.93311 -241.79020 6.14291 2.09961 -241.82445 479.47353
5650.0000 -248.04169 -241.68366 6.35803 2.13019 -241.17901 512.96281
5655.0000 -247.79331 -241.78013 6.01318 2.11418 -241.51695 498.58699
5660.0000 -248.50170 -241.86242 6.63929 2.09094 -242.00753 485.25780
5665.0000 -247.86292 -241.61490 6.24803 2.09583 -241.90436 498.01561
5670.0000 -248.43662 -241.64170 6.79492 2.09391 -241.94488 498.28915
5675.0000 -247.74708 -241.37804 6.36904 2.15869 -240.57720 536.85889
5680.0000 -247.95818 -241.51588 6.44230 2.11494 -241.50095 512.82163
5685.0000 -248.02993 -241.57356 6.45637 2.10397 -241.73259 515.11233
5690.0000 -248.86092 -242.57582 6.28511 2.12316 -241.32736 527.48326
5695.0000 -247.52479 -241.15673 6.36806 2.08749 -242.08052 505.40109
5700.0000 -248.69560 -241.53505 7.16055 2.11049 -241.59481 512.34253
5705.0000 -248.40484 -241.72749 6.67735 2.12141 -241.36435 520.89401
5710.0000 -248.40437 -241.43998 6.96439 2.10045 -241.80677 505.48782
5715.0000 -246.81599 -239.91222 6.90377 2.16174 -240.51288 557.65110
5720.0000 -247.54013 -240.61077 6.92935 2.16054 -240.53815 543.12273
5725.0000 -248.36053 -241.98846 6.37206 2.11965 -241.40140 517.27467
5730.0000 -248.75413 -241.48444 7.26969 2.09835 -241.85105 498.68376
5735.0000 -248.41170 -241.93111 6.48058 2.09689 -241.88208 498.02608
5740.0000 -248.46856 -241.98432 6.48424 2.09060 -242.01483 500.19419
5745.0000 -248.10655 -242.13311 5.97345 2.10768 -241.65420 500.47642
5750.0000 -246.87224 -240.94936 5.92288 2.11009 -241.60337 503.76478
FREEZING PROCESS: loop number 24 T-loop= 488.00000000000000
main_MD> interactions number 24 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.96295 -1.67241 0.63481
force_rgl> df(natom) -0.16214 -1.22884 1.08243
5755.0000 -248.05673 -241.42634 6.63039 2.15260 -240.70581 515.94717
5760.0000 -248.93390 -242.85140 6.08249 2.06535 -242.54787 476.38523
5765.0000 -247.97722 -242.34823 5.62899 2.06171 -242.62477 466.47125
5770.0000 -249.15769 -243.55307 5.60462 2.05305 -242.80748 458.36010
5775.0000 -247.44490 -240.05463 7.39027 2.08104 -242.21669 488.66989
5780.0000 -247.01952 -239.51109 7.50843 2.18549 -240.01159 563.32874
5785.0000 -247.65521 -240.83276 6.82246 2.16523 -240.43929 534.70253
5790.0000 -248.42739 -242.58534 5.84204 2.10357 -241.74104 498.93073
5795.0000 -248.94101 -242.39703 6.54398 2.07963 -242.24631 465.43314
5800.0000 -247.38081 -242.02610 5.35471 2.04053 -243.07175 442.46439
5805.0000 -248.07925 -242.69875 5.38050 2.06874 -242.47622 465.07675
5810.0000 -247.53220 -241.55138 5.98082 2.06824 -242.48691 462.97179
5815.0000 -248.49053 -241.08769 7.40284 2.09814 -241.85556 492.80683
5820.0000 -248.49371 -242.67369 5.82002 2.08985 -242.03069 496.36044
5825.0000 -248.00213 -242.50222 5.49991 2.03693 -243.14782 450.32684
5830.0000 -248.08223 -241.63782 6.44441 2.05832 -242.69624 470.07743
5835.0000 -248.15650 -241.77002 6.38648 2.11797 -241.43693 502.27170
5840.0000 -246.79773 -240.22070 6.57703 2.13758 -241.02287 500.05865
5845.0000 -246.49521 -241.13560 5.35961 2.14212 -240.92714 497.71975
5850.0000 -246.94083 -241.17974 5.76109 2.13945 -240.98347 494.45055
5855.0000 -248.23928 -242.49719 5.74209 2.08594 -242.11312 448.73878
5860.0000 -247.15459 -241.52444 5.63015 2.11250 -241.55237 469.23395
5865.0000 -247.90310 -241.98812 5.91498 2.12784 -241.22857 498.62145
5870.0000 -247.08437 -240.36069 6.72368 2.12038 -241.38597 501.05919
5875.0000 -248.66616 -242.99164 5.67452 2.11673 -241.46315 499.28677
5880.0000 -249.20302 -241.63549 7.56753 2.09045 -242.01801 494.66824
5885.0000 -247.20651 -241.02686 6.17965 2.11497 -241.50038 502.31033
5890.0000 -246.92577 -240.69584 6.22994 2.12621 -241.26289 505.53113
5895.0000 -249.88340 -243.88874 5.99467 2.09371 -241.94907 489.89527
5900.0000 -248.18398 -241.92985 6.25413 2.04577 -242.96115 462.85986
5905.0000 -247.76836 -240.87033 6.89803 2.13428 -241.09255 531.38603
