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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_91/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_91.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 = 91 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: 91 9100
main_MD> Size of nv and nvoiz: 91 9100
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 = 91
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> 0.15260491260303624 6.7490297339462046E-002 -6.9925280058478881E-002 initial drift of cluster / NP1 for coalescence
init> 0.31928471096677952 0.33771567716077744 0.30448126314789620 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5037847429861399E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75358 -0.87913 -0.44591
force_rgl> df(natom) 2.23899 -0.27081 -2.24223
preparo> THERMALIZATION PROCESS AT 1064.0888229688035
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -207.88793589200162 10.139865276093149 -218.02780116809478 6.3042934141723287E-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= 1040.0000000000000
main_MD> interactions number 1 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.35283 1.12365 4.23719
force_rgl> df(natom) 0.00685 2.02688 1.19695
5.0000 -219.06244 -207.15496 11.90748 3.01941 -207.36279 1019.22296
10.0000 -219.90715 -206.99720 12.90996 3.04876 -206.76905 1044.42713
15.0000 -219.39674 -207.69240 11.70434 2.98140 -208.13182 1024.77256
20.0000 -219.61313 -209.16529 10.44785 2.96354 -208.49315 999.74754
25.0000 -221.35135 -209.99107 11.36028 2.94263 -208.91625 980.49507
30.0000 -217.49372 -206.01009 11.48363 2.94763 -208.81512 949.42084
35.0000 -219.24158 -206.83212 12.40945 3.00065 -207.74233 999.30971
40.0000 -217.52103 -203.09553 14.42550 3.11910 -205.34600 1091.97331
45.0000 -220.05296 -206.26631 13.78665 3.13414 -205.04165 1102.06315
50.0000 -218.69145 -207.14523 11.54622 3.01550 -207.44191 1028.38163
55.0000 -219.94614 -206.79354 13.15261 3.01011 -207.55106 1017.09997
60.0000 -219.02849 -207.53831 11.49018 3.02239 -207.30257 1044.36783
65.0000 -216.64954 -204.91165 11.73789 3.07310 -206.27673 1058.75272
70.0000 -220.10619 -206.28075 13.82544 3.10822 -205.56615 1081.55267
75.0000 -218.74507 -204.42803 14.31704 3.10507 -205.62991 1093.70362
80.0000 -219.26651 -207.05615 12.21036 3.17893 -204.13553 1104.75654
85.0000 -219.56159 -205.74011 13.82147 3.07525 -206.23305 1063.77345
90.0000 -218.46968 -205.65797 12.81171 3.08086 -206.11958 1041.53443
95.0000 -218.68060 -206.84836 11.83224 3.08284 -206.07959 1071.04696
100.0000 -218.36427 -204.83029 13.53398 3.05628 -206.61697 1060.50664
105.0000 -218.28018 -205.90463 12.37555 3.14528 -204.81642 1143.61888
110.0000 -217.90639 -205.69266 12.21373 3.10158 -205.70045 1051.07315
115.0000 -218.07424 -206.64667 11.42757 3.14387 -204.84482 1082.49555
120.0000 -217.38037 -204.58049 12.79988 3.12732 -205.17977 1080.97909
125.0000 -219.23058 -207.52593 11.70465 3.11802 -205.36785 1089.83017
130.0000 -218.93348 -205.90454 13.02894 3.03845 -206.97771 1066.44159
135.0000 -221.42535 -209.03609 12.38926 3.01505 -207.45102 1016.31206
140.0000 -221.40641 -208.17123 13.23518 2.93087 -209.15408 975.66898
145.0000 -220.66751 -208.68901 11.97850 2.96181 -208.52812 1005.37771
150.0000 -217.45793 -205.87664 11.58129 3.03481 -207.05137 1054.90628
155.0000 -218.93003 -207.12925 11.80078 3.08749 -205.98553 1076.42655
160.0000 -221.82478 -210.56935 11.25544 2.96957 -208.37130 996.83146
165.0000 -218.96346 -206.66808 12.29538 2.95982 -208.56839 994.09397
170.0000 -218.94343 -208.50219 10.44125 3.01927 -207.36572 1032.65074
175.0000 -217.96479 -207.42725 10.53754 3.03415 -207.06472 1037.12055
180.0000 -219.77951 -208.19955 11.57996 3.00487 -207.65696 1017.47443
185.0000 -218.11743 -204.61403 13.50341 3.06028 -206.53599 1066.44474
190.0000 -218.90106 -207.77787 11.12319 3.05832 -206.57572 1051.79211
195.0000 -219.40450 -207.72013 11.68438 3.00730 -207.60792 1014.86473
200.0000 -219.64914 -207.02228 12.62685 2.96078 -208.54902 1001.89148
205.0000 -219.26371 -206.62191 12.64180 3.08874 -205.96014 1086.79674
210.0000 -221.25234 -209.16416 12.08818 2.97984 -208.16343 1004.36277
215.0000 -219.73373 -207.81718 11.91655 2.99765 -207.80302 1017.31586
220.0000 -216.63965 -205.77332 10.86633 3.07591 -206.21983 1067.49034
225.0000 -218.45036 -205.53425 12.91611 3.15254 -204.66947 1117.06364
230.0000 -218.30203 -206.49100 11.81104 3.05267 -206.68994 1040.70742
235.0000 -217.40775 -206.21347 11.19428 3.10121 -205.70800 1083.87301
240.0000 -219.36965 -206.97842 12.39124 3.04063 -206.93357 1014.90605
245.0000 -219.90968 -208.71965 11.19003 3.07168 -206.30545 1039.89594
250.0000 -219.07875 -207.39564 11.68311 2.96333 -208.49740 1003.56387
FREEZING PROCESS: loop number 2 T-loop= 1015.0000000000000
main_MD> interactions number 2 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.44629 -0.66233 -0.88865
force_rgl> df(natom) -0.35789 4.29222 2.06825
255.0000 -219.49319 -206.11551 13.37768 3.00856 -207.58243 1024.63100
260.0000 -218.39212 -205.19415 13.19797 3.10273 -205.67719 1079.35826
265.0000 -218.63596 -207.78362 10.85234 3.06809 -206.37809 1063.91154
270.0000 -217.00549 -205.75115 11.25435 3.06566 -206.42719 1057.64409
275.0000 -220.30274 -207.36698 12.93576 3.11450 -205.43898 1074.20093
280.0000 -218.05997 -206.26128 11.79869 3.06802 -206.37941 1071.83831
285.0000 -218.42288 -204.14186 14.28102 3.06368 -206.46724 1048.84483
290.0000 -217.66814 -205.86086 11.80729 3.13195 -205.08610 1112.96150
295.0000 -220.95747 -209.08727 11.87020 3.06043 -206.53290 1050.71730
300.0000 -221.05858 -208.51756 12.54102 3.01239 -207.50484 1011.67576
305.0000 -221.56006 -210.92171 10.63835 2.93350 -209.10102 955.43607
310.0000 -222.02571 -208.40600 13.61971 2.93504 -209.06987 974.51692
315.0000 -220.35878 -209.38658 10.97220 2.98274 -208.10469 1010.26475
320.0000 -221.77739 -209.45679 12.32059 2.98242 -208.11117 1020.77124
325.0000 -220.16951 -209.25854 10.91097 2.91893 -209.39567 960.53701
330.0000 -218.65798 -207.22199 11.43599 2.96398 -208.48421 990.59397
335.0000 -218.55267 -207.02075 11.53193 3.04073 -206.93164 1017.78564
340.0000 -220.76549 -207.93105 12.83444 3.02649 -207.21961 1013.67311
345.0000 -219.03368 -207.18813 11.84555 3.00461 -207.66240 1016.70570
350.0000 -220.02383 -208.66417 11.35966 3.03007 -207.14716 1045.71793
355.0000 -219.54036 -207.97226 11.56810 2.97282 -208.30542 996.46858
360.0000 -217.92153 -206.59929 11.32224 3.09857 -205.76138 1035.06377
365.0000 -219.34664 -206.85637 12.49028 3.04822 -206.78001 1024.16527
370.0000 -217.83749 -205.35587 12.48163 3.08827 -205.96984 1079.12715
375.0000 -216.71689 -205.20329 11.51359 3.12286 -205.26988 1076.25618
380.0000 -215.60942 -203.35709 12.25233 3.14542 -204.81350 1126.34441
385.0000 -217.03648 -203.47526 13.56122 3.21024 -203.50220 1134.33461
390.0000 -219.14627 -207.13266 12.01361 3.06294 -206.48229 1065.58760
395.0000 -219.50003 -207.75184 11.74818 3.02887 -207.17141 1042.75825
400.0000 -219.13173 -206.61247 12.51926 3.00428 -207.66894 1029.89316
405.0000 -220.95159 -207.79328 13.15831 2.99867 -207.78254 1019.14374
410.0000 -221.13522 -208.97411 12.16111 2.97759 -208.20896 1019.98388
415.0000 -219.33553 -209.37836 9.95717 2.92640 -209.24460 975.81669
420.0000 -221.65009 -209.45398 12.19611 2.86544 -210.47790 945.65668
425.0000 -221.30951 -209.50246 11.80704 2.91539 -209.46736 975.67335
430.0000 -219.42512 -208.16036 11.26476 2.95694 -208.62682 983.65089
435.0000 -218.59614 -206.57178 12.02436 3.04865 -206.77134 1042.42265
440.0000 -218.99826 -206.98224 12.01602 3.03337 -207.08051 1039.83897
445.0000 -220.09813 -207.97402 12.12411 3.05544 -206.63399 1046.22349
450.0000 -220.24726 -209.09998 11.14728 3.01923 -207.36659 1035.12021
455.0000 -221.43670 -207.79295 13.64375 2.96037 -208.55738 985.52287
460.0000 -220.02672 -207.12834 12.89838 3.03829 -206.98091 1039.48306
465.0000 -220.06250 -208.91268 11.14982 3.00994 -207.55440 1027.95364
470.0000 -218.97746 -207.66229 11.31517 3.00229 -207.70917 1017.79237
475.0000 -220.42586 -209.75490 10.67096 3.02040 -207.34281 1030.66290
480.0000 -220.56871 -208.37410 12.19461 2.97219 -208.31811 1018.96251
485.0000 -219.61120 -206.37275 13.23845 2.97728 -208.21517 1000.80781
490.0000 -219.28420 -208.20240 11.08180 2.97625 -208.23606 1001.95902
495.0000 -219.79181 -207.13064 12.66117 2.97497 -208.26189 994.68016
500.0000 -219.18442 -206.92721 12.25721 3.03930 -206.96044 1069.42530
FREEZING PROCESS: loop number 3 T-loop= 990.00000000000000
main_MD> interactions number 3 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.26325 6.28172 -2.55388
force_rgl> df(natom) 1.30542 -1.59345 -0.39569
505.0000 -218.36531 -206.42669 11.93862 3.02271 -207.29617 1019.13095
510.0000 -219.48062 -204.58448 14.89614 3.08441 -206.04783 1053.55868
515.0000 -219.66401 -209.13973 10.52428 3.00558 -207.64264 1036.04100
520.0000 -219.52702 -207.33752 12.18950 2.95621 -208.64144 985.85351
525.0000 -220.29371 -207.54514 12.74858 3.00994 -207.55446 1022.07922
530.0000 -220.40816 -206.70606 13.70210 3.00770 -207.59983 1031.93909
535.0000 -221.09820 -208.14357 12.95463 3.00978 -207.55780 1028.22517
540.0000 -218.99435 -208.18528 10.80907 2.99520 -207.85269 1016.71917
545.0000 -221.40736 -210.95820 10.44916 2.93919 -208.98582 951.65362
550.0000 -221.07406 -207.60802 13.46604 2.89596 -209.86055 967.87458
555.0000 -222.13846 -209.87155 12.26690 2.90398 -209.69823 955.74273
560.0000 -219.76178 -208.09473 11.66705 2.92913 -209.18944 963.88553
565.0000 -220.84101 -207.21578 13.62523 2.92879 -209.19616 972.12635
570.0000 -220.25525 -208.48165 11.77360 3.02744 -207.20048 1019.21745
575.0000 -219.12779 -209.41262 9.71517 2.91510 -209.47328 972.11039
580.0000 -219.12246 -208.08380 11.03866 2.92572 -209.25830 997.86640
585.0000 -220.89164 -208.49882 12.39282 2.99924 -207.77089 1043.55233
590.0000 -221.73182 -209.52906 12.20276 2.93714 -209.02734 978.90979
595.0000 -220.95128 -207.07673 13.87455 2.97528 -208.25568 1019.41159
600.0000 -219.54527 -206.27827 13.26700 3.04376 -206.87030 1056.30903
605.0000 -216.82300 -205.00859 11.81441 3.12779 -205.17029 1066.70185
610.0000 -217.38905 -204.96603 12.42302 3.11030 -205.52399 1080.62479
615.0000 -219.47016 -206.24417 13.22599 3.13030 -205.11933 1113.55872
620.0000 -219.02719 -206.15013 12.87707 3.08966 -205.94152 1060.43296
625.0000 -217.68094 -205.50755 12.17340 3.06184 -206.50439 1047.98166
630.0000 -217.80118 -207.21528 10.58590 3.03471 -207.05331 1019.19460
635.0000 -220.51339 -208.07292 12.44047 3.03632 -207.02072 1033.81240
640.0000 -218.85923 -205.87914 12.98008 3.05582 -206.62616 1072.48639
645.0000 -220.15652 -207.11234 13.04418 3.09787 -205.77546 1074.62566
650.0000 -221.88940 -208.73367 13.15573 3.01511 -207.44987 1036.48591
655.0000 -218.83306 -207.40354 11.42952 2.97700 -208.22080 1003.67735
660.0000 -220.84691 -208.99723 11.84968 3.01106 -207.53177 1018.43321
665.0000 -220.71463 -210.12846 10.58617 2.90057 -209.76709 956.73036
670.0000 -220.31039 -208.54109 11.76930 2.97258 -208.31032 1006.55238
675.0000 -220.86909 -210.23292 10.63617 2.89981 -209.78248 950.15239
680.0000 -220.98206 -209.23011 11.75195 2.91723 -209.43020 997.15610
685.0000 -220.40902 -207.72996 12.67906 2.92626 -209.24751 986.25210
690.0000 -219.99517 -206.89937 13.09580 3.01200 -207.51274 1032.92977
695.0000 -222.02505 -207.03886 14.98619 3.02156 -207.31937 1030.40997
700.0000 -219.69861 -207.77367 11.92493 3.00978 -207.55762 1029.80629
705.0000 -219.47222 -207.75444 11.71778 2.95823 -208.60059 978.58395
710.0000 -220.26441 -206.11548 14.14893 3.00331 -207.68859 1011.43985
715.0000 -219.20562 -207.02991 12.17571 3.06275 -206.48603 1059.30884
720.0000 -220.17912 -207.87552 12.30360 2.93732 -209.02362 985.96748
725.0000 -221.07378 -208.58130 12.49248 2.97407 -208.28011 1003.04958
730.0000 -220.01882 -207.09151 12.92732 3.01509 -207.45020 1004.80779
735.0000 -220.32041 -208.43017 11.89024 3.00293 -207.69624 1007.39825
740.0000 -218.01142 -207.21086 10.80057 3.02018 -207.34737 1019.53004
745.0000 -219.72065 -208.25890 11.46176 2.99202 -207.91704 993.79818
750.0000 -221.03516 -209.37354 11.66162 2.96009 -208.56292 972.38407
FREEZING PROCESS: loop number 4 T-loop= 965.00000000000000
main_MD> interactions number 4 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18294 5.85435 -1.00440
force_rgl> df(natom) 1.57686 -0.94182 2.08844
755.0000 -218.44592 -209.10034 9.34557 2.94779 -208.81193 972.23075
760.0000 -220.38287 -209.59970 10.78317 2.95350 -208.69626 992.30103
765.0000 -222.56633 -209.00843 13.55790 2.89488 -209.88234 947.33971
770.0000 -219.94021 -208.81712 11.12309 2.92141 -209.34565 988.18810
775.0000 -219.88552 -208.71931 11.16621 2.89265 -209.92743 972.84921
780.0000 -219.67637 -209.42132 10.25504 2.92079 -209.35805 967.96542
785.0000 -220.00940 -209.68611 10.32329 2.85687 -210.65132 943.60210
790.0000 -222.68060 -211.39880 11.28180 2.87161 -210.35312 945.35329
795.0000 -222.28071 -210.10337 12.17735 2.82540 -211.28791 912.73088
800.0000 -220.69217 -207.82393 12.86824 2.96582 -208.44703 986.02079
805.0000 -222.65100 -210.26349 12.38751 2.92117 -209.35041 962.24308
810.0000 -220.48699 -207.43242 13.05457 2.90786 -209.61978 944.87691
815.0000 -220.72914 -209.44678 11.28236 3.00890 -207.57551 1007.68319
820.0000 -222.49606 -209.38875 13.10730 2.88209 -210.14108 917.53050
825.0000 -221.11155 -208.86873 12.24282 2.90998 -209.57675 972.16200
830.0000 -220.01665 -208.74622 11.27043 2.97542 -208.25287 996.93643
835.0000 -219.24685 -207.36152 11.88532 2.97622 -208.23661 990.29591
840.0000 -221.04212 -210.39291 10.64921 2.96921 -208.37849 967.48302
845.0000 -221.50871 -210.35759 11.15112 2.88216 -210.13969 939.68129
850.0000 -220.31273 -208.55666 11.75607 2.90538 -209.66987 973.75829
855.0000 -219.16347 -207.38792 11.77555 2.94394 -208.88972 966.90988
860.0000 -220.01682 -209.42817 10.58865 2.98259 -208.10776 980.51996
865.0000 -218.36954 -206.89599 11.47355 2.99009 -207.95615 1000.83098
