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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_99/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_99.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 = 99 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1500
main_MD> Size of nv and nvoiz: 99 9900
main_MD> Size of nv and nvoiz: 99 9900
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 = 99
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> 0.12233472673510930 7.0054621230920350E-002 -4.4618754160230312E-002 initial drift of cluster / NP1 for coalescence
init> 0.32149893921143874 0.32776954717456236 0.29950699971722433 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.4806789862902592E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.79909 0.83268 -0.42581
force_rgl> df(natom) 2.79512 0.15850 -0.79010
preparo> THERMALIZATION PROCESS AT 1050.0917661470942
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -224.54690929490860 12.509550350045735 -237.05645964495434 6.6307447781286722E-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 30
FREEZING PROCESS: loop number 1 T-loop= 1026.0000000000000
main_MD> interactions number 1 at Temperature= 1026.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.52860 2.40168 5.48402
force_rgl> df(natom) -0.35820 -0.20612 -2.49393
5.0000 -236.21255 -223.87973 12.33282 3.15793 -224.46875 1046.34761
10.0000 -238.05213 -222.55109 15.50104 3.21511 -223.24515 1130.19174
15.0000 -237.07927 -224.91964 12.15964 3.23001 -222.92629 1116.97902
20.0000 -238.26336 -226.32850 11.93486 3.19354 -223.70681 1102.76620
25.0000 -237.65916 -222.13088 15.52828 3.16476 -224.32263 1091.96810
30.0000 -238.71400 -223.69597 15.01803 3.24963 -222.50638 1110.11007
35.0000 -239.66986 -228.08819 11.58168 3.11442 -225.39992 1050.11195
40.0000 -242.33370 -229.03802 13.29568 2.95323 -228.84950 969.72317
45.0000 -241.71182 -228.72125 12.99057 2.95217 -228.87223 954.07109
50.0000 -238.30563 -225.46827 12.83736 3.03623 -227.07319 1028.92241
55.0000 -239.91445 -224.75240 15.16205 3.14527 -224.73970 1064.86114
60.0000 -236.89844 -222.96620 13.93224 3.15429 -224.54669 1119.67140
65.0000 -240.01274 -225.30575 14.70699 3.21947 -223.15172 1108.19539
70.0000 -238.94677 -226.35504 12.59173 3.07302 -226.28586 1054.50909
75.0000 -239.66137 -227.20092 12.46045 3.05331 -226.70780 1021.79161
80.0000 -240.68211 -226.75433 13.92778 3.05293 -226.71585 1028.99138
85.0000 -239.73539 -224.25097 15.48443 3.08776 -225.97048 1053.72798
90.0000 -239.85795 -225.11335 14.74459 3.17838 -224.03107 1096.31531
95.0000 -238.48540 -226.15854 12.32685 3.06200 -226.52174 1049.60025
100.0000 -238.16521 -226.52657 11.63865 3.09370 -225.84344 1045.81728
105.0000 -239.53106 -224.28044 15.25062 3.10986 -225.49748 1048.83799
110.0000 -237.80812 -224.48136 13.32676 3.17769 -224.04584 1079.32278
115.0000 -240.05283 -226.92029 13.13255 3.06126 -226.53754 1018.60183
120.0000 -239.42847 -225.99933 13.42914 3.06342 -226.49144 1038.79138
125.0000 -236.18538 -223.82047 12.36491 3.11260 -225.43896 1048.67133
130.0000 -238.59104 -225.06070 13.53034 3.21324 -223.28508 1123.62861
135.0000 -239.51345 -227.23502 12.27843 3.09414 -225.83403 1055.03422
140.0000 -241.24814 -227.82822 13.41992 3.01332 -227.56341 995.55424
145.0000 -238.82760 -226.82989 11.99770 3.05210 -226.73358 1031.06759
150.0000 -239.64715 -227.54674 12.10041 3.07685 -226.20397 1030.13518
155.0000 -241.86175 -227.75786 14.10389 3.02024 -227.41535 1023.96979
160.0000 -240.38883 -226.85667 13.53216 3.06268 -226.50722 1033.42309
165.0000 -239.67312 -228.79954 10.87358 2.98467 -228.17670 990.81689
170.0000 -241.55093 -229.37781 12.17311 2.95422 -228.82825 967.46240
175.0000 -240.97092 -226.91265 14.05827 2.97303 -228.42578 993.11942
180.0000 -241.29546 -229.46477 11.83070 2.96277 -228.64527 966.13723
185.0000 -241.06905 -228.79260 12.27645 2.94497 -229.02619 963.74097
190.0000 -238.76751 -224.14929 14.61822 3.09065 -225.90869 1056.18992
195.0000 -238.40003 -223.86158 14.53845 3.18469 -223.89619 1141.22071
200.0000 -238.02994 -224.67195 13.35799 3.20546 -223.45157 1116.25542
205.0000 -240.00276 -225.38500 14.61776 3.14902 -224.65949 1059.57465
210.0000 -238.08495 -225.37421 12.71073 3.07321 -226.28193 1023.95907
215.0000 -238.49496 -226.25325 12.24171 3.09537 -225.80761 1037.25502
220.0000 -239.05902 -225.99346 13.06556 3.04646 -226.85431 1015.23272
225.0000 -238.40509 -223.97481 14.43028 3.08398 -226.05138 1023.01947
230.0000 -238.98532 -225.35259 13.63273 3.15653 -224.49868 1083.35445
235.0000 -238.41464 -225.66662 12.74802 3.06553 -226.44618 1005.92453
240.0000 -239.08147 -224.84704 14.23443 3.14995 -224.63955 1058.11097
245.0000 -236.27385 -221.92579 14.34806 3.15951 -224.43487 1083.00649
250.0000 -237.75110 -222.70628 15.04481 3.34001 -220.57214 1179.45390
FREEZING PROCESS: loop number 2 T-loop= 1001.0000000000000
main_MD> interactions number 2 at Temperature= 1001.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33395 -0.66965 1.05164
force_rgl> df(natom) -2.28495 2.54132 0.76692
255.0000 -237.79635 -223.66327 14.13309 3.25901 -222.30561 1128.23400
260.0000 -240.13873 -225.68660 14.45213 3.14095 -224.83227 1066.63050
265.0000 -238.70517 -226.01921 12.68596 3.06330 -226.49396 1017.65671
270.0000 -239.46275 -229.30098 10.16177 3.02548 -227.30337 984.16170
275.0000 -241.33718 -229.06304 12.27414 2.97322 -228.42173 960.11783
280.0000 -240.75236 -226.23569 14.51667 2.99078 -228.04585 972.50931
285.0000 -239.96383 -226.27515 13.68868 3.05869 -226.59257 1027.78002
290.0000 -241.62534 -228.46546 13.15987 2.98739 -228.11850 973.62322
295.0000 -239.82523 -228.23386 11.59137 2.94908 -228.93822 991.18032
300.0000 -240.47100 -228.29019 12.18081 2.97662 -228.34890 987.36081
305.0000 -239.75159 -226.89641 12.85518 3.00658 -227.70771 996.34982
310.0000 -237.63051 -225.33716 12.29335 3.10625 -225.57470 1055.52837
315.0000 -239.11372 -227.05491 12.05881 3.04413 -226.90422 1000.70970
320.0000 -239.42772 -226.95633 12.47139 3.08345 -226.06269 1005.00709
325.0000 -240.81437 -227.49384 13.32053 3.02615 -227.28889 1000.14767
330.0000 -239.77859 -226.30481 13.47379 3.06743 -226.40545 1030.53111
335.0000 -240.45968 -227.63488 12.82479 3.00986 -227.63763 1002.77320
340.0000 -236.16752 -225.01438 11.15313 3.06319 -226.49618 1016.04136
345.0000 -238.67383 -225.94918 12.72464 3.10304 -225.64338 1042.78284
350.0000 -243.69851 -229.99701 13.70150 3.00317 -227.78077 975.69480
355.0000 -242.69330 -230.03699 12.65631 2.88013 -230.41374 917.04925
360.0000 -240.77547 -228.24792 12.52755 2.94907 -228.93850 942.29580
365.0000 -239.35394 -227.71885 11.63509 2.95254 -228.86432 945.58986
370.0000 -244.01262 -230.46425 13.54837 2.92384 -229.47853 945.64593
375.0000 -241.22536 -229.79156 11.43380 2.92134 -229.53201 947.07305
380.0000 -242.05640 -229.87941 12.17699 2.95408 -228.83132 979.16822
385.0000 -239.81560 -228.52600 11.28959 2.93961 -229.14095 959.21010
390.0000 -238.46055 -224.44258 14.01797 3.10284 -225.64772 1056.51447
395.0000 -241.21715 -226.92126 14.29589 3.09914 -225.72699 1031.61003
400.0000 -238.70097 -227.23571 11.46526 3.04456 -226.89496 1041.10532
405.0000 -239.69218 -226.81202 12.88016 3.01404 -227.54800 1012.95956
410.0000 -237.69298 -224.93844 12.75454 3.07535 -226.23594 1027.83130
415.0000 -241.90971 -227.54715 14.36256 3.06200 -226.52174 1041.24356
420.0000 -242.36075 -228.70443 13.65633 2.99437 -227.96897 987.98202
425.0000 -239.06925 -226.43782 12.63143 2.98499 -228.16973 1006.74627
430.0000 -240.25547 -226.68105 13.57442 3.05158 -226.74464 1017.79911
435.0000 -239.02743 -223.12797 15.89946 3.12756 -225.11882 1062.41834
440.0000 -236.53319 -225.27157 11.26162 3.14169 -224.81640 1045.03922
445.0000 -237.91277 -224.67915 13.23362 3.09781 -225.75541 1053.41130
450.0000 -237.53936 -224.21785 13.32151 3.14659 -224.71156 1090.21377
455.0000 -239.08608 -225.90104 13.18504 3.09555 -225.80386 1074.57136
460.0000 -238.63275 -225.86618 12.76657 3.07064 -226.33678 1031.09001
465.0000 -238.18713 -226.46651 11.72061 3.06885 -226.37508 1016.93011
470.0000 -238.61143 -225.50949 13.10194 3.10781 -225.54148 1058.99424
475.0000 -241.75253 -226.47728 15.27526 3.10372 -225.62889 1038.05382
480.0000 -239.64427 -227.12717 12.51710 3.03117 -227.18157 998.09599
485.0000 -240.60353 -226.58768 14.01585 3.06012 -226.56198 1022.40569
490.0000 -239.68335 -228.61326 11.07009 3.03561 -227.08659 995.01639
495.0000 -239.81106 -227.25019 12.56087 2.94024 -229.12749 932.70017
500.0000 -240.27697 -227.84623 12.43074 3.00585 -227.72343 971.64825
FREEZING PROCESS: loop number 3 T-loop= 976.00000000000000
main_MD> interactions number 3 at Temperature= 976.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.38017 -1.07669 4.55169
force_rgl> df(natom) 2.64437 -5.23872 3.02520
505.0000 -241.34608 -229.48846 11.85762 2.95668 -228.77565 979.85934
510.0000 -240.07544 -228.72453 11.35090 2.90928 -229.79012 958.27577
515.0000 -240.00290 -228.47055 11.53235 3.02918 -227.22404 982.40220
520.0000 -240.74816 -229.10297 11.64519 2.93563 -229.22619 955.00581
525.0000 -240.98058 -228.81205 12.16853 2.95874 -228.73146 949.91119
530.0000 -238.16506 -226.62322 11.54184 3.00208 -227.80401 996.84838
535.0000 -240.59205 -228.67123 11.92082 2.95298 -228.85474 947.26348
540.0000 -241.15273 -229.17699 11.97574 2.95049 -228.90821 970.71569
545.0000 -240.16442 -227.75674 12.40768 2.97324 -228.42121 954.46623
550.0000 -240.90422 -227.57303 13.33119 2.99379 -227.98137 968.06975
555.0000 -240.15713 -225.95554 14.20159 3.04330 -226.92201 1018.32401
560.0000 -238.09689 -225.44452 12.65236 3.12772 -225.11540 1048.56742
565.0000 -240.52213 -228.08796 12.43417 3.03889 -227.01630 947.34143
570.0000 -239.79981 -228.50258 11.29722 2.98988 -228.06516 976.45152
575.0000 -239.31156 -227.16394 12.14762 3.00998 -227.63503 996.43472
580.0000 -241.66972 -228.65038 13.01935 2.96838 -228.52522 961.19909
585.0000 -241.34977 -227.84154 13.50823 2.98630 -228.14182 977.56147
590.0000 -238.43268 -227.05647 11.37621 3.00447 -227.75292 973.66774
595.0000 -240.94781 -228.68103 12.26678 2.99061 -228.04957 974.84470
600.0000 -241.27220 -229.04130 12.23089 2.93089 -229.32756 945.74969
605.0000 -239.57535 -225.88743 13.68792 3.09320 -225.85404 1049.31840
610.0000 -238.78576 -227.79414 10.99162 3.02125 -227.39388 977.31597
615.0000 -238.31043 -225.52625 12.78418 3.07155 -226.31733 1020.93186
620.0000 -240.87871 -226.11919 14.75952 3.03439 -227.11255 997.65450
625.0000 -238.36958 -224.24206 14.12752 3.16841 -224.24462 1083.36946
630.0000 -239.37998 -227.60581 11.77417 3.04073 -226.97689 989.96382
635.0000 -240.26220 -228.66742 11.59478 2.99643 -227.92501 985.74946
640.0000 -242.40453 -229.15558 13.24895 2.91825 -229.59811 933.09496
645.0000 -241.75942 -228.45828 13.30114 2.97463 -228.39158 1004.20429
650.0000 -241.36840 -227.84480 13.52361 2.96159 -228.67060 977.03881
655.0000 -240.10555 -226.34022 13.76534 3.01963 -227.42846 998.89015
660.0000 -240.32659 -227.06623 13.26037 3.03648 -227.06781 974.41495
665.0000 -240.98673 -229.13804 11.84869 3.00906 -227.65473 983.29563
670.0000 -242.51602 -229.58199 12.93403 2.92767 -229.39657 947.14787
675.0000 -242.69901 -230.93306 11.76594 2.86831 -230.66685 924.09562
680.0000 -242.14990 -230.27304 11.87686 2.86299 -230.78057 918.56838
685.0000 -241.29501 -228.38057 12.91444 2.94534 -229.01832 967.61866
690.0000 -242.86487 -232.25194 10.61293 2.93574 -229.22384 937.02282
695.0000 -242.32661 -230.80494 11.52166 2.84389 -231.18930 878.76353
700.0000 -242.19733 -229.74127 12.45606 2.91282 -229.71431 950.13916
705.0000 -241.74504 -228.25168 13.49335 2.96004 -228.70376 988.95640
710.0000 -241.93580 -229.89739 12.03842 2.99431 -227.97028 972.94407
715.0000 -240.87404 -228.92736 11.94668 3.00412 -227.76033 969.06560
720.0000 -241.25611 -229.43785 11.81827 2.91036 -229.76682 884.80052
725.0000 -240.87482 -229.80209 11.07274 2.91300 -229.71042 937.30244
730.0000 -243.44995 -232.37404 11.07590 2.75333 -233.12745 851.08156
735.0000 -243.24145 -230.47370 12.76775 2.80564 -232.00801 874.19002
740.0000 -242.25755 -229.91612 12.34143 2.88347 -230.34230 933.95913
745.0000 -240.39781 -228.00078 12.39703 2.93832 -229.16849 956.79505
750.0000 -240.11253 -227.33223 12.78030 3.04816 -226.81802 1004.69674
FREEZING PROCESS: loop number 4 T-loop= 951.00000000000000
main_MD> interactions number 4 at Temperature= 951.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91481 -2.19021 3.72833
force_rgl> df(natom) 0.74005 -0.94291 -0.53060
755.0000 -240.45575 -228.84404 11.61171 2.98352 -228.20126 977.12958
760.0000 -240.70685 -227.37019 13.33666 3.00086 -227.83013 979.39681
765.0000 -240.88812 -228.52634 12.36178 2.94940 -228.93147 936.99100
770.0000 -240.26108 -229.36749 10.89359 2.95753 -228.75740 963.55207
775.0000 -239.62387 -227.56067 12.06320 2.96105 -228.68219 962.23326
780.0000 -239.71395 -227.26746 12.44649 3.03988 -226.99502 1032.28141
785.0000 -240.26982 -227.89890 12.37093 2.97836 -228.31161 962.84756
790.0000 -238.84326 -227.31152 11.53174 3.03053 -227.19512 990.48731
795.0000 -240.26203 -228.02962 12.23241 3.01458 -227.53665 998.30522
800.0000 -240.64873 -227.88922 12.75951 2.98703 -228.12620 984.15269
805.0000 -241.96328 -228.52821 13.43507 3.01662 -227.49288 991.43417
810.0000 -240.04130 -229.28041 10.76089 2.93572 -229.22425 913.12280
815.0000 -241.77299 -230.19487 11.57811 2.94415 -229.04381 935.60137
820.0000 -242.60135 -229.22657 13.37478 2.86792 -230.67506 895.53694
825.0000 -240.95828 -227.25760 13.70067 2.95903 -228.72526 993.81732
830.0000 -241.61860 -228.80880 12.80980 2.95390 -228.83516 965.77232
835.0000 -241.39046 -230.07844 11.31202 2.92787 -229.39214 946.06614
840.0000 -241.45566 -229.36633 12.08932 2.93115 -229.32207 953.03773
845.0000 -240.89219 -228.35893 12.53326 2.90464 -229.88939 900.80920
850.0000 -241.18600 -228.74349 12.44251 2.97831 -228.31270 959.09533
855.0000 -239.82431 -229.26532 10.55899 2.89645 -230.06465 903.46773
860.0000 -242.44279 -230.16922 12.27358 2.88405 -230.32996 894.97432
865.0000 -238.68798 -226.50675 12.18122 2.97336 -228.41868 983.71743