5910.0000 -247.94860 -241.95841 5.99019 2.12033 -241.38707 491.92950
5915.0000 -247.82976 -242.36981 5.45995 2.08150 -242.20692 484.62804
5920.0000 -249.50072 -243.86574 5.63498 2.03646 -243.15776 442.90913
5925.0000 -249.36025 -244.22378 5.13647 2.00685 -243.78276 435.45106
5930.0000 -249.37183 -243.96977 5.40206 1.99933 -243.94162 435.68294
5935.0000 -248.64189 -242.07719 6.56470 2.04262 -243.02773 461.66480
5940.0000 -247.97986 -242.02221 5.95765 2.07879 -242.26401 475.81108
5945.0000 -248.68141 -242.92097 5.76044 2.07245 -242.39792 475.86237
5950.0000 -247.98104 -242.24391 5.73713 2.08213 -242.19358 486.88065
5955.0000 -248.25373 -242.46297 5.79077 2.07852 -242.26982 485.58062
5960.0000 -247.67623 -240.99534 6.68088 2.06532 -242.54835 485.13800
5965.0000 -248.34641 -241.60664 6.73977 2.13127 -241.15623 515.84668
5970.0000 -248.20813 -243.08821 5.11992 2.09529 -241.91577 465.72505
5975.0000 -248.34385 -242.94372 5.40013 2.03439 -243.20133 428.38463
5980.0000 -247.64133 -241.68158 5.95975 2.08224 -242.19131 469.38769
5985.0000 -247.32202 -241.56966 5.75236 2.10230 -241.76773 487.57467
5990.0000 -248.46429 -242.16825 6.29604 2.09999 -241.81651 491.63852
5995.0000 -249.11524 -243.20294 5.91230 2.07443 -242.35621 477.86151
6000.0000 -248.87924 -242.77237 6.10687 2.05187 -242.83231 465.76368
FREEZING PROCESS: loop number 25 T-loop= 463.00000000000000
main_MD> interactions number 25 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37757 0.02060 0.03402
force_rgl> df(natom) -1.77586 -3.55107 2.08498
6005.0000 -248.16900 -241.89238 6.27662 2.08072 -242.22334 487.92121
6010.0000 -248.74990 -242.08494 6.66496 2.11491 -241.50150 511.73660
6015.0000 -249.19376 -243.04505 6.14871 2.08576 -242.11689 490.16501
6020.0000 -247.98105 -242.22149 5.75956 2.05890 -242.68407 452.45874
6025.0000 -247.71179 -242.12300 5.58879 2.09010 -242.02539 480.43417
6030.0000 -248.33561 -242.62404 5.71156 2.06423 -242.57150 465.58473
6035.0000 -248.39834 -242.54910 5.84924 2.08256 -242.18445 484.65243
6040.0000 -248.77368 -242.84842 5.92526 2.07775 -242.28603 481.81347
6045.0000 -248.05351 -242.50996 5.54355 2.05223 -242.82489 465.37286
6050.0000 -248.98112 -243.47861 5.50251 2.04742 -242.92644 460.38804
6055.0000 -248.64015 -242.55879 6.08137 2.06151 -242.62880 466.89726
6060.0000 -248.31446 -242.86773 5.44673 2.05978 -242.66536 474.53542
6065.0000 -247.90351 -242.77734 5.12617 2.07498 -242.34444 483.19061
6070.0000 -249.40593 -243.47143 5.93450 2.04219 -243.03683 460.52234
6075.0000 -248.92393 -243.61420 5.30972 2.01207 -243.67271 437.35310
6080.0000 -248.14207 -241.84648 6.29559 2.05568 -242.75194 463.71105
6085.0000 -247.26443 -241.69995 5.56449 2.10652 -241.67875 487.78321
6090.0000 -248.42443 -242.10787 6.31656 2.08879 -242.05300 479.35260
6095.0000 -248.82481 -241.98530 6.83951 2.09832 -241.85188 503.59631
6100.0000 -248.46116 -243.12089 5.34026 2.07929 -242.25347 493.50190
6105.0000 -248.62658 -242.42565 6.20093 2.04685 -242.93842 469.94643
6110.0000 -249.31073 -243.58050 5.73023 2.01360 -243.64042 451.12261
6115.0000 -249.20394 -243.44993 5.75400 2.03609 -243.16555 458.16522
6120.0000 -249.67110 -243.81387 5.85723 2.00692 -243.78132 438.20029
6125.0000 -249.18190 -243.23077 5.95113 2.03426 -243.20419 465.93459
6130.0000 -248.70763 -243.41189 5.29574 2.01151 -243.68450 438.18162
6135.0000 -249.09725 -243.83921 5.25804 2.03115 -243.26975 467.36433
6140.0000 -249.85904 -244.30070 5.55834 2.01026 -243.71078 460.50403
6145.0000 -249.25243 -243.79404 5.45839 1.98318 -244.28251 437.06284
6150.0000 -250.49700 -245.09811 5.39890 1.95768 -244.82082 413.01254
6155.0000 -249.35612 -244.28792 5.06820 1.97114 -244.53669 427.83969
6160.0000 -249.76357 -243.78017 5.98340 1.98371 -244.27144 437.71577
6165.0000 -249.79075 -243.91848 5.87228 1.98624 -244.21799 436.70706
6170.0000 -249.12284 -243.19753 5.92532 2.02397 -243.42134 467.02596