870.0000 -220.28177 -207.31826 12.96350 3.01157 -207.52147 1025.04365
875.0000 -221.34567 -209.55564 11.79003 2.97024 -208.35769 1010.03524
880.0000 -220.73006 -207.78519 12.94487 2.98639 -208.03091 1015.35919
885.0000 -216.93247 -206.32733 10.60514 3.00767 -207.60036 1003.65446
890.0000 -219.70826 -207.51717 12.19109 3.03797 -206.98733 1036.49388
895.0000 -220.80727 -209.44525 11.36201 2.97262 -208.30943 999.87210
900.0000 -221.64621 -212.03138 9.61483 2.84391 -210.91353 895.26532
905.0000 -220.06807 -208.24836 11.81971 2.89976 -209.78362 944.38329
910.0000 -219.45528 -207.78824 11.66704 3.00461 -207.66232 1020.01201
915.0000 -217.30817 -206.66020 10.64797 3.01003 -207.55265 1025.59509
920.0000 -220.66805 -208.84842 11.81963 3.00411 -207.67249 1003.27905
925.0000 -220.70447 -207.31911 13.38536 2.94583 -208.85158 968.36415
930.0000 -220.09267 -209.94335 10.14932 2.92434 -209.28637 954.86551
935.0000 -219.16526 -207.73253 11.43273 2.98124 -208.13518 986.54393
940.0000 -222.38296 -210.28475 12.09821 2.94131 -208.94291 986.32637
945.0000 -221.55756 -209.38127 12.17630 2.92420 -209.28910 974.15256
950.0000 -220.68564 -208.89112 11.79452 2.87874 -210.20886 942.89159
955.0000 -218.22629 -207.44823 10.77806 3.01765 -207.39858 1024.07260
960.0000 -218.63719 -206.97947 11.65771 3.02623 -207.22489 1032.75121
965.0000 -220.37911 -208.28316 12.09595 2.98246 -208.11040 981.03156
970.0000 -222.63937 -209.64145 12.99792 2.94160 -208.93704 989.34235
975.0000 -222.23027 -211.19754 11.03273 2.89452 -209.88953 954.56421
980.0000 -220.95983 -210.85098 10.10885 2.80939 -211.61183 888.54497
985.0000 -221.83659 -209.43162 12.40497 2.88929 -209.99544 943.62086
990.0000 -218.71317 -206.62573 12.08744 2.98694 -208.01970 1004.50403
995.0000 -219.03956 -209.23999 9.79957 2.96023 -208.56010 977.99096
1000.0000 -218.79259 -207.84632 10.94627 2.96020 -208.56079 981.20447
FREEZING PROCESS: loop number 5 T-loop= 940.00000000000000
main_MD> interactions number 5 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57315 1.32284 0.02429
force_rgl> df(natom) -4.21826 -3.17432 -1.36095
1005.0000 -219.25051 -208.87131 10.37920 2.98470 -208.06514 992.21517
1010.0000 -221.66574 -210.75949 10.90625 2.89422 -209.89560 928.86973
1015.0000 -221.57226 -211.61694 9.95532 2.81294 -211.54005 873.76479
1020.0000 -221.96042 -209.19993 12.76050 2.84075 -210.97735 914.81677
1025.0000 -223.19565 -211.42396 11.77169 2.89212 -209.93819 957.75462
1030.0000 -220.51805 -208.94489 11.57316 2.79697 -211.86314 897.02234
1035.0000 -220.94094 -209.45655 11.48439 2.87933 -210.19695 963.07018
1040.0000 -219.82808 -207.78258 12.04550 2.91566 -209.46184 953.40264
1045.0000 -221.06120 -210.12553 10.93567 2.88653 -210.05121 939.57962
1050.0000 -221.33247 -209.74532 11.58714 2.89439 -209.89213 936.70781
1055.0000 -221.14334 -210.07227 11.07107 2.92502 -209.27250 951.23374
1060.0000 -222.41306 -212.30917 10.10389 2.84128 -210.96680 932.97590
1065.0000 -221.34166 -210.44917 10.89249 2.78546 -212.09594 890.62731
1070.0000 -224.13241 -214.28792 9.84449 2.72443 -213.33082 838.89536
1075.0000 -222.54117 -210.52627 12.01490 2.78550 -212.09525 897.09768
1080.0000 -219.70954 -207.94855 11.76098 2.94372 -208.89419 974.04077
1085.0000 -220.79831 -208.80437 11.99394 2.93784 -209.01316 982.64244
1090.0000 -220.19239 -207.22627 12.96612 2.94927 -208.78196 1010.85654
1095.0000 -220.69964 -208.52649 12.17315 2.96303 -208.50358 1003.64891
1100.0000 -222.57127 -210.79265 11.77862 2.93276 -209.11593 954.36278
1105.0000 -220.46148 -209.21378 11.24770 2.86926 -210.40059 943.60250
1110.0000 -222.88099 -210.73301 12.14798 2.90397 -209.69833 939.90441
1115.0000 -222.39553 -212.83872 9.55682 2.81761 -211.44564 920.00197
1120.0000 -220.14793 -209.32209 10.82584 2.84677 -210.85572 925.43745
1125.0000 -221.64279 -210.47659 11.16620 2.88461 -210.09005 955.81165
1130.0000 -221.56624 -210.86821 10.69804 2.89182 -209.94431 965.44918
1135.0000 -223.15172 -213.52738 9.62435 2.76894 -212.43032 902.11010
1140.0000 -222.18215 -212.60163 9.58051 2.78531 -212.09899 882.20381
1145.0000 -221.46423 -211.00212 10.46211 2.84429 -210.90585 935.31797
1150.0000 -221.85965 -211.12432 10.73533 2.86330 -210.52111 942.57203
1155.0000 -223.03829 -212.98080 10.05749 2.78870 -212.03057 903.55999
1160.0000 -222.58371 -211.01603 11.56767 2.74165 -212.98228 885.64801
1165.0000 -221.66497 -210.47344 11.19153 2.85430 -210.70336 958.06117
1170.0000 -222.03318 -212.71813 9.31505 2.83646 -211.06427 918.97694
1175.0000 -222.09141 -209.23496 12.85645 2.78759 -212.05293 881.67869
1180.0000 -221.42143 -211.95526 9.46617 2.84653 -210.86039 944.46409
1185.0000 -221.18153 -209.55669 11.62483 2.89302 -209.92000 950.95039
1190.0000 -221.27045 -210.29262 10.97783 2.95969 -208.57101 1001.56159
1195.0000 -221.43565 -210.73555 10.70011 2.89358 -209.90866 947.83704
1200.0000 -222.31647 -212.68998 9.62649 2.83352 -211.12367 898.19860
1205.0000 -224.62705 -213.11296 11.51409 2.72887 -213.24090 866.71128
1210.0000 -221.43013 -213.63794 7.79219 2.73546 -213.10769 869.69055
1215.0000 -223.24764 -211.87887 11.36877 2.80163 -211.76885 891.49295
1220.0000 -222.20439 -211.91072 10.29367 2.81956 -211.40610 904.43815
1225.0000 -222.52118 -210.52066 12.00052 2.76027 -212.60570 886.40575
1230.0000 -223.01012 -211.53628 11.47384 2.86426 -210.50176 930.58040
1235.0000 -220.62604 -210.56284 10.06320 2.83117 -211.17123 929.14748
1240.0000 -219.76889 -209.92494 9.84395 2.88315 -210.11967 937.34851
1245.0000 -220.97332 -211.03546 9.93787 2.87099 -210.36564 932.77654
1250.0000 -223.62263 -213.44800 10.17463 2.76953 -212.41828 873.23240
FREEZING PROCESS: loop number 6 T-loop= 915.00000000000000
main_MD> interactions number 6 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18795 0.03332 -1.82628
force_rgl> df(natom) -0.36486 -0.80894 -1.35706
1255.0000 -224.21887 -213.09720 11.12167 2.75323 -212.74815 881.68516
1260.0000 -224.12376 -214.18263 9.94113 2.70849 -213.65330 844.40794
1265.0000 -223.43348 -214.21176 9.22172 2.74182 -212.97902 844.43872
1270.0000 -222.36415 -212.76318 9.60097 2.74373 -212.94021 867.92730
1275.0000 -223.19571 -213.13827 10.05743 2.73904 -213.03518 857.07643
1280.0000 -223.06072 -212.25496 10.80576 2.77313 -212.34544 889.04109
1285.0000 -221.70669 -210.44155 11.26515 2.85803 -210.62787 916.65118
1290.0000 -222.33189 -212.15896 10.17293 2.86902 -210.40551 946.70021
1295.0000 -223.41099 -211.83069 11.58029 2.73987 -213.01834 880.43927
1300.0000 -221.25658 -211.30594 9.95064 2.81418 -211.51490 896.36694
1305.0000 -222.04295 -211.98476 10.05819 2.82885 -211.21824 939.70531
1310.0000 -222.11826 -209.74514 12.37312 2.82893 -211.21652 930.03543
1315.0000 -220.54485 -210.96639 9.57846 2.86866 -210.41268 927.99331
1320.0000 -223.24481 -211.02606 12.21875 2.81792 -211.43923 903.94791
1325.0000 -221.69011 -210.77855 10.91155 2.84275 -210.93701 930.95453
1330.0000 -222.60769 -212.08006 10.52763 2.78145 -212.17716 878.00915
1335.0000 -220.64667 -209.59470 11.05197 2.79805 -211.84135 886.81788
1340.0000 -221.24026 -210.33945 10.90081 2.90092 -209.76003 951.87654
1345.0000 -221.66667 -211.12119 10.54548 2.85913 -210.60553 933.90409
1350.0000 -222.62486 -211.26709 11.35776 2.82415 -211.31337 904.45762
1355.0000 -220.34020 -209.13382 11.20637 2.88139 -210.15529 944.54998
1360.0000 -220.83575 -211.32105 9.51470 2.86219 -210.54362 913.43294
1365.0000 -222.25222 -210.66569 11.58652 2.81990 -211.39926 929.72032
1370.0000 -223.63232 -212.99705 10.63527 2.76381 -212.53409 848.99525
1375.0000 -222.15208 -212.72543 9.42664 2.77379 -212.33204 873.65400
1380.0000 -221.49779 -211.72214 9.77566 2.75830 -212.64546 857.15959
1385.0000 -220.86971 -210.88687 9.98283 2.82105 -211.37592 886.43350
1390.0000 -221.64734 -210.59027 11.05707 2.82540 -211.28799 897.74647
1395.0000 -222.25339 -212.02498 10.22841 2.84454 -210.90084 906.30741
1400.0000 -222.08602 -212.52901 9.55701 2.79186 -211.96661 903.15674
1405.0000 -221.52913 -211.79647 9.73266 2.80186 -211.76431 871.94626
1410.0000 -222.03178 -210.99264 11.03914 2.85510 -210.68712 915.20982
1415.0000 -222.07918 -212.57042 9.50876 2.79085 -211.98706 879.55720
1420.0000 -221.87227 -210.61657 11.25570 2.80399 -211.72124 896.93029
1425.0000 -224.12967 -215.38046 8.74921 2.74138 -212.98781 848.07104
1430.0000 -221.99251 -209.93468 12.05783 2.80292 -211.74280 876.34766
1435.0000 -221.40747 -208.99350 12.41397 2.87223 -210.34052 941.36080
1440.0000 -220.05272 -209.50187 10.55085 2.91937 -209.38675 968.28804
1445.0000 -221.35124 -211.22758 10.12366 2.83292 -211.13581 901.02532
1450.0000 -222.78448 -212.78505 9.99943 2.80847 -211.63040 895.05104
1455.0000 -221.16097 -212.33655 8.82442 2.75136 -212.78599 852.31898
1460.0000 -218.26239 -206.88453 11.37786 2.90712 -209.63465 939.41899
1465.0000 -219.76884 -208.05174 11.71710 2.95663 -208.63310 977.94267
1470.0000 -221.71385 -210.84595 10.86790 2.95352 -208.69586 973.42822
1475.0000 -221.13747 -209.67040 11.46706 2.83839 -211.02524 919.11208
1480.0000 -222.31139 -212.05472 10.25667 2.86828 -210.42039 927.98866
1485.0000 -221.73749 -210.34885 11.38864 2.84597 -210.87173 939.58485
1490.0000 -223.14618 -211.96558 11.18060 2.79589 -211.88508 924.84065
1495.0000 -223.96766 -214.13072 9.83694 2.71965 -213.42754 834.96834
1500.0000 -221.46878 -211.28505 10.18372 2.81659 -211.46623 915.87855
FREEZING PROCESS: loop number 7 T-loop= 890.00000000000000
main_MD> interactions number 7 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.48773 0.74334 1.99488
force_rgl> df(natom) -0.50423 -2.19209 1.14216
1505.0000 -221.86509 -210.99439 10.87070 2.77097 -212.38927 859.10191
1510.0000 -223.17931 -212.24472 10.93459 2.80597 -211.68107 905.48474
1515.0000 -226.05315 -214.87224 11.18091 2.74538 -212.90690 876.82682
1520.0000 -224.79936 -214.10119 10.69818 2.70874 -213.64810 858.34319
1525.0000 -221.91927 -211.80470 10.11458 2.79540 -211.89496 893.90518
1530.0000 -224.88057 -212.35550 12.52506 2.77897 -212.22723 894.03257
1535.0000 -224.46397 -214.00236 10.46160 2.71540 -213.51339 848.98487
1540.0000 -223.01423 -212.48779 10.52644 2.67968 -214.23602 838.68578
1545.0000 -223.73717 -213.21899 10.51818 2.72395 -213.34053 868.59867
1550.0000 -222.60804 -211.40493 11.20311 2.73529 -213.11102 875.28771
1555.0000 -222.81988 -212.78965 10.03024 2.75473 -212.71769 869.06968
1560.0000 -222.15764 -213.07729 9.08035 2.74837 -212.84634 873.51058
1565.0000 -222.21281 -211.72956 10.48326 2.80378 -211.72531 925.64786
1570.0000 -222.22046 -212.70067 9.51980 2.78271 -212.15164 882.69595
1575.0000 -222.36360 -212.96918 9.39441 2.74229 -212.96940 843.51698
1580.0000 -224.87900 -214.21540 10.66361 2.68313 -214.16631 819.11788
1585.0000 -223.39589 -213.38559 10.01030 2.65520 -214.73147 800.85496
1590.0000 -223.22164 -211.85009 11.37155 2.78331 -212.13950 905.00805
1595.0000 -221.13870 -210.55616 10.58253 2.84913 -210.80789 933.32581
1600.0000 -219.95663 -209.08511 10.87152 2.84659 -210.85929 907.56357
1605.0000 -220.86712 -210.36285 10.50428 2.89164 -209.94793 947.25045
1610.0000 -221.71901 -212.66583 9.05318 2.85567 -210.67562 933.54156
1615.0000 -223.88442 -212.78691 11.09752 2.77408 -212.32629 881.77503
1620.0000 -225.14705 -214.49159 10.65546 2.72145 -213.39102 846.44460
1625.0000 -222.00444 -211.45548 10.54896 2.71359 -213.55014 855.85289
1630.0000 -221.90719 -211.32308 10.58411 2.86252 -210.53705 935.65972
1635.0000 -220.66393 -210.10308 10.56085 2.83982 -210.99630 906.96979
1640.0000 -221.02932 -209.66953 11.35979 2.86964 -210.39294 929.47275
1645.0000 -221.70031 -211.00882 10.69149 2.80253 -211.75061 915.80625
1650.0000 -221.13088 -211.98182 9.14906 2.82134 -211.37015 914.36825
1655.0000 -222.66588 -210.56796 12.09792 2.81332 -211.53241 894.94366
1660.0000 -222.47231 -212.57677 9.89554 2.78334 -212.13901 904.62253
1665.0000 -224.71150 -214.88656 9.82495 2.72526 -213.31393 863.17446
1670.0000 -224.42787 -213.38610 11.04177 2.71045 -213.61365 832.91671
1675.0000 -225.44443 -215.37340 10.07103 2.70376 -213.74896 845.71582
1680.0000 -223.48822 -213.36771 10.12050 2.72339 -213.35181 862.26573
1685.0000 -223.35501 -212.48386 10.87115 2.73250 -213.16752 846.55492
1690.0000 -223.00945 -213.22796 9.78149 2.71669 -213.48733 846.15897
1695.0000 -224.70347 -213.35705 11.34642 2.69572 -213.91154 820.10834
1700.0000 -222.33234 -212.97157 9.36077 2.69523 -213.92158 835.94139
1705.0000 -222.23378 -212.71326 9.52052 2.72689 -213.28100 855.63810
1710.0000 -225.23190 -214.51525 10.71665 2.70510 -213.72183 835.34339
1715.0000 -223.51277 -212.54779 10.96499 2.71560 -213.50932 852.85285
1720.0000 -223.14963 -212.41229 10.73734 2.79147 -211.97441 875.75244
1725.0000 -222.77402 -212.74036 10.03365 2.79057 -211.99264 882.73922
1730.0000 -220.77255 -209.84825 10.92430 2.83777 -211.03766 917.53919
1735.0000 -221.75340 -211.93210 9.82130 2.87114 -210.36251 960.10215
1740.0000 -220.34751 -211.76088 8.58664 2.77578 -212.29196 889.19559
1745.0000 -222.71601 -210.90287 11.81314 2.82619 -211.27194 922.42735
1750.0000 -222.45584 -210.62294 11.83290 2.83738 -211.04552 943.28659
FREEZING PROCESS: loop number 8 T-loop= 865.00000000000000
main_MD> interactions number 8 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.13538 1.28190 -0.82305
force_rgl> df(natom) 0.45637 -2.46870 2.50999
1755.0000 -221.24976 -211.33762 9.91214 2.84561 -210.87921 925.77901
1760.0000 -224.61534 -214.52948 10.08586 2.73588 -213.09907 843.33418
1765.0000 -223.66188 -212.70617 10.95571 2.67607 -214.30913 801.51355
1770.0000 -223.60357 -212.81753 10.78604 2.75030 -212.80741 875.87601
1775.0000 -222.05424 -211.75694 10.29730 2.78491 -212.10706 882.59303
1780.0000 -224.96278 -214.15887 10.80391 2.73745 -213.06734 858.64043
1785.0000 -224.52023 -215.99418 8.52605 2.62142 -215.41475 805.87605
1790.0000 -222.03205 -212.60698 9.42508 2.70789 -213.66542 839.02394
1795.0000 -223.98403 -214.77035 9.21368 2.70899 -213.64312 825.16799
1800.0000 -225.86459 -217.07667 8.78792 2.57588 -216.33616 769.62262
1805.0000 -224.25240 -215.03386 9.21854 2.54917 -216.87657 760.08140
1810.0000 -223.39046 -213.10549 10.28497 2.67162 -214.39910 814.03157
1815.0000 -221.80776 -211.84537 9.96239 2.74907 -212.83224 871.84540
1820.0000 -222.92518 -212.15009 10.77509 2.80854 -211.62918 898.93940
1825.0000 -221.03646 -210.62821 10.40824 2.84183 -210.95553 935.69575
1830.0000 -223.83036 -211.99767 11.83269 2.80782 -211.64369 905.66337
1835.0000 -222.89545 -213.95829 8.93715 2.71925 -213.43547 841.86753
1840.0000 -224.80293 -214.52604 10.27688 2.70405 -213.74316 867.60588
1845.0000 -224.07708 -214.07309 10.00399 2.70109 -213.80303 815.37959
1850.0000 -223.26474 -213.82726 9.43748 2.72138 -213.39253 839.49551
1855.0000 -222.15688 -212.49635 9.66053 2.72289 -213.36199 835.36990
1860.0000 -224.03895 -215.88464 8.15432 2.71508 -213.51994 857.61291
1865.0000 -224.53135 -214.21833 10.31302 2.66534 -214.52618 827.61561
1870.0000 -223.40830 -213.30121 10.10709 2.68543 -214.11969 847.82398
1875.0000 -221.12453 -210.56867 10.55586 2.80776 -211.64480 898.97075
1880.0000 -222.12345 -212.00473 10.11872 2.84428 -210.90605 918.52750
1885.0000 -223.84331 -215.09633 8.74698 2.70458 -213.73240 855.08732
1890.0000 -223.27942 -212.83188 10.44754 2.74709 -212.87235 856.84243
1895.0000 -222.29367 -211.41557 10.87810 2.77437 -212.32040 894.29245
1900.0000 -224.06205 -212.18503 11.87702 2.85444 -210.70039 911.75775
1905.0000 -223.87529 -214.60275 9.27254 2.71836 -213.45355 850.44157
1910.0000 -220.79720 -212.62151 8.17568 2.70751 -213.67313 833.31319
1915.0000 -223.00470 -213.18300 9.82170 2.74496 -212.91546 848.76704
1920.0000 -220.81690 -211.48731 9.32959 2.76715 -212.46647 888.34676
1925.0000 -223.53384 -214.71204 8.82180 2.76820 -212.44513 871.53421
1930.0000 -222.74136 -212.18871 10.55266 2.67416 -214.34770 808.90892
1935.0000 -222.91867 -211.89498 11.02369 2.78145 -212.17707 875.68707
1940.0000 -223.55548 -213.04335 10.51213 2.77075 -212.39353 888.66777
1945.0000 -223.02573 -213.97180 9.05394 2.68398 -214.14913 843.25810
1950.0000 -223.83012 -214.30829 9.52183 2.72969 -213.22438 859.63042
1955.0000 -223.73312 -214.02732 9.70580 2.70737 -213.67586 845.34719
1960.0000 -225.45454 -215.15509 10.29945 2.71001 -213.62242 859.33604
1965.0000 -222.92915 -212.74047 10.18868 2.72083 -213.40355 844.81401
1970.0000 -223.16662 -211.52152 11.64509 2.79494 -211.90427 896.74123
1975.0000 -225.33925 -215.73942 9.59982 2.65388 -214.75802 825.06035
1980.0000 -224.22084 -214.46035 9.76049 2.65281 -214.77967 810.62316
1985.0000 -222.89602 -212.67978 10.21624 2.71246 -213.57288 844.32291
1990.0000 -220.80252 -209.93696 10.86556 2.79953 -211.81130 892.03728
1995.0000 -222.05933 -212.80964 9.24969 2.77624 -212.28256 888.34432
2000.0000 -222.78552 -213.74813 9.03739 2.76244 -212.56174 881.78254
FREEZING PROCESS: loop number 9 T-loop= 840.00000000000000
main_MD> interactions number 9 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.93111 3.03554 3.23661
force_rgl> df(natom) 2.30355 1.13303 0.70394
2005.0000 -224.25594 -213.29914 10.95681 2.72217 -213.37649 842.05984
2010.0000 -224.83994 -213.75445 11.08548 2.71863 -213.44801 861.01974
2015.0000 -223.87669 -214.57420 9.30248 2.69196 -213.98773 844.41004
2020.0000 -223.49488 -212.66134 10.83354 2.71631 -213.49509 839.07382
2025.0000 -224.38524 -214.77480 9.61044 2.65708 -214.69342 787.69834
2030.0000 -223.14645 -214.38120 8.76525 2.67951 -214.23962 826.91407
2035.0000 -226.25663 -217.68590 8.57073 2.58967 -216.05714 788.34786
2040.0000 -225.64368 -216.91653 8.72716 2.52760 -217.31288 732.04544
2045.0000 -223.16604 -214.21945 8.94660 2.61502 -215.54419 774.94550
2050.0000 -222.29979 -212.71057 9.58922 2.73017 -213.21454 848.29189
2055.0000 -220.57760 -211.26062 9.31698 2.74572 -212.90011 830.11455
2060.0000 -222.18933 -211.36814 10.82119 2.82877 -211.21983 890.63488
2065.0000 -222.96694 -212.74015 10.22679 2.75337 -212.74524 871.93553
2070.0000 -222.54001 -213.67809 8.86192 2.71903 -213.44007 834.70165
2075.0000 -221.86602 -212.70425 9.16178 2.73481 -213.12075 860.14878
2080.0000 -223.51027 -213.34443 10.16585 2.76792 -212.45097 839.89386
2085.0000 -222.83399 -214.09654 8.73745 2.68495 -214.12951 831.85090
2090.0000 -224.10764 -213.09812 11.00952 2.69783 -213.86896 855.65556
2095.0000 -224.58997 -214.57843 10.01154 2.71099 -213.60265 828.28052
2100.0000 -222.31395 -212.09313 10.22082 2.71309 -213.56012 832.48885
2105.0000 -221.20207 -211.96978 9.23229 2.77056 -212.39741 868.14939
2110.0000 -222.66222 -211.01771 11.64451 2.76984 -212.41194 879.17561
2115.0000 -222.58305 -210.86297 11.72008 2.83717 -211.04979 900.26559
2120.0000 -224.70005 -213.87770 10.82236 2.77709 -212.26527 884.94639
2125.0000 -222.71473 -211.99537 10.71937 2.76459 -212.51826 886.66104
2130.0000 -222.46982 -212.10750 10.36232 2.76113 -212.58830 893.32774
2135.0000 -222.73701 -212.22031 10.51670 2.82712 -211.25322 927.84655
2140.0000 -223.32471 -213.70015 9.62456 2.70812 -213.66064 843.32107
2145.0000 -223.62493 -214.00995 9.61498 2.67809 -214.26828 823.55260
2150.0000 -224.82591 -214.79538 10.03053 2.70306 -213.76320 843.88018
2155.0000 -224.04571 -214.27418 9.77153 2.66942 -214.44360 819.75865
2160.0000 -221.65535 -211.73414 9.92121 2.77820 -212.24297 871.83643
2165.0000 -222.89007 -212.50653 10.38354 2.78200 -212.16598 887.52807
2170.0000 -224.73279 -215.95016 8.78263 2.67819 -214.26633 823.80319
2175.0000 -225.34336 -216.83930 8.50407 2.59917 -215.86496 785.64029
2180.0000 -225.90614 -217.50187 8.40427 2.53714 -217.12001 711.76377
2185.0000 -223.67638 -213.89780 9.77858 2.63735 -215.09252 792.65462
2190.0000 -223.97791 -212.98273 10.99518 2.70835 -213.65605 857.17982
2195.0000 -223.53043 -213.41888 10.11155 2.72966 -213.22497 853.37396
2200.0000 -223.03426 -212.95459 10.07967 2.71474 -213.52676 842.50847
2205.0000 -222.03022 -212.90168 9.12854 2.73023 -213.21334 841.14852
2210.0000 -224.06060 -214.59136 9.46923 2.71842 -213.45240 840.99880
2215.0000 -224.94472 -214.88490 10.05982 2.65806 -214.67354 790.74744
2220.0000 -223.11643 -213.10969 10.00674 2.70016 -213.82188 811.41091
2225.0000 -221.86102 -213.37180 8.48922 2.73148 -213.18822 856.86963
2230.0000 -221.64241 -210.40155 11.24086 2.80544 -211.69185 896.12997
2235.0000 -223.57463 -213.29616 10.27847 2.77589 -212.28964 885.92317
2240.0000 -223.42592 -212.19243 11.23349 2.74715 -212.87109 866.17021
2245.0000 -222.67147 -210.43784 12.23363 2.81907 -211.41597 945.00331
2250.0000 -222.02255 -213.23881 8.78374 2.73543 -213.10819 856.57910
FREEZING PROCESS: loop number 10 T-loop= 815.00000000000000
main_MD> interactions number 10 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73320 0.29555 0.80404
force_rgl> df(natom) -1.42708 -2.78241 2.90816
2255.0000 -223.19117 -211.92999 11.26118 2.82811 -211.23312 901.95778
2260.0000 -223.08782 -211.63117 11.45665 2.78103 -212.18564 892.24187
2265.0000 -222.49919 -212.78105 9.71814 2.80980 -211.60364 887.86842
2270.0000 -224.26315 -215.80658 8.45656 2.68605 -214.10723 794.54032
2275.0000 -220.34889 -210.98290 9.36599 2.70520 -213.71975 832.16475
2280.0000 -222.82905 -212.24546 10.58358 2.77111 -212.38628 885.75301
2285.0000 -224.06092 -214.96554 9.09539 2.72351 -213.34945 855.60953
2290.0000 -224.29915 -213.88780 10.41136 2.63474 -215.14539 784.69145
2295.0000 -223.50521 -213.26231 10.24289 2.68722 -214.08364 824.73661
2300.0000 -223.87257 -212.17554 11.69703 2.69330 -213.96062 834.77157
2305.0000 -222.05691 -212.15619 9.90072 2.75982 -212.61476 875.72775
2310.0000 -224.45361 -214.08326 10.37035 2.69812 -213.86301 820.87490
2315.0000 -221.97958 -212.31031 9.66927 2.73961 -213.02362 873.11271
2320.0000 -223.89109 -214.42757 9.46352 2.67079 -214.41606 826.39002
2325.0000 -223.46936 -214.06936 9.40001 2.67643 -214.30178 822.74837
2330.0000 -222.02405 -211.75945 10.26460 2.74288 -212.95758 836.57293
2335.0000 -223.88454 -213.78294 10.10160 2.79196 -211.96447 882.75078
2340.0000 -223.70496 -214.08946 9.61549 2.63524 -215.13519 811.61553
2345.0000 -224.88996 -215.81380 9.07615 2.66744 -214.48373 815.54885
2350.0000 -224.69952 -215.90971 8.78981 2.60650 -215.71666 784.58336
2355.0000 -223.13795 -213.36826 9.76969 2.62750 -215.29182 802.25030
2360.0000 -224.61582 -215.17641 9.43941 2.70151 -213.79442 827.28878
2365.0000 -225.43471 -215.60829 9.82641 2.57401 -216.37396 760.43841
2370.0000 -225.28028 -216.63376 8.64652 2.60959 -215.65421 784.91050
2375.0000 -226.07148 -218.08161 7.98988 2.56611 -216.53374 742.91394
2380.0000 -223.35581 -215.05110 8.30471 2.59548 -215.93960 776.44788
2385.0000 -225.14354 -215.80331 9.34023 2.65602 -214.71481 819.63005
2390.0000 -224.19660 -215.11330 9.08330 2.61647 -215.51495 769.96032
2395.0000 -223.86794 -214.16515 9.70278 2.66863 -214.45966 807.08040
2400.0000 -224.21173 -215.21328 8.99845 2.61402 -215.56451 757.88524
2405.0000 -225.01293 -215.10844 9.90450 2.64835 -214.87005 805.93309
2410.0000 -222.63803 -213.82039 8.81764 2.64343 -214.96947 803.44453
2415.0000 -224.16382 -213.44359 10.72023 2.72689 -213.28107 880.05347
2420.0000 -225.26375 -214.78664 10.47711 2.66279 -214.57784 818.70533
2425.0000 -224.57247 -216.64365 7.92882 2.63468 -215.14651 812.70557
2430.0000 -224.24633 -215.10248 9.14385 2.59599 -215.92937 782.61742
2435.0000 -225.49309 -216.44864 9.04445 2.61314 -215.58223 812.49870
2440.0000 -224.37260 -215.13881 9.23378 2.62232 -215.39650 804.67683
2445.0000 -222.09498 -212.74512 9.34987 2.66722 -214.48815 802.88326
2450.0000 -220.76004 -212.68258 8.07746 2.73121 -213.19355 833.80112
2455.0000 -226.14420 -215.75442 10.38978 2.60205 -215.80674 749.81705
2460.0000 -225.18974 -215.55499 9.63474 2.62568 -215.32855 795.68950
2465.0000 -224.09631 -215.78915 8.30716 2.64112 -215.01622 781.65665
2470.0000 -223.54800 -213.29881 10.24920 2.69716 -213.88248 822.65298
2475.0000 -222.99642 -213.61728 9.37914 2.71546 -213.51214 858.57908
2480.0000 -222.79921 -213.00149 9.79771 2.71992 -213.42209 844.76334
2485.0000 -222.17290 -212.34775 9.82515 2.75502 -212.71190 861.04928
2490.0000 -225.91015 -216.28183 9.62832 2.68401 -214.14854 804.92247
2495.0000 -224.73131 -215.33393 9.39738 2.60320 -215.78336 770.46763
2500.0000 -225.08218 -216.28932 8.79287 2.59226 -216.00471 763.43337
FREEZING PROCESS: loop number 11 T-loop= 790.00000000000000
main_MD> interactions number 11 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25894 -2.40114 1.83424
force_rgl> df(natom) 3.59857 0.67382 -1.21136
2505.0000 -224.61118 -216.27638 8.33480 2.57716 -216.31018 755.57978
2510.0000 -225.24550 -216.40968 8.83582 2.58995 -216.05158 756.92403
2515.0000 -225.23342 -216.76030 8.47312 2.55538 -216.75092 727.97998
2520.0000 -223.19619 -214.21935 8.97685 2.61609 -215.52266 776.66126
2525.0000 -223.57860 -213.96103 9.61757 2.69820 -213.86142 833.82731
2530.0000 -224.77016 -216.32135 8.44881 2.67348 -214.36159 820.68441
2535.0000 -225.13802 -215.03636 10.10166 2.62475 -215.34748 795.07523
2540.0000 -224.12113 -215.09802 9.02311 2.65603 -214.71458 810.26690
2545.0000 -223.64138 -215.66477 7.97661 2.65746 -214.68569 800.98855
2550.0000 -225.14407 -216.36738 8.77669 2.59172 -216.01561 788.66303
2555.0000 -224.32572 -214.68872 9.63700 2.64248 -214.98874 805.65376
2560.0000 -225.27248 -215.49534 9.77714 2.65623 -214.71058 816.84166
2565.0000 -226.34118 -216.35808 9.98311 2.56904 -216.47450 764.19522
2570.0000 -225.47986 -216.55817 8.92168 2.61768 -215.49041 787.53173
2575.0000 -221.94741 -213.69598 8.25143 2.61279 -215.58943 770.12892
2580.0000 -224.97141 -216.88476 8.08666 2.63776 -215.08416 780.96756
2585.0000 -223.31177 -213.12159 10.19017 2.66380 -214.55732 785.89856
2590.0000 -223.42883 -215.41499 8.01384 2.70146 -213.79544 821.38931
2595.0000 -224.90301 -216.19339 8.70963 2.60066 -215.83483 765.99990
2600.0000 -225.52329 -215.64237 9.88092 2.63793 -215.08082 787.17539
2605.0000 -224.49656 -214.83097 9.66559 2.66292 -214.57514 799.31323
2610.0000 -224.68392 -216.37720 8.30672 2.59286 -215.99259 743.22822
2615.0000 -225.68633 -216.12271 9.56362 2.59254 -215.99906 772.42517
2620.0000 -224.36543 -214.83234 9.53310 2.63223 -215.19616 768.13512
2625.0000 -222.01331 -213.90346 8.10984 2.64769 -214.88341 812.42549
2630.0000 -224.16193 -215.63866 8.52326 2.66174 -214.59907 806.37316
2635.0000 -225.12247 -215.43275 9.68972 2.59767 -215.89540 787.42283
2640.0000 -225.10715 -215.15704 9.95011 2.58397 -216.17253 759.32044
2645.0000 -223.79551 -215.56188 8.23363 2.60957 -215.65446 763.52646
2650.0000 -223.10732 -213.48117 9.62614 2.62911 -215.25917 746.92994
2655.0000 -224.66456 -215.86932 8.79524 2.67001 -214.43167 803.04650
2660.0000 -224.78088 -215.16006 9.62081 2.61009 -215.64410 772.40273
2665.0000 -224.85291 -215.09374 9.75917 2.62491 -215.34420 789.75839
2670.0000 -225.03617 -215.44671 9.58946 2.63392 -215.16198 803.85654
2675.0000 -225.42274 -215.61266 9.81008 2.61192 -215.60706 788.08386
2680.0000 -223.86822 -214.25112 9.61711 2.62235 -215.39600 786.17575
2685.0000 -226.28335 -217.52858 8.75477 2.58789 -216.09323 777.09661
2690.0000 -225.80501 -216.66996 9.13506 2.53368 -217.18995 750.26070
2695.0000 -224.78459 -215.11887 9.66572 2.58444 -216.16300 778.38367
2700.0000 -224.55330 -215.89082 8.66248 2.61720 -215.50027 795.35512
2705.0000 -227.08042 -218.13037 8.95005 2.53700 -217.12266 736.03922
2710.0000 -225.65760 -217.00277 8.65483 2.55575 -216.74334 738.17230
2715.0000 -224.95698 -216.74483 8.21215 2.54862 -216.88768 741.66464
2720.0000 -225.27058 -216.46816 8.80241 2.55739 -216.71028 756.66327
2725.0000 -224.18777 -214.85887 9.32890 2.65051 -214.82619 795.74243
2730.0000 -225.54703 -216.15104 9.39598 2.62181 -215.40697 797.34737
2735.0000 -224.20476 -215.88059 8.32417 2.61107 -215.62415 771.71617
2740.0000 -224.67109 -215.68562 8.98547 2.59601 -215.92883 753.38732
2745.0000 -225.39626 -216.75752 8.63875 2.61129 -215.61982 757.11104
2750.0000 -226.32359 -217.32941 8.99418 2.52662 -217.33278 732.12246
FREEZING PROCESS: loop number 12 T-loop= 765.00000000000000
main_MD> interactions number 12 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10218 0.63093 0.70461
force_rgl> df(natom) -0.52458 0.82567 0.45346
2755.0000 -225.50547 -216.91049 8.59497 2.54526 -216.95569 725.28864
2760.0000 -225.29921 -216.94609 8.35312 2.54838 -216.89258 745.87506
2765.0000 -224.45456 -215.91597 8.53858 2.57472 -216.35955 779.77693
2770.0000 -227.26997 -218.94456 8.32541 2.54021 -217.05785 731.66006
2775.0000 -224.84922 -216.39309 8.45613 2.50763 -217.71698 720.61448
2780.0000 -225.20372 -216.10255 9.10117 2.57534 -216.34706 747.12676
2785.0000 -224.24386 -215.03957 9.20429 2.60656 -215.71550 805.60369
2790.0000 -223.51753 -214.07711 9.44042 2.65583 -214.71873 831.43365
2795.0000 -223.76643 -214.71336 9.05307 2.61366 -215.57177 784.68976
2800.0000 -223.59378 -215.18008 8.41370 2.64070 -215.02466 784.88451
2805.0000 -224.52923 -215.01821 9.51102 2.65333 -214.76920 799.44004
2810.0000 -225.41054 -216.56320 8.84734 2.62100 -215.42324 792.53014
2815.0000 -225.52513 -215.91546 9.60967 2.56020 -216.65337 768.15036
2820.0000 -225.10208 -215.51482 9.58726 2.58634 -216.12453 781.77038
2825.0000 -224.29856 -213.90917 10.38939 2.70793 -213.66455 864.50784
2830.0000 -225.00403 -215.89309 9.11094 2.65770 -214.68081 817.72042
2835.0000 -225.99144 -216.00233 9.98911 2.58682 -216.11485 757.99374
2840.0000 -225.82963 -216.66039 9.16923 2.53575 -217.14806 738.67764
2845.0000 -225.23416 -217.57752 7.65664 2.53151 -217.23375 708.10531
2850.0000 -224.89186 -215.16327 9.72859 2.57785 -216.29629 770.84445
2855.0000 -223.32631 -214.55569 8.77062 2.67037 -214.42456 815.86844
2860.0000 -225.18779 -216.27096 8.91683 2.62172 -215.40875 793.77308
2865.0000 -224.14047 -215.23844 8.90204 2.59053 -216.03970 763.72205
2870.0000 -224.22761 -215.24683 8.98079 2.63377 -215.16502 796.06812
2875.0000 -223.79744 -213.56255 10.23489 2.69099 -214.00721 831.73024
2880.0000 -223.21058 -213.40689 9.80369 2.71373 -213.54728 840.66851
2885.0000 -226.49156 -217.03589 9.45568 2.62254 -215.39212 761.10026
2890.0000 -224.78777 -215.77735 9.01041 2.58465 -216.15868 751.00868
2895.0000 -223.27259 -214.10432 9.16826 2.68149 -214.19957 814.90610
2900.0000 -224.97499 -216.02083 8.95416 2.62976 -215.24612 788.26226
2905.0000 -226.45736 -217.14695 9.31041 2.59207 -216.00853 765.96757
2910.0000 -225.95984 -217.51321 8.44663 2.55952 -216.66711 740.99542
2915.0000 -225.71935 -216.41905 9.30030 2.54349 -216.99136 732.23026
2920.0000 -226.23098 -216.71188 9.51910 2.57168 -216.42112 766.43288
2925.0000 -225.56170 -216.61156 8.95014 2.57895 -216.27405 755.09053
2930.0000 -225.67729 -217.08512 8.59217 2.52882 -217.28829 712.44292
2935.0000 -225.31038 -216.16759 9.14279 2.58976 -216.05531 770.32701
2940.0000 -224.21665 -214.76127 9.45537 2.60553 -215.73626 767.78456
2945.0000 -223.65620 -215.01383 8.64237 2.63719 -215.09565 804.97030
2950.0000 -224.80636 -216.73071 8.07565 2.59713 -215.90622 760.11101
2955.0000 -224.48299 -217.02929 7.45371 2.52085 -217.44941 718.78146
2960.0000 -225.49266 -215.31984 10.17281 2.59182 -216.01372 754.47990
2965.0000 -224.94962 -214.70468 10.24494 2.69020 -214.02332 820.73260
2970.0000 -225.03286 -215.73573 9.29713 2.61090 -215.62767 775.29925
2975.0000 -225.21094 -215.81315 9.39779 2.62155 -215.41222 774.50000
2980.0000 -225.94273 -216.91292 9.02981 2.59504 -215.94846 770.95323
2985.0000 -225.12845 -217.76672 7.36173 2.52493 -217.36702 725.90185
2990.0000 -228.01106 -218.08386 9.92720 2.50563 -217.75748 734.50277
2995.0000 -225.28342 -216.32855 8.95487 2.53344 -217.19474 755.87945
3000.0000 -225.48848 -216.03783 9.45066 2.60131 -215.82161 799.78606
FREEZING PROCESS: loop number 13 T-loop= 740.00000000000000
main_MD> interactions number 13 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42017 -0.83730 -0.03438
force_rgl> df(natom) -0.57751 0.73315 0.96212
3005.0000 -224.07463 -214.55975 9.51487 2.61598 -215.52477 788.63847
3010.0000 -224.96072 -216.24179 8.71893 2.60015 -215.84521 796.96059
3015.0000 -225.40632 -217.20589 8.20044 2.58084 -216.23581 760.93322
3020.0000 -225.13644 -217.47271 7.66373 2.55639 -216.73036 769.32066
3025.0000 -224.41222 -215.41686 8.99535 2.57076 -216.43965 747.33396
3030.0000 -225.26849 -217.01067 8.25782 2.59186 -216.01281 765.64649
3035.0000 -224.88089 -216.99392 7.88697 2.56356 -216.58534 742.28844
3040.0000 -227.18882 -218.53208 8.65674 2.53136 -217.23691 725.34103
3045.0000 -225.20024 -216.57168 8.62857 2.52233 -217.41959 723.80760
3050.0000 -223.42096 -214.42330 8.99765 2.63958 -215.04743 780.27621
3055.0000 -224.16427 -215.63384 8.53043 2.61800 -215.48392 755.38091
3060.0000 -226.14694 -217.16215 8.98478 2.57694 -216.31463 761.23556
3065.0000 -226.74241 -217.58787 9.15454 2.54245 -217.01256 754.68446
3070.0000 -225.88657 -217.52751 8.35907 2.49486 -217.97537 716.11812
3075.0000 -225.65374 -217.27053 8.38321 2.54871 -216.88577 756.93052
3080.0000 -226.57212 -218.19464 8.37748 2.51075 -217.65387 711.35867
3085.0000 -227.15707 -218.74927 8.40780 2.44881 -218.90705 674.59056
3090.0000 -225.52384 -215.74753 9.77631 2.55593 -216.73982 724.35382
3095.0000 -223.18755 -213.90436 9.28319 2.60755 -215.69548 786.50896
3100.0000 -226.16510 -217.28345 8.88164 2.62626 -215.31693 774.57805
3105.0000 -225.22621 -217.20330 8.02291 2.56149 -216.62725 741.26459
3110.0000 -224.75291 -215.82413 8.92878 2.56226 -216.61171 740.73829
3115.0000 -226.31092 -218.14005 8.17087 2.53807 -217.10101 736.95563
3120.0000 -226.46132 -217.94143 8.51989 2.49527 -217.96700 697.95235
3125.0000 -226.55534 -218.07645 8.47889 2.54205 -217.02056 732.04533
3130.0000 -226.27847 -218.16655 8.11192 2.49307 -218.01150 716.90751
3135.0000 -224.25086 -215.78536 8.46550 2.57684 -216.31678 773.79944
3140.0000 -226.69595 -217.37500 9.32094 2.55234 -216.81235 718.74691
3145.0000 -223.61200 -215.48696 8.12504 2.57458 -216.36251 753.61871
3150.0000 -225.22899 -217.20300 8.02599 2.57386 -216.37710 749.70292
3155.0000 -225.03737 -215.33125 9.70612 2.57086 -216.43778 753.02642
3160.0000 -225.13999 -216.50338 8.63660 2.56502 -216.55580 763.74058
3165.0000 -225.47306 -217.12521 8.34785 2.55287 -216.80158 750.30370
3170.0000 -226.08689 -217.95481 8.13209 2.51488 -217.57022 721.39038
3175.0000 -226.07916 -217.23317 8.84599 2.51076 -217.65370 704.07830
3180.0000 -225.59870 -216.41483 9.18387 2.55263 -216.80650 728.41788
3185.0000 -226.74961 -218.34590 8.40370 2.52662 -217.33270 714.31664
3190.0000 -226.61851 -218.32891 8.28960 2.48955 -218.08274 705.37825
3195.0000 -225.71229 -216.91147 8.80082 2.53305 -217.20266 727.03532
3200.0000 -225.24509 -216.06588 9.17920 2.55519 -216.75471 748.29099
3205.0000 -226.46451 -215.81846 10.64605 2.58787 -216.09359 779.82192
3210.0000 -226.13020 -217.22646 8.90374 2.51979 -217.47097 719.58500
3215.0000 -226.82444 -218.44319 8.38125 2.50045 -217.86220 714.08931
3220.0000 -225.95060 -217.97829 7.97231 2.48953 -218.08306 723.48564
3225.0000 -225.53805 -215.89058 9.64747 2.56211 -216.61482 759.13265
3230.0000 -225.07889 -216.72667 8.35222 2.55968 -216.66396 743.33375
3235.0000 -226.24736 -217.99053 8.25682 2.52452 -217.37526 720.29457
3240.0000 -225.65411 -217.55875 8.09536 2.51898 -217.48729 695.16767
3245.0000 -225.41818 -216.29604 9.12214 2.56532 -216.54986 741.55317
3250.0000 -225.37989 -217.02072 8.35917 2.54476 -216.96566 739.59995
FREEZING PROCESS: loop number 14 T-loop= 715.00000000000000
main_MD> interactions number 14 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.77634 -1.62677 0.70606
force_rgl> df(natom) 2.49437 -1.51686 2.42273
3255.0000 -224.99955 -217.06019 7.93936 2.54714 -216.91757 757.00394
3260.0000 -226.03175 -216.72029 9.31145 2.55468 -216.76503 763.17122
3265.0000 -225.37732 -217.46290 7.91442 2.55174 -216.82456 751.48607
3270.0000 -226.91350 -218.06564 8.84786 2.45908 -218.69920 689.99152
3275.0000 -227.40211 -217.19134 10.21077 2.50183 -217.83434 721.48293
3280.0000 -226.73117 -217.90708 8.82409 2.46290 -218.62183 702.59367
3285.0000 -225.16990 -216.22374 8.94615 2.53689 -217.12488 751.09148
3290.0000 -225.93093 -217.94032 7.99061 2.54986 -216.86257 731.75827
3295.0000 -226.23630 -217.71939 8.51692 2.50888 -217.69166 713.33694
3300.0000 -227.41296 -218.96032 8.45263 2.44972 -218.88863 691.90719
3305.0000 -227.91272 -219.02015 8.89257 2.40819 -219.72869 669.56262
3310.0000 -225.63270 -217.66451 7.96819 2.45953 -218.69009 691.83061
3315.0000 -226.58706 -218.29267 8.29439 2.50255 -217.81968 686.05472
3320.0000 -226.60478 -217.74459 8.86019 2.46955 -218.48743 690.52343
3325.0000 -228.27949 -220.50139 7.77810 2.45154 -218.85179 701.69533
3330.0000 -229.15651 -220.47911 8.67740 2.37399 -220.42073 643.48259
3335.0000 -226.36436 -218.84706 7.51730 2.39761 -219.94273 661.46208
3340.0000 -225.51494 -216.68282 8.83212 2.51574 -217.55288 726.81537
3345.0000 -224.71409 -217.37532 7.33877 2.57054 -216.44408 739.71464
3350.0000 -226.06167 -218.34620 7.71547 2.49479 -217.97665 698.31377
3355.0000 -226.48021 -218.78208 7.69813 2.47507 -218.37569 685.94033
3360.0000 -227.44532 -217.87643 9.56889 2.50704 -217.72884 690.91510
3365.0000 -226.02335 -217.66905 8.35430 2.51806 -217.50596 721.93739
3370.0000 -227.19782 -219.02598 8.17184 2.47914 -218.29340 697.62075
3375.0000 -227.15028 -218.01614 9.13413 2.46284 -218.62303 708.39495
3380.0000 -226.33890 -216.96055 9.37835 2.49763 -217.91927 705.57043
3385.0000 -224.91979 -217.02802 7.89177 2.51599 -217.54778 712.21426
3390.0000 -225.64851 -217.41383 8.23468 2.53349 -217.19367 725.66845
3395.0000 -225.84164 -217.14125 8.70039 2.56395 -216.57760 755.75460
3400.0000 -227.27864 -218.73686 8.54178 2.47059 -218.46631 711.30395
3405.0000 -226.49367 -217.81900 8.67467 2.52583 -217.34873 732.88536
3410.0000 -225.56420 -217.03915 8.52505 2.53053 -217.25370 744.08514
3415.0000 -225.08126 -217.32728 7.75398 2.53139 -217.23619 726.97566
3420.0000 -227.98807 -218.72104 9.26703 2.49383 -217.99605 726.59774
3425.0000 -227.08303 -220.16715 6.91588 2.41058 -219.68036 643.94417
3430.0000 -228.28774 -219.69027 8.59748 2.42960 -219.29558 669.72117
3435.0000 -227.01437 -219.66549 7.34888 2.41620 -219.56666 671.72368
3440.0000 -226.27200 -218.64635 7.62565 2.43343 -219.21819 672.40811
3445.0000 -227.15570 -218.44136 8.71435 2.48224 -218.23053 712.53674
3450.0000 -227.04487 -218.59975 8.44512 2.47260 -218.42568 701.82565
3455.0000 -225.73153 -218.58972 7.14181 2.48475 -218.17981 704.46201
3460.0000 -227.37085 -219.05581 8.31505 2.43618 -219.16242 669.37045
3465.0000 -225.40664 -216.81372 8.59291 2.47145 -218.44887 696.29686
3470.0000 -227.47454 -219.41054 8.06400 2.46489 -218.58166 692.99712
3475.0000 -227.20329 -218.55771 8.64558 2.46188 -218.64260 668.35983
3480.0000 -225.58371 -216.62152 8.96218 2.49581 -217.95608 723.93513
3485.0000 -225.05174 -216.10399 8.94775 2.57814 -216.29037 755.02055
3490.0000 -226.75710 -217.71558 9.04152 2.54100 -217.04189 731.75852
3495.0000 -226.65867 -218.05413 8.60454 2.51999 -217.46695 711.53607
3500.0000 -225.51294 -216.49045 9.02250 2.53993 -217.06352 758.69840
FREEZING PROCESS: loop number 15 T-loop= 690.00000000000000
main_MD> interactions number 15 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.18948 1.30700 0.05628
force_rgl> df(natom) 2.19768 0.25006 -1.90241
3505.0000 -226.83806 -218.57247 8.26559 2.47553 -218.36643 711.68287
3510.0000 -227.71987 -219.71839 8.00148 2.45052 -218.87246 694.37421
3515.0000 -227.06550 -218.71865 8.34685 2.42036 -219.48246 694.20104
3520.0000 -228.48217 -220.63991 7.84226 2.39237 -220.04883 657.11112
3525.0000 -226.37994 -218.98426 7.39568 2.40461 -219.80122 660.62654
3530.0000 -227.54165 -220.30568 7.23597 2.44529 -218.97807 672.26906
3535.0000 -226.82845 -217.96581 8.86265 2.42769 -219.33432 665.19628
3540.0000 -226.03571 -218.16237 7.87334 2.51067 -217.65554 729.25174
3545.0000 -226.12234 -218.77858 7.34376 2.47018 -218.47468 685.21082
3550.0000 -226.96797 -218.58526 8.38271 2.46126 -218.65504 675.98642
3555.0000 -225.73159 -217.29895 8.43264 2.48633 -218.14791 697.25474
3560.0000 -225.91598 -217.40926 8.50672 2.47655 -218.34573 715.74660
3565.0000 -226.69479 -218.69942 7.99537 2.49031 -218.06736 724.39673
3570.0000 -225.93507 -217.92849 8.00658 2.49726 -217.92672 710.86736
3575.0000 -226.99786 -219.10691 7.89095 2.48421 -218.19075 706.86797
3580.0000 -226.29670 -219.95424 6.34247 2.39952 -219.90425 622.57859
3585.0000 -226.28185 -217.86737 8.41448 2.45725 -218.73617 679.64534
3590.0000 -226.70045 -219.17821 7.52224 2.50428 -217.78470 707.29544
3595.0000 -227.94618 -220.51359 7.43258 2.38316 -220.23512 627.41478
3600.0000 -227.73741 -221.02766 6.70975 2.39171 -220.06218 635.76720
3605.0000 -227.82737 -218.50969 9.31768 2.44409 -219.00243 654.33976
3610.0000 -226.97423 -218.24520 8.72904 2.47284 -218.42078 712.76718
3615.0000 -226.98367 -219.80289 7.18078 2.45772 -218.72671 690.50378
3620.0000 -226.31153 -219.43692 6.87460 2.39271 -220.04191 646.95302
3625.0000 -230.08584 -221.00027 9.08557 2.36734 -220.55531 672.30124
3630.0000 -227.64429 -219.57191 8.07239 2.37927 -220.31393 673.07519
3635.0000 -228.52751 -220.50316 8.02435 2.37960 -220.30721 638.41240
3640.0000 -226.35475 -217.48944 8.86531 2.44302 -219.02407 679.09849
3645.0000 -228.08186 -218.79662 9.28523 2.45576 -218.76629 705.24701
3650.0000 -226.26804 -219.17836 7.08968 2.45131 -218.85647 695.68434
3655.0000 -227.11748 -219.36971 7.74777 2.44136 -219.05773 681.10872
3660.0000 -226.38935 -219.09607 7.29328 2.41875 -219.51505 670.28481
3665.0000 -228.60293 -220.94812 7.65481 2.38440 -220.21003 650.48421
3670.0000 -228.00241 -220.21073 7.79169 2.36868 -220.52818 632.73899
3675.0000 -227.40922 -219.99685 7.41237 2.38884 -220.12014 640.71842
3680.0000 -227.12561 -219.65290 7.47271 2.41970 -219.49588 666.81858
3685.0000 -227.33322 -220.02246 7.31076 2.39851 -219.92452 643.52320
3690.0000 -225.11219 -216.34574 8.76646 2.47990 -218.27795 684.55505
3695.0000 -226.51108 -218.28871 8.22237 2.50181 -217.83459 707.82082
3700.0000 -227.68870 -219.27400 8.41470 2.46480 -218.58352 697.27075
3705.0000 -227.64572 -220.87099 6.77474 2.39873 -219.92025 652.99655
3710.0000 -228.96190 -220.51489 8.44702 2.33246 -221.26079 625.01502
3715.0000 -227.19238 -219.98412 7.20825 2.37380 -220.42455 646.30914
3720.0000 -227.20713 -219.16643 8.04070 2.44171 -219.05062 682.65908
3725.0000 -227.06255 -219.38355 7.67899 2.43965 -219.09232 670.01830
3730.0000 -226.51426 -218.34569 8.16857 2.46110 -218.65839 682.65382
3735.0000 -226.42703 -218.88876 7.53827 2.46348 -218.61017 674.49579
3740.0000 -227.07906 -219.34773 7.73133 2.41739 -219.54272 658.20092
3745.0000 -227.17682 -220.26809 6.90873 2.42704 -219.34730 651.24355
3750.0000 -225.65748 -217.99685 7.66063 2.45922 -218.69636 682.67134
FREEZING PROCESS: loop number 16 T-loop= 665.00000000000000
main_MD> interactions number 16 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80659 -1.53522 1.55456
force_rgl> df(natom) 1.08254 2.10082 1.97624
3755.0000 -226.11278 -217.50343 8.60935 2.55767 -216.70449 738.04304
3760.0000 -226.75923 -218.38458 8.37466 2.50979 -217.67319 713.43654
3765.0000 -226.86637 -218.57907 8.28730 2.48380 -218.19911 725.21844
3770.0000 -227.78225 -220.56748 7.21476 2.43019 -219.28360 686.31822
3775.0000 -228.18678 -220.26754 7.91924 2.36523 -220.59796 634.66890
3780.0000 -227.56437 -219.00605 8.55832 2.41411 -219.60907 702.11416
3785.0000 -227.18392 -219.44596 7.73796 2.43685 -219.14895 700.76369
3790.0000 -227.56855 -220.07572 7.49283 2.38316 -220.23511 663.05236
3795.0000 -226.95277 -219.39732 7.55546 2.42913 -219.30507 686.80022
3800.0000 -228.32314 -221.17161 7.15153 2.37638 -220.37241 628.54373
3805.0000 -229.21495 -219.09808 10.11687 2.39662 -219.96285 640.06046
3810.0000 -227.65583 -220.74622 6.90961 2.42080 -219.47356 654.99015
3815.0000 -228.25652 -221.16559 7.09093 2.38038 -220.29138 630.97797
3820.0000 -227.27523 -220.25355 7.02168 2.34119 -221.08421 606.27056
3825.0000 -227.40799 -219.18191 8.22608 2.42160 -219.45755 656.81207
3830.0000 -225.85715 -219.06372 6.79343 2.42036 -219.48245 663.87289
3835.0000 -227.45098 -220.29386 7.15712 2.40439 -219.80560 651.22643
3840.0000 -227.79212 -220.26217 7.52995 2.39018 -220.09320 653.59318
3845.0000 -228.90643 -221.41515 7.49129 2.34350 -221.03763 635.82608
3850.0000 -228.15838 -221.39141 6.76697 2.34930 -220.92025 617.60880
3855.0000 -228.41840 -221.43862 6.97977 2.30397 -221.83736 606.41026
3860.0000 -229.92872 -222.32550 7.60322 2.31218 -221.67121 607.61431
3865.0000 -228.05247 -219.62131 8.43116 2.35949 -220.71410 635.20630
3870.0000 -228.06202 -219.90507 8.15695 2.42988 -219.28987 662.25785
3875.0000 -227.22245 -220.52137 6.70108 2.39483 -219.99898 647.60859
3880.0000 -227.44846 -219.74488 7.70358 2.41766 -219.53724 672.85731
3885.0000 -227.06114 -219.08843 7.97272 2.41883 -219.51342 658.90625
3890.0000 -227.55743 -219.66635 7.89108 2.42420 -219.40486 665.41862
3895.0000 -225.98906 -217.90295 8.08611 2.44363 -219.01166 677.33345
3900.0000 -227.66960 -218.48606 9.18354 2.45433 -218.79518 694.35812
3905.0000 -226.92250 -218.98925 7.93325 2.44644 -218.95496 682.29407
3910.0000 -228.19253 -220.11325 8.07928 2.38881 -220.12080 664.94832
3915.0000 -227.34697 -220.58378 6.76319 2.38410 -220.21615 666.48667
3920.0000 -227.16722 -219.34182 7.82540 2.41956 -219.49882 673.74608
3925.0000 -225.62585 -217.00295 8.62290 2.52470 -217.37152 740.08043
3930.0000 -226.82666 -218.32442 8.50225 2.50241 -217.82246 719.96590
3935.0000 -226.94032 -218.47142 8.46889 2.47972 -218.28155 680.80075
3940.0000 -226.17208 -219.37880 6.79328 2.44360 -219.01241 660.19145
3945.0000 -227.16121 -219.80625 7.35496 2.42375 -219.41392 655.55083
3950.0000 -228.61991 -220.38401 8.23590 2.40125 -219.86908 650.62315
3955.0000 -228.90692 -220.72413 8.18279 2.39249 -220.04633 654.16842
3960.0000 -227.68267 -219.57890 8.10378 2.37899 -220.31947 656.48960
3965.0000 -227.69635 -220.88826 6.80809 2.38426 -220.21285 638.55097
3970.0000 -227.66729 -219.49574 8.17156 2.40357 -219.82230 652.15439
3975.0000 -229.26005 -221.27024 7.98981 2.39834 -219.92798 659.84048
3980.0000 -226.61664 -219.93834 6.67830 2.38806 -220.13600 647.62176
3985.0000 -226.58994 -218.69063 7.89931 2.41989 -219.49199 679.09022
3990.0000 -225.97701 -219.22795 6.74906 2.45989 -218.68278 690.44867
3995.0000 -227.44202 -220.15802 7.28400 2.42884 -219.31096 664.72204
4000.0000 -228.26810 -219.95665 8.31145 2.40532 -219.78690 642.07885
FREEZING PROCESS: loop number 17 T-loop= 640.00000000000000
main_MD> interactions number 17 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.77755 1.30605 0.01087
force_rgl> df(natom) -1.85785 -0.53630 -0.44352
4005.0000 -227.92614 -220.24911 7.67703 2.42592 -219.37010 643.96573
4010.0000 -227.67671 -220.43690 7.23981 2.38201 -220.25851 626.21888
4015.0000 -227.03503 -219.56446 7.47057 2.39968 -219.90102 637.51918
4020.0000 -226.23762 -218.72720 7.51042 2.40194 -219.85523 664.44901
4025.0000 -226.73851 -219.84417 6.89434 2.43674 -219.15108 688.12767
4030.0000 -227.54538 -219.53467 8.01072 2.38653 -220.16689 666.91221
4035.0000 -227.93206 -220.33296 7.59910 2.36698 -220.56252 654.56025
4040.0000 -228.92935 -221.12745 7.80191 2.36022 -220.69917 649.40819
4045.0000 -227.28753 -220.43769 6.84984 2.34376 -221.03235 647.14556
4050.0000 -226.60117 -218.80797 7.79319 2.43267 -219.23347 666.84627
4055.0000 -226.53391 -218.58993 7.94398 2.45221 -218.83808 671.73609
4060.0000 -226.58308 -218.73821 7.84487 2.42403 -219.40837 648.94138
4065.0000 -228.76185 -220.73303 8.02881 2.40100 -219.87425 642.96197
4070.0000 -227.76836 -220.69380 7.07456 2.34602 -220.98660 621.77634
4075.0000 -228.91454 -221.15904 7.75550 2.35134 -220.87886 639.62932
4080.0000 -228.45410 -222.52062 5.93348 2.31902 -221.53276 608.48440
4085.0000 -229.46960 -222.12588 7.34372 2.28797 -222.16093 592.69956
4090.0000 -229.84246 -223.50311 6.33935 2.24923 -222.94485 586.07314
4095.0000 -230.96617 -223.27324 7.69293 2.24318 -223.06717 601.96244
4100.0000 -229.85233 -222.51256 7.33977 2.26874 -222.55004 607.42540
4105.0000 -227.75833 -220.57673 7.18160 2.29661 -221.98611 599.88663
4110.0000 -228.40410 -221.51737 6.88673 2.33822 -221.14443 617.84614
4115.0000 -227.80316 -220.92660 6.87656 2.30807 -221.75443 584.22920
4120.0000 -228.22597 -220.12719 8.09878 2.37779 -220.34383 641.63143
4125.0000 -226.20207 -218.34001 7.86206 2.44500 -218.98407 682.71254
4130.0000 -227.20482 -220.27391 6.93090 2.45916 -218.69748 666.78003
4135.0000 -227.32169 -220.93492 6.38677 2.33693 -221.17038 598.10452
4140.0000 -227.51202 -219.91386 7.59816 2.36773 -220.54726 632.45643
4145.0000 -228.42377 -220.80947 7.61431 2.36256 -220.65191 644.96445
4150.0000 -228.26485 -220.11196 8.15290 2.38960 -220.10482 655.04676
4155.0000 -227.72598 -220.05924 7.66675 2.43953 -219.09466 684.23364
4160.0000 -226.08957 -217.67026 8.41931 2.44453 -218.99363 669.64749
4165.0000 -227.11033 -219.80186 7.30847 2.45744 -218.73227 678.13380
4170.0000 -226.96308 -217.62441 9.33867 2.49579 -217.95650 731.41930
4175.0000 -226.77368 -219.65371 7.11997 2.48497 -218.17545 692.88274
4180.0000 -227.32769 -219.22979 8.09790 2.39868 -219.92122 650.40880
4185.0000 -227.42154 -221.05902 6.36251 2.40469 -219.79964 642.32049
4190.0000 -226.91046 -219.56925 7.34122 2.38500 -220.19787 644.02349
4195.0000 -227.38583 -218.09128 9.29455 2.44770 -218.92933 683.66945
4200.0000 -226.17497 -217.81443 8.36054 2.47895 -218.29716 727.01527
4205.0000 -226.83715 -217.71283 9.12432 2.50042 -217.86277 708.12335
4210.0000 -228.05325 -220.72814 7.32511 2.42243 -219.44068 699.18637
4215.0000 -227.26312 -220.73157 6.53155 2.35296 -220.84604 623.56053
4220.0000 -227.52037 -219.91769 7.60268 2.36566 -220.58922 628.33670
4225.0000 -228.99379 -221.97169 7.02210 2.36470 -220.60862 622.47851
4230.0000 -228.71400 -221.15921 7.55479 2.34248 -221.05821 617.60950
4235.0000 -227.99616 -220.21362 7.78254 2.36273 -220.64854 628.31924
4240.0000 -227.39135 -219.38499 8.00636 2.40362 -219.82112 647.43900
4245.0000 -226.82238 -219.97104 6.85135 2.39325 -220.03098 685.06936
4250.0000 -230.32393 -222.05557 8.26836 2.35662 -220.77205 631.46717
FREEZING PROCESS: loop number 18 T-loop= 615.00000000000000
main_MD> interactions number 18 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05078 0.94965 -0.90029
force_rgl> df(natom) 1.10999 -0.32673 -4.39369
4255.0000 -228.10427 -220.28238 7.82189 2.32888 -221.33332 625.53295
4260.0000 -228.28707 -220.58381 7.70327 2.36890 -220.52366 647.65934
4265.0000 -227.57943 -220.73768 6.84175 2.40287 -219.83639 656.54807
4270.0000 -227.73528 -220.40752 7.32776 2.35250 -220.85550 624.86336
4275.0000 -228.01534 -220.05939 7.95595 2.38629 -220.17177 642.53276
4280.0000 -228.99879 -221.69393 7.30486 2.33051 -221.30038 622.88989
4285.0000 -229.31146 -222.13056 7.18090 2.30339 -221.84906 614.70890
4290.0000 -228.66327 -220.85535 7.80792 2.31169 -221.68114 599.39797
4295.0000 -229.85167 -222.02872 7.82295 2.31842 -221.54496 593.11600
4300.0000 -229.51898 -222.30454 7.21444 2.27593 -222.40459 597.21275
4305.0000 -229.59465 -222.55364 7.04101 2.24573 -223.01559 547.42277
4310.0000 -228.31887 -221.23377 7.08510 2.29975 -221.92258 605.62767
4315.0000 -229.87163 -222.27498 7.59664 2.29774 -221.96329 597.14419
4320.0000 -228.79642 -222.27211 6.52430 2.29113 -222.09709 572.51476
4325.0000 -228.64339 -222.33228 6.31111 2.27655 -222.39195 591.52521
4330.0000 -228.94259 -222.45925 6.48334 2.27612 -222.40068 576.88119
4335.0000 -227.98562 -221.34168 6.64394 2.31431 -221.62805 618.73815
4340.0000 -228.67256 -221.75975 6.91281 2.30345 -221.84776 582.02243
4345.0000 -227.68842 -219.97146 7.71696 2.32069 -221.49898 602.95693
4350.0000 -228.09089 -221.18159 6.90930 2.32946 -221.32167 616.65747
4355.0000 -228.19995 -221.29193 6.90802 2.29527 -222.01336 607.02715
4360.0000 -229.19027 -222.44115 6.74912 2.28630 -222.19481 614.99100
4365.0000 -229.23930 -222.27381 6.96548 2.32218 -221.46887 622.20380
4370.0000 -230.12135 -223.04500 7.07636 2.28924 -222.13524 603.31190
4375.0000 -227.87645 -219.37573 8.50072 2.35332 -220.83884 660.82461
4380.0000 -228.59115 -220.97955 7.61160 2.39644 -219.96647 664.78657
4385.0000 -227.78770 -221.77602 6.01168 2.31626 -221.58866 590.79315
4390.0000 -228.89830 -221.48824 7.41006 2.30455 -221.82548 590.73133
4395.0000 -228.46537 -221.20685 7.25852 2.34022 -221.10381 624.32712
4400.0000 -229.51472 -222.80292 6.71179 2.28049 -222.31228 604.26081
4405.0000 -227.52707 -221.19666 6.33040 2.28986 -222.12280 604.81776
4410.0000 -226.57329 -219.83507 6.73822 2.35426 -220.81989 623.88680
4415.0000 -227.73356 -219.55302 8.18054 2.40087 -219.87694 633.12446
4420.0000 -228.08740 -219.68253 8.40487 2.42631 -219.36214 676.27839
4425.0000 -226.73268 -220.13269 6.59999 2.40276 -219.83857 651.36869
4430.0000 -227.26053 -220.12161 7.13892 2.37156 -220.46988 625.52562
4435.0000 -228.54611 -221.08033 7.46578 2.37760 -220.34766 636.64177
4440.0000 -230.10287 -222.83644 7.26643 2.26733 -222.57855 585.05408
4445.0000 -229.66609 -222.40134 7.26476 2.27090 -222.50627 596.04421
4450.0000 -228.05601 -220.72224 7.33377 2.31753 -221.56290 618.38999
4455.0000 -230.35624 -222.35475 8.00149 2.32788 -221.35350 642.88132
4460.0000 -230.21286 -224.41927 5.79359 2.21844 -223.56778 567.13185
4465.0000 -229.80409 -223.40516 6.39893 2.18249 -224.29508 540.78338
4470.0000 -229.29432 -222.34972 6.94459 2.26420 -222.64186 589.41220
4475.0000 -228.43021 -221.49236 6.93785 2.32917 -221.32736 627.97016
4480.0000 -227.59723 -220.91473 6.68250 2.35836 -220.73698 635.81037
4485.0000 -227.87345 -221.11203 6.76142 2.33711 -221.16674 603.35938
4490.0000 -228.03135 -220.01211 8.01924 2.35685 -220.76740 610.89281
4495.0000 -229.18646 -221.39045 7.79601 2.37531 -220.39398 638.21138
4500.0000 -228.72416 -221.39531 7.32885 2.32532 -221.40539 599.20549
FREEZING PROCESS: loop number 19 T-loop= 590.00000000000000
main_MD> interactions number 19 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.80091 3.91415 0.50701
force_rgl> df(natom) -1.58761 -5.43865 3.40655
4505.0000 -228.82500 -222.03210 6.79289 2.32945 -221.32187 587.77899
4510.0000 -228.38492 -220.46219 7.92273 2.33322 -221.24556 608.41540
4515.0000 -228.12761 -220.58034 7.54727 2.36902 -220.52118 638.68514
4520.0000 -228.63184 -221.22073 7.41112 2.33958 -221.11684 607.81563
4525.0000 -228.43706 -221.15942 7.27765 2.33807 -221.14738 626.86021
4530.0000 -229.01928 -223.09063 5.92865 2.26952 -222.53416 589.72456
4535.0000 -230.88025 -223.02981 7.85043 2.22551 -223.42467 574.05483
4540.0000 -229.87344 -222.97590 6.89754 2.27720 -222.37885 612.95927
4545.0000 -228.89525 -222.52137 6.37388 2.24414 -223.04766 563.02917
4550.0000 -229.71811 -224.34035 5.37776 2.23872 -223.15743 542.33991
4555.0000 -228.74188 -221.21675 7.52512 2.30512 -221.81407 592.32810
4560.0000 -227.12321 -219.81394 7.30927 2.37212 -220.45861 628.20843
4565.0000 -228.14362 -221.51156 6.63206 2.34894 -220.92751 604.56642
4570.0000 -228.33778 -221.63326 6.70451 2.34371 -221.03332 613.03066
4575.0000 -229.58111 -222.61163 6.96948 2.29953 -221.92720 578.51044
4580.0000 -229.41236 -221.95829 7.45407 2.28157 -222.29047 586.35689
4585.0000 -228.44428 -220.89967 7.54461 2.30322 -221.85243 601.83591
4590.0000 -229.66989 -223.29943 6.37047 2.29036 -222.11258 587.03829
4595.0000 -230.35006 -222.92668 7.42337 2.25694 -222.78886 575.43064
4600.0000 -228.88339 -222.77736 6.10603 2.26325 -222.66113 572.70157
4605.0000 -228.59762 -221.91774 6.67988 2.25521 -222.82377 550.63969
4610.0000 -230.11982 -221.92314 8.19668 2.33201 -221.27008 619.92550
4615.0000 -229.43720 -221.82431 7.61289 2.28024 -222.31745 598.58698
4620.0000 -230.09966 -223.42444 6.67522 2.29741 -221.96996 580.93961
4625.0000 -230.57766 -223.66806 6.90960 2.21017 -223.73503 564.73222
4630.0000 -228.63704 -222.33554 6.30150 2.24750 -222.97972 589.76023
4635.0000 -229.55536 -222.79804 6.75731 2.29736 -221.97103 622.64405
4640.0000 -229.45948 -223.71023 5.74924 2.24611 -223.00781 574.56621
4645.0000 -229.73601 -223.08526 6.65076 2.23907 -223.15039 593.18725
4650.0000 -230.62669 -223.09575 7.53094 2.26145 -222.69763 627.08155
4655.0000 -230.24775 -223.07053 7.17721 2.27752 -222.37251 595.49935
4660.0000 -230.32368 -223.30312 7.02056 2.26334 -222.65928 586.40206
4665.0000 -228.90727 -222.30752 6.59975 2.28719 -222.17674 581.30995
4670.0000 -228.08895 -221.11956 6.96939 2.35773 -220.74959 619.47674
4675.0000 -227.87505 -220.09159 7.78345 2.36643 -220.57364 630.15882
4680.0000 -228.84546 -221.38814 7.45732 2.35131 -220.87952 615.24917
4685.0000 -228.20194 -220.78211 7.41982 2.33190 -221.27225 596.16844
4690.0000 -228.59052 -221.80871 6.78181 2.37274 -220.44601 641.41719
4695.0000 -228.35962 -222.16010 6.19952 2.30891 -221.73743 593.41960
4700.0000 -228.98582 -221.75247 7.23335 2.29737 -221.97076 580.63267
4705.0000 -227.39134 -221.34987 6.04148 2.33749 -221.15905 616.03542
4710.0000 -229.46927 -222.20259 7.26667 2.30981 -221.71916 574.04567
4715.0000 -229.79316 -222.73681 7.05635 2.25801 -222.76711 574.31025
4720.0000 -228.88404 -222.47452 6.40953 2.27105 -222.50322 569.85283
4725.0000 -228.27621 -221.46024 6.81597 2.30088 -221.89987 580.95897
4730.0000 -229.17302 -222.13732 7.03570 2.33045 -221.30157 607.82218
4735.0000 -229.04299 -221.29411 7.74889 2.27152 -222.49385 585.27417
4740.0000 -228.53173 -222.29313 6.23860 2.30984 -221.71852 622.44398
4745.0000 -230.66823 -222.91149 7.75673 2.28397 -222.24196 614.87392
4750.0000 -230.63852 -222.85608 7.78244 2.26492 -222.62727 617.45028
FREEZING PROCESS: loop number 20 T-loop= 565.00000000000000
main_MD> interactions number 20 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.02571 -2.45206 0.22675
force_rgl> df(natom) 3.49584 1.48987 -1.60251
4755.0000 -229.66493 -223.38609 6.27884 2.23506 -223.23136 580.11686
4760.0000 -229.27583 -223.29859 5.97724 2.27170 -222.49013 604.68051
4765.0000 -229.47086 -221.64862 7.82224 2.24870 -222.95555 569.74017
4770.0000 -229.83732 -221.83747 7.99985 2.30953 -221.72480 610.03746
4775.0000 -229.53308 -223.20841 6.32467 2.30777 -221.76040 611.65159
4780.0000 -228.95456 -222.19874 6.75582 2.26198 -222.68689 585.94999
4785.0000 -229.08591 -222.96719 6.11873 2.25237 -222.88121 578.44784
4790.0000 -230.24723 -223.53726 6.70997 2.23113 -223.31086 552.97377
4795.0000 -229.55181 -223.25933 6.29248 2.23669 -223.19847 567.34872
4800.0000 -230.89156 -224.50030 6.39126 2.17934 -224.35874 525.10423
4805.0000 -230.10360 -223.66838 6.43521 2.19380 -224.06619 535.14324
4810.0000 -229.33837 -222.97756 6.36081 2.24098 -223.11158 572.51345
4815.0000 -230.50847 -223.58449 6.92398 2.26197 -222.68691 568.66524
4820.0000 -229.17927 -223.10481 6.07446 2.23344 -223.26413 560.89374
4825.0000 -227.99377 -221.45241 6.54136 2.28534 -222.21422 596.23073
4830.0000 -228.74455 -221.64382 7.10073 2.32185 -221.47547 604.82227
4835.0000 -228.64520 -222.51206 6.13314 2.28110 -222.29989 586.13684
4840.0000 -228.14676 -222.00403 6.14273 2.29441 -222.03063 583.26707
4845.0000 -228.82456 -221.93692 6.88764 2.28660 -222.18879 557.51356
4850.0000 -229.73069 -222.13769 7.59300 2.31545 -221.60509 596.77545
4855.0000 -228.50509 -222.05800 6.44709 2.30978 -221.71972 607.76169
4860.0000 -230.42556 -224.22372 6.20184 2.23075 -223.31865 558.88122
4865.0000 -230.07516 -223.54764 6.52752 2.20394 -223.86099 534.12825
4870.0000 -230.39599 -223.43621 6.95978 2.24737 -222.98242 559.31885
4875.0000 -231.19448 -223.54070 7.65378 2.23548 -223.22297 560.86735
4880.0000 -229.99925 -224.25984 5.73940 2.21734 -223.59000 555.75011
4885.0000 -229.69507 -224.15803 5.53703 2.20115 -223.91745 523.85031
4890.0000 -229.79992 -223.93410 5.86582 2.18250 -224.29474 511.67004
4895.0000 -229.91679 -222.69552 7.22127 2.25488 -222.83050 562.99287
4900.0000 -230.04293 -223.74929 6.29364 2.27269 -222.47010 572.24653
4905.0000 -229.23020 -222.78383 6.44637 2.23762 -223.17963 548.28055
4910.0000 -230.87657 -222.77161 8.10495 2.21086 -223.72113 541.97344
4915.0000 -229.92800 -223.57316 6.35484 2.21347 -223.66821 546.79581
4920.0000 -229.39575 -223.05709 6.33866 2.22484 -223.43824 536.28226
4925.0000 -229.55552 -223.12440 6.43112 2.24174 -223.09631 552.89042
4930.0000 -228.65537 -221.68226 6.97311 2.25786 -222.77018 563.69711
4935.0000 -229.42505 -222.59788 6.82717 2.28048 -222.31249 580.57996
4940.0000 -229.23796 -222.13128 7.10668 2.26239 -222.67843 579.23600
4945.0000 -229.59177 -222.78133 6.81044 2.24439 -223.04265 575.80700
4950.0000 -229.65319 -222.97093 6.68226 2.23064 -223.32095 570.35636
4955.0000 -229.39083 -223.07346 6.31737 2.24052 -223.12097 541.30075
4960.0000 -229.06764 -223.04612 6.02152 2.24270 -223.07695 531.00424
4965.0000 -229.55871 -223.56318 5.99553 2.24785 -222.97277 576.79837
4970.0000 -231.89288 -224.47570 7.41717 2.18671 -224.20964 558.46861
4975.0000 -231.01233 -224.79074 6.22160 2.16236 -224.70229 549.07399
4980.0000 -230.44556 -223.65226 6.79330 2.20281 -223.88381 564.31635
4985.0000 -230.71150 -224.11504 6.59645 2.18658 -224.21222 552.48163
4990.0000 -229.46080 -222.84504 6.61576 2.20789 -223.78108 561.13559
4995.0000 -229.40172 -223.08104 6.32068 2.26170 -222.69248 576.96034
5000.0000 -229.92570 -223.08978 6.83591 2.25587 -222.81033 566.43328
FREEZING PROCESS: loop number 21 T-loop= 540.00000000000000
main_MD> interactions number 21 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.38707 -2.27715 0.90913
force_rgl> df(natom) -0.12371 -1.00162 0.07991
5005.0000 -229.21604 -221.79929 7.41675 2.29028 -222.11415 585.52846
5010.0000 -229.71016 -223.36358 6.34659 2.28855 -222.14922 583.83044
5015.0000 -230.60967 -224.04769 6.56198 2.19951 -223.95060 531.54208
5020.0000 -230.37129 -224.18992 6.18137 2.18044 -224.33644 515.72671
5025.0000 -230.99971 -223.55866 7.44105 2.19411 -224.05983 535.45797
5030.0000 -230.62600 -225.03098 5.59502 2.16179 -224.71370 520.26186
5035.0000 -229.88615 -223.77303 6.11312 2.17573 -224.43181 526.57625
5040.0000 -228.87668 -222.63181 6.24487 2.22399 -223.45536 547.71643
5045.0000 -230.05824 -223.67251 6.38573 2.23233 -223.28665 544.88314
5050.0000 -229.26607 -223.31277 5.95330 2.19953 -223.95017 524.53497
5055.0000 -230.33396 -224.63506 5.69890 2.20939 -223.75083 524.43435
5060.0000 -230.78894 -223.54327 7.24566 2.17174 -224.51256 530.63904
5065.0000 -231.23512 -224.46260 6.77253 2.20646 -223.80996 570.76921
5070.0000 -230.40475 -223.97694 6.42781 2.17153 -224.51680 534.70304
5075.0000 -231.50614 -225.20539 6.30075 2.17148 -224.51772 533.94436
5080.0000 -230.81487 -224.27251 6.54236 2.16443 -224.66041 523.35190
5085.0000 -231.03399 -224.50156 6.53243 2.16508 -224.64723 527.43013
5090.0000 -228.43974 -222.29384 6.14590 2.24093 -223.11264 558.40958
5095.0000 -230.18025 -223.15546 7.02480 2.24924 -222.94449 551.21541
5100.0000 -229.10139 -222.42125 6.68014 2.22006 -223.53495 526.49563
5105.0000 -229.91569 -223.63955 6.27614 2.25278 -222.87295 558.57944
5110.0000 -230.31485 -223.64245 6.67241 2.18949 -224.15338 542.03177
5115.0000 -230.95285 -224.06539 6.88746 2.20090 -223.92247 550.95904
5120.0000 -230.59354 -224.55255 6.04099 2.17694 -224.40721 537.45796
5125.0000 -229.26377 -223.83454 5.42923 2.17955 -224.35455 517.04497
5130.0000 -230.05753 -222.79260 7.26493 2.23686 -223.19505 540.25982
5135.0000 -228.92601 -222.51288 6.41313 2.25965 -222.73403 565.84478
5140.0000 -230.34077 -223.74364 6.59713 2.22554 -223.42412 538.22852
5145.0000 -228.61185 -222.31609 6.29575 2.23106 -223.31232 536.08256
5150.0000 -230.09778 -223.49019 6.60759 2.24393 -223.05207 556.22320
5155.0000 -229.93353 -223.53159 6.40194 2.23143 -223.30489 560.43384
5160.0000 -228.58295 -222.42559 6.15736 2.22322 -223.47104 547.69995
5165.0000 -229.87338 -222.50041 7.37297 2.26077 -222.71126 575.29629
5170.0000 -231.18644 -224.33828 6.84816 2.24215 -223.08804 579.73716
5175.0000 -229.94624 -224.33514 5.61111 2.15773 -224.79602 538.20981
5180.0000 -230.84749 -224.67321 6.17428 2.16277 -224.69403 508.22510
5185.0000 -230.16528 -223.14213 7.02315 2.19918 -223.95742 542.20387
5190.0000 -230.27362 -223.48105 6.79257 2.26404 -222.64507 590.57750
5195.0000 -231.28086 -224.01684 7.26402 2.20075 -223.92560 580.02404
5200.0000 -231.98463 -225.24458 6.74005 2.18458 -224.25271 578.48281
5205.0000 -230.93412 -224.15539 6.77874 2.15572 -224.83663 569.57510
5210.0000 -233.01217 -225.73605 7.27612 2.16350 -224.67928 566.48571
5215.0000 -231.86265 -225.55597 6.30668 2.14017 -225.15124 558.69953
5220.0000 -231.88464 -226.12478 5.75986 2.10643 -225.83384 532.87312
5225.0000 -232.41004 -227.51837 4.89166 2.07821 -226.40473 521.70187
5230.0000 -232.17967 -226.54783 5.63184 2.06354 -226.70150 503.82865
5235.0000 -232.68753 -227.23862 5.44891 2.05016 -226.97222 501.49880
5240.0000 -232.67901 -226.46748 6.21154 2.07036 -226.56353 513.33761
5245.0000 -230.71495 -224.24355 6.47140 2.16841 -224.57995 577.43260
5250.0000 -231.31677 -224.80355 6.51322 2.17270 -224.49316 578.71926
FREEZING PROCESS: loop number 22 T-loop= 515.00000000000000
main_MD> interactions number 22 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04800 -3.61145 -3.68121
force_rgl> df(natom) 3.76974 2.88905 2.82945
5255.0000 -233.00783 -226.28974 6.71809 2.10301 -225.90293 532.93892
5260.0000 -231.63157 -225.74582 5.88574 2.08907 -226.18496 522.24200
5265.0000 -231.74189 -225.25283 6.48906 2.11750 -225.60990 536.25258
5270.0000 -232.72211 -226.92535 5.79676 2.08490 -226.26937 513.56048
5275.0000 -232.53636 -226.23327 6.30310 2.06886 -226.59384 491.88617
5280.0000 -230.43621 -224.00698 6.42923 2.12657 -225.42637 519.02002
5285.0000 -230.73528 -225.40370 5.33158 2.15382 -224.87513 537.29974
5290.0000 -230.82673 -225.50970 5.31703 2.12393 -225.47979 504.37930
5295.0000 -231.49358 -225.06952 6.42406 2.12395 -225.47932 495.40298
5300.0000 -232.07630 -225.08256 6.99374 2.14696 -225.01378 509.76004
5305.0000 -230.77768 -225.39075 5.38694 2.15421 -224.86721 525.98201
5310.0000 -231.01686 -225.51724 5.49962 2.11984 -225.56253 471.10429
5315.0000 -230.08822 -223.93287 6.15535 2.13171 -225.32227 468.65938
5320.0000 -230.17605 -224.42562 5.75042 2.15480 -224.85521 485.08999
5325.0000 -229.92789 -224.05870 5.86919 2.17051 -224.53747 489.85720
5330.0000 -230.45017 -224.76449 5.68567 2.19712 -223.99892 519.15775
5335.0000 -231.47574 -225.53067 5.94507 2.17889 -224.36785 528.44192
5340.0000 -231.66025 -226.24560 5.41464 2.10724 -225.81742 490.47067
5345.0000 -232.10393 -226.76520 5.33873 2.08720 -226.22284 488.02245
5350.0000 -231.62324 -224.63522 6.98803 2.11697 -225.62048 489.01470
5355.0000 -230.74411 -224.10427 6.63984 2.14635 -225.02610 522.14975
5360.0000 -231.14517 -225.47560 5.66957 2.14846 -224.98356 532.67533
5365.0000 -231.19831 -225.87384 5.32447 2.10603 -225.84196 500.67290
5370.0000 -232.43669 -225.51802 6.91866 2.11721 -225.61579 511.80463
5375.0000 -231.71871 -225.86179 5.85692 2.09270 -226.11152 489.92650
5380.0000 -231.92431 -226.17635 5.74796 2.09320 -226.10140 483.92585
5385.0000 -232.73385 -226.16633 6.56753 2.09279 -226.10976 482.89185
5390.0000 -231.71709 -226.05352 5.66357 2.08567 -226.25383 492.79467
5395.0000 -231.16022 -225.00475 6.15547 2.12147 -225.52945 487.94378
5400.0000 -230.81857 -223.98558 6.83299 2.17364 -224.47408 525.67503
5405.0000 -231.20158 -225.82094 5.38063 2.13601 -225.23546 485.94938
5410.0000 -230.81104 -224.65078 6.16026 2.15225 -224.90684 500.87008
5415.0000 -230.72496 -225.08618 5.63879 2.15562 -224.83864 500.41327
5420.0000 -230.22517 -224.08955 6.13563 2.18907 -224.16184 518.61584
5425.0000 -230.69341 -224.80224 5.89117 2.17832 -224.37931 505.16449
5430.0000 -229.65688 -224.47709 5.17979 2.14029 -225.14871 478.31561
5435.0000 -230.90790 -225.63274 5.27515 2.14911 -224.97028 506.43412
5440.0000 -231.90862 -225.89289 6.01573 2.11301 -225.70060 492.60099
5445.0000 -231.22044 -225.60684 5.61360 2.10195 -225.92449 481.74347
5450.0000 -230.29864 -224.75559 5.54305 2.15743 -224.80205 502.79001
5455.0000 -230.73308 -224.62641 6.10667 2.17333 -224.48038 510.41422
5460.0000 -230.05938 -224.47431 5.58507 2.15493 -224.85258 504.92616
5465.0000 -230.16785 -223.95939 6.20847 2.18228 -224.29920 526.46544
5470.0000 -231.09978 -224.36870 6.73107 2.17224 -224.50232 514.12631
5475.0000 -230.69378 -225.34127 5.35251 2.16669 -224.61465 511.81029
5480.0000 -231.01408 -225.40614 5.60794 2.13889 -225.17717 482.24779
5485.0000 -231.20410 -225.60804 5.59607 2.11473 -225.66580 477.19497
5490.0000 -230.31354 -224.08858 6.22497 2.15797 -224.79107 514.84063
5495.0000 -231.69294 -225.61654 6.07640 2.14820 -224.98881 515.35177
5500.0000 -232.45163 -227.18396 5.26767 2.08388 -226.28998 484.14320
FREEZING PROCESS: loop number 23 T-loop= 490.00000000000000
main_MD> interactions number 23 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23000 1.13711 1.14265
force_rgl> df(natom) -1.29893 2.94127 -1.23908
5505.0000 -230.29034 -224.59134 5.69900 2.07931 -226.38239 491.66925
5510.0000 -231.28376 -224.82302 6.46073 2.13464 -225.26311 520.30399
5515.0000 -231.77391 -226.65067 5.12324 2.11698 -225.62028 485.39141
5520.0000 -230.49292 -225.55389 4.93902 2.09493 -226.06654 462.50268
5525.0000 -231.89752 -226.12094 5.77657 2.10811 -225.79974 485.83880
5530.0000 -231.58205 -226.13841 5.44364 2.08377 -226.29217 478.17523
5535.0000 -231.61878 -226.16979 5.44898 2.08005 -226.36751 468.60000
5540.0000 -230.04395 -224.67717 5.36678 2.12379 -225.48263 509.82800
5545.0000 -230.80922 -224.93261 5.87661 2.17578 -224.43078 532.69759
5550.0000 -230.62342 -224.79001 5.83341 2.12320 -225.49449 487.09615
5555.0000 -231.99858 -226.30385 5.69474 2.14037 -225.14712 510.01342
5560.0000 -231.62645 -224.84833 6.77812 2.10575 -225.84757 507.32412
5565.0000 -230.76055 -225.88784 4.87271 2.14554 -225.04248 531.58992
5570.0000 -231.78631 -226.69881 5.08750 2.09853 -225.99359 501.49918
5575.0000 -232.83225 -227.28354 5.54871 2.06069 -226.75919 475.35630
5580.0000 -231.99323 -225.86800 6.12523 2.09262 -226.11314 494.91265
5585.0000 -232.49694 -225.85317 6.64377 2.11129 -225.73556 505.65570
5590.0000 -232.78024 -226.74221 6.03803 2.07534 -226.46281 475.38370
5595.0000 -232.88130 -227.40431 5.47700 2.03355 -227.30828 457.49411
5600.0000 -231.81088 -225.61756 6.19332 2.06495 -226.67309 484.88473
5605.0000 -230.92104 -225.50118 5.41985 2.10221 -225.91921 501.54760
5610.0000 -232.15024 -226.82932 5.32093 2.10781 -225.80592 494.10473
5615.0000 -232.93792 -226.55150 6.38642 2.08945 -226.17739 492.35342
5620.0000 -233.10260 -227.89547 5.20713 2.02164 -227.54926 451.02791
5625.0000 -232.74459 -226.94738 5.79721 2.03233 -227.33304 455.51689
5630.0000 -232.48685 -226.10129 6.38556 2.06251 -226.72244 482.00157
5635.0000 -231.95172 -226.32907 5.62266 2.09372 -226.09102 508.99757
5640.0000 -231.16144 -224.88712 6.27432 2.09134 -226.13908 499.53831
5645.0000 -231.96622 -224.71081 7.25541 2.16262 -224.69705 575.54404
5650.0000 -231.69124 -225.84442 5.84681 2.10452 -225.87245 527.07376
5655.0000 -231.54362 -225.80646 5.73716 2.08741 -226.21861 510.78564
5660.0000 -231.45964 -226.41174 5.04790 2.09640 -226.03672 505.32987
5665.0000 -231.76562 -225.28642 6.47921 2.11544 -225.65157 512.35974
5670.0000 -232.75194 -226.91251 5.83943 2.12748 -225.40789 532.72061
5675.0000 -232.09444 -227.02881 5.06564 2.04107 -227.15613 460.74523
5680.0000 -231.68195 -225.81092 5.87103 2.07033 -226.56417 495.61820
5685.0000 -232.34734 -226.97878 5.36856 2.09159 -226.13410 512.64968
5690.0000 -232.93358 -227.00183 5.93175 2.06947 -226.58159 489.37603
5695.0000 -232.45910 -226.56527 5.89383 2.04018 -227.17418 488.34244
5700.0000 -232.38570 -226.98939 5.39631 2.04626 -227.05104 495.61349
5705.0000 -231.67249 -225.68401 5.98848 2.07372 -226.49561 507.58300
5710.0000 -232.25759 -226.49218 5.76541 2.10980 -225.76568 533.38255
5715.0000 -233.06568 -227.73882 5.32687 2.04234 -227.13040 464.62316
5720.0000 -232.80541 -226.92382 5.88159 2.04025 -227.17263 478.49409
5725.0000 -232.19115 -226.84323 5.34792 2.04299 -227.11737 483.08851
5730.0000 -233.54481 -227.68508 5.85973 2.02741 -227.43250 475.69363
5735.0000 -233.40557 -228.39988 5.00569 2.00117 -227.96334 447.03612
5740.0000 -233.14044 -227.25388 5.88656 1.99484 -228.09144 444.47648
5745.0000 -232.91815 -227.17984 5.73830 2.05806 -226.81239 492.18206
5750.0000 -232.81274 -226.90506 5.90768 2.04379 -227.10107 477.37433
FREEZING PROCESS: loop number 24 T-loop= 465.00000000000000
main_MD> interactions number 24 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85690 1.26385 0.46551
force_rgl> df(natom) 2.54081 -3.37429 0.46027
5755.0000 -232.79896 -226.71493 6.08403 2.06989 -226.57305 489.71187
5760.0000 -232.79387 -226.50314 6.29073 2.05055 -226.96443 486.22875
5765.0000 -232.34002 -227.61886 4.72116 2.05744 -226.82505 493.57317
5770.0000 -233.13144 -227.65833 5.47312 2.01207 -227.74292 460.26764
5775.0000 -232.89851 -227.11778 5.78073 2.04125 -227.15255 476.62776
5780.0000 -233.53345 -227.57054 5.96291 2.01987 -227.58507 442.66209
5785.0000 -231.86442 -226.86154 5.00288 2.03559 -227.26706 459.24637
5790.0000 -232.99604 -227.96754 5.02850 2.04039 -227.16987 463.54754
5795.0000 -232.30605 -227.20404 5.10201 2.00529 -227.87993 443.89443
5800.0000 -232.25800 -226.97026 5.28775 2.05845 -226.80455 484.00170
5805.0000 -233.24594 -228.09233 5.15362 2.02446 -227.49217 463.94652
5810.0000 -233.59835 -227.88259 5.71576 2.01979 -227.58658 462.76465
5815.0000 -232.90063 -226.80286 6.09777 2.02077 -227.56689 469.74208
5820.0000 -232.49015 -227.11300 5.37715 2.03214 -227.33689 469.83184
5825.0000 -232.23536 -227.15926 5.07611 2.02961 -227.38796 467.77301
5830.0000 -232.60780 -227.20714 5.40066 2.02989 -227.38229 461.85954
5835.0000 -230.51151 -225.66650 4.84501 2.08659 -226.23527 508.07979
5840.0000 -231.46635 -226.33963 5.12672 2.10429 -225.87706 493.16162
5845.0000 -231.93214 -226.00251 5.92963 2.08135 -226.34118 469.38876
5850.0000 -231.45354 -226.32745 5.12609 2.09815 -226.00133 479.33125
5855.0000 -232.69272 -226.91242 5.78030 2.05516 -226.87111 458.96369
5860.0000 -231.18985 -226.13761 5.05225 2.07072 -226.55619 464.17924
5865.0000 -232.68241 -226.80332 5.87909 2.08059 -226.35650 481.26244
5870.0000 -232.01845 -225.70737 6.31108 2.07727 -226.42367 487.09987
5875.0000 -231.02149 -225.88290 5.13859 2.08668 -226.23344 482.63439
5880.0000 -232.41282 -226.19779 6.21503 2.09988 -225.96640 500.01973
5885.0000 -231.93549 -227.00969 4.92580 2.08110 -226.34628 480.55353
5890.0000 -231.50854 -226.99703 4.51151 2.03273 -227.32494 465.44908
5895.0000 -232.55130 -227.18051 5.37079 2.03345 -227.31031 468.18095
5900.0000 -232.83975 -227.70743 5.13232 2.01418 -227.70023 443.15536
5905.0000 -233.22286 -227.34851 5.87435 2.02131 -227.55592 447.20575
5910.0000 -233.31056 -228.08847 5.22209 1.98848 -228.22005 423.73911
5915.0000 -232.54750 -226.66532 5.88218 2.02206 -227.54068 454.65468
5920.0000 -232.55098 -226.90402 5.64696 2.07116 -226.54729 481.48717
5925.0000 -232.60748 -226.63075 5.97673 2.05862 -226.80110 472.26180
5930.0000 -233.30995 -227.98318 5.32677 2.03998 -227.17820 465.04107
5935.0000 -232.86442 -226.71570 6.14872 2.01909 -227.60087 460.05430
5940.0000 -233.98781 -227.97072 6.01709 2.02570 -227.46718 472.66424
5945.0000 -232.81895 -227.65754 5.16141 2.01401 -227.70365 471.80424
5950.0000 -233.39951 -227.06945 6.33006 2.04110 -227.15561 476.10346
5955.0000 -231.85902 -226.36392 5.49510 2.04130 -227.15141 485.45401
5960.0000 -231.77514 -225.93769 5.83745 2.09982 -225.96760 524.59478
5965.0000 -233.65640 -228.32212 5.33428 2.06360 -226.70036 485.43778
5970.0000 -232.88820 -226.81665 6.07155 2.02296 -227.52247 468.48532
5975.0000 -233.20984 -226.29287 6.91697 2.04120 -227.15359 480.55691
5980.0000 -231.95800 -226.86531 5.09269 2.06644 -226.64292 502.29270
5985.0000 -232.34460 -225.78811 6.55649 2.06326 -226.70726 485.51496
5990.0000 -231.62437 -226.15701 5.46736 2.09835 -225.99726 501.66156
5995.0000 -231.60318 -226.15622 5.44696 2.06804 -226.61059 483.78471
6000.0000 -232.30437 -226.65714 5.64722 2.07655 -226.43838 489.95575
FREEZING PROCESS: loop number 25 T-loop= 440.00000000000000
main_MD> interactions number 25 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.85970 3.99619 4.68274
force_rgl> df(natom) 1.08038 -1.31669 0.91450
6005.0000 -233.33329 -227.85633 5.47697 2.04021 -227.17346 484.74937
6010.0000 -233.78934 -227.90056 5.88878 2.00116 -227.96366 455.94203
6015.0000 -233.53473 -228.56306 4.97167 1.99158 -228.15732 450.46942
6020.0000 -234.15125 -229.03703 5.11421 1.97110 -228.57164 437.97351
6025.0000 -233.86155 -229.09685 4.76470 1.95246 -228.94882 418.97126
6030.0000 -234.12999 -228.96198 5.16801 1.96992 -228.59553 430.58972
6035.0000 -234.94653 -229.50268 5.44384 1.93297 -229.34316 404.18920
6040.0000 -233.45844 -228.35828 5.10017 1.95666 -228.86384 420.12755
6045.0000 -233.62632 -228.17587 5.45045 1.97503 -228.49225 437.53850
6050.0000 -233.49821 -227.89728 5.60094 1.99844 -228.01862 446.42013
6055.0000 -232.81721 -227.45059 5.36662 1.99755 -228.03663 453.29049
6060.0000 -233.55594 -228.46367 5.09227 2.01818 -227.61921 466.69440
6065.0000 -232.98739 -227.85142 5.13597 2.00348 -227.91654 457.71045
6070.0000 -232.46426 -226.87707 5.58720 2.01792 -227.62441 467.60169
6075.0000 -234.09614 -228.88589 5.21025 1.99270 -228.13471 447.05016
6080.0000 -233.89232 -229.21473 4.67759 1.97403 -228.51255 437.61903
6085.0000 -234.09921 -228.67466 5.42455 1.95304 -228.93710 415.15923
6090.0000 -233.96519 -227.86708 6.09811 1.98767 -228.23649 436.91995
6095.0000 -231.98647 -227.38593 4.60054 2.00783 -227.82869 460.11738
6100.0000 -232.59753 -227.32142 5.27611 2.04033 -227.17105 473.09210
6105.0000 -233.19519 -227.71501 5.48018 2.04061 -227.16545 453.96576
6110.0000 -233.05083 -228.12568 4.92515 2.00870 -227.81100 436.19999
6115.0000 -232.57013 -227.31173 5.25839 2.03812 -227.21582 465.25838
6120.0000 -233.28266 -228.26002 5.02264 2.01813 -227.62017 455.32242
6125.0000 -233.74944 -227.88704 5.86240 1.98934 -228.20268 439.18861
6130.0000 -232.95838 -227.72083 5.23754 1.99187 -228.15161 435.83426
6135.0000 -233.53392 -228.32445 5.20947 1.96844 -228.62546 417.94861
6140.0000 -233.13497 -228.29020 4.84477 2.00644 -227.85671 442.36897
6145.0000 -233.30607 -227.87855 5.42752 1.99783 -228.03096 438.68915
6150.0000 -232.83217 -228.30399 4.52818 2.00792 -227.82686 446.67356
6155.0000 -233.02609 -228.51324 4.51285 1.97090 -228.57583 415.43323
6160.0000 -233.11129 -228.39839 4.71290 1.99826 -228.02226 445.09073
6165.0000 -233.25276 -227.09757 6.15519 2.01817 -227.61951 477.05694
6170.0000 -232.64675 -227.25880 5.38795 2.04178 -227.14182 482.62742
6175.0000 -233.76005 -228.37798 5.38207 2.02943 -227.39173 461.24124
6180.0000 -233.55593 -228.77078 4.78515 1.97027 -228.58859 440.04538
6185.0000 -234.00399 -229.08070 4.92329 1.96798 -228.63491 434.24372
6190.0000 -233.41478 -228.77002 4.64476 1.90950 -229.81800 379.98119
6195.0000 -233.95658 -228.42554 5.53104 1.99213 -228.14624 447.90333
6200.0000 -233.17425 -228.37746 4.79679 1.97645 -228.46353 431.56828
6205.0000 -232.76140 -227.30749 5.45392 2.03637 -227.25114 466.45334
6210.0000 -233.24213 -228.20257 5.03956 2.01011 -227.78254 444.42907
6215.0000 -232.46433 -228.00178 4.46255 2.00286 -227.92910 440.52365
6220.0000 -233.67497 -228.58036 5.09461 1.97423 -228.50840 418.98263
6225.0000 -232.98643 -227.49670 5.48973 2.01895 -227.60376 454.38516
6230.0000 -232.82775 -227.65833 5.16942 2.01512 -227.68120 444.41495
6235.0000 -232.17592 -227.51358 4.66233 2.03729 -227.23270 453.86029
6240.0000 -232.46785 -228.10959 4.35826 2.00139 -227.95895 423.08587
6245.0000 -232.71004 -227.01060 5.69945 2.04365 -227.10389 456.36610
6250.0000 -232.27572 -226.77721 5.49851 2.05308 -226.91319 460.30321
FREEZING PROCESS: loop number 26 T-loop= 415.00000000000000
main_MD> interactions number 26 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.91365 1.02431 0.52626
force_rgl> df(natom) -3.05677 0.46751 0.96765
6255.0000 -232.95911 -227.20051 5.75860 2.03998 -227.17828 455.22683
6260.0000 -234.15001 -228.47929 5.67072 2.00190 -227.94860 452.72809
6265.0000 -233.48827 -228.87976 4.60851 1.96103 -228.77545 429.54453
6270.0000 -234.89555 -229.43271 5.46285 1.95400 -228.91775 418.71426
6275.0000 -233.79178 -228.96429 4.82749 1.93354 -229.33158 407.54885
6280.0000 -232.80636 -227.43332 5.37304 1.98191 -228.35307 439.53834
6285.0000 -232.97156 -227.76457 5.20699 2.00586 -227.86852 456.95182
6290.0000 -234.42606 -229.67922 4.74684 1.95759 -228.84509 424.42108
6295.0000 -233.54142 -229.38306 4.15836 1.92113 -229.58266 398.02884
6300.0000 -233.97530 -228.87555 5.09975 1.95310 -228.93587 415.99044
6305.0000 -234.30063 -229.39188 4.90875 1.95668 -228.86341 423.57370
6310.0000 -234.73190 -229.28771 5.44418 1.93952 -229.21054 413.78762
6315.0000 -235.07996 -230.70918 4.37078 1.91687 -229.66892 389.37580
6320.0000 -234.68285 -230.11542 4.56743 1.87434 -230.52928 363.31521
6325.0000 -234.45972 -230.15180 4.30792 1.88043 -230.40602 364.13327
6330.0000 -233.87629 -229.42843 4.44786 1.90900 -229.82812 381.85460
6335.0000 -234.11856 -228.58264 5.53592 1.96346 -228.72635 414.78781
6340.0000 -233.37945 -228.18454 5.19491 1.97783 -228.43553 436.67097
6345.0000 -233.66791 -229.44294 4.22497 1.94666 -229.06620 415.44102
6350.0000 -233.92667 -228.90512 5.02154 1.93816 -229.23808 404.86200
6355.0000 -234.15916 -229.54921 4.60995 1.94548 -229.08997 414.04347
6360.0000 -233.48305 -228.39584 5.08720 1.94944 -229.01002 417.41312
6365.0000 -233.62998 -228.64384 4.98614 1.99248 -228.13929 446.04279
6370.0000 -234.18222 -229.66177 4.52045 1.94530 -229.09378 408.99491
6375.0000 -234.01309 -229.25010 4.76299 1.90393 -229.93069 380.34977
6380.0000 -233.24809 -228.49000 4.75809 1.94220 -229.15645 409.74239
6385.0000 -233.97869 -228.76626 5.21243 1.97626 -228.46742 433.30547
6390.0000 -233.80646 -228.98530 4.82117 1.96031 -228.79006 428.73041
6395.0000 -233.96506 -228.88128 5.08378 1.95237 -228.95072 413.39647
6400.0000 -234.55212 -230.38899 4.16313 1.90974 -229.81317 384.22496
6405.0000 -234.35271 -229.80009 4.55263 1.92488 -229.50674 400.07096
6410.0000 -233.47609 -228.47089 5.00521 1.96361 -228.72332 418.63513
6415.0000 -234.54271 -229.36340 5.17931 1.98115 -228.36845 440.80713
6420.0000 -234.56736 -229.30322 5.26414 1.92503 -229.50379 414.00990
6425.0000 -233.62465 -229.09505 4.52959 1.92404 -229.52377 408.15710
6430.0000 -233.25222 -229.22419 4.02803 1.93753 -229.25092 418.50352
6435.0000 -233.97469 -229.71519 4.25951 1.94091 -229.18248 423.20402
6440.0000 -234.88864 -229.98991 4.89873 1.92270 -229.55087 407.89642
6445.0000 -234.17058 -229.56427 4.60631 1.91401 -229.72674 399.51987
6450.0000 -234.48825 -229.57918 4.90907 1.90948 -229.81835 395.68497
6455.0000 -234.40717 -229.58479 4.82239 1.93417 -229.31890 421.62499
6460.0000 -234.20502 -229.66853 4.53650 1.89512 -230.10888 387.94393
6465.0000 -234.09428 -229.82796 4.26632 1.92092 -229.58696 406.54247
6470.0000 -234.12899 -229.40838 4.72061 1.93095 -229.38408 411.18773
6475.0000 -234.53715 -229.84678 4.69036 1.91374 -229.73215 405.17472
6480.0000 -234.93794 -229.96668 4.97127 1.94592 -229.08107 428.19633
6485.0000 -233.88401 -228.77140 5.11261 1.91582 -229.69008 403.07727
6490.0000 -233.91045 -228.20214 5.70831 1.96916 -228.61090 445.48846
6495.0000 -234.37039 -229.41864 4.95175 1.95075 -228.98340 433.43721
6500.0000 -233.97630 -229.33811 4.63819 1.94547 -229.09033 426.47208
FREEZING PROCESS: loop number 27 T-loop= 390.00000000000000
main_MD> interactions number 27 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.82634 -2.10554 2.63079
force_rgl> df(natom) -0.50867 -1.68558 -1.63044
6505.0000 -234.27597 -229.92892 4.34705 1.92602 -229.48378 408.51104
6510.0000 -234.85709 -230.55174 4.30535 1.90875 -229.83310 396.42136
6515.0000 -234.71591 -230.32772 4.38819 1.87537 -230.50844 368.32284
6520.0000 -235.03701 -230.83002 4.20699 1.87583 -230.49918 367.94106
6525.0000 -234.96005 -230.81119 4.14887 1.86512 -230.71582 364.47376
6530.0000 -235.34932 -231.55372 3.79560 1.84722 -231.07811 347.79269
6535.0000 -234.43343 -230.54251 3.89092 1.86032 -230.81303 359.91528
6540.0000 -234.27671 -229.71063 4.56608 1.89892 -230.03212 388.95188
6545.0000 -234.39795 -229.23308 5.16487 1.93148 -229.37340 413.22325
6550.0000 -234.42036 -230.26079 4.15958 1.91212 -229.76508 398.93222
6555.0000 -234.85483 -230.06936 4.78547 1.89231 -230.16587 382.70706
6560.0000 -234.99708 -230.53870 4.45838 1.89272 -230.15754 382.70758
6565.0000 -234.70348 -230.57225 4.13123 1.86255 -230.76786 361.47099
6570.0000 -234.36918 -229.93290 4.43628 1.89019 -230.20866 379.79925
6575.0000 -234.48834 -230.06995 4.41839 1.92821 -229.43945 410.67206
6580.0000 -234.50697 -230.83073 3.67625 1.87704 -230.47478 369.77904
6585.0000 -233.87988 -230.02903 3.85084 1.88971 -230.21837 380.98862
6590.0000 -234.42947 -229.83478 4.59469 1.88870 -230.23883 388.41014
6595.0000 -234.52789 -229.26004 5.26785 1.90679 -229.87280 392.34736
6600.0000 -234.67435 -229.63484 5.03951 1.90572 -229.89456 393.55919
6605.0000 -234.70871 -230.10759 4.60112 1.90513 -229.90637 393.30730
6610.0000 -234.13094 -229.78293 4.34801 1.89622 -230.08658 388.92553
6615.0000 -235.09553 -230.26254 4.83299 1.89539 -230.10352 386.32699
6620.0000 -234.62799 -230.30467 4.32332 1.91700 -229.66616 403.81469
6625.0000 -234.79559 -230.03641 4.75918 1.90792 -229.84998 394.24097
6630.0000 -234.99696 -230.30937 4.68758 1.91080 -229.79169 400.00387
6635.0000 -234.97885 -230.17125 4.80760 1.89880 -230.03443 387.41000
6640.0000 -234.69025 -230.02351 4.66674 1.89032 -230.20601 384.83445
6645.0000 -233.66323 -229.50329 4.15994 1.89741 -230.06269 389.11552
6650.0000 -234.53580 -229.56564 4.97016 1.91501 -229.70644 401.88327
6655.0000 -234.20403 -229.71471 4.48932 1.91268 -229.75371 400.78055
6660.0000 -234.76821 -230.30839 4.45982 1.87217 -230.57328 366.27751
6665.0000 -234.87881 -230.37265 4.50616 1.89136 -230.18497 385.93516
6670.0000 -234.77280 -230.25546 4.51735 1.88572 -230.29915 377.77104
6675.0000 -235.06103 -230.45669 4.60435 1.88346 -230.34480 376.25856
6680.0000 -234.75027 -230.42954 4.32073 1.88486 -230.31650 378.62476
6685.0000 -234.74181 -230.07183 4.66998 1.87731 -230.46934 369.87244
6690.0000 -234.65705 -230.00506 4.65200 1.89135 -230.18516 383.10200
6695.0000 -234.30862 -229.30935 4.99927 1.88844 -230.24403 379.43898
6700.0000 -233.14954 -228.59622 4.55333 1.96782 -228.63806 440.24856
6705.0000 -233.35930 -229.06491 4.29439 1.94779 -229.04330 431.74388
6710.0000 -234.50819 -228.41765 6.09054 1.95140 -228.97033 431.72782
6715.0000 -234.16883 -229.38699 4.78184 1.94265 -229.14733 423.50928
6720.0000 -234.43204 -230.04028 4.39176 1.91179 -229.77171 400.11590
6725.0000 -234.71189 -230.08661 4.62528 1.90358 -229.93786 392.93626
6730.0000 -234.51840 -229.33706 5.18134 1.90087 -229.99250 389.89727
6735.0000 -234.81568 -230.05135 4.76433 1.90991 -229.80969 400.68345
6740.0000 -235.02405 -231.15823 3.86582 1.85468 -230.92706 353.87635
6745.0000 -234.35259 -229.78411 4.56848 1.88376 -230.33884 387.67856
6750.0000 -235.11499 -230.63303 4.48196 1.89457 -230.12000 391.38624
FREEZING PROCESS: loop number 28 T-loop= 365.00000000000000
main_MD> interactions number 28 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32761 0.54950 1.05660
force_rgl> df(natom) 0.27020 -0.48333 1.72923
6755.0000 -235.12557 -230.95887 4.16670 1.86895 -230.63845 363.65133
6760.0000 -235.00821 -230.69223 4.31598 1.85422 -230.93634 352.37369
6765.0000 -234.84482 -230.87269 3.97213 1.87432 -230.52967 372.37012
6770.0000 -234.79831 -230.55436 4.24395 1.85787 -230.86251 359.22850
6775.0000 -234.41213 -229.84814 4.56399 1.89150 -230.18223 383.67756
6780.0000 -235.09461 -230.01288 5.08173 1.89278 -230.15624 386.55669
6785.0000 -234.69669 -230.56954 4.12715 1.88744 -230.26422 380.48875
6790.0000 -234.87031 -230.09003 4.78027 1.88010 -230.41276 373.31555
6795.0000 -234.81449 -230.11492 4.69957 1.87736 -230.46832 371.85448
6800.0000 -235.22649 -230.89994 4.32655 1.86385 -230.74161 365.11397
6805.0000 -235.36295 -232.06644 3.29650 1.81710 -231.68730 323.17901
6810.0000 -234.79285 -230.63977 4.15308 1.84950 -231.03195 351.75781
6815.0000 -234.92337 -230.18264 4.74073 1.87715 -230.47249 370.14441
6820.0000 -234.99928 -230.31320 4.68609 1.88982 -230.21608 381.17037
6825.0000 -234.78661 -230.96733 3.81928 1.88516 -230.31045 375.23654
6830.0000 -234.69460 -231.02253 3.67206 1.83225 -231.38083 337.14266
6835.0000 -234.60543 -230.95651 3.64892 1.86257 -230.76755 359.20415
6840.0000 -235.07183 -230.41130 4.66052 1.85718 -230.87656 357.77857
6845.0000 -234.86737 -230.02014 4.84722 1.90953 -229.81744 396.30607
6850.0000 -233.91372 -230.07204 3.84168 1.89414 -230.12870 387.51911
6855.0000 -234.24251 -230.04964 4.19287 1.90854 -229.83750 392.59121
6860.0000 -235.68908 -231.55786 4.13122 1.87035 -230.61003 371.12062
6865.0000 -234.71557 -230.55803 4.15754 1.83170 -231.39197 335.66166
6870.0000 -234.89369 -230.02308 4.87061 1.89746 -230.06158 388.80848
6875.0000 -234.34824 -229.83028 4.51796 1.89073 -230.19776 385.32877
6880.0000 -235.24165 -230.32925 4.91239 1.88304 -230.35334 377.89900
6885.0000 -235.95763 -231.67380 4.28383 1.83795 -231.26556 344.19123
6890.0000 -235.69196 -231.46500 4.22696 1.82099 -231.60877 327.50508
6895.0000 -235.17486 -230.36201 4.81284 1.85365 -230.94797 353.44869
6900.0000 -234.63901 -230.67117 3.96784 1.87596 -230.49663 371.27616
6905.0000 -235.00983 -231.00242 4.00741 1.86564 -230.70525 362.50162
6910.0000 -235.17416 -231.05635 4.11780 1.83443 -231.33671 340.10127
6915.0000 -234.74942 -230.69394 4.05548 1.84894 -231.04311 347.77216
6920.0000 -234.97321 -230.57103 4.40219 1.85439 -230.93304 354.47970
6925.0000 -235.21545 -231.16579 4.04966 1.85854 -230.84892 355.90017
6930.0000 -234.71936 -230.14517 4.57419 1.86997 -230.61773 367.04383
6935.0000 -233.83057 -229.50127 4.32930 1.90890 -229.83005 398.82166
6940.0000 -234.72167 -230.07290 4.64877 1.94297 -229.14085 420.44649
6945.0000 -234.63963 -230.09636 4.54327 1.90677 -229.87333 395.86791
6950.0000 -234.85102 -230.29607 4.55495 1.87855 -230.44412 372.70254
6955.0000 -235.07412 -231.10305 3.97106 1.86276 -230.76359 358.60318
6960.0000 -235.35374 -230.50976 4.84397 1.85369 -230.94707 352.24737
6965.0000 -234.37622 -229.98379 4.39243 1.88524 -230.30879 378.31110
6970.0000 -235.15710 -231.27210 3.88500 1.87717 -230.47218 369.27918
6975.0000 -235.33122 -231.10027 4.23095 1.84017 -231.22058 341.88693
6980.0000 -235.39888 -230.79068 4.60820 1.87077 -230.60163 369.05509
6985.0000 -235.11851 -230.74325 4.37526 1.87138 -230.58932 370.69093
6990.0000 -235.16273 -230.44679 4.71594 1.85252 -230.97075 355.41508
6995.0000 -235.14941 -230.74595 4.40346 1.88179 -230.37859 378.18241
7000.0000 -235.53452 -231.35364 4.18088 1.85892 -230.84123 360.83090
FREEZING PROCESS: loop number 29 T-loop= 340.00000000000000
main_MD> interactions number 29 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17469 1.38240 -0.89275
force_rgl> df(natom) 1.08261 2.24582 -1.02544
7005.0000 -234.68134 -231.28699 3.39435 1.84050 -231.21395 342.21772
7010.0000 -235.40006 -231.42594 3.97412 1.82777 -231.47147 333.16370
7015.0000 -234.85954 -231.09742 3.76212 1.83172 -231.39166 336.36033
7020.0000 -235.41251 -230.94008 4.47243 1.84357 -231.15179 348.15769
7025.0000 -234.98123 -231.18711 3.79412 1.86081 -230.80301 361.65495
7030.0000 -235.86277 -232.27822 3.58455 1.81548 -231.72023 323.60845
7035.0000 -235.93965 -232.03822 3.90143 1.79281 -232.17885 307.04170
7040.0000 -234.73467 -231.12732 3.60735 1.80216 -231.98957 311.74376
7045.0000 -235.47785 -230.99645 4.48140 1.85474 -230.92578 352.40009
7050.0000 -235.03384 -230.99563 4.03821 1.84587 -231.10524 348.05053
7055.0000 -234.93470 -231.04193 3.89277 1.84876 -231.04695 351.41314
7060.0000 -234.83075 -231.01563 3.81511 1.85180 -230.98538 352.72601
7065.0000 -235.69889 -231.72635 3.97254 1.82478 -231.53205 328.48300
7070.0000 -235.76870 -231.98686 3.78184 1.80975 -231.83600 323.02948
7075.0000 -235.68958 -231.31287 4.37671 1.81337 -231.76282 320.30332
7080.0000 -235.45238 -231.50482 3.94756 1.82766 -231.47375 334.28300
7085.0000 -235.48618 -231.64452 3.84166 1.81985 -231.63179 328.40323
7090.0000 -235.56876 -231.95218 3.61658 1.82065 -231.61553 327.82801
7095.0000 -235.89025 -231.22741 4.66285 1.82442 -231.53929 330.92614
7100.0000 -235.35107 -231.27787 4.07319 1.83721 -231.28054 341.36641
7105.0000 -235.39274 -231.73530 3.65745 1.81243 -231.78181 321.31602
7110.0000 -235.00391 -231.11692 3.88699 1.84896 -231.04286 350.32499
7115.0000 -235.05481 -231.96872 3.08609 1.82875 -231.45175 330.90347
7120.0000 -235.12707 -231.42664 3.70043 1.82141 -231.60018 327.55977
7125.0000 -235.27456 -230.94275 4.33181 1.83977 -231.22882 345.44269
7130.0000 -235.03278 -230.34279 4.68999 1.88132 -230.38806 376.87275
7135.0000 -234.62463 -230.70176 3.92286 1.86862 -230.64505 363.06586
7140.0000 -234.91425 -230.40474 4.50951 1.86243 -230.77030 360.19301
7145.0000 -235.54324 -231.61992 3.92332 1.84425 -231.13801 348.73224
7150.0000 -234.82988 -230.12450 4.70538 1.85543 -230.91192 358.43928
7155.0000 -235.00373 -230.96727 4.03646 1.87372 -230.54190 369.73228
7160.0000 -235.48230 -231.71699 3.76532 1.84935 -231.03490 350.04709
7165.0000 -235.54070 -231.61415 3.92655 1.83085 -231.40930 336.46292
7170.0000 -235.79897 -231.32645 4.47252 1.82934 -231.43974 336.37058
7175.0000 -235.35812 -231.76395 3.59417 1.82982 -231.43007 334.87649
7180.0000 -234.40114 -230.67391 3.72723 1.83952 -231.23380 345.09831
7185.0000 -235.19278 -231.17050 4.02227 1.84934 -231.03506 348.33312
7190.0000 -235.45116 -231.52247 3.92869 1.84282 -231.16703 347.51010
7195.0000 -235.10427 -230.80604 4.29824 1.84233 -231.17695 345.50764
7200.0000 -234.71740 -230.91950 3.79790 1.85121 -230.99735 351.23146
7205.0000 -235.39859 -231.71143 3.68716 1.81395 -231.75112 321.38753
7210.0000 -235.63801 -231.67041 3.96760 1.80720 -231.88773 315.39138
7215.0000 -235.53745 -231.41768 4.11977 1.80389 -231.95460 318.44339
7220.0000 -235.35461 -231.18203 4.17259 1.81720 -231.68544 325.49881
7225.0000 -235.45787 -231.14428 4.31360 1.84438 -231.13548 346.76488
7230.0000 -235.58000 -231.51949 4.06051 1.83515 -231.32211 340.45292
7235.0000 -235.18255 -231.40896 3.77358 1.82243 -231.57953 329.44638
7240.0000 -235.33777 -231.06186 4.27591 1.82767 -231.47357 334.52197
7245.0000 -235.90620 -231.79127 4.11493 1.80916 -231.84812 317.50636
7250.0000 -234.87963 -230.76944 4.11019 1.81480 -231.73392 322.72128
FREEZING PROCESS: loop number 30 T-loop= 315.00000000000000
main_MD> interactions number 30 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39888 -0.82276 -1.02845
force_rgl> df(natom) 0.06021 1.13957 2.87352
7255.0000 -235.31922 -231.60775 3.71147 1.83843 -231.25588 340.96702
7260.0000 -235.37792 -231.83645 3.54147 1.79969 -232.03963 310.81697
7265.0000 -235.83308 -232.35775 3.47533 1.82210 -231.58619 328.61392
7270.0000 -235.51215 -231.90640 3.60575 1.80022 -232.02895 312.99934
7275.0000 -235.11193 -231.00297 4.10895 1.83138 -231.39838 335.42311
7280.0000 -235.69321 -232.17077 3.52244 1.81660 -231.69748 323.77555
7285.0000 -235.32170 -231.65893 3.66277 1.81601 -231.70942 323.75957
7290.0000 -235.10539 -231.44442 3.66097 1.81211 -231.78841 320.01639
7295.0000 -236.00324 -232.32913 3.67411 1.80532 -231.92562 312.98264
7300.0000 -236.09265 -232.66171 3.43093 1.78985 -232.23867 302.81422
7305.0000 -235.36821 -232.04304 3.32517 1.78626 -232.31126 298.09388
7310.0000 -235.44991 -231.55070 3.89921 1.81134 -231.80390 318.93491
7315.0000 -235.55043 -231.96675 3.58368 1.82490 -231.52967 330.43863
7320.0000 -235.77377 -231.43402 4.33975 1.82891 -231.44853 333.54345
7325.0000 -235.54123 -231.23558 4.30565 1.82551 -231.51719 330.11350
7330.0000 -234.98338 -231.37538 3.60800 1.82633 -231.50062 332.20479
7335.0000 -235.00650 -231.22641 3.78009 1.84295 -231.16431 345.20478
7340.0000 -235.35876 -232.03609 3.32267 1.83626 -231.29981 341.22321
7345.0000 -235.24455 -231.86721 3.37734 1.81296 -231.77105 321.53605
7350.0000 -235.05515 -231.62768 3.42746 1.82229 -231.58238 332.58518
7355.0000 -234.84679 -230.95145 3.89534 1.83444 -231.33658 340.50736
7360.0000 -235.42776 -231.59947 3.82830 1.82757 -231.47566 335.44766
7365.0000 -235.65611 -231.85559 3.80051 1.81548 -231.72018 323.15081
7370.0000 -235.44880 -231.31170 4.13710 1.82369 -231.55406 332.94488
7375.0000 -234.72158 -230.61875 4.10283 1.83870 -231.25047 344.24938
7380.0000 -235.16493 -231.65492 3.51001 1.82768 -231.47328 336.56720
7385.0000 -235.61554 -231.79055 3.82499 1.81344 -231.76148 323.14924
7390.0000 -235.97205 -231.92414 4.04790 1.80336 -231.96531 315.21770
7395.0000 -235.94149 -231.84803 4.09346 1.81474 -231.73515 322.09765
7400.0000 -235.79484 -232.55732 3.23752 1.79741 -232.08579 310.17484
7405.0000 -235.24871 -232.34596 2.90274 1.76606 -232.71991 284.74447
7410.0000 -235.34096 -231.42054 3.92042 1.81645 -231.70047 324.80028
7415.0000 -235.55288 -231.86968 3.68320 1.83095 -231.40724 334.80446
7420.0000 -235.89829 -232.08360 3.81469 1.79773 -232.07928 310.23043
7425.0000 -235.24791 -231.48045 3.76746 1.79851 -232.06353 309.04300
7430.0000 -235.73456 -232.20375 3.53082 1.80282 -231.97621 315.68160
7435.0000 -235.73330 -232.12976 3.60354 1.77565 -232.52595 294.05688
7440.0000 -235.60867 -232.22353 3.38514 1.80678 -231.89615 316.54279
7445.0000 -235.45369 -231.97138 3.48231 1.80029 -232.02757 313.80498
7450.0000 -235.81884 -232.14318 3.67567 1.80371 -231.95833 315.03740
7455.0000 -235.66647 -231.36840 4.29808 1.80806 -231.87021 320.01587
7460.0000 -235.93885 -231.71980 4.21905 1.82099 -231.60863 329.54305
7465.0000 -235.88487 -232.23372 3.65115 1.78454 -232.34622 299.04057
7470.0000 -235.86143 -232.46762 3.39380 1.77611 -232.51669 294.56562
7475.0000 -235.72446 -232.26048 3.46398 1.77878 -232.46257 296.58730
7480.0000 -235.39819 -231.44208 3.95611 1.80930 -231.84528 319.74865
7485.0000 -235.34705 -231.22203 4.12502 1.83683 -231.28818 339.31561
7490.0000 -235.04209 -231.72278 3.31931 1.82541 -231.51922 332.36304
7495.0000 -236.09879 -232.76402 3.33476 1.79487 -232.13709 306.45224
7500.0000 -235.60542 -231.33010 4.27531 1.80203 -231.99230 312.80821
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 4.3383288 [s].
main_MD> Deallocating global variables
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