870.0000 -240.95222 -227.32984 13.62238 3.05124 -226.75211 995.94117
875.0000 -238.68980 -227.67424 11.01556 3.05064 -226.76476 1033.91120
880.0000 -242.02180 -230.92486 11.09694 2.91837 -229.59555 953.30700
885.0000 -241.02678 -228.59510 12.43167 2.87210 -230.58572 874.88768
890.0000 -240.46127 -229.60513 10.85615 2.95673 -228.77456 964.41797
895.0000 -243.98957 -233.05158 10.93799 2.86804 -230.67255 900.69425
900.0000 -243.46039 -230.83515 12.62524 2.79073 -232.32700 873.05760
905.0000 -243.92609 -232.17808 11.74801 2.82695 -231.55191 883.38711
910.0000 -244.62029 -231.81092 12.80937 2.79720 -232.18862 889.15797
915.0000 -244.76159 -233.60295 11.15864 2.75791 -233.02951 852.94409
920.0000 -244.62094 -232.87119 11.74975 2.74074 -233.39680 844.39402
925.0000 -241.92166 -230.57485 11.34680 2.85708 -230.90710 909.43284
930.0000 -239.42352 -227.24970 12.17382 2.96232 -228.65504 957.45720
935.0000 -239.26974 -226.43370 12.83604 2.99342 -227.98936 984.10061
940.0000 -241.89832 -229.95767 11.94064 3.03281 -227.14637 1022.08909
945.0000 -240.77895 -227.56452 13.21444 2.89670 -230.05925 915.25079
950.0000 -242.59563 -230.30064 12.29499 2.91986 -229.56359 944.46809
955.0000 -239.30216 -226.89512 12.40704 2.94919 -228.93590 925.19003
960.0000 -240.29209 -228.28531 12.00678 3.03934 -227.00674 1009.93301
965.0000 -242.84962 -231.23509 11.61452 2.87429 -230.53875 914.10847
970.0000 -242.35866 -230.45174 11.90692 2.89410 -230.11497 932.19121
975.0000 -242.99411 -233.00773 9.98638 2.80828 -231.95156 883.04946
980.0000 -241.43047 -229.22593 12.20454 2.84240 -231.22126 917.55887
985.0000 -240.78547 -228.67250 12.11297 2.93053 -229.33526 936.36487
990.0000 -240.76825 -228.37601 12.39223 2.96355 -228.62864 962.25720
995.0000 -239.74762 -227.31592 12.43171 2.92267 -229.50356 944.28451
1000.0000 -240.40954 -228.00655 12.40299 3.04766 -226.82865 1016.07824
FREEZING PROCESS: loop number 5 T-loop= 926.00000000000000
main_MD> interactions number 5 at Temperature= 926.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61024 -2.62286 0.53219
force_rgl> df(natom) 0.65434 0.39860 -0.70168
1005.0000 -241.66501 -230.92294 10.74208 2.91923 -229.57708 949.82667
1010.0000 -241.84131 -229.02788 12.81343 2.91638 -229.63806 919.76562
1015.0000 -243.48089 -231.38129 12.09960 2.88359 -230.33971 935.37397
1020.0000 -240.90715 -229.48972 11.41744 2.85003 -231.05790 905.27334
1025.0000 -243.98604 -231.63756 12.34847 2.88536 -230.30192 910.49467
1030.0000 -244.32059 -232.20854 12.11205 2.78820 -232.38112 868.75556
1035.0000 -243.45335 -231.30127 12.15208 2.84044 -231.26313 885.00819
1040.0000 -240.88634 -228.42017 12.46617 2.88134 -230.38802 932.53242
1045.0000 -244.23991 -231.77855 12.46136 2.86628 -230.71019 918.59999
1050.0000 -240.46777 -228.54775 11.92002 2.90091 -229.96914 935.83156
1055.0000 -240.41001 -228.14259 12.26741 2.96082 -228.68700 950.29147
1060.0000 -240.43777 -225.91931 14.51846 3.06598 -226.43663 1030.80593
1065.0000 -243.20709 -230.45005 12.75704 3.03883 -227.01763 1033.70092
1070.0000 -242.52053 -229.95151 12.56902 2.86726 -230.68929 900.96727
1075.0000 -240.88912 -228.81455 12.07457 2.89788 -230.03395 905.06908
1080.0000 -242.33479 -228.16595 14.16884 2.97268 -228.43321 971.08476
1085.0000 -240.58614 -227.82479 12.76135 2.96014 -228.70166 951.13451
1090.0000 -241.83028 -229.97859 11.85169 2.92525 -229.44824 940.83410
1095.0000 -242.56492 -231.90649 10.65844 2.85041 -231.04978 900.40587
1100.0000 -245.22191 -233.98288 11.23903 2.76555 -232.86588 863.46241
1105.0000 -243.27145 -231.11923 12.15222 2.83413 -231.39818 871.24170
1110.0000 -242.34266 -229.95271 12.38995 2.81870 -231.72843 866.58878
1115.0000 -243.69402 -233.05335 10.64067 2.79790 -232.17366 865.49578
1120.0000 -243.53111 -231.84349 11.68762 2.80038 -232.12058 895.80618
1125.0000 -242.10065 -230.61173 11.48892 2.86477 -230.74263 899.49931
1130.0000 -242.39610 -230.26424 12.13186 2.90632 -229.85341 932.73770
1135.0000 -241.86795 -230.16175 11.70620 2.89066 -230.18854 928.74947
1140.0000 -242.30597 -230.39722 11.90875 2.86651 -230.70540 901.38151
1145.0000 -241.56820 -228.42901 13.13920 2.95393 -228.83445 942.60043
1150.0000 -242.34961 -230.49535 11.85426 2.87063 -230.61715 908.93577
1155.0000 -241.29511 -229.41721 11.87790 2.86701 -230.69459 904.94337
1160.0000 -242.63609 -230.51947 12.11662 2.90376 -229.90808 926.13065
1165.0000 -242.92878 -231.61054 11.31824 2.89252 -230.14877 922.91377
1170.0000 -241.75649 -230.07309 11.68341 2.88680 -230.27106 914.79053
1175.0000 -242.03871 -231.64103 10.39769 2.83728 -231.33076 895.59250
1180.0000 -242.82231 -230.11822 12.70409 2.81834 -231.73621 869.70303
1185.0000 -242.73637 -229.62567 13.11070 2.89156 -230.16918 908.77364
1190.0000 -241.90763 -229.87992 12.02771 2.91922 -229.57719 918.21078
1195.0000 -239.27225 -226.24242 13.02983 3.00271 -227.79064 994.69507
1200.0000 -242.03882 -228.92291 13.11591 2.99793 -227.89279 999.24847
1205.0000 -239.62156 -229.70084 9.92072 2.94442 -229.03790 936.18683
1210.0000 -241.75087 -229.96496 11.78591 2.95909 -228.72414 963.82077
1215.0000 -242.80372 -229.22665 13.57708 2.90266 -229.93177 937.23309
1220.0000 -239.50879 -227.23599 12.27280 2.98175 -228.23916 978.73950
1225.0000 -242.29033 -229.22664 13.06369 2.97260 -228.43498 965.24500
1230.0000 -243.92857 -232.39932 11.52925 2.85934 -230.85876 908.70524
1235.0000 -243.44998 -231.96384 11.48614 2.79825 -232.16620 874.89974
1240.0000 -243.49069 -231.78859 11.70210 2.80258 -232.07346 861.03175
1245.0000 -241.99866 -228.17042 13.82824 2.88413 -230.32823 905.80927
1250.0000 -240.81642 -228.41491 12.40151 2.94093 -229.11260 960.09672
FREEZING PROCESS: loop number 6 T-loop= 901.00000000000000
main_MD> interactions number 6 at Temperature= 901.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 8.69958 6.70900 -1.49419
force_rgl> df(natom) -0.39952 -1.72471 -0.23691
1255.0000 -240.63856 -230.01019 10.62837 2.98907 -228.08255 973.85876
1260.0000 -241.33141 -227.87848 13.45293 2.97205 -228.44681 966.01180
1265.0000 -240.50016 -229.97236 10.52781 2.95772 -228.75334 953.32612
1270.0000 -241.50661 -230.36316 11.14345 2.89785 -230.03467 914.92949
1275.0000 -244.66169 -232.62710 12.03460 2.84191 -231.23181 905.36314
1280.0000 -242.77081 -231.58716 11.18365 2.81829 -231.73719 883.94056
1285.0000 -242.52819 -232.02384 10.50435 2.84077 -231.25607 911.77618
1290.0000 -242.89030 -231.03105 11.85926 2.85719 -230.90476 896.76614
1295.0000 -240.47398 -229.46166 11.01232 2.87046 -230.62078 910.49548
1300.0000 -243.08983 -231.97379 11.11604 2.84273 -231.21422 858.94537
1305.0000 -241.85457 -228.91201 12.94255 2.90736 -229.83107 914.07113
1310.0000 -242.60921 -231.34194 11.26727 2.86889 -230.65428 901.62586
1315.0000 -244.05247 -232.40120 11.65126 2.78958 -232.35163 855.35590
1320.0000 -241.66172 -230.45065 11.21107 2.90365 -229.91057 933.55641
1325.0000 -242.21072 -231.29931 10.91141 2.88846 -230.23568 915.72759
1330.0000 -241.64290 -229.22586 12.41704 2.89808 -230.02973 936.83184
1335.0000 -242.23373 -230.25040 11.98333 2.91316 -229.70697 928.63644
1340.0000 -241.80129 -230.24730 11.55399 2.90376 -229.90825 929.56174
1345.0000 -242.81473 -231.04657 11.76816 2.83204 -231.44297 889.06438
1350.0000 -242.74075 -231.01194 11.72881 2.87332 -230.55957 906.70330
1355.0000 -241.40954 -227.93864 13.47090 2.94179 -229.09428 941.38883
1360.0000 -242.07403 -230.88091 11.19311 2.91984 -229.56394 937.93718
1365.0000 -243.47462 -232.57878 10.89584 2.77833 -232.59235 861.87137
1370.0000 -244.29541 -232.78018 11.51524 2.86038 -230.83640 894.02003
1375.0000 -243.61278 -233.20693 10.40585 2.77769 -232.60602 860.07717
1380.0000 -243.46190 -231.92065 11.54125 2.78171 -232.52008 864.53395
1385.0000 -242.93480 -231.95576 10.97904 2.82762 -231.53767 877.62751
1390.0000 -243.88429 -231.32062 12.56368 2.87038 -230.62243 914.39686
1395.0000 -241.34654 -230.32946 11.01708 2.86309 -230.77845 885.87396
1400.0000 -243.15078 -233.02647 10.12431 2.85635 -230.92275 882.46856
1405.0000 -244.24324 -231.41567 12.82756 2.71803 -233.88294 828.43803
1410.0000 -242.99351 -233.26737 9.72614 2.79696 -232.19378 888.51730
1415.0000 -242.74439 -230.88694 11.85745 2.80132 -232.10046 878.02433
1420.0000 -242.63713 -232.64960 9.98753 2.82823 -231.52443 889.35302
1425.0000 -241.74593 -230.05007 11.69586 2.80190 -232.08797 871.50706
1430.0000 -242.92388 -229.69160 13.23228 2.91141 -229.74446 941.90461
1435.0000 -242.85860 -230.93769 11.92092 2.85785 -230.89063 878.51421
1440.0000 -243.16150 -231.01580 12.14570 2.84852 -231.09041 901.85160
1445.0000 -245.17888 -234.36860 10.81028 2.79465 -232.24314 866.29408
1450.0000 -243.16964 -231.02407 12.14557 2.79102 -232.32077 862.35361
1455.0000 -243.36544 -230.75847 12.60698 2.85105 -231.03616 928.27330
1460.0000 -241.94016 -230.57868 11.36148 2.84090 -231.25349 906.28119
1465.0000 -242.71837 -230.52739 12.19098 2.89502 -230.09512 943.36756
1470.0000 -242.81129 -233.02577 9.78553 2.83423 -231.39621 888.43036
1475.0000 -242.98321 -232.15709 10.82612 2.79743 -232.18373 862.44599
1480.0000 -244.32180 -234.74006 9.58173 2.73458 -233.52868 830.76326
1485.0000 -241.80343 -231.52878 10.27465 2.73901 -233.43387 824.91446
1490.0000 -242.07046 -231.03745 11.03302 2.86032 -230.83784 889.19957
1495.0000 -241.05065 -229.90620 11.14445 2.89294 -230.13968 922.76063
1500.0000 -243.05961 -230.60672 12.45289 2.88762 -230.25355 920.20951
FREEZING PROCESS: loop number 7 T-loop= 876.00000000000000
main_MD> interactions number 7 at Temperature= 876.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38862 1.01588 -1.46118
force_rgl> df(natom) 0.81808 -0.19998 -1.48876
1505.0000 -242.40466 -230.80509 11.59957 2.86145 -230.81359 903.32203
1510.0000 -242.39355 -230.92423 11.46932 2.85371 -230.97922 910.86493
1515.0000 -241.54400 -230.32065 11.22335 2.85026 -231.05311 914.09389
1520.0000 -243.46381 -232.92510 10.53872 2.83873 -231.29990 884.83405
1525.0000 -244.94251 -235.06598 9.87653 2.68522 -234.58501 790.35335
1530.0000 -244.83140 -235.27874 9.55265 2.68799 -234.52569 796.06108
1535.0000 -244.02847 -232.72115 11.30732 2.68649 -234.55778 786.96970
1540.0000 -244.22468 -234.29413 9.93055 2.72280 -233.78084 825.31399
1545.0000 -245.01490 -234.39717 10.61773 2.73789 -233.45794 839.73030
1550.0000 -243.18609 -231.88724 11.29884 2.77954 -232.56650 852.00966
1555.0000 -243.42976 -233.15704 10.27272 2.81308 -231.84875 890.36690
1560.0000 -244.73384 -234.90259 9.83125 2.74180 -233.37420 822.42081
1565.0000 -244.28573 -232.97038 11.31535 2.69528 -234.36963 835.27470
1570.0000 -243.23337 -232.81542 10.41796 2.79675 -232.19825 868.71642
1575.0000 -242.08027 -231.71230 10.36797 2.82582 -231.57605 872.72026
1580.0000 -241.58545 -230.42118 11.16427 2.83100 -231.46515 888.35869
1585.0000 -244.35464 -233.55608 10.79856 2.82685 -231.55405 887.73209
1590.0000 -245.35418 -232.91240 12.44178 2.70395 -234.18416 826.53989
1595.0000 -243.14106 -233.61443 9.52663 2.72556 -233.72174 841.63198
1600.0000 -244.10918 -232.96422 11.14496 2.75284 -233.13781 853.19332
1605.0000 -242.13700 -232.47424 9.66276 2.80271 -232.07060 877.45715
1610.0000 -244.07704 -232.58955 11.48748 2.81613 -231.78337 873.66456
1615.0000 -242.37521 -231.91861 10.45660 2.81209 -231.86994 876.08277
1620.0000 -240.34490 -229.87722 10.46768 2.83769 -231.32204 857.08267
1625.0000 -244.39387 -232.94553 11.44834 2.86107 -230.82178 880.68976
1630.0000 -244.68121 -234.42601 10.25521 2.77162 -232.73605 830.94877
1635.0000 -242.50961 -230.49220 12.01742 2.75731 -233.04225 853.04064
1640.0000 -242.10701 -230.25641 11.85060 2.88452 -230.31982 901.10067
1645.0000 -244.80621 -234.35970 10.44651 2.79660 -232.20139 867.47772
1650.0000 -243.24213 -232.50768 10.73445 2.77433 -232.67797 843.58655
1655.0000 -241.63120 -231.74915 9.88205 2.78945 -232.35452 840.41353
1660.0000 -242.81573 -231.58228 11.23345 2.82663 -231.55885 881.68453
1665.0000 -240.84193 -228.09487 12.74706 2.87469 -230.53034 911.82309
1670.0000 -240.60149 -229.75883 10.84266 2.91283 -229.71397 944.99539
1675.0000 -241.99961 -231.20963 10.78997 2.82694 -231.55219 878.61190
1680.0000 -244.05397 -232.70028 11.35369 2.81627 -231.78051 874.13201
1685.0000 -244.20844 -232.65136 11.55708 2.79641 -232.20539 863.98386
1690.0000 -243.01535 -231.84314 11.17221 2.78997 -232.34336 836.49148
1695.0000 -241.29216 -230.64807 10.64409 2.82881 -231.51203 861.06517
1700.0000 -243.81345 -232.40584 11.40761 2.88137 -230.38727 925.25350
1705.0000 -244.27663 -232.75438 11.52225 2.76909 -232.79016 863.23106
1710.0000 -241.64819 -230.02739 11.62080 2.82626 -231.56660 865.86150
1715.0000 -240.08965 -229.43686 10.65279 2.88294 -230.35373 921.10893
1720.0000 -242.28025 -231.45960 10.82065 2.85377 -230.97798 921.72618
1725.0000 -242.18177 -230.80232 11.37945 2.80818 -231.95360 879.69169
1730.0000 -243.92397 -233.04968 10.87428 2.80601 -232.00009 872.46486
1735.0000 -242.49657 -231.88938 10.60719 2.74978 -233.20342 824.61837
1740.0000 -244.52199 -232.62977 11.89222 2.77974 -232.56220 860.79157
1745.0000 -243.87184 -232.02004 11.85180 2.74841 -233.23267 850.64024
1750.0000 -242.35656 -231.51629 10.84027 2.84432 -231.18012 889.03008
FREEZING PROCESS: loop number 8 T-loop= 851.00000000000000
main_MD> interactions number 8 at Temperature= 851.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34556 -1.67877 1.17378
force_rgl> df(natom) 1.22484 -5.59119 3.37497
1755.0000 -243.38573 -232.63773 10.74800 2.78317 -232.48882 863.53485
1760.0000 -243.83630 -234.16551 9.67080 2.72025 -233.83530 797.50688
1765.0000 -243.90412 -234.40233 9.50179 2.69293 -234.42011 790.50827
1770.0000 -244.81282 -235.44033 9.37249 2.64079 -235.53582 762.52974
1775.0000 -245.43171 -235.07400 10.35771 2.66494 -235.01903 786.44853
1780.0000 -243.98194 -233.95917 10.02277 2.71325 -233.98506 840.17275
1785.0000 -245.37349 -234.85554 10.51795 2.70645 -234.13073 809.88021
1790.0000 -243.90478 -231.58092 12.32386 2.77168 -232.73475 860.18052
1795.0000 -244.28932 -233.85961 10.42972 2.70302 -234.20410 819.23884
1800.0000 -244.26527 -234.00949 10.25578 2.74730 -233.25637 831.79873