6175.0000 -248.66181 -243.22234 5.43948 2.02943 -243.30608 473.46830
6180.0000 -248.79470 -242.85426 5.94044 2.05612 -242.74271 489.73534
6185.0000 -248.74631 -243.13936 5.60695 2.04162 -243.04883 482.29511
6190.0000 -249.94455 -244.11169 5.83286 2.00918 -243.73375 457.12827
6195.0000 -249.28859 -243.33378 5.95481 2.01603 -243.58893 464.91177
6200.0000 -248.94100 -242.76486 6.17614 2.03923 -243.09936 479.62068
6205.0000 -249.12725 -243.38340 5.74385 2.03897 -243.10481 477.69638
6210.0000 -249.09515 -243.78620 5.30895 2.00552 -243.81094 447.74299
6215.0000 -248.45387 -242.88145 5.57241 2.02157 -243.47215 455.92085
6220.0000 -250.15781 -244.61696 5.54085 1.99247 -244.08648 444.33504
6225.0000 -249.19595 -243.71109 5.48485 1.98941 -244.15107 443.55929
6230.0000 -249.25409 -243.81742 5.43667 2.00745 -243.77019 457.35569
6235.0000 -249.71653 -243.92832 5.78821 1.99271 -244.08139 431.83581
6240.0000 -248.83762 -243.80921 5.02841 2.00791 -243.76042 455.86789
6245.0000 -249.33513 -243.75288 5.58225 2.04432 -242.99179 482.01847
6250.0000 -250.68722 -244.41096 6.27626 1.97822 -244.38719 432.41214
FREEZING PROCESS: loop number 26 T-loop= 438.00000000000000
main_MD> interactions number 26 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84105 0.17856 0.92567
force_rgl> df(natom) -2.16582 -0.29697 -0.09571
6255.0000 -249.78699 -243.91700 5.86999 1.99411 -244.05173 448.40595
6260.0000 -250.58551 -245.14021 5.44530 1.96510 -244.66430 424.83531
6265.0000 -250.46989 -244.42843 6.04146 1.96842 -244.59414 429.86134
6270.0000 -250.11186 -244.91131 5.20055 1.97237 -244.51075 429.75001
6275.0000 -249.66715 -243.27831 6.38883 1.97358 -244.48510 434.59283
6280.0000 -249.83698 -244.07973 5.75725 2.03466 -243.19566 476.01256
6285.0000 -249.62875 -244.99694 4.63181 1.95263 -244.92753 414.50322
6290.0000 -249.10454 -244.43126 4.67327 1.99144 -244.10818 439.23136
6295.0000 -249.39079 -243.73362 5.65716 2.00580 -243.80491 451.46496
6300.0000 -249.50383 -244.23756 5.26627 2.02524 -243.39461 469.19612
6305.0000 -250.07761 -244.19244 5.88516 1.97492 -244.45700 431.23306
6310.0000 -249.70858 -244.80064 4.90794 2.00005 -243.92635 451.14365
6315.0000 -249.33835 -245.18700 4.15135 1.93607 -245.27707 391.23109
6320.0000 -249.67335 -243.59859 6.07476 1.98599 -244.22329 434.34599
6325.0000 -249.35383 -244.11919 5.23464 1.99496 -244.03386 450.08632
6330.0000 -250.03181 -244.94283 5.08899 1.95955 -244.78149 422.91597
6335.0000 -249.65214 -243.36261 6.28953 1.98183 -244.31095 437.09769
6340.0000 -249.90275 -244.49424 5.40851 2.00267 -243.87107 451.64870
6345.0000 -249.85405 -244.59917 5.25488 1.97099 -244.53994 428.15288
6350.0000 -250.10297 -244.31383 5.78914 1.99493 -244.03438 448.59870
6355.0000 -249.17096 -243.26061 5.91035 2.01163 -243.68186 460.55571
6360.0000 -249.28489 -244.27742 5.00746 1.99539 -244.02484 450.63831
6365.0000 -249.41250 -244.28816 5.12434 1.99154 -244.10600 444.80804
6370.0000 -249.64630 -243.95799 5.68831 1.98568 -244.22979 440.37041
6375.0000 -249.71138 -244.66769 5.04370 1.99347 -244.06520 452.70554
6380.0000 -249.61262 -243.73893 5.87368 1.97167 -244.52546 431.61829
6385.0000 -250.36388 -244.55240 5.81148 1.99714 -243.98792 444.30725
6390.0000 -250.02919 -244.16891 5.86028 1.98260 -244.29484 436.46110
6395.0000 -250.34243 -245.31443 5.02800 1.96701 -244.62400 424.13036
6400.0000 -249.59117 -244.89010 4.70107 1.92806 -245.44619 398.36439
6405.0000 -249.54331 -243.63447 5.90883 2.00158 -243.89412 447.47770
6410.0000 -250.46624 -244.36899 6.09725 1.98565 -244.23032 439.06755
6415.0000 -249.51900 -243.92265 5.59635 1.98756 -244.19002 440.19308
6420.0000 -249.33117 -243.62811 5.70306 2.01564 -243.59733 462.57006
6425.0000 -249.74210 -244.22208 5.52002 2.00764 -243.76618 456.37082
6430.0000 -249.36430 -243.98604 5.37826 1.98838 -244.17276 445.62560
6435.0000 -249.66045 -244.01105 5.64940 2.00710 -243.77756 455.06026
6440.0000 -249.32994 -244.07603 5.25391 1.98435 -244.25789 436.65185
6445.0000 -250.18053 -244.95202 5.22851 1.99648 -244.00177 449.62303
6450.0000 -249.79092 -245.16529 4.62563 1.96887 -244.58475 425.75698
6455.0000 -250.25891 -244.94723 5.31168 1.95322 -244.91495 416.11828
6460.0000 -250.04390 -244.10917 5.93473 1.94734 -245.03916 411.00865
6465.0000 -249.37855 -243.82347 5.55508 2.01191 -243.67602 455.99147
6470.0000 -249.12906 -244.37595 4.75311 2.00633 -243.79371 451.46152
6475.0000 -250.28879 -244.55542 5.73337 1.94914 -245.00117 411.92064
6480.0000 -250.26498 -244.98240 5.28258 1.96569 -244.65169 424.40182
6485.0000 -249.22743 -244.44048 4.78696 1.96229 -244.72356 427.44797
6490.0000 -250.22900 -245.63424 4.59476 1.94895 -245.00525 409.29587
6495.0000 -249.96352 -243.38472 6.57880 1.98793 -244.18231 440.16213
6500.0000 -249.48964 -242.82353 6.66611 2.01506 -243.60942 464.79829
FREEZING PROCESS: loop number 27 T-loop= 413.00000000000000
main_MD> interactions number 27 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81932 -1.15262 -1.91762
force_rgl> df(natom) -1.35207 1.59377 -1.70214
6505.0000 -249.38558 -244.11734 5.26824 2.01027 -243.71073 462.29190
6510.0000 -250.01717 -244.66338 5.35379 1.97995 -244.35074 438.30546
6515.0000 -250.03672 -244.71205 5.32467 1.99391 -244.05600 449.16046
6520.0000 -250.25607 -245.12781 5.12827 1.95436 -244.89086 412.31875
6525.0000 -250.69759 -245.37239 5.32519 1.94969 -244.98962 411.21390
6530.0000 -250.30068 -244.71427 5.58641 1.92897 -245.42689 398.17202
6535.0000 -250.66779 -245.57316 5.09462 1.91934 -245.63029 389.39592
6540.0000 -250.01256 -245.29467 4.71790 1.94515 -245.08538 410.95129
6545.0000 -249.77336 -244.15992 5.61344 1.97526 -244.44965 420.62335
6550.0000 -250.06733 -244.25658 5.81075 1.96351 -244.69787 423.13822
6555.0000 -250.16124 -245.48764 4.67360 1.93756 -245.24565 403.23684
6560.0000 -250.84151 -245.70924 5.13227 1.92590 -245.49173 392.99516
6565.0000 -250.01054 -245.71129 4.29925 1.91925 -245.63224 391.24931
6570.0000 -250.24096 -245.33147 4.90949 1.91446 -245.73339 385.05476
6575.0000 -250.89629 -245.97479 4.92151 1.91876 -245.64243 385.54386
6580.0000 -250.42188 -245.63819 4.78368 1.91193 -245.78677 384.05951
6585.0000 -250.89404 -246.33632 4.55772 1.91541 -245.71321 387.63488
6590.0000 -250.20962 -245.89699 4.31263 1.88915 -246.26759 367.91698
6595.0000 -250.23828 -245.38377 4.85450 1.93403 -245.32015 400.66696
6600.0000 -249.69387 -244.79620 4.89766 1.96270 -244.71482 418.98751
6605.0000 -250.98195 -245.46873 5.51322 1.93260 -245.35026 403.70373
6610.0000 -250.43975 -244.88325 5.55650 1.93585 -245.28169 398.48475
6615.0000 -249.84664 -244.02168 5.82496 1.96672 -244.62997 417.45065
6620.0000 -249.69459 -244.52608 5.16852 1.97033 -244.55372 419.68664
6625.0000 -250.21172 -245.11365 5.09806 1.94286 -245.13367 397.17854
6630.0000 -248.88935 -244.09291 4.79644 1.97908 -244.36909 424.54155
6635.0000 -250.34857 -244.62091 5.72766 1.96089 -244.75302 408.39523
6640.0000 -250.32264 -245.95699 4.36565 1.92763 -245.45523 385.24443
6645.0000 -249.40712 -244.66746 4.73966 1.93114 -245.38115 385.25089
6650.0000 -249.85029 -244.72081 5.12948 1.95918 -244.78925 409.64354
6655.0000 -249.81873 -245.59876 4.21997 1.95360 -244.90699 407.49599
6660.0000 -249.71605 -245.00761 4.70844 1.92177 -245.57888 383.37616
6665.0000 -250.75043 -245.85348 4.89696 1.94004 -245.19336 395.13226
6670.0000 -250.54992 -245.05783 5.49210 1.93283 -245.34548 392.24081
6675.0000 -250.21230 -244.77126 5.44105 1.95544 -244.86826 413.61667
6680.0000 -249.22986 -243.60294 5.62691 1.98824 -244.17567 438.84291
6685.0000 -249.65167 -244.92053 4.73114 1.95889 -244.79531 414.65508
6690.0000 -249.58982 -244.56151 5.02831 1.95589 -244.85874 407.55594
6695.0000 -250.16158 -244.99341 5.16817 1.97060 -244.54807 425.51126
6700.0000 -248.81799 -244.16755 4.65044 1.96674 -244.62954 418.50252