1805.0000 -243.64855 -233.99031 9.65824 2.71302 -233.99012 805.81375
1810.0000 -244.91911 -233.55057 11.36854 2.73123 -233.60046 843.30452
1815.0000 -242.92145 -231.66403 11.25743 2.76325 -232.91512 839.68568
1820.0000 -243.89252 -231.69322 12.19930 2.81558 -231.79535 888.39691
1825.0000 -243.05751 -232.46582 10.59169 2.78531 -232.44295 861.61327
1830.0000 -244.18117 -233.95269 10.22848 2.73987 -233.41545 829.73786
1835.0000 -242.63486 -231.82682 10.80804 2.80515 -232.01851 877.48131
1840.0000 -242.43360 -230.81347 11.62013 2.85478 -230.95645 879.82675
1845.0000 -243.34080 -232.45069 10.89011 2.84448 -231.17686 884.47146
1850.0000 -243.23888 -232.45418 10.78471 2.80520 -232.01740 865.24258
1855.0000 -241.38424 -230.42739 10.95684 2.81250 -231.86119 889.91280
1860.0000 -243.14656 -232.68466 10.46190 2.84590 -231.14631 857.43353
1865.0000 -242.32423 -232.47015 9.85408 2.77681 -232.62491 828.85315
1870.0000 -241.20457 -229.31445 11.89011 2.84921 -231.07562 888.01162
1875.0000 -240.46957 -228.08315 12.38641 2.95265 -228.86182 945.60496
1880.0000 -240.33152 -228.58531 11.74621 2.92348 -229.48619 943.95813
1885.0000 -240.90532 -229.07961 11.82571 2.95866 -228.73333 945.18650
1890.0000 -241.63261 -230.95565 10.67696 2.90548 -229.87142 922.83720
1895.0000 -241.62481 -231.79313 9.83169 2.79845 -232.16174 868.25849
1900.0000 -243.51310 -231.82737 11.68573 2.82327 -231.63058 866.89392
1905.0000 -244.63009 -233.25141 11.37867 2.72274 -233.78198 835.43761
1910.0000 -243.93414 -232.71655 11.21759 2.72044 -233.83135 816.16043
1915.0000 -244.94192 -234.29472 10.64720 2.74569 -233.29094 862.90061
1920.0000 -242.60641 -231.79095 10.81546 2.73811 -233.45313 817.89459
1925.0000 -242.75716 -231.36510 11.39206 2.83818 -231.31156 873.13182
1930.0000 -244.04350 -232.62958 11.41392 2.80369 -232.04961 852.68924
1935.0000 -243.41461 -231.80468 11.60993 2.77920 -232.57381 860.13236
1940.0000 -242.86246 -231.22165 11.64082 2.82327 -231.63065 893.03190
1945.0000 -244.21098 -234.37360 9.83738 2.77677 -232.62590 853.31234
1950.0000 -244.30577 -233.20753 11.09823 2.71151 -234.02244 821.69061
1955.0000 -244.68143 -233.34632 11.33511 2.73724 -233.47168 841.55328
1960.0000 -243.61517 -232.08217 11.53301 2.81205 -231.87068 873.78865
1965.0000 -244.64464 -234.83132 9.81332 2.75876 -233.01116 830.42735
1970.0000 -243.07643 -232.68304 10.39339 2.69256 -234.42787 796.45236
1975.0000 -241.99719 -230.77441 11.22278 2.78940 -232.35544 852.42108
1980.0000 -242.62738 -229.71313 12.91424 2.85457 -230.96084 894.64874
1985.0000 -243.83123 -233.12988 10.70136 2.81965 -231.70825 894.63579
1990.0000 -245.04345 -233.08688 11.95657 2.73530 -233.51321 836.16061
1995.0000 -245.24995 -234.12128 11.12866 2.69690 -234.33501 829.34889
2000.0000 -244.98861 -233.90207 11.08654 2.72192 -233.79951 845.44178
FREEZING PROCESS: loop number 9 T-loop= 826.00000000000000
main_MD> interactions number 9 at Temperature= 826.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45306 -3.61886 0.26598
force_rgl> df(natom) -0.69136 0.36879 1.46166
2005.0000 -246.53896 -235.55056 10.98840 2.65218 -235.29209 782.08055
2010.0000 -243.31212 -234.50694 8.80518 2.67474 -234.80933 786.93630
2015.0000 -245.07718 -235.12185 9.95533 2.66530 -235.01124 812.56281
2020.0000 -243.74934 -233.20026 10.54908 2.71820 -233.87933 804.93953
2025.0000 -245.59277 -236.15549 9.43728 2.67385 -234.82823 799.81508
2030.0000 -244.64964 -234.54936 10.10028 2.62486 -235.87669 764.22525
2035.0000 -246.08008 -235.62387 10.45621 2.65268 -235.28128 786.00038
2040.0000 -244.12189 -234.44652 9.67537 2.67810 -234.73739 795.03399
2045.0000 -242.96655 -232.51674 10.44981 2.71261 -233.99895 827.48527
2050.0000 -244.31445 -232.86621 11.44824 2.76858 -232.80110 826.44092
2055.0000 -242.82213 -231.71192 11.11020 2.79454 -232.24552 855.66800
2060.0000 -244.39227 -233.03726 11.35501 2.79749 -232.18243 863.13380
2065.0000 -243.01786 -231.05525 11.96261 2.80312 -232.06182 870.55830
2070.0000 -243.82379 -231.69140 12.13239 2.84542 -231.15663 876.87016
2075.0000 -246.28365 -235.69223 10.59142 2.71672 -233.91099 811.64148
2080.0000 -244.16507 -232.40894 11.75613 2.67813 -234.73670 800.94185
2085.0000 -243.62143 -231.64105 11.98039 2.80584 -232.00360 876.68023
2090.0000 -244.03085 -232.66195 11.36891 2.74634 -233.27691 845.55569
2095.0000 -245.40522 -235.02898 10.37625 2.71858 -233.87111 842.05087
2100.0000 -246.30003 -235.65404 10.64599 2.67253 -234.85661 786.53969
2105.0000 -244.94833 -235.07494 9.87340 2.64171 -235.51607 796.70299
2110.0000 -244.04083 -234.11126 9.92957 2.68233 -234.64691 797.08210
2115.0000 -242.45083 -232.37402 10.07681 2.66950 -234.92147 768.50613
2120.0000 -244.58195 -232.88023 11.70172 2.78481 -232.45376 847.97454
2125.0000 -244.99291 -233.53163 11.46128 2.73365 -233.54860 833.07485
2130.0000 -243.79130 -231.90370 11.88760 2.76261 -232.92893 864.76343
2135.0000 -246.33088 -234.88747 11.44341 2.75286 -233.13749 826.53390
2140.0000 -244.75067 -234.11749 10.63318 2.63447 -235.67103 785.71701
2145.0000 -244.22290 -234.52061 9.70229 2.70820 -234.09314 806.07036
2150.0000 -245.41689 -234.72266 10.69423 2.71024 -234.04958 812.01587
2155.0000 -246.46835 -234.13489 12.33346 2.73252 -233.57286 819.91535
2160.0000 -244.28947 -233.80411 10.48536 2.71559 -233.93509 820.89838
2165.0000 -245.06461 -235.19339 9.87122 2.65053 -235.32730 794.96246
2170.0000 -243.67771 -232.97789 10.69982 2.74135 -233.38387 828.58566
2175.0000 -243.35150 -234.28080 9.07070 2.73544 -233.51028 801.93042
2180.0000 -243.64777 -233.94233 9.70543 2.72324 -233.77132 822.06939
2185.0000 -244.46730 -234.82031 9.64699 2.69310 -234.41633 810.52303
2190.0000 -243.08969 -233.13350 9.95619 2.70692 -234.12070 792.66201
2195.0000 -246.68465 -235.56583 11.11882 2.71627 -233.92055 824.12462
2200.0000 -244.55859 -233.14748 11.41111 2.70444 -234.17359 783.42607
2205.0000 -244.21956 -232.02102 12.19854 2.77043 -232.76137 835.94757
2210.0000 -243.16738 -233.91249 9.25489 2.79556 -232.22361 883.19622
2215.0000 -243.92393 -232.81850 11.10542 2.73869 -233.44072 825.58114
2220.0000 -245.61972 -235.30644 10.31327 2.66638 -234.98818 762.46960
2225.0000 -245.19699 -234.00209 11.19490 2.69532 -234.36885 780.40356
2230.0000 -245.27901 -235.63287 9.64614 2.63138 -235.73711 758.65771
2235.0000 -246.01665 -235.40231 10.61433 2.66553 -235.00630 794.50580
2240.0000 -245.37740 -235.58541 9.79199 2.65385 -235.25642 769.84787
2245.0000 -246.23741 -236.75828 9.47913 2.59070 -236.60787 769.24217
2250.0000 -246.00909 -235.24644 10.76264 2.59426 -236.53163 758.83443
FREEZING PROCESS: loop number 10 T-loop= 801.00000000000000
main_MD> interactions number 10 at Temperature= 801.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65807 -1.78056 -2.57405
force_rgl> df(natom) 0.40396 0.29990 0.35065
2255.0000 -245.36648 -234.85535 10.51114 2.68906 -234.50273 803.87504
2260.0000 -245.32060 -236.02964 9.29096 2.69651 -234.34334 812.04604
2265.0000 -243.67912 -235.11461 8.56450 2.65301 -235.27429 775.16379
2270.0000 -245.28514 -235.99082 9.29432 2.63571 -235.64455 770.36418
2275.0000 -244.25844 -234.53745 9.72099 2.66148 -235.09300 789.19546
2280.0000 -246.62914 -237.10784 9.52130 2.63675 -235.62220 773.54531
2285.0000 -245.70503 -236.58777 9.11726 2.55498 -237.37222 723.18174
2290.0000 -246.14620 -235.64903 10.49717 2.60172 -236.37200 751.58872
2295.0000 -246.58120 -236.65416 9.92704 2.59256 -236.56791 735.84210
2300.0000 -246.01045 -236.21641 9.79404 2.59371 -236.54333 752.18676
2305.0000 -244.30086 -233.74940 10.55145 2.64879 -235.36463 775.00986
2310.0000 -246.08784 -236.65387 9.43398 2.64654 -235.41268 777.60067
2315.0000 -243.97169 -234.38244 9.58926 2.67333 -234.83943 797.11372
2320.0000 -245.41170 -235.64472 9.76698 2.66326 -235.05488 781.18517
2325.0000 -246.24257 -235.45183 10.79074 2.62058 -235.96826 749.18327
2330.0000 -245.07192 -235.40538 9.66655 2.66217 -235.07833 771.85804
2335.0000 -245.32569 -235.12047 10.20522 2.63526 -235.65416 779.24786
2340.0000 -243.33621 -233.89287 9.44333 2.65770 -235.17397 781.76508
2345.0000 -243.54600 -233.79175 9.75425 2.67927 -234.71243 790.42181
2350.0000 -244.01880 -233.19095 10.82785 2.73691 -233.47877 815.23781
2355.0000 -246.03808 -236.09274 9.94534 2.70646 -234.13049 797.67769
2360.0000 -245.71249 -235.65065 10.06184 2.65082 -235.32109 774.97697
2365.0000 -245.44963 -235.48671 9.96293 2.63919 -235.56998 770.79277
2370.0000 -245.05257 -235.14210 9.91047 2.68992 -234.48443 794.25999
2375.0000 -245.02114 -235.04289 9.97825 2.64939 -235.35184 776.78418
2380.0000 -244.71386 -235.77621 8.93764 2.66004 -235.12388 801.25459
2385.0000 -245.25882 -235.83102 9.42780 2.69103 -234.46063 806.41218
2390.0000 -247.60085 -237.09545 10.50540 2.56341 -237.19178 721.32176
2395.0000 -246.25821 -236.81309 9.44511 2.57480 -236.94801 753.15115
2400.0000 -245.34384 -234.95836 10.38548 2.61222 -236.14731 783.33964
2405.0000 -244.76176 -234.43567 10.32609 2.67961 -234.70500 795.05810
2410.0000 -246.20341 -236.24103 9.96238 2.65353 -235.26321 776.05704
2415.0000 -246.26136 -236.87536 9.38600 2.56582 -237.14028 732.49777
2420.0000 -244.85673 -235.10468 9.75204 2.63241 -235.71524 790.27863
2425.0000 -244.99223 -234.35397 10.63825 2.63262 -235.71076 783.27047
2430.0000 -246.66394 -236.53822 10.12573 2.65801 -235.16742 774.27311
2435.0000 -245.34103 -235.61118 9.72985 2.60671 -236.26527 743.35280
2440.0000 -245.70305 -234.28993 11.41312 2.64968 -235.34568 776.53169
2445.0000 -244.98423 -235.31732 9.66691 2.65782 -235.17132 773.93944
2450.0000 -244.34081 -234.35451 9.98630 2.69807 -234.31002 804.12569
2455.0000 -244.67853 -235.24087 9.43766 2.69413 -234.39439 807.18616
2460.0000 -244.51626 -234.25798 10.25829 2.69783 -234.31521 817.00349
2465.0000 -244.44839 -234.63377 9.81462 2.73681 -233.48102 834.41364
2470.0000 -245.82826 -235.51429 10.31396 2.65932 -235.13922 779.70137
2475.0000 -248.27724 -238.08699 10.19025 2.56576 -237.14153 748.49160
2480.0000 -245.45828 -236.40582 9.05246 2.60285 -236.34769 739.86988
2485.0000 -245.92420 -236.94521 8.97899 2.59673 -236.47872 740.90697
2490.0000 -243.90158 -234.49061 9.41097 2.60850 -236.22685 750.33277
2495.0000 -244.55076 -234.64835 9.90241 2.69014 -234.47978 779.63530
2500.0000 -244.45587 -235.65182 8.80404 2.66820 -234.94934 775.93230
FREEZING PROCESS: loop number 11 T-loop= 776.00000000000000
main_MD> interactions number 11 at Temperature= 776.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56312 -2.62954 -0.18293
force_rgl> df(natom) -1.25026 -2.21507 -1.09611
2505.0000 -244.83660 -236.04956 8.78704 2.63827 -235.58975 780.44642
2510.0000 -244.33973 -234.60909 9.73064 2.61358 -236.11806 750.71302
2515.0000 -246.83315 -235.73202 11.10112 2.64380 -235.47140 783.79524
2520.0000 -245.74504 -236.15127 9.59377 2.63823 -235.59065 767.25809
2525.0000 -245.69955 -235.51570 10.18385 2.61208 -236.15022 729.78218
2530.0000 -245.36880 -235.81601 9.55279 2.58172 -236.79990 721.48233
2535.0000 -244.05242 -235.32586 8.72656 2.63043 -235.75756 744.76352
2540.0000 -244.85932 -234.46235 10.39697 2.67174 -234.87350 793.14474
2545.0000 -245.56996 -236.74193 8.82803 2.61316 -236.12723 757.80142
2550.0000 -244.67845 -236.21159 8.46686 2.60171 -236.37207 746.56262
2555.0000 -244.56788 -235.16483 9.40305 2.68897 -234.50473 792.45643
2560.0000 -245.36401 -233.85479 11.50921 2.66059 -235.11211 782.54673
2565.0000 -243.16928 -233.12227 10.04701 2.75272 -233.14057 825.86148
2570.0000 -246.07599 -233.49039 12.58560 2.75573 -233.07599 829.67088
2575.0000 -245.47419 -235.50525 9.96894 2.67701 -234.76081 791.40710
2580.0000 -246.13146 -235.83530 10.29617 2.67864 -234.72593 800.10273
2585.0000 -244.67733 -234.26556 10.41178 2.65774 -235.17312 778.13469
2590.0000 -244.57947 -235.02699 9.55249 2.69054 -234.47111 810.37713
2595.0000 -245.27436 -236.75388 8.52048 2.65571 -235.21646 777.43600
2600.0000 -244.81668 -235.03486 9.78182 2.62141 -235.95049 736.16973
2605.0000 -244.27599 -235.89353 8.38246 2.71011 -234.05242 808.53446
2610.0000 -243.66466 -233.53186 10.13279 2.68622 -234.56359 788.75709
2615.0000 -244.90818 -233.63643 11.27175 2.75631 -233.06360 848.11077
2620.0000 -244.54936 -234.84934 9.70002 2.67856 -234.72760 778.69052
2625.0000 -244.95106 -233.40720 11.54386 2.71372 -233.97508 821.42738
2630.0000 -244.28803 -234.22843 10.05960 2.73501 -233.51946 821.21376
2635.0000 -245.52467 -235.69458 9.83009 2.65483 -235.23545 791.29751
2640.0000 -246.85685 -238.78244 8.07441 2.61893 -236.00374 765.02047
2645.0000 -245.58647 -236.41294 9.17352 2.54830 -237.51506 709.06201
2650.0000 -245.77063 -235.34706 10.42356 2.62952 -235.77703 782.64291
2655.0000 -245.69834 -235.82897 9.86937 2.62686 -235.83396 778.97181
2660.0000 -247.59002 -237.91728 9.67274 2.58760 -236.67416 755.26046
2665.0000 -247.67005 -239.38361 8.28644 2.49175 -238.72534 705.23290
2670.0000 -246.59167 -238.08304 8.50863 2.52935 -237.92062 712.89492
2675.0000 -244.26621 -234.58977 9.67645 2.60991 -236.19676 753.24084
2680.0000 -245.62409 -235.96892 9.65517 2.66875 -234.93758 781.40690
2685.0000 -244.81961 -235.10164 9.71796 2.59289 -236.56094 740.91630
2690.0000 -246.02941 -237.74200 8.28742 2.60132 -236.38056 752.48034
2695.0000 -243.11968 -233.83973 9.27995 2.64145 -235.52177 755.01777
2700.0000 -244.68350 -236.10411 8.57939 2.67837 -234.73158 788.98760
2705.0000 -245.73002 -235.53700 10.19302 2.58337 -236.76475 724.04833
2710.0000 -243.92811 -234.25619 9.67191 2.62804 -235.80859 771.64579
2715.0000 -244.20452 -232.46185 11.74267 2.71355 -233.97881 804.44464
2720.0000 -244.88185 -235.14226 9.73960 2.66712 -234.97246 799.59429
2725.0000 -243.45759 -233.57761 9.87997 2.75392 -233.11477 836.09491
2730.0000 -245.94331 -235.87312 10.07019 2.69862 -234.29814 805.42488
2735.0000 -245.96859 -236.48240 9.48618 2.62782 -235.81350 749.31523
2740.0000 -247.12476 -236.40389 10.72087 2.60206 -236.36472 755.83184
2745.0000 -245.13728 -234.84031 10.29697 2.66390 -235.04134 797.02223
2750.0000 -243.80022 -232.83942 10.96080 2.71767 -233.89061 803.75855
FREEZING PROCESS: loop number 12 T-loop= 751.00000000000000