6705.0000 -250.38454 -245.14066 5.24388 1.96626 -244.63973 420.98193
6710.0000 -250.68361 -246.16532 4.51828 1.93077 -245.38889 396.41407
6715.0000 -250.95227 -246.56234 4.38993 1.89595 -246.12414 369.43336
6720.0000 -250.70608 -245.71586 4.99022 1.91351 -245.75336 381.41047
6725.0000 -250.29376 -244.82809 5.46567 1.92383 -245.53548 388.31969
6730.0000 -249.75538 -245.03315 4.72223 1.97755 -244.40134 425.54217
6735.0000 -250.57864 -245.25054 5.32810 1.93603 -245.27804 387.95958
6740.0000 -250.20715 -245.18995 5.01720 1.93362 -245.32881 387.38258
6745.0000 -248.83107 -244.34137 4.48969 1.98349 -244.27596 426.64682
6750.0000 -249.88263 -244.93132 4.95131 1.96565 -244.65271 410.46854
FREEZING PROCESS: loop number 28 T-loop= 388.00000000000000
main_MD> interactions number 28 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.48937 -1.49095 -1.15177
force_rgl> df(natom) 1.75295 -0.21818 1.62187
6755.0000 -249.93652 -245.13576 4.80075 1.95017 -244.97936 405.42633
6760.0000 -250.59484 -246.39141 4.20344 1.90559 -245.92059 368.32211
6765.0000 -250.47339 -246.68504 3.78835 1.88598 -246.33452 355.42580
6770.0000 -250.32920 -244.94482 5.38438 1.90904 -245.84771 369.52577
6775.0000 -249.99721 -245.43033 4.56688 1.93391 -245.32271 388.65937
6780.0000 -250.01132 -244.92283 5.08850 1.94808 -245.02362 403.40809
6785.0000 -250.13517 -246.05488 4.08029 1.92628 -245.48377 381.91519
6790.0000 -250.29294 -245.82585 4.46709 1.90640 -245.90352 370.82679
6795.0000 -250.35518 -244.99976 5.35542 1.93249 -245.35262 399.55098
6800.0000 -249.70194 -244.91221 4.78974 1.96317 -244.70489 416.23490
6805.0000 -249.78833 -245.81516 3.97317 1.92563 -245.49750 391.59626
6810.0000 -250.73647 -245.90747 4.82900 1.91542 -245.71311 384.13055
6815.0000 -250.48768 -244.57342 5.91426 1.94312 -245.12815 405.11904
6820.0000 -250.17148 -245.16216 5.00932 1.96829 -244.59679 424.95465
6825.0000 -250.71828 -245.86797 4.85031 1.91419 -245.73905 382.10506
6830.0000 -249.87796 -245.24704 4.63092 1.91982 -245.62023 390.07154
6835.0000 -250.18963 -245.08448 5.10516 1.94179 -245.15625 398.85205
6840.0000 -250.00651 -245.87065 4.13586 1.93102 -245.38374 395.03004
6845.0000 -250.42622 -246.05973 4.36649 1.89330 -246.17992 367.01051
6850.0000 -250.26407 -244.98840 5.27567 1.92628 -245.48374 395.55448
6855.0000 -250.86142 -246.45846 4.40296 1.91549 -245.71163 386.78756
6860.0000 -250.57272 -246.13662 4.43610 1.91293 -245.76554 375.61724
6865.0000 -250.56245 -245.39551 5.16694 1.90559 -245.92048 371.79964
6870.0000 -249.88748 -244.71700 5.17048 1.94874 -245.00965 412.90102
6875.0000 -250.56990 -245.42274 5.14716 1.95319 -244.91576 414.47448
6880.0000 -249.98750 -245.23259 4.75491 1.92443 -245.52293 384.45009
6885.0000 -250.39280 -245.29291 5.09989 1.94209 -245.15002 400.55586
6890.0000 -250.37688 -244.69958 5.67730 1.96101 -244.75047 418.17027
6895.0000 -250.60376 -245.72518 4.87857 1.95929 -244.78678 412.10175
6900.0000 -250.33816 -246.05024 4.28792 1.93017 -245.40169 393.76127
6905.0000 -250.87331 -245.42055 5.45276 1.91324 -245.75914 389.58828
6910.0000 -250.90329 -245.86913 5.03416 1.90979 -245.83196 391.42455
6915.0000 -250.64542 -246.07156 4.57387 1.90491 -245.93501 391.33668
6920.0000 -251.39400 -246.73965 4.65435 1.88496 -246.35616 368.86618
6925.0000 -250.58738 -246.12419 4.46319 1.87692 -246.52584 367.11221
6930.0000 -250.74825 -246.28600 4.46225 1.90574 -245.91742 387.01997
6935.0000 -250.70793 -246.17164 4.53629 1.88288 -246.39993 370.39615
6940.0000 -251.03968 -246.76225 4.27743 1.87886 -246.48491 365.90328
6945.0000 -250.78409 -245.58629 5.19780 1.90038 -246.03049 381.84683
6950.0000 -250.57805 -244.75382 5.82423 1.95313 -244.91690 427.62139
6955.0000 -251.42909 -246.00210 5.42699 1.91247 -245.77539 394.23976
6960.0000 -250.14840 -245.01288 5.13551 1.92822 -245.44288 402.25064
6965.0000 -250.62908 -246.53269 4.09640 1.90045 -246.02905 385.15042
6970.0000 -251.44141 -246.19214 5.24927 1.88211 -246.41620 372.00954
6975.0000 -251.22532 -246.44947 4.77585 1.87871 -246.48805 368.20398
6980.0000 -250.54293 -246.01766 4.52527 1.87844 -246.49376 367.70269
6985.0000 -250.72787 -245.48250 5.24537 1.90738 -245.88274 389.18750
6990.0000 -250.86940 -246.27513 4.59427 1.90246 -245.98670 388.08504
6995.0000 -250.58223 -246.60563 3.97660 1.89666 -246.10917 380.97452
7000.0000 -250.95985 -246.65907 4.30078 1.87756 -246.51237 361.90956
FREEZING PROCESS: loop number 29 T-loop= 363.00000000000000
main_MD> interactions number 29 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00347 3.72741 -3.23665
force_rgl> df(natom) -3.63910 -0.85098 -1.05593
7005.0000 -250.99218 -247.19652 3.79566 1.84405 -247.21984 341.04082
7010.0000 -251.08316 -246.78368 4.29948 1.85807 -246.92371 352.03688
7015.0000 -251.11104 -246.25401 4.85703 1.87533 -246.55931 365.92690
7020.0000 -251.30770 -247.17332 4.13438 1.88070 -246.44611 366.04923
7025.0000 -251.39252 -247.10430 4.28822 1.84161 -247.27123 336.85788
7030.0000 -251.86530 -247.18173 4.68357 1.85846 -246.91549 349.91155
7035.0000 -251.09751 -246.01900 5.07851 1.87371 -246.59364 364.19590
7040.0000 -250.38444 -245.85507 4.52937 1.90475 -245.93829 384.63921
7045.0000 -251.18736 -247.03349 4.15387 1.87842 -246.49422 368.91322
7050.0000 -251.01618 -246.23596 4.78022 1.87577 -246.55004 367.43152
7055.0000 -250.49737 -246.00282 4.49455 1.89751 -246.09116 382.36774
7060.0000 -250.82465 -245.95655 4.86810 1.89162 -246.21558 375.82647
7065.0000 -250.47010 -246.06619 4.40391 1.90166 -246.00361 385.34001
7070.0000 -251.52905 -247.18210 4.34695 1.88187 -246.42123 372.09082
7075.0000 -251.56301 -247.94460 3.61841 1.83138 -247.48726 330.78517
7080.0000 -251.27445 -246.94485 4.32960 1.84881 -247.11916 342.26970
7085.0000 -251.54968 -247.15793 4.39175 1.85669 -246.95282 350.80623
7090.0000 -251.31669 -246.82680 4.48989 1.85504 -246.98779 349.16169
7095.0000 -251.75830 -247.24183 4.51648 1.85192 -247.05364 349.05544
7100.0000 -251.05295 -246.81704 4.23591 1.85145 -247.06344 346.26517
7105.0000 -250.71991 -246.63074 4.08917 1.86336 -246.81216 353.93069
7110.0000 -251.02643 -246.54354 4.48289 1.90095 -246.01849 386.31330
7115.0000 -251.44734 -246.53943 4.90791 1.88535 -246.34788 373.28570
7120.0000 -251.55997 -247.03697 4.52299 1.88675 -246.31834 371.91133
7125.0000 -251.06742 -246.90837 4.15905 1.86466 -246.78473 359.22590
7130.0000 -251.53858 -246.84725 4.69133 1.87333 -246.60166 361.70417
7135.0000 -251.44933 -246.78766 4.66167 1.85518 -246.98470 350.53538
7140.0000 -250.66770 -246.22067 4.44704 1.85173 -247.05761 347.97581
7145.0000 -250.48480 -245.57382 4.91098 1.90254 -245.98499 383.48118
7150.0000 -250.84231 -246.54091 4.30139 1.87973 -246.46656 368.24484
7155.0000 -250.81491 -246.23903 4.57588 1.88910 -246.26861 374.24239
7160.0000 -250.90596 -246.41534 4.49063 1.87043 -246.66286 360.49298
7165.0000 -250.80148 -246.63749 4.16400 1.86585 -246.75945 359.55483
7170.0000 -250.99865 -246.46734 4.53131 1.87201 -246.62939 360.44424
7175.0000 -251.60116 -247.10930 4.49186 1.87556 -246.55460 365.58817
7180.0000 -252.17211 -247.42614 4.74596 1.82681 -247.58369 326.71305
7185.0000 -251.07406 -246.95538 4.11868 1.85069 -247.07953 345.62669
7190.0000 -251.06239 -247.14362 3.91877 1.86567 -246.76332 359.82658
7195.0000 -250.94926 -246.96258 3.98668 1.86008 -246.88144 354.54959
7200.0000 -250.22614 -246.25356 3.97259 1.87000 -246.67194 357.86963
7205.0000 -250.90291 -246.41801 4.48490 1.89863 -246.06753 383.75903
7210.0000 -251.40602 -246.66931 4.73671 1.87477 -246.57111 364.84404
7215.0000 -250.84882 -246.07446 4.77436 1.88411 -246.37395 372.84031
7220.0000 -250.65772 -245.82100 4.83673 1.92586 -245.49256 404.16371
7225.0000 -250.83174 -246.06905 4.76269 1.88847 -246.28194 377.93771
7230.0000 -251.76272 -247.71418 4.04854 1.86755 -246.72359 360.65687