main_MD> interactions number 12 at Temperature= 751.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.16188 2.94519 -0.69087
force_rgl> df(natom) -2.23001 1.27742 -2.56123
2755.0000 -244.18441 -234.28353 9.90088 2.74687 -233.26575 824.04227
2760.0000 -244.83659 -235.29317 9.54343 2.65549 -235.22119 755.70778
2765.0000 -245.78694 -235.60111 10.18583 2.65553 -235.22038 775.87853
2770.0000 -246.06770 -236.12497 9.94273 2.63856 -235.58345 773.16807
2775.0000 -245.82814 -235.53788 10.29026 2.62136 -235.95156 769.83118
2780.0000 -246.54663 -236.41983 10.12680 2.62479 -235.87834 798.55279
2785.0000 -245.46000 -234.76148 10.69852 2.63594 -235.63955 768.31948
2790.0000 -245.08939 -234.06148 11.02792 2.70126 -234.24183 820.07158
2795.0000 -244.44084 -235.63003 8.81082 2.69139 -234.45302 792.40341
2800.0000 -245.44052 -235.21954 10.22098 2.66874 -234.93771 817.18683
2805.0000 -244.27268 -235.64588 8.62681 2.66401 -235.03893 778.55250
2810.0000 -245.52961 -236.62349 8.90613 2.60374 -236.32869 737.71988
2815.0000 -247.46983 -237.53264 9.93720 2.60940 -236.20759 759.77203
2820.0000 -246.37973 -237.13680 9.24292 2.58933 -236.63702 754.91100
2825.0000 -247.80496 -238.75443 9.05053 2.52094 -238.10062 721.56015
2830.0000 -245.37157 -235.64598 9.72559 2.59245 -236.57027 756.27791
2835.0000 -243.40340 -233.03585 10.36755 2.69795 -234.31253 810.86890
2840.0000 -245.16489 -235.64139 9.52350 2.70458 -234.17078 786.93239
2845.0000 -245.42943 -235.93461 9.49483 2.61881 -236.00615 747.26502
2850.0000 -247.10973 -237.61064 9.49909 2.61669 -236.05162 769.09278
2855.0000 -246.21546 -237.52675 8.68871 2.55288 -237.41718 723.57664
2860.0000 -246.35942 -237.17744 9.18198 2.57678 -236.90559 741.00333
2865.0000 -246.02637 -235.18036 10.84601 2.59805 -236.45050 755.91482
2870.0000 -245.21066 -235.05206 10.15859 2.64462 -235.45384 776.83975
2875.0000 -246.16676 -236.30554 9.86123 2.61917 -235.99852 761.17810
2880.0000 -245.46423 -235.18850 10.27573 2.58915 -236.64101 763.80892
2885.0000 -246.39170 -236.81466 9.57704 2.61923 -235.99720 773.08875
2890.0000 -245.63453 -236.10424 9.53029 2.58174 -236.79956 742.18079
2895.0000 -246.38807 -236.60914 9.77893 2.58208 -236.79228 758.55874
2900.0000 -244.41599 -235.12358 9.29242 2.64337 -235.48070 766.37508
2905.0000 -245.40031 -235.95062 9.44968 2.62612 -235.84985 765.42012
2910.0000 -245.40294 -236.26413 9.13881 2.62178 -235.94255 779.67727
2915.0000 -246.17955 -236.92873 9.25082 2.61977 -235.98576 766.43255
2920.0000 -246.45871 -237.83127 8.62744 2.56962 -237.05898 728.95161
2925.0000 -244.84822 -236.87422 7.97400 2.59793 -236.45297 738.48434
2930.0000 -245.79088 -235.67248 10.11841 2.61233 -236.14498 754.48014
2935.0000 -246.53601 -236.13607 10.39994 2.63859 -235.58285 788.94404
2940.0000 -246.22163 -237.80535 8.41628 2.62531 -235.86717 755.27845
2945.0000 -247.43341 -238.13128 9.30213 2.52598 -237.99290 694.09323
2950.0000 -246.74603 -237.56813 9.17790 2.52585 -237.99570 700.82896
2955.0000 -246.73762 -236.66758 10.07003 2.57685 -236.90412 723.88290
2960.0000 -245.23986 -234.12157 11.11829 2.62865 -235.79560 762.53917
2965.0000 -244.88063 -235.46098 9.41965 2.66455 -235.02728 793.25608
2970.0000 -245.45045 -235.33044 10.12001 2.63735 -235.60942 769.85486
2975.0000 -245.88531 -236.44553 9.43978 2.62237 -235.92999 746.36269
2980.0000 -246.38939 -236.49209 9.89731 2.60632 -236.27352 742.03679
2985.0000 -246.36974 -236.77475 9.59499 2.60918 -236.21225 753.42206
2990.0000 -245.08759 -235.44372 9.64387 2.63726 -235.61142 741.30812
2995.0000 -243.98560 -234.08715 9.89845 2.65050 -235.32806 766.06484
3000.0000 -246.03373 -235.25647 10.77726 2.70231 -234.21923 806.61415
FREEZING PROCESS: loop number 13 T-loop= 726.00000000000000
main_MD> interactions number 13 at Temperature= 726.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.34235 -0.78501 -3.01445
force_rgl> df(natom) -0.14060 1.59436 3.08631
3005.0000 -245.37941 -236.15791 9.22150 2.59778 -236.45620 735.28082
3010.0000 -244.54053 -235.13012 9.41041 2.68235 -234.64653 795.40049
3015.0000 -245.38141 -236.44907 8.93234 2.64085 -235.53462 773.00468
3020.0000 -247.75166 -239.56391 8.18775 2.49551 -238.64500 662.93265
3025.0000 -247.53005 -238.70873 8.82131 2.48325 -238.90736 692.21276
3030.0000 -247.50059 -239.21355 8.28704 2.48305 -238.91147 686.99313
3035.0000 -247.37114 -237.73150 9.63965 2.49600 -238.63436 690.17870
3040.0000 -246.59229 -235.96507 10.62722 2.59740 -236.46443 737.82252
3045.0000 -246.93753 -237.62866 9.30888 2.64386 -235.47015 784.99813
3050.0000 -247.02260 -239.25610 7.76650 2.49311 -238.69634 684.93108
3055.0000 -246.73955 -238.34254 8.39701 2.46981 -239.19483 680.63601
3060.0000 -246.69758 -236.52061 10.17697 2.55738 -237.32080 738.66085
3065.0000 -247.84170 -238.43606 9.40565 2.55212 -237.43337 740.01711
3070.0000 -247.24581 -239.02073 8.22508 2.45200 -239.57605 664.95023
3075.0000 -247.97663 -239.48973 8.48690 2.47614 -239.05952 684.27037
3080.0000 -248.21335 -239.13628 9.07706 2.46984 -239.19428 668.41232
3085.0000 -248.25848 -238.40897 9.84951 2.47196 -239.14878 679.81241
3090.0000 -246.58081 -237.78335 8.79746 2.48746 -238.81711 691.92593
3095.0000 -247.81181 -237.92409 9.88773 2.51397 -238.24979 704.35235
3100.0000 -247.91292 -238.03027 9.88265 2.54427 -237.60134 734.10462
3105.0000 -246.33138 -235.98283 10.34855 2.56585 -237.13964 730.46956
3110.0000 -245.89270 -235.64424 10.24846 2.66275 -235.06581 792.43145
3115.0000 -245.19437 -236.02973 9.16465 2.61857 -236.01125 765.29757
3120.0000 -246.70308 -237.58686 9.11622 2.58393 -236.75263 741.62183
3125.0000 -245.43642 -235.59557 9.84085 2.56849 -237.08311 738.69692
3130.0000 -246.67410 -236.44061 10.23350 2.57541 -236.93507 730.22992
3135.0000 -245.81180 -237.39937 8.41242 2.56559 -237.14515 736.34398
3140.0000 -247.62274 -239.59658 8.02616 2.48588 -238.85108 691.52928
3145.0000 -247.88758 -238.06588 9.82170 2.46892 -239.21402 672.25694
3150.0000 -246.51084 -238.54298 7.96787 2.50916 -238.35271 700.68317
3155.0000 -246.31549 -237.71143 8.60406 2.52401 -238.03494 712.83853
3160.0000 -247.44681 -238.01668 9.43014 2.51990 -238.12283 697.65040
3165.0000 -246.41710 -236.49705 9.92005 2.56363 -237.18701 754.58918
3170.0000 -247.00990 -236.81068 10.19922 2.60813 -236.23470 765.59455
3175.0000 -246.16886 -236.62731 9.54155 2.56782 -237.09741 758.62748
3180.0000 -245.45094 -236.25417 9.19678 2.59968 -236.41560 753.07557
3185.0000 -247.39183 -237.79176 9.60007 2.60965 -236.20227 744.09556
3190.0000 -247.26270 -236.94895 10.31376 2.56911 -237.06984 738.36534
3195.0000 -246.66497 -236.94700 9.71796 2.56919 -237.06809 755.43015
3200.0000 -247.23071 -238.19354 9.03717 2.53866 -237.72152 729.11770
3205.0000 -246.38197 -237.59489 8.78708 2.51278 -238.27530 723.75742
3210.0000 -246.45140 -236.77246 9.67894 2.58033 -236.82977 744.86769
3215.0000 -247.36791 -237.45202 9.91589 2.58971 -236.62889 734.98508
3220.0000 -246.78058 -237.04818 9.73240 2.55267 -237.42157 720.00306
3225.0000 -248.49676 -239.85985 8.63691 2.52423 -238.03036 719.48028
3230.0000 -248.56317 -237.71039 10.85278 2.48884 -238.78759 677.36554
3235.0000 -247.72566 -238.49858 9.22709 2.55162 -237.44405 724.26372
3240.0000 -244.15135 -233.67163 10.47973 2.62024 -235.97554 756.82266
3245.0000 -248.16996 -238.46195 9.70801 2.63321 -235.69808 761.23549
3250.0000 -248.30555 -238.99618 9.30937 2.52589 -237.99480 693.60843
FREEZING PROCESS: loop number 14 T-loop= 701.00000000000000
main_MD> interactions number 14 at Temperature= 701.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33473 -0.87337 -1.58113
force_rgl> df(natom) 1.92664 1.47959 -1.19486
3255.0000 -247.07617 -238.63613 8.44004 2.49321 -238.69421 694.09122
3260.0000 -248.20857 -240.80212 7.40645 2.46124 -239.37823 654.66801
3265.0000 -248.41193 -239.23878 9.17315 2.47687 -239.04389 682.86191
3270.0000 -245.58808 -237.90278 7.68530 2.50551 -238.43096 697.59320
3275.0000 -247.33697 -237.96461 9.37236 2.54496 -237.58670 716.14502
3280.0000 -248.35356 -239.59620 8.75736 2.49148 -238.73117 669.81649
3285.0000 -247.84471 -238.84900 8.99571 2.46222 -239.35738 680.18127
3290.0000 -247.91355 -238.95787 8.95568 2.51519 -238.22369 724.86864
3295.0000 -249.03053 -239.30793 9.72259 2.47378 -239.10990 716.71328
3300.0000 -248.24010 -239.79872 8.44138 2.47203 -239.14732 708.13200
3305.0000 -246.76092 -237.62260 9.13831 2.48851 -238.79477 704.02981
3310.0000 -248.24348 -239.23650 9.00698 2.50947 -238.34609 703.02963
3315.0000 -247.43012 -239.67297 7.75714 2.43592 -239.92005 656.94456
3320.0000 -249.84269 -242.11971 7.72297 2.40109 -240.66556 633.76728
3325.0000 -249.45388 -240.96442 8.48946 2.35773 -241.59341 631.35545
3330.0000 -249.61217 -241.11336 8.49881 2.40121 -240.66295 680.44003
3335.0000 -247.00596 -239.17002 7.83594 2.41480 -240.37207 661.85546
3340.0000 -248.28300 -240.19768 8.08532 2.44698 -239.68342 668.60510
3345.0000 -247.38154 -239.31219 8.06935 2.45681 -239.47314 675.23166
3350.0000 -247.41450 -237.94974 9.46476 2.52195 -238.07902 682.82186
3355.0000 -249.30185 -240.58987 8.71198 2.46363 -239.32721 677.33896
3360.0000 -246.77717 -238.30040 8.47677 2.46322 -239.33584 674.79195
3365.0000 -248.20898 -238.87496 9.33403 2.48421 -238.88667 700.45889
3370.0000 -248.39604 -240.12528 8.27076 2.41983 -240.26441 653.47388
3375.0000 -249.12694 -240.95716 8.16978 2.39912 -240.70771 639.58820
3380.0000 -247.37993 -238.04963 9.33031 2.41763 -240.31146 647.20602
3385.0000 -247.32205 -239.82190 7.50016 2.47078 -239.17423 683.43925
3390.0000 -247.93742 -240.05836 7.87905 2.43581 -239.92249 673.04364
3395.0000 -247.98144 -240.82265 7.15879 2.41893 -240.28366 640.40451
3400.0000 -246.90873 -239.07991 7.82882 2.41549 -240.35742 631.60198
3405.0000 -248.08164 -239.71649 8.36514 2.47850 -239.00898 682.39934
3410.0000 -247.56635 -238.82388 8.74247 2.47120 -239.16506 669.32117
3415.0000 -248.99121 -239.56867 9.42254 2.48243 -238.92491 681.73744
3420.0000 -247.46755 -239.18413 8.28341 2.46105 -239.38227 664.46097
3425.0000 -247.66403 -238.75342 8.91061 2.48100 -238.95534 675.87913
3430.0000 -247.05806 -238.00068 9.05738 2.48964 -238.77062 685.77193
3435.0000 -248.78990 -238.54827 10.24163 2.49497 -238.65636 693.62828
3440.0000 -246.79088 -236.64534 10.14554 2.55028 -237.47271 750.15191
3445.0000 -246.50980 -235.86185 10.64795 2.59164 -236.58757 740.65292
3450.0000 -246.16958 -235.87651 10.29307 2.62040 -235.97215 770.26939
3455.0000 -245.94032 -236.78767 9.15264 2.58958 -236.63165 738.72315
3460.0000 -246.76080 -237.87975 8.88105 2.54143 -237.66227 712.54955
3465.0000 -246.04429 -237.62271 8.42158 2.54387 -237.60992 709.30119
3470.0000 -247.36866 -238.96013 8.40853 2.52783 -237.95326 701.90756
3475.0000 -246.18369 -236.10693 10.07675 2.54731 -237.53632 728.28434
3480.0000 -247.23240 -238.67319 8.55921 2.57100 -237.02938 728.99224
3485.0000 -247.34856 -238.59835 8.75021 2.46013 -239.40209 673.67878
3490.0000 -248.00972 -238.81672 9.19300 2.47006 -239.18953 668.22020
3495.0000 -247.61725 -239.34784 8.26941 2.46809 -239.23166 674.53423
3500.0000 -249.11138 -239.66789 9.44349 2.44665 -239.69042 678.43080
FREEZING PROCESS: loop number 15 T-loop= 676.00000000000000
main_MD> interactions number 15 at Temperature= 676.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85431 2.42164 0.03364
force_rgl> df(natom) -1.22573 -3.97358 1.22058
3505.0000 -247.37797 -238.04026 9.33771 2.47228 -239.14211 694.55469
3510.0000 -247.56390 -239.74769 7.81621 2.47224 -239.14281 668.77857
3515.0000 -247.91014 -238.95334 8.95680 2.48424 -238.88617 694.32098
3520.0000 -247.46912 -237.84973 9.61939 2.52915 -237.92503 723.91443
3525.0000 -247.88027 -238.96552 8.91476 2.51703 -238.18436 687.57263
3530.0000 -248.94951 -239.57339 9.37612 2.45455 -239.52138 661.56020
3535.0000 -246.97038 -239.58411 7.38627 2.46499 -239.29804 673.04980
3540.0000 -247.81764 -239.93983 7.87781 2.42588 -240.13494 645.84559
3545.0000 -247.77271 -239.38946 8.38325 2.45365 -239.54063 662.26624
3550.0000 -249.78975 -240.18008 9.60967 2.42797 -240.09038 656.52446
3555.0000 -248.30746 -239.46096 8.84650 2.41745 -240.31537 673.45369
3560.0000 -249.12767 -240.44465 8.68302 2.43386 -239.96424 657.38280
3565.0000 -248.47509 -239.51945 8.95564 2.40589 -240.56275 653.03539
3570.0000 -247.10615 -238.78195 8.32420 2.43978 -239.83764 662.98961
3575.0000 -247.62291 -238.55887 9.06404 2.48045 -238.96722 678.58784
3580.0000 -248.07670 -239.87637 8.20033 2.46667 -239.26212 654.40372
3585.0000 -248.32513 -240.22460 8.10054 2.46374 -239.32477 654.55537
3590.0000 -247.13689 -238.64223 8.49467 2.43325 -239.97732 639.34591
3595.0000 -245.95020 -237.68324 8.26696 2.51664 -238.19268 689.32620
3600.0000 -248.26383 -237.74018 10.52365 2.56812 -237.09108 726.66817
3605.0000 -247.68174 -239.59711 8.08463 2.50561 -238.42880 699.90477
3610.0000 -246.16639 -238.27531 7.89108 2.47606 -239.06116 666.90467
3615.0000 -246.88252 -237.91102 8.97149 2.50470 -238.44825 690.69843
3620.0000 -245.24783 -237.26523 7.98261 2.52932 -237.92128 689.26595
3625.0000 -248.75510 -239.63874 9.11636 2.52768 -237.95643 713.35161
3630.0000 -248.30043 -240.25234 8.04810 2.42164 -240.22571 637.02947
3635.0000 -248.67519 -241.04069 7.63450 2.40294 -240.62602 648.98426
3640.0000 -247.56907 -239.21958 8.34948 2.44600 -239.70441 657.60467
3645.0000 -246.90163 -239.56949 7.33213 2.44521 -239.72135 659.11368
3650.0000 -246.89879 -237.55477 9.34402 2.49540 -238.64714 669.63040
3655.0000 -246.74424 -237.13767 9.60657 2.55910 -237.28404 719.93062
3660.0000 -247.84296 -239.23486 8.60810 2.48596 -238.84934 679.56781
3665.0000 -247.85217 -238.62249 9.22969 2.45621 -239.48589 669.05875
3670.0000 -247.11935 -238.41380 8.70555 2.50956 -238.34422 709.57400
3675.0000 -248.15222 -238.91080 9.24142 2.50454 -238.45169 688.71541
3680.0000 -246.74903 -237.77855 8.97048 2.50940 -238.34755 678.18468
3685.0000 -246.92795 -237.32364 9.60431 2.51508 -238.22607 709.85649
3690.0000 -246.61321 -238.56270 8.05051 2.53106 -237.88416 718.92699
3695.0000 -246.42621 -236.84889 9.57733 2.54334 -237.62130 709.35151
3700.0000 -246.78727 -239.05598 7.73129 2.50657 -238.40828 681.11709
3705.0000 -247.09132 -237.87003 9.22129 2.47725 -239.03576 636.77176
3710.0000 -248.18766 -238.60184 9.58581 2.49754 -238.60154 709.86141
3715.0000 -248.05703 -239.17359 8.88345 2.46711 -239.25256 664.02842
3720.0000 -247.59323 -239.87263 7.72060 2.47372 -239.11116 659.74893
3725.0000 -247.99062 -238.78093 9.20970 2.49241 -238.71129 661.19733
3730.0000 -247.53497 -238.86221 8.67276 2.46919 -239.20806 657.88533
3735.0000 -247.29658 -239.54514 7.75144 2.48477 -238.87464 669.53510
3740.0000 -248.72033 -240.99993 7.72039 2.44394 -239.74853 637.24642
3745.0000 -246.73845 -238.16201 8.57644 2.48659 -238.83571 669.52048
3750.0000 -248.53773 -239.05445 9.48328 2.47407 -239.10373 664.42169
FREEZING PROCESS: loop number 16 T-loop= 651.00000000000000
main_MD> interactions number 16 at Temperature= 651.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.52057 5.50863 -0.79150
force_rgl> df(natom) -2.78802 1.85053 -0.90266
3755.0000 -247.20505 -238.64505 8.56000 2.52090 -238.10159 697.68578
3760.0000 -248.65596 -240.17261 8.48336 2.45921 -239.42164 657.80855
3765.0000 -248.66609 -239.99807 8.66802 2.44524 -239.72061 660.03648
3770.0000 -248.36757 -240.07536 8.29221 2.41002 -240.47435 640.00690
3775.0000 -247.62493 -238.96684 8.65809 2.44512 -239.72327 662.92545
3780.0000 -245.91019 -237.67852 8.23168 2.50907 -238.35467 696.30306
3785.0000 -248.75651 -239.48144 9.27507 2.50576 -238.42545 687.48261
3790.0000 -248.33160 -240.45530 7.87630 2.42952 -240.05721 657.81793
3795.0000 -247.52899 -240.18788 7.34111 2.42952 -240.05719 648.06843
3800.0000 -249.05339 -239.33222 9.72118 2.44471 -239.73208 667.27123
3805.0000 -248.10232 -239.71677 8.38555 2.43464 -239.94761 662.12149
3810.0000 -248.15223 -239.92007 8.23216 2.45242 -239.56712 669.76107
3815.0000 -247.17513 -239.09451 8.08062 2.46610 -239.27437 681.72335
3820.0000 -248.21444 -239.53846 8.67598 2.46743 -239.24584 693.22523
3825.0000 -247.56735 -239.41013 8.15721 2.46752 -239.24392 679.95484
3830.0000 -247.12010 -238.16542 8.95468 2.48463 -238.87764 678.67069
3835.0000 -248.81638 -239.84101 8.97538 2.51534 -238.22049 723.81183
3840.0000 -248.52642 -240.82674 7.69968 2.39700 -240.75299 645.88408
3845.0000 -251.03191 -240.78253 10.24938 2.40693 -240.54047 701.57010
3850.0000 -247.86667 -238.99676 8.86991 2.42198 -240.21837 671.69834
3855.0000 -248.01508 -239.10322 8.91186 2.48927 -238.77845 703.29247
3860.0000 -247.04270 -239.02030 8.02240 2.47995 -238.97789 692.79441
3865.0000 -250.12687 -241.48558 8.64129 2.39018 -240.89903 637.81724
3870.0000 -247.88035 -238.26638 9.61397 2.44576 -239.70953 661.35036
3875.0000 -248.04738 -240.24135 7.80604 2.47713 -239.03821 663.63103
3880.0000 -249.09287 -241.30332 7.78955 2.40954 -240.48467 650.52405
3885.0000 -249.17543 -240.84518 8.33025 2.39159 -240.86881 634.93199
3890.0000 -250.05023 -241.78419 8.26604 2.41375 -240.39459 651.98913
3895.0000 -248.83605 -238.92904 9.90701 2.42817 -240.08603 683.59880
3900.0000 -247.85384 -240.00209 7.85176 2.42667 -240.11807 655.48734
3905.0000 -247.42624 -238.74635 8.67989 2.49622 -238.62974 698.33646
3910.0000 -248.29098 -239.81543 8.47555 2.48382 -238.89498 683.22375
3915.0000 -248.53774 -240.60743 7.93031 2.40365 -240.61085 615.59709
3920.0000 -246.92853 -239.39174 7.53678 2.42711 -240.10864 644.47872
3925.0000 -249.41820 -240.66155 8.75665 2.42437 -240.16739 652.10673
3930.0000 -248.90939 -240.21443 8.69496 2.43649 -239.90786 647.25854
3935.0000 -249.92994 -240.60375 9.32619 2.40743 -240.52980 653.02456
3940.0000 -248.31785 -240.07654 8.24131 2.41305 -240.40965 625.96842
3945.0000 -249.32659 -241.96338 7.36321 2.38949 -240.91369 618.64045
3950.0000 -248.84985 -240.65980 8.19005 2.35917 -241.56273 619.27436
3955.0000 -248.03086 -241.35037 6.68048 2.41505 -240.36676 650.65407
3960.0000 -250.54127 -242.95479 7.58648 2.30915 -242.63313 581.61815
3965.0000 -249.42143 -242.14955 7.27187 2.32401 -242.31510 575.76693
3970.0000 -249.28276 -241.53603 7.74673 2.34641 -241.83570 588.89025
3975.0000 -248.31935 -239.94654 8.37280 2.39054 -240.89130 615.65844
3980.0000 -247.04151 -238.13405 8.90746 2.49323 -238.69377 682.52259
3985.0000 -249.07967 -239.64107 9.43861 2.48470 -238.87618 687.35097
3990.0000 -247.96351 -239.82678 8.13673 2.43029 -240.04064 666.34557
3995.0000 -248.30051 -239.77899 8.52152 2.43810 -239.87339 641.48744
4000.0000 -247.90426 -239.14967 8.75458 2.44058 -239.82049 650.38262
FREEZING PROCESS: loop number 17 T-loop= 626.00000000000000
main_MD> interactions number 17 at Temperature= 626.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61033 -2.40992 -1.82853
force_rgl> df(natom) -2.13300 -0.50859 -0.31244
4005.0000 -248.47276 -239.52281 8.94995 2.45939 -239.41788 647.98778
4010.0000 -246.28495 -238.30999 7.97496 2.48903 -238.78367 679.28191
4015.0000 -249.05771 -240.54798 8.50973 2.48328 -238.90664 668.88462
4020.0000 -249.10208 -240.67618 8.42591 2.41113 -240.45062 631.70867
4025.0000 -248.00356 -240.44360 7.55995 2.37687 -241.18390 629.47670
4030.0000 -249.12281 -240.61307 8.50974 2.41420 -240.38506 647.76106
4035.0000 -249.24844 -241.90344 7.34500 2.35904 -241.56552 587.13234
4040.0000 -247.44772 -240.24793 7.19979 2.36743 -241.38583 608.51026
4045.0000 -248.73618 -240.45544 8.28075 2.43762 -239.88378 641.59143
4050.0000 -250.13482 -241.65793 8.47688 2.37660 -241.18954 621.40512
4055.0000 -249.44130 -240.82851 8.61279 2.38991 -240.90472 625.21325
4060.0000 -250.24439 -242.94495 7.29944 2.35273 -241.70046 607.36411
4065.0000 -249.68728 -241.80725 7.88004 2.32732 -242.24426 576.45923
4070.0000 -251.38434 -244.05895 7.32538 2.31027 -242.60921 582.73753
4075.0000 -249.73703 -242.90543 6.83160 2.27019 -243.46679 557.90347
4080.0000 -248.28356 -239.81547 8.46809 2.37984 -241.12034 616.16366
4085.0000 -248.90432 -241.09150 7.81282 2.42782 -240.09340 639.45059
4090.0000 -250.09388 -242.44649 7.64738 2.32839 -242.22124 590.55581
4095.0000 -249.61834 -241.93710 7.68124 2.31929 -242.41608 592.56749
4100.0000 -249.29347 -241.78022 7.51325 2.32665 -242.25855 604.43463
4105.0000 -249.32944 -241.64804 7.68140 2.36236 -241.49437 623.60381
4110.0000 -249.02198 -241.27437 7.74761 2.37808 -241.15806 622.39610
4115.0000 -249.09063 -241.69288 7.39775 2.33738 -242.02886 582.84813
4120.0000 -249.71798 -242.42913 7.28885 2.36207 -241.50047 609.02947
4125.0000 -249.53235 -241.62847 7.90389 2.34296 -241.90960 592.98555
4130.0000 -248.72166 -239.53909 9.18257 2.41299 -240.41096 636.09780
4135.0000 -248.36785 -239.78247 8.58538 2.46259 -239.34936 656.05024
4140.0000 -249.50216 -240.59592 8.90623 2.41176 -240.43720 641.80357
4145.0000 -249.06055 -241.07250 7.98805 2.38780 -240.94990 618.79898
4150.0000 -247.77781 -239.55556 8.22225 2.39996 -240.68969 632.53315
4155.0000 -248.83627 -240.29484 8.54143 2.45428 -239.52727 701.38226
4160.0000 -249.33741 -241.47297 7.86443 2.38527 -241.00416 621.02046
4165.0000 -248.78667 -240.95773 7.82894 2.38666 -240.97433 637.97954
4170.0000 -248.72721 -241.13188 7.59534 2.37031 -241.32418 610.11835
4175.0000 -247.94233 -240.96523 6.97710 2.38723 -240.96208 609.37072
4180.0000 -247.07674 -239.45328 7.62345 2.38267 -241.05974 611.62921
4185.0000 -248.68615 -240.40404 8.28210 2.40868 -240.50310 624.14015
4190.0000 -249.45267 -241.03399 8.41868 2.42084 -240.24283 650.07515
4195.0000 -250.86090 -240.88942 9.97148 2.41887 -240.28503 652.98971
4200.0000 -248.51616 -241.19608 7.32008 2.38402 -241.03086 634.31278
4205.0000 -247.50038 -239.55323 7.94715 2.41732 -240.31821 652.77101
4210.0000 -248.47494 -240.71858 7.75636 2.42434 -240.16807 626.61518
4215.0000 -249.10504 -241.17118 7.93386 2.38983 -240.90655 609.40798
4220.0000 -248.59974 -241.31506 7.28467 2.41125 -240.44806 627.45465
4225.0000 -249.15856 -240.64253 8.51603 2.39882 -240.71404 622.16066
4230.0000 -248.67642 -241.22731 7.44911 2.42241 -240.20935 655.52681
4235.0000 -250.91574 -243.13757 7.77817 2.35411 -241.67096 617.24049
4240.0000 -250.64982 -242.68820 7.96161 2.29590 -242.91670 555.09658
4245.0000 -250.19039 -243.15085 7.03954 2.33566 -242.06578 594.77683
4250.0000 -249.71767 -241.50100 8.21667 2.32982 -242.19071 600.34244
FREEZING PROCESS: loop number 18 T-loop= 601.00000000000000
main_MD> interactions number 18 at Temperature= 601.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46484 -0.57891 -1.03234
force_rgl> df(natom) 0.23639 -0.85031 1.94999
4255.0000 -251.16398 -243.92045 7.24353 2.29066 -243.02885 578.55950
4260.0000 -249.27557 -241.18363 8.09194 2.31941 -242.41343 587.72281
4265.0000 -248.57591 -240.28224 8.29366 2.38936 -240.91647 616.71381
4270.0000 -248.03773 -240.14402 7.89371 2.46083 -239.38707 651.02926
4275.0000 -249.84966 -241.53776 8.31191 2.39983 -240.69243 616.91211
4280.0000 -248.45617 -241.09768 7.35849 2.35378 -241.67790 586.32718
4285.0000 -249.01311 -240.22579 8.78732 2.40249 -240.63567 627.17791
4290.0000 -249.59493 -241.84729 7.74764 2.37189 -241.29045 597.57912
4295.0000 -248.78665 -241.26587 7.52077 2.36126 -241.51798 603.49910
4300.0000 -248.37990 -240.65139 7.72851 2.38440 -241.02262 626.55826
4305.0000 -248.72122 -241.57554 7.14569 2.39535 -240.78827 642.36277
4310.0000 -249.22638 -241.59763 7.62876 2.34701 -241.82291 612.65351
4315.0000 -249.62587 -241.49548 8.13039 2.35955 -241.55458 619.15570
4320.0000 -249.34349 -241.76649 7.57700 2.37750 -241.17031 600.33902
4325.0000 -249.87581 -242.86326 7.01256 2.31213 -242.56925 567.94759
4330.0000 -249.27502 -240.81342 8.46160 2.34886 -241.78334 620.47408
4335.0000 -249.55286 -241.28908 8.26378 2.41587 -240.34923 640.93581
4340.0000 -249.59321 -241.52101 8.07220 2.36458 -241.44682 596.86580
4345.0000 -248.59267 -240.61820 7.97447 2.39052 -240.89179 601.36471
4350.0000 -248.79755 -241.23137 7.56618 2.38730 -240.96069 620.68009
4355.0000 -248.31753 -239.92767 8.38987 2.39439 -240.80896 626.05323
4360.0000 -248.92805 -241.41627 7.51178 2.42156 -240.22738 653.91618
4365.0000 -248.89807 -241.01923 7.87883 2.40740 -240.53058 640.81222
4370.0000 -249.47496 -241.18733 8.28762 2.38879 -240.92870 631.60468
4375.0000 -248.25529 -241.38466 6.87064 2.37061 -241.31776 610.25506
4380.0000 -250.07083 -241.90916 8.16167 2.34835 -241.79430 587.30933
4385.0000 -250.19938 -243.01808 7.18130 2.30952 -242.62515 580.83753
4390.0000 -250.87783 -243.67781 7.20002 2.30179 -242.79052 573.97582
4395.0000 -251.80582 -243.89372 7.91210 2.26456 -243.58735 571.13684
4400.0000 -251.23062 -244.43105 6.79957 2.25629 -243.76432 567.53667
4405.0000 -251.51149 -244.32230 7.18919 2.21839 -244.57544 528.01540
4410.0000 -250.57837 -242.64909 7.92928 2.27423 -243.38040 571.07214
4415.0000 -250.20522 -242.50055 7.70467 2.31314 -242.54774 586.55272
4420.0000 -249.60303 -242.25824 7.34479 2.30321 -242.76013 587.48043
4425.0000 -249.83677 -242.60085 7.23592 2.31344 -242.54131 595.05938
4430.0000 -249.10190 -242.06210 7.03981 2.31899 -242.42259 584.76539
4435.0000 -248.53561 -241.09863 7.43699 2.38704 -240.96624 633.08024
4440.0000 -249.59871 -243.00332 6.59539 2.33378 -242.10589 593.38078
4445.0000 -249.58455 -242.05986 7.52468 2.31981 -242.40504 591.15994
4450.0000 -249.95608 -242.91733 7.03875 2.28212 -243.21164 570.36855
4455.0000 -250.04158 -242.99868 7.04290 2.32042 -242.39181 591.01442
4460.0000 -250.74237 -242.22592 8.51645 2.29127 -243.01572 581.07032
4465.0000 -248.85146 -241.70738 7.14408 2.34250 -241.91946 606.35827
4470.0000 -251.11823 -242.60994 8.50829 2.32858 -242.21725 629.35784
4475.0000 -250.21988 -242.41193 7.80795 2.33989 -241.97520 640.88809
4480.0000 -250.29568 -242.93800 7.35768 2.30042 -242.81993 591.74670
4485.0000 -249.93889 -243.15083 6.78806 2.27962 -243.26510 571.96722
4490.0000 -249.59291 -242.58999 7.00292 2.29057 -243.03080 581.43231
4495.0000 -251.36027 -242.86319 8.49709 2.32602 -242.27203 607.76305
4500.0000 -251.15586 -244.82269 6.33317 2.27014 -243.46784 552.43859
FREEZING PROCESS: loop number 19 T-loop= 576.00000000000000
main_MD> interactions number 19 at Temperature= 576.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09298 -3.31451 4.55103
force_rgl> df(natom) 0.47441 0.94157 0.34308
4505.0000 -249.76273 -242.97608 6.78664 2.24536 -243.99819 540.82959
4510.0000 -250.39253 -243.95094 6.44158 2.27214 -243.42510 568.78535
4515.0000 -251.07740 -243.44458 7.63282 2.25215 -243.85283 550.46918
4520.0000 -250.34328 -243.33866 7.00462 2.26589 -243.55882 549.51448
4525.0000 -249.29969 -242.26654 7.03315 2.31783 -242.44744 578.11845
4530.0000 -249.55572 -243.09186 6.46386 2.30384 -242.74671 580.03984
4535.0000 -250.16431 -243.00876 7.15555 2.29283 -242.98243 590.03250
4540.0000 -249.23770 -242.49582 6.74189 2.31931 -242.41565 595.26153
4545.0000 -250.43130 -243.72939 6.70191 2.28879 -243.06880 563.89730
4550.0000 -250.96380 -243.30798 7.65582 2.25925 -243.70104 542.03033
4555.0000 -250.86510 -244.13318 6.73193 2.27800 -243.29963 558.42953
4560.0000 -250.61418 -243.26075 7.35343 2.27469 -243.37064 562.73663
4565.0000 -250.50823 -243.39619 7.11204 2.27047 -243.46076 557.37030
4570.0000 -251.82471 -243.51426 8.31045 2.28136 -243.22771 572.72840
4575.0000 -250.54901 -243.10929 7.43973 2.26259 -243.62944 561.11092
4580.0000 -250.88393 -243.73530 7.14863 2.26523 -243.57297 566.49476
4585.0000 -250.42761 -243.53973 6.88787 2.25219 -243.85197 563.17323
4590.0000 -250.07657 -242.13982 7.93674 2.28035 -243.24941 560.09071
4595.0000 -250.33960 -243.62682 6.71278 2.32186 -242.36104 592.13076
4600.0000 -251.50106 -243.80208 7.69898 2.25742 -243.74008 565.97242
4605.0000 -249.89730 -242.29216 7.60514 2.25619 -243.76646 556.48598
4610.0000 -249.63112 -241.40689 8.22422 2.35515 -241.64866 596.15713
4615.0000 -250.26414 -242.90125 7.36289 2.29704 -242.89226 594.10993
4620.0000 -249.59486 -242.46643 7.12843 2.29066 -243.02873 582.45221
4625.0000 -248.68062 -242.32444 6.35618 2.34971 -241.76517 597.53753
4630.0000 -249.99668 -242.86712 7.12956 2.30622 -242.69576 571.56507
4635.0000 -250.47984 -242.43332 8.04652 2.32399 -242.31541 594.93321
4640.0000 -251.15134 -244.21656 6.93478 2.29880 -242.85455 579.87361
4645.0000 -250.97713 -243.11733 7.85980 2.30091 -242.80941 572.52141
4650.0000 -250.99094 -243.47125 7.51969 2.26950 -243.48161 578.16543
4655.0000 -252.29294 -245.25071 7.04223 2.19686 -245.03612 541.81362
4660.0000 -252.28997 -244.34888 7.94109 2.18650 -245.25795 550.61290
4665.0000 -251.75032 -243.99752 7.75281 2.21991 -244.54279 584.28278
4670.0000 -250.95283 -243.58796 7.36487 2.27704 -243.32029 620.88607
4675.0000 -252.99717 -244.68924 8.30793 2.24496 -244.00680 604.00298
4680.0000 -251.73868 -244.37854 7.36014 2.20832 -244.79080 579.75783
4685.0000 -253.01102 -245.62316 7.38786 2.20080 -244.95183 580.46602
4690.0000 -252.63967 -244.23030 8.40937 2.21547 -244.63787 588.66083
4695.0000 -251.28809 -242.86958 8.41850 2.28045 -243.24738 620.66987
4700.0000 -249.96998 -243.27765 6.69233 2.28532 -243.14317 592.44073
4705.0000 -251.12113 -243.87465 7.24648 2.25270 -243.84122 535.56834
4710.0000 -249.05576 -241.03116 8.02460 2.31524 -242.50282 583.35253
4715.0000 -250.80383 -243.45605 7.34778 2.30586 -242.70343 590.84864
4720.0000 -250.94971 -243.24956 7.70015 2.29545 -242.92637 607.32565
4725.0000 -249.87977 -241.51047 8.36930 2.31653 -242.47513 603.14255
4730.0000 -249.91366 -241.72720 8.18647 2.35954 -241.55479 612.70792
4735.0000 -250.21389 -241.97328 8.24061 2.35104 -241.73672 597.98371
4740.0000 -250.77468 -243.33500 7.43969 2.31554 -242.49627 593.73390
4745.0000 -250.45492 -243.66286 6.79207 2.25437 -243.80546 544.29672
4750.0000 -251.31622 -243.43706 7.87916 2.29252 -242.98891 574.12615
FREEZING PROCESS: loop number 20 T-loop= 551.00000000000000
main_MD> interactions number 20 at Temperature= 551.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.87930 -0.12700 0.28741
force_rgl> df(natom) -0.00839 1.20385 -0.00919
4755.0000 -250.24572 -242.69118 7.55455 2.29435 -242.94983 585.58410
4760.0000 -250.23509 -243.20520 7.02988 2.31179 -242.57665 597.93446
4765.0000 -251.48036 -243.10297 8.37738 2.30357 -242.75256 579.64528
4770.0000 -251.70781 -244.23381 7.47400 2.27491 -243.36581 576.65837
4775.0000 -252.54119 -245.73140 6.80979 2.20427 -244.87756 548.74477
4780.0000 -251.31627 -244.69794 6.61833 2.18381 -245.31551 540.73331
4785.0000 -252.01684 -245.16382 6.85301 2.20689 -244.82140 564.32900
4790.0000 -251.33203 -244.69064 6.64138 2.17807 -245.43821 541.64103
4795.0000 -252.31849 -245.71401 6.60448 2.17165 -245.57572 538.24244
4800.0000 -254.00467 -247.18136 6.82331 2.13329 -246.39650 506.82439
4805.0000 -253.70502 -246.97496 6.73005 2.11847 -246.71372 505.61887
4810.0000 -252.41154 -245.20057 7.21098 2.15225 -245.99086 550.08201
4815.0000 -251.48232 -244.88237 6.59995 2.22508 -244.43218 608.36753
4820.0000 -252.51631 -245.52161 6.99470 2.19898 -244.99068 572.51472
4825.0000 -251.84076 -243.53972 8.30104 2.20172 -244.93207 584.63610
4830.0000 -252.66516 -244.83280 7.83236 2.21407 -244.66784 578.29921
4835.0000 -253.19687 -247.00094 6.19593 2.12589 -246.55494 526.27744
4840.0000 -253.19304 -245.90138 7.29166 2.14783 -246.08544 539.21458
4845.0000 -252.33294 -244.29185 8.04109 2.21112 -244.73100 558.65443
4850.0000 -253.11838 -246.43517 6.68321 2.18140 -245.36705 558.97280
4855.0000 -252.38972 -245.33418 7.05554 2.13023 -246.46202 533.72560
4860.0000 -253.05621 -245.68118 7.37503 2.21784 -244.58720 589.44332
4865.0000 -252.62491 -246.02635 6.59856 2.19152 -245.15038 570.50449
4870.0000 -254.14767 -247.13435 7.01332 2.10081 -247.09160 514.28888
4875.0000 -252.85515 -246.21549 6.63966 2.13000 -246.46699 521.53723
4880.0000 -252.69725 -245.21038 7.48687 2.15229 -245.98994 544.07669
4885.0000 -253.05701 -245.25795 7.79906 2.16832 -245.64687 555.86333
4890.0000 -252.40139 -244.25907 8.14232 2.21673 -244.61100 593.42198
4895.0000 -253.06220 -245.60968 7.45253 2.17404 -245.52459 557.30228
4900.0000 -253.38035 -246.58299 6.79737 2.16310 -245.75862 532.99921
4905.0000 -254.08490 -246.18056 7.90434 2.09614 -247.19166 506.69184
4910.0000 -253.34174 -246.01034 7.33140 2.14310 -246.18664 543.77790
4915.0000 -254.15320 -246.84179 7.31141 2.16543 -245.70871 565.88149
4920.0000 -252.47381 -245.97790 6.49590 2.12160 -246.64677 536.05365
4925.0000 -252.61876 -246.16506 6.45370 2.13122 -246.44079 546.36571
4930.0000 -254.12587 -246.88853 7.23734 2.14588 -246.12724 552.35822
4935.0000 -252.57614 -245.70438 6.87177 2.13781 -246.29979 537.32991
4940.0000 -252.16494 -244.71273 7.45220 2.16485 -245.72123 566.54183
4945.0000 -253.30273 -246.14931 7.15342 2.17482 -245.50792 562.53427
4950.0000 -252.86788 -245.38005 7.48783 2.17997 -245.39755 571.23967
4955.0000 -253.29241 -246.04318 7.24923 2.23068 -244.31238 602.27833
4960.0000 -253.13287 -246.85200 6.28087 2.11275 -246.83615 505.76966
4965.0000 -252.25555 -246.08189 6.17366 2.14889 -246.06277 538.36571
4970.0000 -252.36174 -245.53387 6.82786 2.15618 -245.90676 524.48629
4975.0000 -252.38343 -246.47246 5.91097 2.13464 -246.36760 519.72392
4980.0000 -253.82407 -246.05620 7.76787 2.14193 -246.21162 530.10377
4985.0000 -253.30068 -246.61966 6.68102 2.15491 -245.93388 557.26987
4990.0000 -253.43738 -245.63875 7.79863 2.14024 -246.24792 539.69536
4995.0000 -252.66087 -245.56836 7.09251 2.15292 -245.97657 543.41204
5000.0000 -253.30956 -244.99417 8.31539 2.19590 -245.05675 574.10058
FREEZING PROCESS: loop number 21 T-loop= 526.00000000000000
main_MD> interactions number 21 at Temperature= 526.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12039 0.87225 0.65156
force_rgl> df(natom) 2.73001 1.41261 -2.85601
5005.0000 -252.47893 -246.03422 6.44472 2.19853 -245.00051 569.63917
5010.0000 -253.66299 -246.76746 6.89553 2.13065 -246.45317 539.31622
5015.0000 -252.93913 -246.06628 6.87285 2.14270 -246.19513 544.42588
5020.0000 -252.73614 -246.31670 6.41945 2.14331 -246.18220 541.50772
5025.0000 -254.36749 -247.05514 7.31235 2.11762 -246.73199 527.87607
5030.0000 -253.82347 -246.12554 7.69793 2.15149 -246.00711 550.13666
5035.0000 -253.79147 -246.66931 7.12216 2.12125 -246.65425 527.24535
5040.0000 -252.39546 -245.72568 6.66979 2.11980 -246.68526 523.89259
5045.0000 -253.92394 -246.85028 7.07366 2.15214 -245.99324 531.56909
5050.0000 -253.20455 -245.57230 7.63225 2.12698 -246.53151 523.88897
5055.0000 -253.02022 -246.49798 6.52223 2.17535 -245.49646 563.03487
5060.0000 -253.29777 -246.54999 6.74778 2.11663 -246.75319 518.76737
5065.0000 -252.98487 -245.85084 7.13404 2.16179 -245.78665 557.84343
5070.0000 -253.22491 -246.95514 6.26977 2.13965 -246.26037 528.53051
5075.0000 -254.03678 -247.94076 6.09602 2.11912 -246.69983 513.00422
5080.0000 -254.42294 -247.05744 7.36550 2.09038 -247.31493 501.35946
5085.0000 -252.32013 -245.65490 6.66524 2.14778 -246.08646 534.46528
5090.0000 -254.03353 -247.39794 6.63559 2.12884 -246.49179 535.08339
5095.0000 -253.95562 -247.45327 6.50235 2.06962 -247.75916 493.50635
5100.0000 -253.74296 -247.30906 6.43390 2.06355 -247.88896 491.24783
5105.0000 -253.49285 -247.08082 6.41203 2.08741 -247.37835 506.20239
5110.0000 -254.13327 -247.02811 7.10516 2.10586 -246.98360 520.02350
5115.0000 -252.89981 -246.48083 6.41898 2.11071 -246.87978 521.08304
5120.0000 -253.23200 -245.67395 7.55805 2.16157 -245.79134 558.97939
5125.0000 -252.40397 -245.85436 6.54961 2.14267 -246.19577 535.27211
5130.0000 -253.18738 -246.14166 7.04572 2.14787 -246.08462 531.92757
5135.0000 -253.58905 -246.22115 7.36790 2.13118 -246.44163 538.96042
5140.0000 -252.33654 -244.80065 7.53588 2.15972 -245.83106 552.23615
5145.0000 -253.02236 -245.28088 7.74147 2.19819 -245.00767 565.97016
5150.0000 -252.55224 -245.90389 6.64835 2.16766 -245.66094 533.83450
5155.0000 -252.84619 -246.79421 6.05198 2.12361 -246.60376 506.20813
5160.0000 -253.89887 -246.67492 7.22395 2.11335 -246.82339 518.67642
5165.0000 -252.55335 -246.03481 6.51854 2.13497 -246.36071 541.22117
5170.0000 -253.13159 -247.08532 6.04627 2.14465 -246.15337 540.72401
5175.0000 -252.08344 -244.96024 7.12320 2.13227 -246.41842 531.99658
5180.0000 -252.16689 -245.12440 7.04248 2.16876 -245.63760 556.00541
5185.0000 -252.59847 -246.12032 6.47815 2.17710 -245.45904 559.38272
5190.0000 -252.45721 -245.47115 6.98605 2.18460 -245.29844 571.56361
5195.0000 -252.12983 -245.89536 6.23447 2.16348 -245.75039 552.88536
5200.0000 -253.45646 -246.93487 6.52159 2.12568 -246.55941 532.56177
5205.0000 -254.14342 -247.90263 6.24079 2.06536 -247.85036 493.22103
5210.0000 -253.63837 -246.32402 7.31434 2.08305 -247.47174 502.18009
5215.0000 -252.48971 -246.44973 6.03998 2.13752 -246.30612 545.43457
5220.0000 -252.69554 -246.39385 6.30169 2.11650 -246.75585 508.75098
5225.0000 -253.11338 -246.49511 6.61827 2.12125 -246.65413 510.32107
5230.0000 -253.03881 -246.51236 6.52644 2.12562 -246.56063 523.13555
5235.0000 -252.09704 -244.29089 7.80615 2.16153 -245.79218 547.58384
5240.0000 -253.06490 -245.66572 7.39918 2.20730 -244.81276 568.88045
5245.0000 -253.03158 -245.64894 7.38264 2.15673 -245.89485 539.92050
5250.0000 -253.31434 -246.30025 7.01410 2.11083 -246.87720 518.17219
FREEZING PROCESS: loop number 22 T-loop= 501.00000000000000
main_MD> interactions number 22 at Temperature= 501.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77953 1.55107 0.59044
force_rgl> df(natom) -1.17348 1.76285 -1.49225
5255.0000 -253.14023 -246.14446 6.99578 2.15098 -246.01809 556.39505
5260.0000 -254.41748 -247.55609 6.86139 2.10777 -246.94277 519.05490
5265.0000 -253.61403 -247.27083 6.34320 2.06014 -247.96197 464.57702
5270.0000 -254.01188 -246.16791 7.84397 2.13398 -246.38190 536.35266
5275.0000 -254.20719 -247.04064 7.16655 2.09636 -247.18680 516.65100
5280.0000 -254.24540 -247.99751 6.24789 2.09182 -247.28408 513.99682
5285.0000 -253.03737 -246.07734 6.96003 2.08830 -247.35931 505.34272
5290.0000 -254.03031 -248.27937 5.75094 2.09865 -247.13797 514.45139
5295.0000 -252.78878 -246.46362 6.32516 2.09103 -247.30102 508.64004
5300.0000 -254.27754 -246.86274 7.41480 2.14009 -246.25099 542.76314
5305.0000 -253.11687 -246.28843 6.82844 2.11716 -246.74167 513.43733
5310.0000 -252.75863 -245.80696 6.95167 2.14873 -246.06618 532.77061
5315.0000 -253.60803 -247.36524 6.24279 2.10915 -246.91318 500.32553
5320.0000 -253.54835 -246.93260 6.61575 2.10445 -247.01373 505.28283
5325.0000 -252.61567 -245.84352 6.77216 2.14067 -246.23872 538.56493
5330.0000 -254.05734 -246.84626 7.21108 2.12187 -246.64100 520.81183
5335.0000 -253.85813 -247.52429 6.33384 2.07905 -247.55743 502.52317
5340.0000 -252.63622 -246.45744 6.17878 2.08865 -247.35196 499.68704
5345.0000 -253.34999 -247.05157 6.29842 2.12097 -246.66014 522.14448
5350.0000 -253.67224 -246.15622 7.51602 2.12041 -246.67219 530.69225
5355.0000 -254.51420 -247.76119 6.75301 2.12259 -246.62558 536.81649
5360.0000 -254.62229 -248.39657 6.22572 2.05682 -248.03299 486.08579
5365.0000 -254.32294 -248.36989 5.95305 2.07064 -247.73742 491.85451
5370.0000 -255.65262 -249.47054 6.18208 2.02035 -248.81359 456.08232
5375.0000 -253.85070 -246.86920 6.98150 2.04760 -248.23044 474.48108
5380.0000 -254.58941 -248.08654 6.50287 2.07984 -247.54045 485.60389
5385.0000 -254.46670 -248.45738 6.00932 2.03939 -248.40605 468.93981
5390.0000 -253.99541 -247.39012 6.60529 2.08577 -247.41345 507.40512
5395.0000 -253.07117 -246.73043 6.34073 2.07539 -247.63572 495.16905
5400.0000 -253.52224 -247.87850 5.64374 2.09804 -247.15097 511.15418
5405.0000 -253.24702 -247.12396 6.12306 2.07989 -247.53939 484.93145
5410.0000 -253.38261 -247.00902 6.37359 2.10218 -247.06231 498.69479
5415.0000 -253.51419 -247.52833 5.98586 2.08532 -247.42314 494.94878
5420.0000 -254.67064 -248.78408 5.88656 2.04832 -248.21507 475.16494
5425.0000 -253.74297 -247.04921 6.69376 2.06504 -247.85724 490.49086
5430.0000 -253.90868 -247.08704 6.82164 2.12147 -246.64944 534.29400
5435.0000 -254.23891 -247.36024 6.87866 2.07734 -247.59389 500.93720
5440.0000 -254.24030 -248.05927 6.18104 2.07061 -247.73797 491.34514
5445.0000 -254.05232 -247.28956 6.76276 2.06261 -247.90924 491.95722
5450.0000 -253.44384 -247.00172 6.44212 2.11093 -246.87517 522.80090
5455.0000 -252.57671 -245.96252 6.61419 2.11989 -246.68342 506.65209
5460.0000 -252.11136 -245.72773 6.38362 2.15917 -245.84276 542.53188
5465.0000 -252.55029 -245.97839 6.57190 2.15737 -245.88123 544.46559
5470.0000 -253.44479 -247.14379 6.30101 2.14298 -246.18926 519.27221
5475.0000 -253.38486 -246.16264 7.22222 2.12027 -246.67512 497.86563
5480.0000 -252.34042 -246.42774 5.91268 2.11286 -246.83375 483.89907
5485.0000 -252.01752 -245.24138 6.77614 2.15489 -245.93423 513.26892
5490.0000 -252.70095 -245.82258 6.87837 2.19061 -245.16995 533.70421
5495.0000 -252.05821 -245.00451 7.05369 2.18944 -245.19485 530.02372
5500.0000 -251.88977 -245.76335 6.12642 2.16783 -245.65747 525.56041
FREEZING PROCESS: loop number 23 T-loop= 476.00000000000000
main_MD> interactions number 23 at Temperature= 476.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19701 0.33100 -1.11749
force_rgl> df(natom) -0.32838 1.81909 -1.46866
5505.0000 -253.22022 -246.56827 6.65196 2.14675 -246.10858 504.53085
5510.0000 -253.18444 -246.95169 6.23275 2.09956 -247.11844 470.01698
5515.0000 -253.73059 -247.09299 6.63760 2.14495 -246.14712 499.74705
5520.0000 -253.35677 -246.71078 6.64598 2.13599 -246.33873 501.86978
5525.0000 -253.60175 -247.89435 5.70740 2.09203 -247.27955 481.25768
5530.0000 -253.86148 -247.82071 6.04077 2.05237 -248.12836 458.59827
5535.0000 -253.44510 -247.09513 6.34997 2.05535 -248.06463 462.65724
5540.0000 -253.60800 -247.96961 5.63839 2.07193 -247.70973 464.46074
5545.0000 -253.87553 -246.95373 6.92180 2.07780 -247.58413 471.12098
5550.0000 -253.85050 -247.98926 5.86123 2.07786 -247.58286 471.77366
5555.0000 -253.71334 -246.94014 6.77320 2.07971 -247.54328 476.95825
5560.0000 -254.04874 -248.06014 5.98860 2.09754 -247.16175 490.34362
5565.0000 -253.85921 -247.42964 6.42956 2.09163 -247.28814 480.77966
5570.0000 -253.88644 -247.14331 6.74313 2.09136 -247.29394 495.56366
5575.0000 -253.52279 -248.61022 4.91257 2.06629 -247.83050 474.12757
5580.0000 -254.08696 -248.32829 5.75867 2.06271 -247.90708 468.26271
5585.0000 -254.18130 -247.40889 6.77242 2.06277 -247.90579 476.42265
5590.0000 -253.79559 -247.91439 5.88120 2.07895 -247.55951 479.06820
5595.0000 -253.28477 -245.58752 7.69725 2.10450 -247.01278 503.48935
5600.0000 -252.82828 -247.33051 5.49777 2.16414 -245.73636 546.15820
5605.0000 -253.79663 -247.42505 6.37158 2.09277 -247.26380 491.96743
5610.0000 -253.59826 -247.45457 6.14369 2.08148 -247.50529 480.70953
5615.0000 -254.17884 -248.61393 5.56490 2.09265 -247.26624 485.81390
5620.0000 -254.37511 -248.62532 5.74979 2.02056 -248.80895 437.52245
5625.0000 -253.37021 -246.83082 6.53939 2.08251 -247.48320 482.57171
5630.0000 -253.08796 -248.08064 5.00732 2.06576 -247.84173 468.26030
5635.0000 -253.68293 -247.56874 6.11419 2.07291 -247.68870 475.60722
5640.0000 -253.30526 -247.58691 5.71835 2.07236 -247.70049 471.17504
5645.0000 -252.69883 -247.06815 5.63068 2.08400 -247.45130 469.58485
5650.0000 -253.41562 -247.61411 5.80151 2.09877 -247.13524 474.14744
5655.0000 -252.13562 -245.43119 6.70442 2.09402 -247.23700 472.57186
5660.0000 -252.03524 -244.29980 7.73544 2.21699 -244.60539 560.58637
5665.0000 -252.67396 -246.08848 6.58549 2.19449 -245.08692 518.95239
5670.0000 -252.35054 -245.95988 6.39066 2.15034 -246.03163 485.63374
5675.0000 -252.16421 -246.01813 6.14609 2.15163 -246.00406 499.05640
5680.0000 -252.81897 -246.84115 5.97782 2.08508 -247.42829 450.49816
5685.0000 -253.37482 -247.39327 5.98155 2.10554 -246.99040 470.24077
5690.0000 -253.42481 -248.50520 4.91961 2.06139 -247.93532 445.49355
5695.0000 -253.80141 -247.22754 6.57387 2.03272 -248.54880 420.19188
5700.0000 -253.69932 -248.09877 5.60055 2.09787 -247.15448 457.43482
5705.0000 -252.65341 -246.51244 6.14097 2.09236 -247.27252 447.99027
5710.0000 -252.67934 -246.03195 6.64739 2.13494 -246.36127 489.51995
5715.0000 -253.22669 -246.69583 6.53086 2.15262 -245.98288 512.48340
5720.0000 -254.10599 -247.78783 6.31816 2.09582 -247.19848 489.42080
5725.0000 -254.47926 -248.64311 5.83615 2.06108 -247.94181 461.83744
5730.0000 -254.07241 -248.26967 5.80274 2.04190 -248.35236 451.37263
5735.0000 -253.47464 -247.26427 6.21037 2.04110 -248.36948 449.40841
5740.0000 -253.36491 -246.79457 6.57034 2.09922 -247.12573 493.66997
5745.0000 -253.70026 -247.36586 6.33441 2.11341 -246.82209 504.04437
5750.0000 -252.91258 -246.46755 6.44502 2.12169 -246.64483 504.23972
FREEZING PROCESS: loop number 24 T-loop= 451.00000000000000
main_MD> interactions number 24 at Temperature= 451.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36200 1.12173 -2.00474
force_rgl> df(natom) 1.46171 0.00058 -1.94410
5755.0000 -253.11629 -247.36253 5.75377 2.11224 -246.84708 499.62221
5760.0000 -253.54742 -246.79154 6.75589 2.08543 -247.42072 480.49251
5765.0000 -253.33032 -248.00899 5.32133 2.09882 -247.13425 487.11552
5770.0000 -254.19550 -248.13328 6.06222 2.07061 -247.73794 463.90422
5775.0000 -253.68005 -248.26120 5.41884 2.02843 -248.64063 434.19056
5780.0000 -254.00879 -248.72858 5.28021 2.05361 -248.10168 456.32443
5785.0000 -253.77424 -247.93559 5.83865 2.05765 -248.01534 450.85374
5790.0000 -254.26474 -248.63269 5.63205 2.03843 -248.42666 448.75277
5795.0000 -254.75750 -248.89263 5.86486 2.02980 -248.61124 447.28281
5800.0000 -254.43478 -248.68605 5.74873 2.02282 -248.76068 435.77793
5805.0000 -255.13685 -249.76647 5.37038 2.00335 -249.17730 419.26108
5810.0000 -254.09952 -248.98056 5.11896 1.97593 -249.76420 400.52474
5815.0000 -253.84096 -248.55545 5.28551 2.03048 -248.59668 439.97460
5820.0000 -254.43817 -249.35476 5.08341 2.02804 -248.64898 435.73359
5825.0000 -254.17701 -247.99489 6.18211 2.02052 -248.80986 440.30933
5830.0000 -253.70103 -247.52848 6.17254 2.07215 -247.70510 475.30589
5835.0000 -253.73212 -247.45637 6.27575 2.07651 -247.61168 483.54482
5840.0000 -254.40607 -248.02868 6.37739 2.10805 -246.93680 505.71308
5845.0000 -255.61301 -248.51723 7.09578 2.04686 -248.24611 479.12491
5850.0000 -254.69966 -249.48857 5.21109 1.98815 -249.50267 429.70437
5855.0000 -254.46043 -248.79166 5.66877 1.99755 -249.30152 439.05263
5860.0000 -254.37201 -248.45670 5.91531 2.04672 -248.24918 467.78087
5865.0000 -254.68432 -249.03440 5.64993 2.05001 -248.17880 475.52590
5870.0000 -255.12202 -249.59127 5.53074 1.99564 -249.34242 421.55618
5875.0000 -254.14324 -248.27158 5.87166 2.01567 -248.91374 444.08173
5880.0000 -254.36763 -247.93974 6.42789 2.04212 -248.34771 460.65946
5885.0000 -254.27863 -248.00637 6.27227 2.06938 -247.76431 488.90297
5890.0000 -255.21220 -249.12354 6.08867 2.03496 -248.50079 467.34862
5895.0000 -255.01888 -249.41952 5.59937 2.00507 -249.14055 449.77486
5900.0000 -254.90950 -249.66765 5.24185 2.00994 -249.03626 445.22922
5905.0000 -255.19309 -249.49103 5.70206 1.99649 -249.32417 440.26395
5910.0000 -254.94961 -249.21476 5.73485 2.00074 -249.23328 446.96551
5915.0000 -254.94900 -249.07420 5.87480 1.98508 -249.56835 432.07843
5920.0000 -254.44438 -248.52533 5.91905 2.00740 -249.09074 449.44793
5925.0000 -254.58435 -249.38643 5.19792 1.99932 -249.26359 444.23171
5930.0000 -254.76249 -249.01517 5.74732 2.00331 -249.17820 444.21376
5935.0000 -254.82848 -249.00115 5.82733 2.00729 -249.09311 443.92897
5940.0000 -255.48310 -249.46798 6.01511 1.99457 -249.36522 430.22802
5945.0000 -255.08882 -250.01524 5.07357 1.98526 -249.56448 433.12992
5950.0000 -255.02106 -249.20557 5.81549 1.97558 -249.77162 424.72810
5955.0000 -253.42551 -247.59086 5.83465 2.04981 -248.18309 485.06318
5960.0000 -254.62216 -249.47522 5.14694 2.03788 -248.43843 477.14998
5965.0000 -254.51368 -249.10039 5.41329 2.00035 -249.24159 445.94635
5970.0000 -254.00926 -247.41542 6.59384 2.05484 -248.07540 479.26138
5975.0000 -254.47536 -248.56964 5.90571 2.04985 -248.18231 485.95956
5980.0000 -254.42867 -248.23622 6.19245 2.03402 -248.52097 471.02999
5985.0000 -255.80416 -250.62901 5.17516 1.99494 -249.35730 440.55427
5990.0000 -254.94411 -249.13980 5.80431 2.00277 -249.18970 444.40897
5995.0000 -256.06942 -250.52813 5.54129 1.95818 -250.14399 416.34877
6000.0000 -255.12470 -249.67184 5.45286 1.95970 -250.11150 417.08674
FREEZING PROCESS: loop number 25 T-loop= 426.00000000000000
main_MD> interactions number 25 at Temperature= 426.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27841 1.67464 -0.73706
force_rgl> df(natom) -0.49555 -1.41949 3.42279
6005.0000 -254.92207 -250.21404 4.70803 1.98535 -249.56255 437.59141
6010.0000 -255.57593 -249.92459 5.65134 1.96864 -249.92008 429.06721
6015.0000 -255.62935 -250.83599 4.79336 1.96348 -250.03059 422.37701
6020.0000 -254.67150 -249.43477 5.23673 1.98814 -249.50281 433.50927
6025.0000 -256.04319 -250.69768 5.34551 1.94427 -250.44176 401.73907
6030.0000 -255.19307 -250.07471 5.11836 1.95447 -250.22333 411.32490
6035.0000 -256.05147 -250.88926 5.16221 1.94775 -250.36725 405.94992
6040.0000 -256.02836 -250.54333 5.48504 1.94302 -250.46841 398.29713
6045.0000 -255.44677 -249.91660 5.53016 1.94999 -250.31924 398.78886
6050.0000 -255.60075 -250.19344 5.40731 1.95732 -250.16248 409.49551
6055.0000 -255.02873 -250.00595 5.02278 1.98483 -249.57366 428.49709
6060.0000 -255.98460 -250.90311 5.08150 1.94150 -250.50102 394.61928
6065.0000 -254.63289 -248.65366 5.97923 1.96483 -250.00180 420.26545
6070.0000 -255.45534 -250.16742 5.28792 1.98794 -249.50718 434.77893
6075.0000 -255.09741 -249.43295 5.66446 1.97427 -249.79972 426.88808
6080.0000 -254.61734 -249.19784 5.41950 1.99553 -249.34466 437.68677
6085.0000 -255.11453 -249.29708 5.81745 1.99683 -249.31692 446.40429
6090.0000 -254.63009 -249.78002 4.85007 1.97465 -249.79154 421.08622
6095.0000 -255.61802 -250.79493 4.82309 1.95544 -250.20263 408.84077
6100.0000 -255.37852 -249.75468 5.62384 1.95599 -250.19089 414.83361
6105.0000 -256.27508 -250.31175 5.96333 1.97041 -249.88236 424.53217
6110.0000 -255.54586 -249.92317 5.62270 1.93875 -250.55991 403.86463
6115.0000 -254.34126 -247.94436 6.39690 2.00566 -249.12794 452.61391
6120.0000 -254.91353 -249.75609 5.15744 2.00560 -249.12927 452.82833
6125.0000 -255.06421 -248.83554 6.22867 1.99199 -249.42036 435.81326
6130.0000 -256.00052 -250.69016 5.31035 1.98614 -249.54557 445.43829
6135.0000 -255.51739 -250.25029 5.26711 1.94489 -250.42835 408.65091
6140.0000 -255.79417 -250.19228 5.60189 1.96452 -250.00839 425.20899
6145.0000 -254.29032 -249.24069 5.04963 1.98849 -249.49534 442.09226
6150.0000 -254.79071 -248.53681 6.25390 2.03577 -248.48351 481.68759
6155.0000 -254.83150 -249.38683 5.44467 1.99682 -249.31717 446.34170
6160.0000 -253.87196 -249.03312 4.83884 2.00791 -249.07969 441.68092
6165.0000 -255.07252 -249.48696 5.58556 1.99983 -249.25266 428.00630
6170.0000 -255.55225 -249.25577 6.29648 2.00821 -249.07329 440.09621
6175.0000 -254.75547 -249.42273 5.33274 1.98283 -249.61658 420.45147
6180.0000 -254.67158 -249.48802 5.18356 1.99278 -249.40364 426.28220
6185.0000 -254.33843 -248.86825 5.47018 2.01102 -249.01322 441.48157
6190.0000 -255.04560 -249.25201 5.79359 2.01041 -249.02622 448.15724
6195.0000 -255.47151 -249.80332 5.66819 1.98934 -249.47725 435.50018
6200.0000 -255.12978 -249.49683 5.63295 1.97506 -249.78268 418.66572
6205.0000 -254.55870 -248.59000 5.96870 1.99887 -249.27325 444.30427
6210.0000 -255.95190 -250.29110 5.66081 1.98579 -249.55317 432.25105
6215.0000 -254.59025 -248.59455 5.99570 2.01018 -249.03116 449.54546
6220.0000 -254.95144 -249.11126 5.84019 2.02752 -248.66008 467.22540
6225.0000 -254.52851 -249.64841 4.88011 2.01283 -248.97458 446.58836
6230.0000 -255.88086 -250.63068 5.25018 1.96835 -249.92630 422.54311
6235.0000 -255.63831 -250.84859 4.78972 1.94252 -250.47911 411.24515
6240.0000 -255.76953 -249.98278 5.78675 1.94775 -250.36720 412.91179
6245.0000 -255.99782 -251.35575 4.64207 1.91868 -250.98926 395.59795
6250.0000 -256.19170 -251.00069 5.19101 1.94092 -250.51340 405.34037
FREEZING PROCESS: loop number 26 T-loop= 401.00000000000000
main_MD> interactions number 26 at Temperature= 401.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28534 -0.36946 0.22809
force_rgl> df(natom) 2.03310 0.64413 0.92796
6255.0000 -255.45852 -250.64088 4.81764 1.91903 -250.98178 394.06752
6260.0000 -255.73240 -250.47239 5.26001 1.95041 -250.31036 414.66667
6265.0000 -255.98508 -250.75600 5.22908 1.94168 -250.49703 408.32833
6270.0000 -255.08036 -250.11094 4.96942 1.93721 -250.59289 405.90909
6275.0000 -255.45788 -249.80083 5.65705 1.98977 -249.46802 449.33253
6280.0000 -255.13517 -250.12696 5.00821 1.95954 -250.11489 424.28441
6285.0000 -255.97557 -251.72297 4.25260 1.91090 -251.15592 381.58855
6290.0000 -255.59821 -250.17777 5.42045 1.92958 -250.75600 398.20908
6295.0000 -255.41295 -250.19795 5.21501 1.93686 -250.60032 404.27974
6300.0000 -255.65864 -251.10325 4.55539 1.92176 -250.92338 390.82003
6305.0000 -255.52348 -250.02399 5.49949 1.93720 -250.59292 403.96121
6310.0000 -255.21845 -250.27808 4.94038 1.94773 -250.36771 411.72345
6315.0000 -255.26936 -249.83427 5.43510 1.95840 -250.13933 420.04048
6320.0000 -256.37403 -251.51408 4.85995 1.90617 -251.25703 378.26456
6325.0000 -256.52767 -251.54325 4.98442 1.90952 -251.18535 386.78369
6330.0000 -255.20197 -250.04266 5.15932 1.92469 -250.86068 396.60113
6335.0000 -256.07033 -251.02294 5.04739 1.95135 -250.29027 410.64864
6340.0000 -256.93371 -251.90137 5.03234 1.89858 -251.41958 376.49989
6345.0000 -256.52035 -250.63172 5.88864 1.91200 -251.13228 387.15527
6350.0000 -256.12044 -250.17673 5.94372 1.92598 -250.83316 400.50002
6355.0000 -256.47334 -251.07999 5.39335 1.94649 -250.39414 412.38378
6360.0000 -255.28586 -250.06321 5.22265 1.94800 -250.36187 410.53796
6365.0000 -255.13291 -249.39837 5.73455 1.97634 -249.75540 432.77625
6370.0000 -255.16379 -250.60997 4.55383 1.96015 -250.10191 422.34846
6375.0000 -255.12352 -250.04448 5.07904 1.96153 -250.07230 422.19053
6380.0000 -255.93262 -249.78192 6.15070 1.97070 -249.87609 430.99541
6385.0000 -255.92629 -250.77879 5.14750 1.94267 -250.47587 410.19763
6390.0000 -255.57732 -250.22964 5.34767 1.93639 -250.61043 404.30598
6395.0000 -256.22276 -250.14736 6.07540 1.96650 -249.96597 434.82319
6400.0000 -256.24290 -250.98854 5.25436 1.92386 -250.87845 396.38283
6405.0000 -255.15400 -249.89196 5.26204 1.96597 -249.97723 427.51510
6410.0000 -256.18693 -250.05925 6.12768 1.97133 -249.86256 428.60254
6415.0000 -255.17284 -249.84623 5.32661 1.94906 -250.33929 415.37898
6420.0000 -255.76998 -250.69695 5.07303 1.96828 -249.92779 425.73459
6425.0000 -256.90548 -251.50502 5.40046 1.91736 -251.01760 394.47776
6430.0000 -256.18835 -251.65377 4.53458 1.89517 -251.49251 375.29852
6435.0000 -255.81187 -251.66673 4.14514 1.88628 -251.68270 370.73187
6440.0000 -256.28943 -251.22961 5.05982 1.89197 -251.56092 378.18611
6445.0000 -255.13693 -249.64061 5.49632 1.91275 -251.11614 385.21920
6450.0000 -256.37447 -251.19299 5.18148 1.93543 -250.63082 402.94729
6455.0000 -256.59350 -251.72597 4.86753 1.89953 -251.39907 376.88259
6460.0000 -255.80372 -250.35453 5.44919 1.90083 -251.37139 378.05494
6465.0000 -256.34985 -250.61926 5.73059 1.95413 -250.23071 416.58320
6470.0000 -255.12083 -250.22429 4.89654 1.94470 -250.43255 407.42976
6475.0000 -255.25397 -250.13495 5.11902 1.96252 -250.05117 426.68021
6480.0000 -255.46660 -249.86592 5.60068 1.95459 -250.22086 417.26138
6485.0000 -254.41499 -249.64133 4.77366 1.97282 -249.83072 426.04079
6490.0000 -254.90763 -249.48712 5.42051 1.96461 -250.00631 422.59170
6495.0000 -256.19182 -251.19280 4.99902 1.95673 -250.17508 415.20749
6500.0000 -255.95689 -250.89633 5.06056 1.91084 -251.15713 384.07896
FREEZING PROCESS: loop number 27 T-loop= 376.00000000000000
main_MD> interactions number 27 at Temperature= 376.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03625 -0.91026 -1.64786
force_rgl> df(natom) -1.82725 -1.22079 2.44667
6505.0000 -256.37245 -251.51471 4.85774 1.90046 -251.37931 378.90042
6510.0000 -256.31670 -252.08207 4.23463 1.86643 -252.10761 352.88929
6515.0000 -256.50223 -252.42068 4.08155 1.86836 -252.06622 351.91070
6520.0000 -255.63650 -251.56824 4.06826 1.88446 -251.72160 363.52062
6525.0000 -256.41018 -250.98739 5.42278 1.90446 -251.29369 378.60689
6530.0000 -256.13496 -250.67061 5.46435 1.91965 -250.96852 388.20979
6535.0000 -256.07091 -250.81822 5.25269 1.93317 -250.67925 402.69911
6540.0000 -255.88359 -251.25327 4.63032 1.91482 -251.07204 392.38012
6545.0000 -255.94010 -250.84222 5.09788 1.94207 -250.48879 411.00040
6550.0000 -255.68491 -251.00575 4.67916 1.92070 -250.94613 391.79223
6555.0000 -255.80954 -251.39849 4.41105 1.90800 -251.21794 380.68874
6560.0000 -256.39456 -251.04460 5.34996 1.89961 -251.39735 372.51240
6565.0000 -255.49421 -250.86409 4.63013 1.93782 -250.57971 399.37923
6570.0000 -256.15800 -251.36516 4.79283 1.91123 -251.14883 387.42827
6575.0000 -256.96653 -252.95175 4.01478 1.87633 -251.89556 359.68362
6580.0000 -256.90055 -252.27880 4.62175 1.84335 -252.60134 335.90081
6585.0000 -256.72347 -252.26113 4.46234 1.86420 -252.15531 348.91707
6590.0000 -256.38714 -251.39964 4.98749 1.88868 -251.63124 366.37537
6595.0000 -256.00868 -251.10139 4.90728 1.90397 -251.30416 380.98641
6600.0000 -256.21808 -251.19181 5.02626 1.91931 -250.97586 391.67114
6605.0000 -255.69009 -250.96480 4.72529 1.92193 -250.91987 393.91249
6610.0000 -256.28233 -251.36570 4.91663 1.91720 -251.02097 387.30974
6615.0000 -256.36710 -251.46251 4.90459 1.89712 -251.45070 377.22993
6620.0000 -256.40009 -251.96616 4.43393 1.89477 -251.50103 370.52591
6625.0000 -256.76226 -252.33199 4.43028 1.86393 -252.16104 352.71561
6630.0000 -256.31365 -251.44723 4.86642 1.87997 -251.81780 363.12897
6635.0000 -256.51508 -251.88913 4.62595 1.90133 -251.36069 374.46764
6640.0000 -255.83681 -251.16528 4.67154 1.88128 -251.78981 358.29860
6645.0000 -256.05117 -251.29033 4.76084 1.90221 -251.34189 372.70353
6650.0000 -256.84606 -252.06650 4.77956 1.90053 -251.37770 370.57058
6655.0000 -256.49875 -251.84140 4.65735 1.88172 -251.78038 366.00145
6660.0000 -256.43376 -251.60197 4.83179 1.88156 -251.78362 366.17127
6665.0000 -256.03956 -251.30518 4.73437 1.89456 -251.50560 372.61167
6670.0000 -256.15401 -251.20046 4.95354 1.91759 -251.01261 386.63257
6675.0000 -255.35578 -250.47863 4.87716 1.93021 -250.74268 399.02238
6680.0000 -255.62469 -250.57281 5.05189 1.95265 -250.26241 410.09695
6685.0000 -255.87878 -251.08066 4.79812 1.91282 -251.11475 383.37433
6690.0000 -255.99250 -250.84505 5.14745 1.91697 -251.02585 387.66818
6695.0000 -255.98301 -251.19799 4.78502 1.90982 -251.17903 384.37871
6700.0000 -256.58707 -251.67914 4.90793 1.89239 -251.55197 373.53395
6705.0000 -256.46827 -251.85670 4.61157 1.88946 -251.61458 371.30120
6710.0000 -256.03282 -251.18199 4.85083 1.90964 -251.18273 383.38311
6715.0000 -256.27125 -250.99455 5.27671 1.90751 -251.22840 375.45965
6720.0000 -256.71696 -251.79975 4.91721 1.91859 -250.99121 389.22583
6725.0000 -256.29340 -251.61620 4.67721 1.90068 -251.37457 380.86276
6730.0000 -256.01273 -250.80946 5.20328 1.92138 -250.93150 396.35934
6735.0000 -256.02945 -250.97832 5.05113 1.92528 -250.84805 402.03863
6740.0000 -256.01545 -250.96629 5.04917 1.92482 -250.85800 398.31228
6745.0000 -256.09751 -251.03202 5.06548 1.91270 -251.11729 389.07119
6750.0000 -255.47262 -250.58815 4.88447 1.91737 -251.01740 389.77926
FREEZING PROCESS: loop number 28 T-loop= 351.00000000000000
main_MD> interactions number 28 at Temperature= 351.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68235 -0.27659 2.04210
force_rgl> df(natom) -1.48336 0.24934 -1.66814
6755.0000 -257.17414 -252.64549 4.52865 1.88165 -251.78175 363.59077
6760.0000 -256.17424 -252.32805 3.84619 1.86775 -252.07927 353.23383
6765.0000 -256.31526 -252.11986 4.19540 1.85412 -252.37095 342.93637
6770.0000 -256.96860 -252.20867 4.75993 1.87657 -251.89059 362.53683
6775.0000 -257.05001 -252.77776 4.27225 1.85525 -252.34666 346.21196
6780.0000 -256.95585 -252.64843 4.30742 1.83620 -252.75448 331.64231
6785.0000 -256.32232 -251.87216 4.45016 1.87019 -252.02698 357.23419
6790.0000 -257.41607 -253.19131 4.22477 1.84022 -252.66851 331.66395
6795.0000 -257.18859 -253.15980 4.02879 1.81670 -253.17174 316.82623
6800.0000 -256.28750 -251.60624 4.68126 1.85301 -252.39465 343.29597
6805.0000 -256.00596 -251.49305 4.51291 1.89598 -251.47516 369.71480
6810.0000 -256.47658 -251.98339 4.49319 1.87844 -251.85040 354.50464
6815.0000 -256.48568 -251.57982 4.90586 1.87482 -251.92793 359.53615
6820.0000 -256.04461 -251.95596 4.08865 1.87991 -251.81894 364.50572
6825.0000 -256.37323 -251.55290 4.82032 1.87687 -251.88401 360.48929
6830.0000 -256.51551 -251.56059 4.95492 1.87295 -251.96801 357.28359
6835.0000 -256.44212 -252.04526 4.39686 1.87935 -251.83108 363.00793
6840.0000 -256.58168 -251.94368 4.63801 1.86153 -252.21230 348.37399
6845.0000 -256.99025 -252.58151 4.40874 1.87992 -251.81882 360.04985
6850.0000 -257.09794 -252.98978 4.10815 1.85350 -252.38415 342.73433
6855.0000 -256.81879 -252.92814 3.89065 1.83494 -252.78144 329.06027
6860.0000 -257.26530 -253.13722 4.12807 1.83910 -252.69243 330.30541
6865.0000 -256.33824 -252.00183 4.33641 1.85779 -252.29240 346.07840
6870.0000 -256.45863 -251.87230 4.58634 1.86339 -252.17261 348.21936
6875.0000 -256.35237 -251.96445 4.38792 1.89143 -251.57253 367.21027
6880.0000 -256.53670 -251.70137 4.83533 1.86234 -252.19513 349.34652
6885.0000 -256.69487 -251.66951 5.02536 1.88228 -251.76827 365.96336
6890.0000 -256.63390 -251.54661 5.08730 1.89511 -251.49374 375.90119
6895.0000 -256.00646 -251.42214 4.58432 1.89017 -251.59947 372.23492
6900.0000 -256.49312 -251.54061 4.95251 1.88564 -251.69647 366.33190
6905.0000 -256.36566 -251.49990 4.86575 1.89590 -251.47687 374.16108
6910.0000 -256.27697 -251.60140 4.67557 1.89409 -251.51554 373.54010
6915.0000 -256.22428 -250.94266 5.28162 1.88312 -251.75031 364.44610
6920.0000 -256.39973 -251.33580 5.06393 1.89764 -251.43949 371.49252
6925.0000 -256.50471 -252.44493 4.05978 1.87407 -251.94404 358.61612
6930.0000 -256.99261 -252.65641 4.33619 1.85834 -252.28061 342.18397
6935.0000 -256.77527 -252.72923 4.04604 1.83716 -252.73382 328.49931
6940.0000 -257.31650 -252.79238 4.52412 1.83851 -252.70507 333.16264
6945.0000 -256.56080 -252.31701 4.24379 1.85520 -252.34787 345.56043
6950.0000 -256.54467 -251.89678 4.64789 1.85632 -252.32392 342.57090
6955.0000 -256.82797 -252.07493 4.75305 1.87076 -252.01475 356.76544
6960.0000 -256.84994 -252.08128 4.76866 1.86122 -252.21909 348.15558
6965.0000 -256.05052 -251.59450 4.45602 1.90371 -251.30961 378.54041
6970.0000 -256.73813 -252.19802 4.54011 1.89331 -251.53236 371.25958
6975.0000 -256.67195 -252.45916 4.21279 1.84743 -252.51409 335.31137
6980.0000 -256.37665 -252.20651 4.17014 1.85604 -252.32989 339.14134
6985.0000 -256.14917 -251.71373 4.43544 1.87029 -252.02492 352.39595
6990.0000 -257.11696 -252.42255 4.69442 1.87284 -251.97031 356.91358
6995.0000 -256.95398 -252.42691 4.52707 1.85551 -252.34112 347.77092
7000.0000 -257.27920 -252.78659 4.49261 1.86498 -252.13845 350.87871
FREEZING PROCESS: loop number 29 T-loop= 326.00000000000000
main_MD> interactions number 29 at Temperature= 326.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74815 0.46153 -2.07340
force_rgl> df(natom) 1.39817 -0.63657 -0.59791
7005.0000 -256.44001 -252.52127 3.91874 1.83840 -252.70744 333.79775
7010.0000 -257.37030 -253.37136 3.99893 1.83765 -252.72341 330.74294
7015.0000 -257.12342 -253.30880 3.81462 1.79964 -253.53681 299.38628
7020.0000 -257.29676 -252.71573 4.58103 1.82655 -252.96101 321.33407
7025.0000 -257.50051 -253.51113 3.98938 1.80286 -253.46791 303.81396
7030.0000 -257.62521 -254.07155 3.55366 1.78150 -253.92508 287.01926
7035.0000 -257.48203 -253.57655 3.90549 1.79734 -253.58617 297.39781
7040.0000 -256.96405 -252.81036 4.15369 1.80596 -253.40166 305.39396
7045.0000 -256.23726 -252.73105 3.50622 1.82745 -252.94174 321.49309
7050.0000 -256.46926 -251.93497 4.53429 1.85902 -252.26613 345.28207
7055.0000 -257.19230 -252.72930 4.46300 1.84937 -252.47259 342.17319
7060.0000 -256.11072 -252.15325 3.95747 1.84848 -252.49175 339.74523
7065.0000 -257.11910 -253.11423 4.00487 1.83942 -252.68564 329.10081
7070.0000 -256.69553 -252.46420 4.23134 1.83701 -252.73718 328.97423
7075.0000 -257.40112 -252.95336 4.44776 1.85360 -252.38198 340.34019
7080.0000 -256.66245 -252.44451 4.21794 1.83177 -252.84922 322.67248
7085.0000 -256.79820 -252.45173 4.34647 1.84769 -252.50850 339.82550
7090.0000 -257.24512 -252.84129 4.40383 1.83626 -252.75324 329.44724
7095.0000 -257.30597 -253.59875 3.70721 1.82245 -253.04872 318.39505
7100.0000 -257.10183 -253.00462 4.09722 1.83144 -252.85637 323.08600
7105.0000 -256.61852 -252.35954 4.25898 1.85329 -252.38875 339.58838
7110.0000 -256.79930 -252.69190 4.10740 1.81727 -253.15963 311.53878
7115.0000 -256.65849 -252.27847 4.38002 1.86258 -252.18987 345.51733
7120.0000 -256.94661 -252.50745 4.43915 1.85456 -252.36162 340.97718
7125.0000 -256.41400 -251.73431 4.67969 1.87462 -251.93216 359.40983
7130.0000 -256.82139 -252.03036 4.79103 1.87427 -251.93963 353.72276
7135.0000 -256.78571 -252.47269 4.31302 1.87704 -251.88036 350.39153
7140.0000 -256.83026 -252.95850 3.87177 1.85138 -252.42968 335.69424
7145.0000 -256.57637 -252.54553 4.03084 1.85491 -252.35400 341.03553
7150.0000 -256.70016 -252.88027 3.81989 1.84134 -252.64434 331.36910
7155.0000 -256.70001 -252.98273 3.71728 1.83927 -252.68871 329.36718
7160.0000 -256.84472 -252.69250 4.15222 1.82995 -252.88809 320.80178
7165.0000 -257.19045 -252.86501 4.32544 1.82404 -253.01474 315.81667
7170.0000 -257.12930 -253.05502 4.07428 1.82487 -252.99694 317.35204
7175.0000 -256.83011 -252.60154 4.22858 1.83080 -252.87009 321.86141
7180.0000 -256.52595 -252.56455 3.96141 1.84232 -252.62350 328.80169
7185.0000 -256.92779 -252.76060 4.16720 1.82731 -252.94467 321.90044
7190.0000 -256.85449 -252.57938 4.27511 1.83669 -252.74403 322.99868
7195.0000 -257.39974 -252.89959 4.50016 1.82978 -252.89193 318.29533
7200.0000 -256.18718 -251.97332 4.21387 1.86016 -252.24173 342.92344
7205.0000 -257.25257 -253.17462 4.07795 1.85235 -252.40888 336.09607
7210.0000 -256.69633 -252.80889 3.88744 1.84109 -252.64976 328.66617
7215.0000 -257.06492 -253.13826 3.92666 1.82721 -252.94681 319.94646
7220.0000 -257.13255 -252.43636 4.69618 1.85013 -252.45627 336.85085
7225.0000 -256.91601 -252.93751 3.97850 1.83029 -252.88093 321.86848
7230.0000 -256.94117 -253.14465 3.79651 1.83589 -252.76100 326.76394
7235.0000 -256.20593 -252.25134 3.95459 1.83770 -252.72230 327.67998
7240.0000 -256.78917 -252.01153 4.77764 1.87844 -251.85050 354.45760
7245.0000 -255.96618 -251.47998 4.48619 1.86757 -252.08310 346.46280
7250.0000 -257.13348 -252.21411 4.91936 1.86730 -252.08898 348.84103
FREEZING PROCESS: loop number 30 T-loop= 301.00000000000000
main_MD> interactions number 30 at Temperature= 301.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00413 3.71062 -1.62725
force_rgl> df(natom) 2.38947 -0.93506 0.92157
7255.0000 -257.06880 -252.79732 4.27148 1.85175 -252.42172 335.10210
7260.0000 -256.92349 -253.49681 3.42667 1.82508 -252.99248 314.71288
7265.0000 -257.07346 -253.10499 3.96846 1.80946 -253.32666 305.27584
7270.0000 -256.97726 -253.09413 3.88313 1.79612 -253.61227 289.45206
7275.0000 -257.21122 -253.63058 3.58064 1.81223 -253.26734 303.28628
7280.0000 -257.31797 -253.57685 3.74112 1.77613 -254.04006 273.03050
7285.0000 -257.34765 -253.55292 3.79473 1.79433 -253.65050 291.11216
7290.0000 -256.33260 -252.23041 4.10219 1.82565 -252.98025 313.57504
7295.0000 -256.78170 -252.48307 4.29863 1.84653 -252.53340 328.73533
7300.0000 -256.90160 -253.29114 3.61047 1.82488 -252.99660 312.17570
7305.0000 -257.14235 -252.98038 4.16197 1.82828 -252.92396 316.98045
7310.0000 -257.06988 -253.13793 3.93196 1.83246 -252.83438 315.86008
7315.0000 -257.04826 -253.28163 3.76663 1.80545 -253.41254 298.66046
7320.0000 -256.62365 -252.82143 3.80221 1.82818 -252.92599 317.62104
7325.0000 -257.08556 -253.13788 3.94768 1.81183 -253.27594 302.24870
7330.0000 -257.35161 -253.50154 3.85007 1.79842 -253.56290 291.00568
7335.0000 -257.13575 -253.51833 3.61742 1.79427 -253.65177 291.62551
7340.0000 -256.71445 -252.00745 4.70700 1.84393 -252.58904 334.48615
7345.0000 -256.82064 -252.74702 4.07361 1.84737 -252.51546 333.06433
7350.0000 -257.23406 -253.01672 4.21734 1.82814 -252.92688 319.47966
7355.0000 -257.35220 -253.60044 3.75177 1.80217 -253.48263 295.51377
7360.0000 -257.58320 -253.88672 3.69648 1.79284 -253.68230 288.57606
7365.0000 -257.25961 -253.43542 3.82419 1.80720 -253.37502 301.36892
7370.0000 -256.93965 -254.01312 2.92653 1.79187 -253.70323 287.95002
7375.0000 -257.11993 -253.90122 3.21871 1.77999 -253.95726 277.58651
7380.0000 -257.41185 -253.70774 3.70411 1.80209 -253.48440 297.36679
7385.0000 -257.43241 -253.90897 3.52344 1.77973 -253.96290 281.53043
7390.0000 -257.46366 -253.46498 3.99867 1.79855 -253.56021 299.39478
7395.0000 -257.49569 -253.40692 4.08877 1.82839 -252.92163 317.77378
7400.0000 -257.26828 -253.57865 3.68962 1.81176 -253.27743 305.58992
7405.0000 -258.16746 -254.37563 3.79182 1.76588 -254.25939 270.67697
7410.0000 -257.42645 -253.22087 4.20558 1.77161 -254.13661 274.54685
7415.0000 -257.20629 -253.41828 3.78801 1.82658 -252.96027 317.87437
7420.0000 -257.28244 -253.22153 4.06090 1.81741 -253.15653 310.39079
7425.0000 -257.14586 -253.44866 3.69719 1.80611 -253.39834 302.47885
7430.0000 -257.40087 -253.45309 3.94778 1.80692 -253.38101 302.86415
7435.0000 -257.27531 -252.75934 4.51597 1.81821 -253.13950 312.99261
7440.0000 -256.95030 -253.75679 3.19351 1.81454 -253.21793 308.12952
7445.0000 -257.28563 -253.26673 4.01890 1.80081 -253.51174 297.75619
7450.0000 -257.30620 -253.58833 3.71787 1.79517 -253.63243 294.33750
7455.0000 -257.85799 -254.13996 3.71802 1.78642 -253.81983 285.22791
7460.0000 -257.68051 -253.80137 3.87913 1.79694 -253.59464 294.70634
7465.0000 -257.60838 -253.53667 4.07171 1.80052 -253.51806 296.25520
7470.0000 -257.61218 -254.06191 3.55027 1.79281 -253.68300 290.97313
7475.0000 -257.22436 -253.76612 3.45823 1.77843 -253.99076 281.07420
7480.0000 -257.30056 -253.20831 4.09225 1.78801 -253.78564 290.92208
7485.0000 -257.42599 -253.32688 4.09911 1.80860 -253.34503 304.70720
7490.0000 -257.29756 -253.44874 3.84881 1.78750 -253.79662 287.21269
7495.0000 -257.46087 -253.65473 3.80614 1.79089 -253.72400 292.86871
7500.0000 -257.53572 -253.26072 4.27500 1.79019 -253.73915 291.53958
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 27.4651635 [s].
main_MD> Deallocating global variables
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