7235.0000 -251.22135 -247.32313 3.89822 1.83378 -247.43650 335.65184
7240.0000 -250.85355 -246.54821 4.30534 1.84349 -247.23151 340.59987
7245.0000 -251.07868 -246.47671 4.60197 1.86715 -246.73203 358.95555
7250.0000 -251.17509 -246.30986 4.86522 1.86144 -246.85263 354.79457
FREEZING PROCESS: loop number 30 T-loop= 338.00000000000000
main_MD> interactions number 30 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.30121 1.23473 2.85953
force_rgl> df(natom) 0.76826 -2.46551 -1.85742
7255.0000 -251.45858 -247.38871 4.06987 1.87711 -246.52179 368.06808
7260.0000 -251.09573 -247.16655 3.92917 1.84695 -247.15846 343.01418
7265.0000 -250.89478 -247.13145 3.76334 1.84507 -247.19812 340.79542
7270.0000 -251.21950 -247.07605 4.14345 1.83488 -247.41335 332.52680
7275.0000 -251.03453 -246.24736 4.78717 1.86531 -246.77093 355.37635
7280.0000 -251.58037 -247.01454 4.56583 1.85256 -247.04010 345.69871
7285.0000 -251.97412 -247.03517 4.93895 1.85606 -246.96623 347.17288
7290.0000 -251.43233 -247.12467 4.30767 1.86162 -246.84876 351.97685
7295.0000 -251.43908 -247.33914 4.09994 1.87177 -246.63462 362.06945
7300.0000 -251.23610 -246.92845 4.30765 1.84828 -247.13050 344.98494
7305.0000 -250.44364 -245.98959 4.45405 1.86790 -246.71618 360.13107
7310.0000 -251.54325 -247.40736 4.13589 1.84553 -247.18861 341.10661
7315.0000 -251.68573 -247.60468 4.08105 1.82360 -247.65152 323.45326
7320.0000 -251.86796 -247.69811 4.16985 1.83352 -247.44201 332.08404
7325.0000 -251.16308 -246.71910 4.44398 1.85480 -246.99287 348.90567
7330.0000 -251.24016 -246.99461 4.24554 1.86450 -246.78809 352.65612
7335.0000 -251.29359 -247.24944 4.04415 1.84403 -247.22026 340.42272
7340.0000 -251.93732 -247.71859 4.21873 1.83487 -247.41364 331.27566
7345.0000 -252.35329 -248.46816 3.88513 1.80367 -248.07230 310.32849
7350.0000 -251.72789 -247.51866 4.20923 1.82062 -247.71434 319.21172
7355.0000 -250.87741 -246.82834 4.04907 1.85622 -246.96276 349.94798
7360.0000 -250.44542 -246.66512 3.78030 1.84711 -247.15511 340.80865
7365.0000 -251.92347 -248.03971 3.88376 1.84016 -247.30194 336.82581
7370.0000 -251.92433 -247.56417 4.36016 1.81325 -247.87004 318.77756
7375.0000 -251.55965 -247.87668 3.68297 1.83192 -247.47593 331.25481
7380.0000 -252.12188 -248.06206 4.05982 1.82897 -247.53800 325.83443
7385.0000 -251.28096 -246.79747 4.48349 1.82928 -247.53161 329.28300
7390.0000 -250.72912 -246.30500 4.42413 1.89284 -246.18972 375.46664
7395.0000 -250.98059 -245.91633 5.06426 1.88089 -246.44203 371.56847
7400.0000 -251.66873 -247.80589 3.86284 1.87185 -246.63276 360.91298
7405.0000 -251.39457 -247.17101 4.22356 1.84878 -247.11982 344.05699
7410.0000 -251.14077 -247.14639 3.99438 1.85684 -246.94971 351.78613
7415.0000 -251.63617 -247.36399 4.27218 1.82913 -247.53475 328.72784
7420.0000 -251.31216 -246.98434 4.32781 1.85761 -246.93347 349.49180
7425.0000 -251.21321 -246.87235 4.34087 1.85463 -246.99637 348.39180
7430.0000 -251.39046 -247.40767 3.98279 1.85869 -246.91068 354.01887
7435.0000 -252.08412 -248.14692 3.93720 1.82711 -247.57734 331.28264
7440.0000 -251.80765 -247.53493 4.27271 1.82115 -247.70318 323.10859
7445.0000 -251.70967 -246.59376 5.11591 1.85926 -246.89860 350.01361
7450.0000 -251.12527 -246.84854 4.27673 1.86598 -246.75668 357.63888
7455.0000 -250.90909 -247.04729 3.86180 1.84944 -247.10598 343.17314
7460.0000 -251.42491 -247.62744 3.79747 1.82721 -247.57526 326.20957
7465.0000 -252.11242 -248.03452 4.07789 1.82361 -247.65137 322.24113
7470.0000 -251.79849 -247.60388 4.19460 1.82929 -247.53141 329.48099
7475.0000 -251.67007 -247.67972 3.99035 1.83010 -247.51420 327.98909
7480.0000 -251.59516 -247.32240 4.27277 1.82305 -247.66319 324.00634
7485.0000 -251.95038 -247.70086 4.24953 1.82747 -247.56974 327.81907
7490.0000 -251.44897 -247.10060 4.34836 1.83445 -247.42244 332.07499
7495.0000 -251.15997 -246.32698 4.83299 1.88461 -246.36355 371.10372
7500.0000 -251.58127 -246.62807 4.95320 1.87906 -246.48061 366.64299
FREEZING PROCESS: loop number 31 T-loop= 313.00000000000000
main_MD> interactions number 31 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.62256 1.51747 3.44870
force_rgl> df(natom) -2.75330 1.65034 -1.56470
7505.0000 -251.33829 -247.67521 3.66309 1.83687 -247.37134 335.26775
7510.0000 -251.44200 -246.86142 4.58058 1.84047 -247.29528 334.83185
7515.0000 -251.71163 -247.73390 3.97773 1.84184 -247.26632 335.89182
7520.0000 -251.66540 -247.80391 3.86149 1.82978 -247.52098 327.38317
7525.0000 -251.92677 -247.84646 4.08032 1.80854 -247.96942 312.62279
7530.0000 -251.80158 -247.94296 3.85861 1.81109 -247.91557 315.98060
7535.0000 -251.91724 -248.27781 3.63943 1.81097 -247.91811 312.24903
7540.0000 -251.91570 -248.24834 3.66736 1.80059 -248.13716 306.82097
7545.0000 -252.06003 -248.15301 3.90702 1.80055 -248.13806 306.20863
7550.0000 -251.34414 -247.14335 4.20079 1.82103 -247.70581 323.76642
7555.0000 -252.06614 -247.65595 4.41019 1.84651 -247.16792 342.19006
7560.0000 -251.55784 -247.94793 3.60991 1.80761 -247.98913 309.85192
7565.0000 -252.39625 -247.83002 4.56623 1.79605 -248.23303 303.33821
7570.0000 -252.68334 -248.85004 3.83330 1.80956 -247.94792 316.46924
7575.0000 -252.13987 -248.51858 3.62129 1.76542 -248.87978 277.09060
7580.0000 -252.17274 -248.10905 4.06369 1.80836 -247.97330 313.44831
7585.0000 -251.90956 -247.56990 4.33967 1.81050 -247.92800 312.67027
7590.0000 -251.63425 -247.79553 3.83872 1.81915 -247.74544 321.16571
7595.0000 -251.73597 -247.86996 3.86601 1.81741 -247.78221 320.93717
7600.0000 -251.98083 -248.16839 3.81244 1.79730 -248.20674 303.10108
7605.0000 -251.84836 -248.18004 3.66832 1.80958 -247.94740 311.12403
7610.0000 -251.78938 -247.91169 3.87769 1.79901 -248.17056 305.16756
7615.0000 -252.05265 -247.77449 4.27815 1.80049 -248.13931 305.72066
7620.0000 -251.58355 -247.65740 3.92615 1.79718 -248.20926 303.49582
7625.0000 -251.73707 -247.73692 4.00015 1.80904 -247.95894 312.43880
7630.0000 -251.84267 -248.07558 3.76709 1.80783 -247.98444 312.63370
7635.0000 -251.85374 -247.98827 3.86547 1.80624 -248.01797 313.35514
7640.0000 -252.08926 -247.84510 4.24416 1.80602 -248.02257 312.53637
7645.0000 -252.08256 -247.96904 4.11352 1.79377 -248.28130 300.09000
7650.0000 -251.99908 -248.29391 3.70517 1.79659 -248.22179 303.13496
7655.0000 -252.04774 -248.07383 3.97391 1.81472 -247.83887 316.80260
7660.0000 -252.02143 -248.06181 3.95962 1.79741 -248.20429 303.77000
7665.0000 -251.28229 -247.24776 4.03452 1.82944 -247.52824 328.80357
7670.0000 -251.60098 -247.20986 4.39112 1.83433 -247.42501 331.88161
7675.0000 -251.83657 -247.18334 4.65323 1.84028 -247.29924 337.27943
7680.0000 -252.34946 -248.69824 3.65122 1.82504 -247.62115 328.82711
7685.0000 -251.96066 -248.00707 3.95359 1.80653 -248.01194 308.95857
7690.0000 -251.39883 -247.45177 3.94705 1.81552 -247.82199 318.68323
7695.0000 -251.59006 -247.59682 3.99324 1.83118 -247.49139 329.11266
7700.0000 -251.43817 -247.04128 4.39689 1.84220 -247.25876 340.22734
7705.0000 -251.56420 -247.14025 4.42396 1.84419 -247.21688 341.44918
7710.0000 -251.94379 -248.01450 3.92928 1.81250 -247.88572 315.24191
7715.0000 -252.00774 -248.86061 3.14713 1.77673 -248.64095 287.87397
7720.0000 -251.96601 -247.59198 4.37404 1.80617 -248.01939 309.97547
7725.0000 -251.94079 -248.31741 3.62338 1.80928 -247.95372 312.87649
7730.0000 -252.32888 -248.26298 4.06590 1.79106 -248.33838 298.29013
7735.0000 -252.27201 -248.13117 4.14084 1.79462 -248.26333 300.47901
7740.0000 -252.39858 -248.23073 4.16784 1.79563 -248.24198 302.33148
7745.0000 -251.66641 -248.42700 3.23941 1.79011 -248.35851 298.58095
7750.0000 -251.48346 -247.66332 3.82015 1.78369 -248.49397 292.19017
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 30.2403942 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink