tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_93/freeze.log

1704 lines
168 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_93.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 = 93 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: 93 9300
main_MD> Size of nv and nvoiz: 93 9300
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 = 93
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> 0.15700122195148547 6.5855049506501215E-002 -6.5085707886741867E-002 initial drift of cluster / NP1 for coalescence
init> 0.31351261545548498 0.33625768309568183 0.30279226166067563 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.4922509739983634E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49196 2.20212 6.71112
force_rgl> df(natom) 1.01053 -1.67293 1.22812
preparo> THERMALIZATION PROCESS AT 1061.2562495812858
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -211.06890218444818 13.120443885874735 -224.18934607032293 6.4872929282513937E-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= 1033.0000000000000
main_MD> interactions number 1 at Temperature= 1033.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.82315 0.11371 -0.11688
force_rgl> df(natom) -1.11413 -0.81292 -0.83940
5.0000 -223.03094 -210.89520 12.13574 3.09268 -210.86708 1080.86955
10.0000 -223.66820 -211.33063 12.33758 3.04165 -211.91454 1031.15430
15.0000 -223.76797 -211.00668 12.76129 3.02885 -212.17725 1016.62970
20.0000 -224.55384 -209.80801 14.74582 3.08961 -210.93013 1084.35264
25.0000 -224.32323 -212.08971 12.23352 2.97287 -213.32633 999.95345
30.0000 -221.71841 -208.69144 13.02697 3.17629 -209.15078 1085.42654
35.0000 -222.29794 -208.56480 13.73314 3.20560 -208.54908 1108.83025
40.0000 -222.19133 -208.91745 13.27388 3.19772 -208.71094 1111.18218
45.0000 -223.98266 -211.39687 12.58579 3.13806 -209.93547 1105.15411
50.0000 -225.70481 -212.95587 12.74894 3.01521 -212.45726 996.98125
55.0000 -223.89207 -211.35709 12.53498 3.04471 -211.85177 1048.15530
60.0000 -223.81508 -211.44047 12.37461 3.02890 -212.17619 1025.38828
65.0000 -222.93072 -210.45443 12.47630 3.07555 -211.21869 1047.24226
70.0000 -223.49049 -208.89912 14.59137 3.14804 -209.73077 1110.39297
75.0000 -221.82353 -209.81813 12.00540 3.15301 -209.62878 1110.19019
80.0000 -222.22840 -210.60424 11.62416 3.10422 -210.63017 1079.21906
85.0000 -222.93136 -212.58262 10.34874 3.04684 -211.80805 1034.83368
90.0000 -225.07957 -212.34453 12.73504 2.99732 -212.82446 1031.57493
95.0000 -225.08791 -212.46057 12.62733 2.99549 -212.86207 1035.47367
100.0000 -224.27124 -209.75627 14.51497 3.10376 -210.63962 1057.58996
105.0000 -223.75702 -210.90584 12.85118 3.13290 -210.04149 1115.08686
110.0000 -223.94961 -212.63324 11.31637 3.02600 -212.23587 1032.36898
115.0000 -223.41435 -210.60570 12.80865 3.08195 -211.08723 1045.33730
120.0000 -223.05657 -210.77234 12.28423 3.16616 -209.35872 1097.20019
125.0000 -224.97579 -213.84903 11.12676 3.01455 -212.47081 1017.27348
130.0000 -226.26858 -215.03622 11.23236 2.93613 -214.08052 948.41700
135.0000 -224.99960 -212.45192 12.54768 2.94619 -213.87411 967.75804
140.0000 -226.73541 -214.95436 11.78105 2.98761 -213.02373 1012.63956
145.0000 -225.56763 -213.08511 12.48252 2.99417 -212.88912 989.42558
150.0000 -223.70156 -210.96103 12.74053 3.05406 -211.65983 1034.38849
155.0000 -224.57147 -210.75054 13.82092 3.03277 -212.09674 1016.23993
160.0000 -224.91566 -211.57802 13.33763 3.06597 -211.41532 1054.74418
165.0000 -222.63193 -209.15878 13.47314 3.09003 -210.92139 1041.47873
170.0000 -223.40350 -211.97538 11.42812 3.12523 -210.19887 1067.76642
175.0000 -224.55864 -211.55420 13.00444 3.09248 -210.87109 1082.56415
180.0000 -221.62241 -208.83108 12.79133 3.14148 -209.86540 1086.12745
185.0000 -223.92976 -211.66753 12.26223 3.14763 -209.73902 1130.63143
190.0000 -225.85034 -212.58413 13.26621 3.00338 -212.70008 1035.04847
195.0000 -222.58399 -209.63246 12.95153 3.11592 -210.39011 1084.25751
200.0000 -223.83959 -209.93807 13.90151 3.13532 -209.99171 1081.06306
205.0000 -224.42390 -209.80371 14.62019 3.10241 -210.66732 1057.91646
210.0000 -223.74380 -209.57813 14.16567 3.13111 -210.07815 1086.62321
215.0000 -219.41598 -206.33785 13.07813 3.20074 -208.64891 1117.60717
220.0000 -224.16937 -210.73296 13.43641 3.19884 -208.68802 1144.73465
225.0000 -222.96855 -209.99902 12.96953 3.05762 -211.58672 1045.12330
230.0000 -223.67378 -209.78585 13.88793 3.10749 -210.56303 1068.31488
235.0000 -226.19492 -212.84310 13.35183 3.06223 -211.49212 1049.81842
240.0000 -226.21818 -213.47801 12.74017 2.97722 -213.23700 987.98109
245.0000 -224.84199 -212.75517 12.08681 2.98670 -213.04254 1016.88942
250.0000 -223.39913 -208.96480 14.43433 3.13964 -209.90308 1096.78649
FREEZING PROCESS: loop number 2 T-loop= 1008.0000000000000
main_MD> interactions number 2 at Temperature= 1008.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.49915 -3.18866 1.81979
force_rgl> df(natom) 0.96854 -0.28291 0.00668
255.0000 -225.96149 -213.32267 12.63882 3.09378 -210.84445 1084.33963
260.0000 -226.52525 -215.08131 11.44394 2.90210 -214.77909 958.28054
265.0000 -226.12625 -215.13169 10.99456 2.92583 -214.29190 973.92243
270.0000 -225.31589 -214.63632 10.67958 2.90956 -214.62589 927.51697
275.0000 -224.10757 -212.05643 12.05114 2.97247 -213.33455 961.25523
280.0000 -222.22757 -209.51014 12.71743 3.11665 -210.37498 1099.87480
285.0000 -222.92048 -211.05272 11.86776 3.14161 -209.86262 1072.53947
290.0000 -224.21850 -212.92905 11.28946 3.07744 -211.17988 1069.91685
295.0000 -224.26945 -212.24227 12.02718 3.05571 -211.62601 1045.31689
300.0000 -223.57532 -210.87157 12.70376 2.99509 -212.87026 1017.12075
305.0000 -222.50441 -211.29055 11.21386 3.06864 -211.36047 1018.78571
310.0000 -223.69332 -212.34659 11.34673 3.07162 -211.29933 1060.40572
315.0000 -224.45164 -214.10123 10.35040 3.01023 -212.55956 991.52275
320.0000 -224.38571 -210.84703 13.53867 3.01131 -212.53731 985.87186
325.0000 -223.26551 -211.40730 11.85822 3.04454 -211.85519 1032.57974
330.0000 -223.27853 -208.66851 14.61002 3.14293 -209.83567 1102.90563
335.0000 -223.40614 -210.14284 13.26329 3.15245 -209.64020 1111.65968
340.0000 -225.96379 -215.07303 10.89076 2.98735 -213.02926 1005.45016
345.0000 -224.85415 -212.97715 11.87700 2.93818 -214.03852 960.40597
350.0000 -224.24145 -210.96189 13.27957 3.02739 -212.20720 1035.55176
355.0000 -223.76269 -210.97439 12.78831 3.05222 -211.69750 1049.58206
360.0000 -221.17468 -209.22407 11.95061 3.14815 -209.72851 1101.71944
365.0000 -221.46255 -209.04074 12.42181 3.14100 -209.87511 1076.32230
370.0000 -221.99316 -208.39104 13.60212 3.20157 -208.63185 1123.88977
375.0000 -222.92838 -209.92492 13.00345 3.20242 -208.61456 1133.54100
380.0000 -225.39420 -211.64321 13.75099 3.09600 -210.79896 1046.15665
385.0000 -226.28556 -214.91320 11.37236 2.94967 -213.80271 970.87600
390.0000 -225.06201 -212.13788 12.92414 2.98719 -213.03244 971.51190
395.0000 -226.24689 -213.80561 12.44128 2.94864 -213.82371 975.14791
400.0000 -226.12200 -214.62413 11.49787 2.94007 -213.99960 978.08216
405.0000 -225.21677 -215.28330 9.93347 2.88326 -215.16575 930.95224
410.0000 -225.58635 -214.86944 10.71691 2.86705 -215.49856 923.15140
415.0000 -226.56633 -214.70012 11.86622 2.87908 -215.25164 948.86757
420.0000 -224.08392 -212.54624 11.53768 2.98832 -213.00934 1001.68668
425.0000 -226.17138 -214.21700 11.95438 2.96308 -213.52745 970.25084
430.0000 -222.98827 -211.74069 11.24759 3.01296 -212.50342 1044.67221
435.0000 -222.20882 -210.98705 11.22178 3.07727 -211.18333 1044.95834
440.0000 -221.41168 -210.11103 11.30065 3.14721 -209.74776 1105.67013
445.0000 -222.87926 -211.11659 11.76267 3.11911 -210.32451 1074.97476
450.0000 -223.59311 -212.32610 11.26702 3.04781 -211.78814 1038.73524
455.0000 -223.42401 -212.25521 11.16880 2.97025 -213.38014 1006.43197
460.0000 -222.35437 -210.50892 11.84545 3.06718 -211.39047 1050.42114
465.0000 -223.55637 -211.13897 12.41740 3.09477 -210.82424 1085.66678
470.0000 -223.43654 -211.44944 11.98710 3.07998 -211.12783 1056.69911
475.0000 -225.47184 -212.07309 13.39875 3.02521 -212.25200 1027.77254
480.0000 -226.27797 -213.63049 12.64748 3.03176 -212.11752 1028.70138
485.0000 -227.58429 -213.82815 13.75614 2.92800 -214.24744 960.74277
490.0000 -223.80192 -211.75190 12.05002 3.04885 -211.76667 1025.14106
495.0000 -224.13746 -213.08644 11.05102 3.03147 -212.12359 1019.22289
500.0000 -225.41048 -211.91246 13.49801 3.05009 -211.74141 1065.62891
FREEZING PROCESS: loop number 3 T-loop= 983.00000000000000
main_MD> interactions number 3 at Temperature= 983.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89024 0.26308 -1.24859
force_rgl> df(natom) 0.92927 -0.03979 0.66207
505.0000 -224.13640 -211.51895 12.61745 3.01227 -212.51762 994.59847
510.0000 -224.81622 -212.93501 11.88122 3.03408 -212.06997 1002.08110
515.0000 -224.48275 -212.74050 11.74225 2.91603 -214.49306 947.55767
520.0000 -224.68144 -212.43443 12.24701 3.00897 -212.58542 1021.66407
525.0000 -225.28010 -213.98527 11.29483 3.04296 -211.88775 1053.36998
530.0000 -227.26955 -216.74594 10.52361 2.87000 -215.43807 924.17132
535.0000 -226.65329 -214.27528 12.37801 2.84910 -215.86709 924.59875
540.0000 -225.83174 -213.94840 11.88334 2.93576 -214.08811 977.23340
545.0000 -225.67677 -212.73038 12.94639 2.98336 -213.11114 1009.96793
550.0000 -225.02905 -212.55852 12.47054 2.95495 -213.69432 980.59833
555.0000 -224.89621 -212.99955 11.89667 3.05479 -211.64483 1066.18238
560.0000 -227.03973 -216.17735 10.86238 2.86676 -215.50452 943.34598
565.0000 -226.57720 -213.71245 12.86475 2.90329 -214.75458 974.49550
570.0000 -225.46523 -213.93463 11.53060 3.00122 -212.74455 1008.03221
575.0000 -224.28187 -213.22140 11.06048 2.97815 -213.21801 1002.35315
580.0000 -224.22835 -212.15584 12.07251 2.99242 -212.92503 1012.32087
585.0000 -223.99463 -213.08489 10.90974 2.98142 -213.15079 988.54427
590.0000 -223.63439 -210.85489 12.77950 3.05716 -211.59613 1032.26727
595.0000 -223.34753 -211.38058 11.96695 3.04647 -211.81560 1030.33235
600.0000 -224.84299 -213.50206 11.34094 2.98106 -213.15818 1005.27330
605.0000 -226.49752 -213.98129 12.51623 2.93024 -214.20146 978.98529
610.0000 -226.25830 -213.88757 12.37073 2.93331 -214.13835 981.77130
615.0000 -226.71961 -213.92154 12.79807 2.95165 -213.76206 972.94355
620.0000 -226.53829 -213.16829 13.36999 3.00855 -212.59400 1028.26821
625.0000 -224.47806 -213.55428 10.92378 2.96852 -213.41578 982.92046
630.0000 -222.96379 -210.70870 12.25510 3.03833 -211.98268 1029.71694
635.0000 -223.74080 -212.78898 10.95182 3.04439 -211.85840 1043.42259
640.0000 -226.54461 -213.82549 12.71912 2.96633 -213.46062 984.88980
645.0000 -228.16210 -216.50144 11.66066 2.85960 -215.65148 914.74515
650.0000 -224.99373 -212.36405 12.62968 2.85488 -215.74826 930.00695
655.0000 -225.75171 -215.69967 10.05205 2.96315 -213.52590 998.26526
660.0000 -225.66625 -212.21596 13.45029 2.92933 -214.22019 968.13645
665.0000 -227.48661 -215.27408 12.21253 2.96243 -213.54075 1003.50076
670.0000 -224.85260 -211.07866 13.77395 3.00416 -212.68402 1026.05658
675.0000 -224.62490 -212.06966 12.55524 3.10471 -210.62006 1086.25480
680.0000 -222.93852 -210.24370 12.69482 3.00522 -212.66230 1002.46417
685.0000 -225.03825 -212.43937 12.59888 3.04113 -211.92513 1041.72932
690.0000 -224.27904 -213.55673 10.72231 2.98461 -213.08535 997.85227
695.0000 -223.12700 -210.30572 12.82127 3.07168 -211.29804 1036.25345
700.0000 -226.20843 -214.22998 11.97845 2.98692 -213.03797 992.54560
705.0000 -225.28285 -214.83264 10.45022 2.94374 -213.92439 963.56362
710.0000 -224.36714 -211.66855 12.69859 2.94693 -213.85886 953.59400
715.0000 -224.25440 -213.12619 11.12821 2.97823 -213.21631 981.59355
720.0000 -226.26920 -214.96670 11.30249 2.94533 -213.89179 976.45380
725.0000 -226.12891 -215.33057 10.79835 2.85993 -215.64460 920.54457
730.0000 -224.93724 -214.27510 10.66213 2.87041 -215.42954 898.68763
735.0000 -224.53891 -213.00335 11.53556 3.00155 -212.73764 1014.10022
740.0000 -226.37603 -214.71209 11.66394 2.96072 -213.57586 970.49147
745.0000 -226.15348 -214.46135 11.69212 2.90326 -214.75522 955.35559
750.0000 -227.60940 -215.71652 11.89289 2.87437 -215.34836 938.00878
FREEZING PROCESS: loop number 4 T-loop= 958.00000000000000
main_MD> interactions number 4 at Temperature= 958.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98321 -0.39478 -1.87071
force_rgl> df(natom) -2.29870 0.02410 8.50100
755.0000 -225.99940 -213.17109 12.82831 2.89690 -214.88583 953.15768
760.0000 -227.16469 -214.40672 12.75797 2.89618 -214.90060 937.90081
765.0000 -227.36087 -214.35522 13.00565 2.88614 -215.10669 923.76028
770.0000 -226.35878 -215.52474 10.83404 2.89269 -214.97222 947.80329
775.0000 -226.14119 -215.10472 11.03647 2.86510 -215.53856 945.34116
780.0000 -227.31154 -216.02850 11.28303 2.85744 -215.69573 932.04802
785.0000 -228.51337 -217.63402 10.87934 2.79802 -216.91559 889.29111
790.0000 -225.80619 -216.10811 9.69808 2.79849 -216.90580 906.09911
795.0000 -225.42105 -213.38539 12.03566 2.87970 -215.23884 938.55216
800.0000 -225.18556 -214.15994 11.02562 2.97274 -213.32914 984.94613
805.0000 -223.66891 -211.29526 12.37366 2.99921 -212.78567 1015.14786
810.0000 -226.42455 -214.22098 12.20357 2.97983 -213.18353 972.47868
815.0000 -224.58906 -213.12617 11.46289 2.92631 -214.28212 967.92526
820.0000 -226.34534 -215.39609 10.94926 2.91964 -214.41912 961.69465
825.0000 -226.11303 -214.55875 11.55428 2.85055 -215.83721 912.32960
830.0000 -227.44823 -214.00279 13.44545 2.92213 -214.36800 974.38191
835.0000 -225.12956 -215.11211 10.01745 2.88579 -215.11394 955.43512
840.0000 -225.45384 -213.70655 11.74729 2.88608 -215.10782 933.38335
845.0000 -226.91145 -217.58614 9.32530 2.90773 -214.66355 949.63247
850.0000 -228.00166 -216.68215 11.31951 2.81081 -216.65297 886.99459
855.0000 -226.69953 -214.72171 11.97782 2.86888 -215.46097 934.00222
860.0000 -224.84445 -213.51964 11.32481 2.95121 -213.77095 970.74614
865.0000 -225.55437 -213.13655 12.41782 3.00631 -212.63991 999.64759
870.0000 -226.60225 -214.01817 12.58407 2.99054 -212.96368 1014.70635
875.0000 -227.38292 -215.68264 11.70028 2.90950 -214.62726 955.55255
880.0000 -229.18832 -218.47582 10.71251 2.76473 -217.59875 878.94808
885.0000 -228.67558 -216.59525 12.08033 2.77936 -217.29853 921.03952
890.0000 -226.14254 -215.24621 10.89634 2.86360 -215.56931 956.15268
895.0000 -226.62027 -214.27926 12.34101 2.89639 -214.89622 930.09029
900.0000 -227.19408 -215.30683 11.88726 2.85129 -215.82196 944.75984
905.0000 -226.73359 -215.19198 11.54160 2.90741 -214.67003 971.17438
910.0000 -225.91687 -213.77821 12.13866 2.93016 -214.20318 935.07964
915.0000 -224.26034 -214.11820 10.14214 2.96361 -213.51653 975.28025
920.0000 -225.11748 -213.17548 11.94200 2.88218 -215.18806 927.91744
925.0000 -225.71643 -215.03878 10.67765 2.93994 -214.00243 971.18675
930.0000 -225.74641 -212.38118 13.36523 2.96372 -213.51431 978.83906
935.0000 -222.52569 -211.09999 11.42570 3.03198 -212.11300 1008.08153
940.0000 -223.83161 -213.06291 10.76870 3.00363 -212.69498 1007.13201
945.0000 -225.96207 -214.05575 11.90631 2.97096 -213.36567 994.71850
950.0000 -223.84837 -212.32113 11.52724 2.94247 -213.95041 971.76814
955.0000 -226.48899 -215.21791 11.27108 2.95002 -213.79551 984.32200
960.0000 -227.16015 -215.53322 11.62693 2.88334 -215.16416 943.81230
965.0000 -226.49408 -213.09644 13.39764 2.87436 -215.34856 950.94032
970.0000 -226.87702 -213.04232 13.83469 2.97431 -213.29678 1006.74203
975.0000 -225.00302 -214.28131 10.72171 2.92812 -214.24489 964.46393
980.0000 -226.28551 -216.51981 9.76570 2.83553 -216.14561 939.95852
985.0000 -227.14827 -216.37382 10.77445 2.75534 -217.79149 875.89775
990.0000 -226.42951 -216.94563 9.48388 2.77931 -217.29963 896.20770
995.0000 -227.17842 -215.33941 11.83901 2.83141 -216.23018 904.00741
1000.0000 -228.93151 -216.49173 12.43978 2.92216 -214.36727 981.69830
FREEZING PROCESS: loop number 5 T-loop= 933.00000000000000
main_MD> interactions number 5 at Temperature= 933.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.89628 1.41206 0.00523
force_rgl> df(natom) -1.14892 -3.21767 -2.43193
1005.0000 -226.27379 -215.01515 11.25865 2.87100 -215.41753 946.11010
1010.0000 -226.20768 -214.31406 11.89362 2.89803 -214.86267 944.02414
1015.0000 -224.79939 -214.35800 10.44139 2.89557 -214.91318 949.39614
1020.0000 -228.00682 -217.73411 10.27271 2.81112 -216.64659 880.34989
1025.0000 -226.97556 -216.24533 10.73023 2.77484 -217.39135 882.52569
1030.0000 -226.23798 -215.11065 11.12733 2.93411 -214.12194 965.95087
1035.0000 -227.82330 -216.47722 11.34608 2.82319 -216.39883 897.65901
1040.0000 -225.30672 -212.95560 12.35112 2.91609 -214.49199 995.94247
1045.0000 -227.73820 -217.36339 10.37481 2.87126 -215.41208 919.44889
1050.0000 -226.25319 -215.21367 11.03952 2.85266 -215.79390 900.21994
1055.0000 -224.85472 -214.54272 10.31200 2.90849 -214.64799 976.37214
1060.0000 -225.24037 -213.58395 11.65642 2.88289 -215.17346 972.45314
1065.0000 -225.33148 -215.07840 10.25308 2.90951 -214.62696 938.55201
1070.0000 -224.91480 -213.05696 11.85784 2.96199 -213.54973 982.48484
1075.0000 -225.65826 -212.77047 12.88779 3.02084 -212.34179 1023.21105
1080.0000 -225.99399 -212.89241 13.10157 3.00561 -212.65434 1021.88520
1085.0000 -225.94952 -215.78943 10.16009 2.92976 -214.21125 942.95693
1090.0000 -229.35821 -218.48214 10.87607 2.81151 -216.63853 887.38108
1095.0000 -226.77039 -215.22657 11.54381 2.86751 -215.48912 924.99178
1100.0000 -225.35644 -215.06404 10.29240 2.87331 -215.37010 924.53177
1105.0000 -226.61953 -215.13762 11.48191 2.92738 -214.26025 980.07008
1110.0000 -227.31437 -218.11847 9.19590 2.81331 -216.60158 906.40065
1115.0000 -225.56511 -213.61872 11.94639 2.82077 -216.44854 919.40276
1120.0000 -227.36787 -215.27119 12.09669 2.91257 -214.56417 969.40192
1125.0000 -225.05888 -215.59711 9.46177 2.89439 -214.93740 923.85399
1130.0000 -227.27189 -215.93456 11.33733 2.87523 -215.33067 909.74336
1135.0000 -224.05800 -212.06488 11.99312 2.93420 -214.12020 984.61428
1140.0000 -228.43211 -216.77779 11.65432 2.91236 -214.56847 957.95380
1145.0000 -227.27881 -217.48458 9.79423 2.75973 -217.70143 844.21265
1150.0000 -227.78514 -216.28746 11.49768 2.81205 -216.62761 881.20134
1155.0000 -225.96710 -213.91115 12.05595 2.89812 -214.86075 933.23823
1160.0000 -224.79768 -213.22781 11.56987 2.96487 -213.49057 967.47183
1165.0000 -224.38294 -212.50992 11.87302 2.98113 -213.15685 970.82507
1170.0000 -226.84021 -215.04050 11.79971 2.95206 -213.75357 970.15315
1175.0000 -228.15914 -218.68897 9.47018 2.78850 -217.11095 874.41857
1180.0000 -228.36617 -216.42960 11.93658 2.76686 -217.55508 889.60765
1185.0000 -228.03531 -216.63837 11.39694 2.81782 -216.50915 906.62492
1190.0000 -228.42665 -216.25467 12.17198 2.77949 -217.29585 896.99615
1195.0000 -226.58971 -215.07890 11.51081 2.82559 -216.34957 890.89095
1200.0000 -227.24248 -216.42515 10.81733 2.87439 -215.34792 953.85792
1205.0000 -227.72878 -217.39723 10.33155 2.85366 -215.77343 921.95286
1210.0000 -227.15967 -216.85479 10.30487 2.82339 -216.39469 881.71686
1215.0000 -225.93605 -215.45522 10.48083 2.83925 -216.06912 900.81619
1220.0000 -227.49974 -215.59201 11.90773 2.88552 -215.11934 955.19202
1225.0000 -226.94746 -215.79747 11.14999 2.83703 -216.11480 916.24510
1230.0000 -229.70147 -219.87954 9.82194 2.73026 -218.30645 856.52787
1235.0000 -229.68789 -218.60778 11.08010 2.71091 -218.70364 819.84757
1240.0000 -228.37811 -218.45695 9.92116 2.72775 -218.35798 850.02778
1245.0000 -225.90799 -215.40025 10.50774 2.79470 -216.98371 861.30994
1250.0000 -226.12161 -216.10000 10.02160 2.83965 -216.06102 890.10814
FREEZING PROCESS: loop number 6 T-loop= 908.00000000000000
main_MD> interactions number 6 at Temperature= 908.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.73363 2.31480 -0.96141
force_rgl> df(natom) -2.40767 0.87980 -0.24167
1255.0000 -225.56249 -215.58966 9.97283 2.86550 -215.53031 903.79525
1260.0000 -226.90392 -216.61360 10.29032 2.82577 -216.34589 905.61677
1265.0000 -227.51921 -217.91669 9.60251 2.76956 -217.49972 877.17944
1270.0000 -228.58948 -217.01223 11.57726 2.78605 -217.16119 866.28261
1275.0000 -224.01473 -212.67133 11.34340 2.91332 -214.54881 953.86038
1280.0000 -224.89268 -214.41938 10.47330 2.95053 -213.78493 989.77483
1285.0000 -227.64093 -215.90414 11.73679 2.90587 -214.70174 927.59071
1290.0000 -226.82920 -214.85649 11.97271 2.88016 -215.22937 924.23515
1295.0000 -226.45359 -216.95523 9.49836 2.87139 -215.40939 922.73573
1300.0000 -227.53748 -216.82971 10.70777 2.79630 -216.95091 889.64143
1305.0000 -228.31047 -216.09924 12.21123 2.83208 -216.21632 923.38925
1310.0000 -225.51298 -215.17827 10.33471 2.83826 -216.08953 896.65866
1315.0000 -226.40761 -214.78681 11.62080 2.93554 -214.09267 942.08769
1320.0000 -224.24536 -214.39335 9.85201 2.87929 -215.24732 914.33348
1325.0000 -226.42635 -216.09348 10.33287 2.89539 -214.91680 931.79769
1330.0000 -226.30942 -214.91248 11.39694 2.82278 -216.40725 898.51929
1335.0000 -229.47448 -218.43581 11.03867 2.80283 -216.81675 894.85772
1340.0000 -227.46817 -218.12058 9.34758 2.73383 -218.23306 864.94439
1345.0000 -230.94783 -218.67548 12.27235 2.73528 -218.20326 844.93251
1350.0000 -226.68251 -216.82607 9.85643 2.76832 -217.52521 876.44139
1355.0000 -227.88003 -217.10748 10.77255 2.83769 -216.10112 913.19693
1360.0000 -227.63551 -217.26284 10.37267 2.85141 -215.81953 904.23371
1365.0000 -227.25875 -216.90595 10.35280 2.76302 -217.63391 856.21802
1370.0000 -226.94641 -216.57989 10.36651 2.83324 -216.19256 894.44817
1375.0000 -225.72790 -214.17867 11.54923 2.83324 -216.19265 913.94300
1380.0000 -225.57766 -215.50422 10.07344 2.86562 -215.52796 939.84340
1385.0000 -227.08935 -216.64867 10.44068 2.84415 -215.96868 882.02578
1390.0000 -226.25694 -215.23957 11.01737 2.91455 -214.52343 922.52118
1395.0000 -224.56848 -215.03364 9.53484 2.86116 -215.61934 927.47629
1400.0000 -228.67457 -217.00096 11.67361 2.89199 -214.98652 936.37848
1405.0000 -226.02938 -217.34487 8.68451 2.78946 -217.09115 899.08439
1410.0000 -227.59718 -216.82617 10.77101 2.79448 -216.98808 889.09454
1415.0000 -228.36601 -216.61415 11.75185 2.81572 -216.55209 894.09263
1420.0000 -226.76336 -216.16541 10.59795 2.85274 -215.79223 920.89945
1425.0000 -224.04026 -212.48314 11.55711 2.85405 -215.76544 938.66792
1430.0000 -224.16850 -214.68680 9.48169 2.95983 -213.59410 989.40776
1435.0000 -225.17829 -214.26417 10.91412 2.94873 -213.82189 993.42662
1440.0000 -226.58625 -216.60320 9.98306 2.83983 -216.05730 911.46138
1445.0000 -227.63035 -217.71421 9.91615 2.82829 -216.29410 900.77723
1450.0000 -226.63586 -214.90786 11.72801 2.82804 -216.29939 897.57628
1455.0000 -227.42095 -216.48877 10.93218 2.87445 -215.34667 928.58338
1460.0000 -228.34972 -217.52743 10.82229 2.76280 -217.63838 877.36521
1465.0000 -227.95662 -216.88012 11.07649 2.81854 -216.49432 904.61749
1470.0000 -228.47903 -215.87467 12.60436 2.74671 -217.96870 845.66558
1475.0000 -226.97993 -215.93152 11.04840 2.80582 -216.75541 885.41961
1480.0000 -228.18369 -216.14110 12.04259 2.81809 -216.50348 893.43929
1485.0000 -225.13576 -213.66636 11.46940 2.84661 -215.91809 917.71659
1490.0000 -226.03120 -216.75645 9.27474 2.88854 -215.05742 923.10006
1495.0000 -228.18305 -217.45404 10.72901 2.80478 -216.77673 894.60317
1500.0000 -230.08149 -217.80815 12.27334 2.73887 -218.12976 857.23652
FREEZING PROCESS: loop number 7 T-loop= 883.00000000000000
main_MD> interactions number 7 at Temperature= 883.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.92008 -1.90175 0.73656
force_rgl> df(natom) 3.51372 -2.18348 -0.13872
1505.0000 -226.20670 -216.24994 9.95675 2.79176 -217.04399 889.54865
1510.0000 -229.98685 -219.92996 10.05689 2.75198 -217.86064 843.48768
1515.0000 -227.10286 -217.29397 9.80889 2.73265 -218.25739 817.10823
1520.0000 -227.75011 -216.45574 11.29437 2.78371 -217.20919 884.19647
1525.0000 -227.73864 -215.92049 11.81815 2.84816 -215.88625 912.07967
1530.0000 -226.13088 -214.37837 11.75251 2.92015 -214.40858 932.79095
1535.0000 -226.33163 -215.74917 10.58245 2.87586 -215.31765 909.31014
1540.0000 -228.06873 -217.55305 10.51567 2.84532 -215.94467 903.05131
1545.0000 -228.40815 -216.42831 11.97985 2.79702 -216.93608 857.47964
1550.0000 -227.97486 -218.21344 9.76142 2.74094 -218.08724 857.04915
1555.0000 -225.93130 -216.20366 9.72764 2.76393 -217.61524 879.33227
1560.0000 -227.47854 -215.45893 12.01962 2.84848 -215.87966 925.50059
1565.0000 -225.38570 -215.43553 9.95017 2.89116 -215.00359 931.13013
1570.0000 -226.72171 -214.47515 12.24656 2.92455 -214.31816 936.26470
1575.0000 -225.40981 -214.48939 10.92042 2.90487 -214.72214 932.77268
1580.0000 -228.10701 -218.83269 9.27432 2.79712 -216.93397 872.42429
1585.0000 -228.72742 -219.21022 9.51720 2.69932 -218.94144 792.86830
1590.0000 -226.79494 -215.83962 10.95532 2.79069 -217.06594 896.85567
1595.0000 -228.50330 -217.53103 10.97227 2.77495 -217.38900 871.10253
1600.0000 -229.12939 -218.01495 11.11444 2.76779 -217.53610 884.14386
1605.0000 -229.38261 -218.57806 10.80455 2.77849 -217.31632 884.65942
1610.0000 -228.78928 -218.46592 10.32336 2.77615 -217.36433 894.30166
1615.0000 -226.03369 -214.10258 11.93111 2.82179 -216.42762 910.76203
1620.0000 -224.32376 -213.34602 10.97774 2.90134 -214.79476 920.89877
1625.0000 -226.66120 -217.55067 9.11053 2.88589 -215.11188 910.24293
1630.0000 -229.13986 -218.65163 10.48823 2.79467 -216.98429 886.15512
1635.0000 -228.31940 -218.96518 9.35422 2.75511 -217.79626 853.38217
1640.0000 -226.22667 -217.61074 8.61593 2.73240 -218.26244 838.78131
1645.0000 -228.04990 -217.95151 10.09840 2.76401 -217.61365 841.49873
1650.0000 -228.13018 -217.38167 10.74851 2.78081 -217.26883 824.75430
1655.0000 -229.08876 -217.06911 12.01965 2.77131 -217.46375 892.08644
1660.0000 -227.85531 -216.73995 11.11536 2.83608 -216.13430 929.91013
1665.0000 -227.83449 -216.03159 11.80291 2.75635 -217.77090 854.84483
1670.0000 -228.87691 -218.03269 10.84421 2.74079 -218.09028 862.11501
1675.0000 -227.18394 -216.48364 10.70030 2.74715 -217.95977 866.10726
1680.0000 -229.05465 -217.79009 11.26455 2.81048 -216.65970 885.79420
1685.0000 -229.10272 -218.06404 11.03868 2.77359 -217.41706 889.12800
1690.0000 -227.67685 -216.73806 10.93879 2.74797 -217.94291 868.73125
1695.0000 -227.60309 -218.44895 9.15414 2.79869 -216.90166 896.39596
1700.0000 -228.51504 -217.79950 10.71554 2.69923 -218.94330 822.26381
1705.0000 -227.89627 -216.84647 11.04980 2.73540 -218.20100 848.67797
1710.0000 -227.68390 -217.78216 9.90174 2.75207 -217.85882 862.35002
1715.0000 -228.59831 -216.91412 11.68419 2.77398 -217.40898 887.38329
1720.0000 -227.34038 -218.70484 8.63555 2.71527 -218.61420 834.15582
1725.0000 -226.73474 -217.54938 9.18536 2.77637 -217.36000 871.29039
1730.0000 -226.79571 -217.09160 9.70411 2.79881 -216.89932 876.11508
1735.0000 -228.62672 -217.43576 11.19096 2.81463 -216.57466 909.61830
1740.0000 -228.83604 -217.27873 11.55732 2.77398 -217.40897 863.30581
1745.0000 -228.47370 -219.94289 8.53081 2.70006 -218.92638 812.74877
1750.0000 -226.80640 -214.90371 11.90269 2.80228 -216.82796 867.53111
FREEZING PROCESS: loop number 8 T-loop= 858.00000000000000
main_MD> interactions number 8 at Temperature= 858.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10710 -0.01716 -0.97855
force_rgl> df(natom) -1.09105 2.70872 1.37745
1755.0000 -226.71037 -216.31832 10.39205 2.86938 -215.45062 951.13921
1760.0000 -227.92019 -217.50142 10.41877 2.77285 -217.43226 853.22362
1765.0000 -228.19595 -218.51544 9.68052 2.79213 -217.03646 879.97404
1770.0000 -229.26301 -218.04454 11.21847 2.74061 -218.09392 876.11734
1775.0000 -228.41462 -217.98934 10.42528 2.70328 -218.86018 835.99718
1780.0000 -227.56851 -216.53317 11.03535 2.75992 -217.69762 848.33393
1785.0000 -225.92663 -215.54124 10.38538 2.83071 -216.24446 883.13545
1790.0000 -226.82586 -215.84414 10.98173 2.85793 -215.68581 905.08883
1795.0000 -226.11098 -215.59704 10.51394 2.84119 -216.02928 898.65984
1800.0000 -227.45316 -215.74428 11.70888 2.82284 -216.40609 902.75699
1805.0000 -227.17781 -215.33064 11.84717 2.80188 -216.83634 901.54383
1810.0000 -226.71110 -216.39983 10.31127 2.84591 -215.93238 912.26548
1815.0000 -228.97311 -217.65851 11.31460 2.80631 -216.74541 882.70423
1820.0000 -229.39405 -219.67514 9.71891 2.69492 -219.03193 829.68594
1825.0000 -228.96741 -219.98614 8.98127 2.66109 -219.72628 820.61553
1830.0000 -227.76608 -216.77021 10.99587 2.71158 -218.68977 852.09225
1835.0000 -227.79876 -216.84108 10.95767 2.80922 -216.68569 889.22564
1840.0000 -226.45779 -216.65897 9.79882 2.78025 -217.28031 859.85930
1845.0000 -225.40333 -216.00080 9.40253 2.76691 -217.55406 862.50439
1850.0000 -229.45090 -218.86595 10.58495 2.74718 -217.95901 873.30847
1855.0000 -228.10365 -218.62632 9.47733 2.67691 -219.40147 820.84901
1860.0000 -230.09899 -220.69172 9.40727 2.65051 -219.94346 792.20513
1865.0000 -227.59819 -218.84009 8.75810 2.69794 -218.96981 828.88532
1870.0000 -228.62829 -216.95976 11.66852 2.78372 -217.20909 880.58284
1875.0000 -228.89314 -217.54212 11.35102 2.77939 -217.29794 850.86190
1880.0000 -227.51569 -217.62935 9.88635 2.76404 -217.61307 863.20182
1885.0000 -228.76197 -218.26704 10.49493 2.77829 -217.32055 872.65280
1890.0000 -229.92775 -219.30201 10.62574 2.65034 -219.94696 816.94582
1895.0000 -229.12686 -217.58176 11.54510 2.71636 -218.59179 856.42061
1900.0000 -229.55480 -219.80725 9.74755 2.73489 -218.21144 862.37588
1905.0000 -229.13256 -219.61198 9.52058 2.67703 -219.39900 820.71630
1910.0000 -226.44384 -217.44995 8.99390 2.76042 -217.68724 851.81519
1915.0000 -228.46496 -218.10894 10.35602 2.74750 -217.95262 846.89430
1920.0000 -229.22188 -218.94930 10.27258 2.76583 -217.57626 866.81573
1925.0000 -227.97387 -218.36416 9.60971 2.70770 -218.76940 839.30014
1930.0000 -230.50378 -221.35844 9.14534 2.62638 -220.43874 766.34775
1935.0000 -228.20272 -218.10706 10.09566 2.64145 -220.12939 806.65234
1940.0000 -227.99012 -217.57320 10.41692 2.73414 -218.22676 848.87684
1945.0000 -229.79532 -218.85703 10.93829 2.71544 -218.61055 844.69019
1950.0000 -227.77214 -218.07180 9.70034 2.70223 -218.88182 827.59918
1955.0000 -229.24949 -219.45540 9.79409 2.70677 -218.78861 816.66296
1960.0000 -227.80908 -216.67242 11.13666 2.71135 -218.69452 822.65386
1965.0000 -227.10412 -216.14855 10.95557 2.78606 -217.16099 860.09125
1970.0000 -229.52176 -219.53354 9.98822 2.77870 -217.31203 866.48649
1975.0000 -227.04035 -216.69270 10.34765 2.74636 -217.97592 851.95231
1980.0000 -228.87693 -217.42018 11.45675 2.75732 -217.75101 855.54349
1985.0000 -228.79900 -218.05724 10.74177 2.78036 -217.27796 858.24722
1990.0000 -228.58647 -219.15908 9.42739 2.67510 -219.43874 828.22505
1995.0000 -226.09823 -216.83675 9.26148 2.68677 -219.19916 805.33668
2000.0000 -227.82362 -216.04789 11.77574 2.82732 -216.31416 926.50972
FREEZING PROCESS: loop number 9 T-loop= 833.00000000000000
main_MD> interactions number 9 at Temperature= 833.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.97690 -1.40471 -0.93342
force_rgl> df(natom) -3.97591 1.82344 -1.78211
2005.0000 -229.51733 -220.77850 8.73882 2.73726 -218.16281 856.81327
2010.0000 -228.20245 -218.08869 10.11376 2.65496 -219.85206 781.33735
2015.0000 -230.51933 -220.85078 9.66855 2.69275 -219.07633 815.92745
2020.0000 -230.18705 -220.20320 9.98385 2.60114 -220.95676 769.98244
2025.0000 -228.12017 -219.52226 8.59791 2.63840 -220.19198 806.41615
2030.0000 -229.87643 -219.61640 10.26003 2.70301 -218.86571 829.97662
2035.0000 -230.31795 -220.73361 9.58435 2.62501 -220.46687 793.71190
2040.0000 -230.65920 -220.51721 10.14199 2.60358 -220.90684 758.34890
2045.0000 -229.54858 -218.88139 10.66719 2.68620 -219.21073 817.93076
2050.0000 -229.43186 -219.50577 9.92609 2.66411 -219.66416 801.79837
2055.0000 -229.24796 -217.59241 11.65554 2.75563 -217.78567 852.10562
2060.0000 -228.30396 -218.41264 9.89132 2.77761 -217.33447 877.34488
2065.0000 -229.63292 -218.18424 11.44868 2.74602 -217.98290 852.53782
2070.0000 -229.76849 -220.78511 8.98339 2.67689 -219.40201 832.50790
2075.0000 -230.40521 -219.09297 11.31224 2.66046 -219.73919 797.13425
2080.0000 -230.14834 -220.39145 9.75690 2.64742 -220.00684 796.74580
2085.0000 -227.04086 -218.38988 8.65097 2.67648 -219.41042 805.95649
2090.0000 -229.84121 -220.18970 9.65152 2.67182 -219.50592 795.75031
2095.0000 -228.15035 -218.32362 9.82673 2.69793 -218.97009 818.01943
2100.0000 -229.70834 -220.45646 9.25189 2.72295 -218.45645 840.98362
2105.0000 -229.71577 -219.46802 10.24775 2.65240 -219.90457 811.15426
2110.0000 -229.48680 -219.41219 10.07461 2.68685 -219.19744 833.14752
2115.0000 -228.01136 -217.27872 10.73263 2.70413 -218.84282 849.30089
2120.0000 -228.27134 -218.67417 9.59717 2.73934 -218.12003 842.57365
2125.0000 -228.16921 -218.17732 9.99189 2.70807 -218.76190 834.36113
2130.0000 -230.87988 -222.46104 8.41883 2.60551 -220.86718 755.93839
2135.0000 -232.30222 -222.95312 9.34909 2.54291 -222.15204 727.46367
2140.0000 -230.20914 -220.43005 9.77908 2.56735 -221.65041 741.64133
2145.0000 -229.03447 -220.12091 8.91356 2.62293 -220.50950 794.95599
2150.0000 -229.04831 -218.67514 10.37317 2.66367 -219.67331 804.96659
2155.0000 -229.00644 -219.51078 9.49566 2.69249 -219.08169 818.48126
2160.0000 -230.09561 -220.21910 9.87650 2.68665 -219.20164 844.45016
2165.0000 -229.74199 -221.14581 8.59618 2.61106 -220.75324 778.50746
2170.0000 -229.68419 -219.04253 10.64166 2.64597 -220.03663 778.07887
2175.0000 -229.93025 -219.40712 10.52313 2.67533 -219.43389 820.61311
2180.0000 -226.03706 -217.49903 8.53804 2.71192 -218.68278 846.75591
2185.0000 -227.32431 -217.31165 10.01266 2.76191 -217.65671 850.21498
2190.0000 -226.45258 -217.87422 8.57836 2.73736 -218.16066 844.99412
2195.0000 -228.81066 -218.74983 10.06083 2.77681 -217.35081 855.42995
2200.0000 -226.94640 -217.28934 9.65706 2.70364 -218.85287 823.92191
2205.0000 -228.37955 -217.31711 11.06244 2.79820 -216.91176 861.25813
2210.0000 -228.18166 -215.69419 12.48746 2.81327 -216.60250 922.21496
2215.0000 -228.39285 -217.33995 11.05291 2.82711 -216.31831 903.26417
2220.0000 -228.36260 -219.46962 8.89298 2.72643 -218.38503 832.41983
2225.0000 -225.43345 -215.79020 9.64325 2.79333 -217.01183 855.33892
2230.0000 -228.82758 -218.74652 10.08106 2.78002 -217.28497 854.01102
2235.0000 -227.69011 -218.12328 9.56683 2.72974 -218.31706 834.73785
2240.0000 -227.41977 -217.13839 10.28139 2.73087 -218.29399 822.70728
2245.0000 -228.75047 -219.05591 9.69456 2.74998 -217.90167 841.92362
2250.0000 -229.30056 -219.23725 10.06331 2.68037 -219.33047 819.59620
FREEZING PROCESS: loop number 10 T-loop= 808.00000000000000
main_MD> interactions number 10 at Temperature= 808.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.59182 -1.08079 -1.44173
force_rgl> df(natom) -0.33950 -0.61241 3.34173
2255.0000 -227.06196 -217.79040 9.27156 2.71102 -218.70139 836.40948
2260.0000 -228.13008 -217.92571 10.20437 2.67646 -219.41084 810.68411
2265.0000 -229.48931 -221.32035 8.16896 2.64302 -220.09726 798.32061
2270.0000 -229.02710 -220.73651 8.29059 2.56211 -221.75790 732.81766
2275.0000 -228.80195 -218.99715 9.80480 2.64839 -219.98684 762.77385
2280.0000 -227.14355 -217.59908 9.54448 2.70693 -218.78535 810.73354
2285.0000 -230.76578 -221.53280 9.23297 2.68371 -219.26188 793.58931
2290.0000 -230.11357 -220.23772 9.87585 2.63561 -220.24918 788.90900
2295.0000 -230.75291 -221.38999 9.36292 2.61782 -220.61452 785.93180
2300.0000 -230.80551 -221.28740 9.51810 2.60418 -220.89442 764.68530
2305.0000 -231.18127 -220.94796 10.23332 2.59533 -221.07619 785.58203
2310.0000 -229.88380 -221.03988 8.84392 2.57628 -221.46721 750.62306
2315.0000 -230.30534 -221.86480 8.44054 2.55855 -221.83099 752.92511
2320.0000 -230.45822 -220.62691 9.83130 2.57573 -221.47832 742.94211
2325.0000 -230.25575 -220.31650 9.93925 2.61622 -220.64737 775.52925
2330.0000 -228.82692 -220.18532 8.64161 2.65942 -219.76051 815.64238
2335.0000 -228.79320 -218.24458 10.54861 2.68499 -219.23572 830.68442
2340.0000 -228.71898 -217.63967 11.07931 2.76897 -217.51180 861.87205
2345.0000 -229.23793 -218.54789 10.69004 2.71709 -218.57668 798.31834
2350.0000 -230.16516 -218.65087 11.51430 2.70196 -218.88727 844.95822
2355.0000 -228.27420 -218.35768 9.91653 2.68276 -219.28134 812.68851
2360.0000 -228.65853 -216.79328 11.86525 2.77881 -217.30980 873.78813
2365.0000 -229.50829 -220.19043 9.31787 2.75630 -217.77185 874.21136
2370.0000 -230.38397 -222.27378 8.11019 2.60065 -220.96692 794.64721
2375.0000 -229.90747 -220.02513 9.88234 2.59275 -221.12911 772.42957
2380.0000 -230.37635 -220.51690 9.85945 2.61031 -220.76867 776.66861
2385.0000 -229.08706 -219.31030 9.77677 2.65925 -219.76406 808.82421
2390.0000 -229.42974 -219.67611 9.75362 2.63031 -220.35807 774.48938
2395.0000 -227.63246 -218.88673 8.74573 2.69407 -219.04933 838.04398
2400.0000 -230.34766 -220.49586 9.85180 2.64212 -220.11570 797.55285
2405.0000 -229.60365 -220.20233 9.40132 2.62676 -220.43094 779.64760
2410.0000 -228.56660 -219.62168 8.94493 2.66112 -219.72560 813.92122
2415.0000 -229.19716 -218.80207 10.39509 2.69240 -219.08345 827.72027
2420.0000 -230.42502 -219.69321 10.73181 2.70214 -218.88367 807.38463
2425.0000 -230.03185 -220.77421 9.25763 2.64723 -220.01070 791.71329
2430.0000 -228.53956 -219.49276 9.04680 2.64149 -220.12854 789.86283
2435.0000 -230.59149 -220.45580 10.13570 2.62643 -220.43765 775.20620
2440.0000 -232.22102 -223.38697 8.83405 2.52940 -222.42952 721.09158
2445.0000 -231.69540 -223.60080 8.09460 2.49583 -223.11850 705.22517
2450.0000 -232.05408 -222.60272 9.45136 2.51712 -222.68153 725.62940
2455.0000 -230.21404 -220.35810 9.85595 2.59762 -221.02907 785.34023
2460.0000 -229.63336 -220.89276 8.74060 2.62233 -220.52188 777.20592
2465.0000 -229.43137 -218.57532 10.85605 2.65384 -219.87506 794.95191
2470.0000 -228.61078 -219.12976 9.48102 2.66541 -219.63763 803.80247
2475.0000 -229.09337 -219.61563 9.47774 2.66085 -219.73108 782.88572
2480.0000 -229.03649 -220.18826 8.84824 2.64285 -220.10069 790.95183
2485.0000 -229.93232 -220.72539 9.20693 2.60153 -220.94891 783.43780
2490.0000 -230.10625 -220.59732 9.50893 2.59625 -221.05714 772.08585
2495.0000 -228.11089 -218.76580 9.34509 2.62587 -220.44925 802.94481
2500.0000 -230.59773 -219.89449 10.70324 2.67583 -219.42378 818.45988
FREEZING PROCESS: loop number 11 T-loop= 783.00000000000000
main_MD> interactions number 11 at Temperature= 783.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15416 -1.52162 -0.40367
force_rgl> df(natom) -0.17521 0.31640 0.00153
2505.0000 -230.20050 -220.74137 9.45912 2.57964 -221.39812 768.91821
2510.0000 -230.33305 -221.73581 8.59724 2.59306 -221.12264 766.86461
2515.0000 -229.32321 -221.81290 7.51031 2.53256 -222.36447 719.22609
2520.0000 -229.46619 -220.40619 9.06000 2.64282 -220.10126 797.11064
2525.0000 -229.06131 -219.18557 9.87574 2.66825 -219.57921 811.56295
2530.0000 -230.31755 -220.03277 10.28478 2.71713 -218.57587 865.16167
2535.0000 -229.41707 -220.98477 8.43230 2.63254 -220.31225 799.81494
2540.0000 -229.02385 -218.01150 11.01235 2.66602 -219.62497 796.87524
2545.0000 -230.18040 -220.90703 9.27337 2.64440 -220.06887 790.54437
2550.0000 -232.35212 -224.30022 8.05190 2.51882 -222.64660 709.57713
2555.0000 -230.26031 -222.18521 8.07510 2.48982 -223.24193 694.04583
2560.0000 -229.61049 -220.62260 8.98789 2.56957 -221.60490 759.26348
2565.0000 -230.67439 -221.20555 9.46884 2.60656 -220.84555 796.11474
2570.0000 -230.64488 -220.92551 9.71937 2.59860 -221.00896 791.03932
2575.0000 -230.16351 -221.89399 8.26952 2.58000 -221.39074 770.90660
2580.0000 -228.85650 -218.95682 9.89968 2.60042 -220.97156 755.70873
2585.0000 -229.37537 -221.15302 8.22235 2.60363 -220.90571 767.66068
2590.0000 -229.97086 -219.10202 10.86884 2.57534 -221.48651 745.98598
2595.0000 -231.80891 -222.75553 9.05339 2.61862 -220.59799 761.18938
2600.0000 -230.45179 -221.51137 8.94041 2.56992 -221.59771 748.05102
2605.0000 -229.64467 -220.31987 9.32480 2.60815 -220.81299 782.90235
2610.0000 -230.02403 -221.12129 8.90274 2.61717 -220.62787 790.93933
2615.0000 -229.30439 -220.49262 8.81177 2.59908 -220.99915 762.78010
2620.0000 -231.44310 -220.72636 10.71674 2.58933 -221.19933 746.83474
2625.0000 -229.23921 -220.26437 8.97484 2.59863 -221.00835 765.93707
2630.0000 -229.99231 -219.58144 10.41088 2.64660 -220.02366 798.46859
2635.0000 -229.94759 -220.90269 9.04490 2.57895 -221.41240 771.00815
2640.0000 -232.51291 -223.52244 8.99047 2.58875 -221.21122 761.84867
2645.0000 -231.32335 -222.52936 8.79399 2.45817 -223.89152 683.41110
2650.0000 -231.89365 -222.60510 9.28856 2.52624 -222.49428 741.37570
2655.0000 -230.67055 -222.29583 8.37472 2.50130 -223.00616 703.13013
2660.0000 -230.62823 -222.04673 8.58150 2.56083 -221.78429 760.24276
2665.0000 -229.88544 -221.57222 8.31322 2.57595 -221.47385 777.59168
2670.0000 -230.41856 -222.70678 7.71178 2.53607 -222.29249 764.60581
2675.0000 -229.84582 -222.07065 7.77517 2.52374 -222.54565 711.27160
2680.0000 -229.59006 -220.96958 8.62048 2.56077 -221.78554 740.30011
2685.0000 -231.00791 -222.46009 8.54783 2.54509 -222.10737 717.26779
2690.0000 -230.35460 -221.41438 8.94023 2.54608 -222.08708 727.39886
2695.0000 -231.23470 -222.49240 8.74229 2.52207 -222.57989 739.58382
2700.0000 -230.43497 -221.92525 8.50972 2.50484 -222.93353 722.41911
2705.0000 -231.21173 -223.16938 8.04235 2.54163 -222.17832 754.51806
2710.0000 -232.64299 -223.82318 8.81981 2.43405 -224.38672 675.09213
2715.0000 -231.33163 -222.50992 8.82171 2.51151 -222.79673 743.76597
2720.0000 -231.22718 -222.88679 8.34039 2.49994 -223.03406 725.67696
2725.0000 -231.17324 -221.27287 9.90037 2.55027 -222.00101 755.08444
2730.0000 -230.90558 -221.29895 9.60663 2.55909 -221.82007 756.39380
2735.0000 -229.80225 -219.96331 9.83894 2.59123 -221.16019 748.14727
2740.0000 -229.00760 -220.17155 8.83605 2.62646 -220.43719 785.34572
2745.0000 -231.42324 -220.92375 10.49948 2.62957 -220.37329 804.31591
2750.0000 -231.21210 -222.20329 9.00881 2.54531 -222.10285 751.63979
FREEZING PROCESS: loop number 12 T-loop= 758.00000000000000
main_MD> interactions number 12 at Temperature= 758.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.73391 -2.42790 0.97760
force_rgl> df(natom) 0.96696 -1.03756 0.45540
2755.0000 -230.26616 -221.95231 8.31385 2.54871 -222.03300 752.71680
2760.0000 -230.67173 -220.97441 9.69733 2.58262 -221.33689 736.43909
2765.0000 -230.61440 -222.16104 8.45336 2.59802 -221.02084 764.61022
2770.0000 -230.69479 -222.71269 7.98210 2.52274 -222.56615 707.55565
2775.0000 -231.55027 -222.13739 9.41287 2.52433 -222.53350 707.16086
2780.0000 -231.06296 -221.32287 9.74009 2.61871 -220.59610 768.95549
2785.0000 -230.14089 -219.94468 10.19621 2.58551 -221.27776 775.82501
2790.0000 -229.19945 -220.11399 9.08546 2.67168 -219.50888 806.78189
2795.0000 -231.56801 -223.02430 8.54371 2.59504 -221.08197 754.44118
2800.0000 -231.79593 -221.13584 10.66010 2.55585 -221.88655 747.87361
2805.0000 -230.31858 -220.93961 9.37898 2.63111 -220.34154 782.50088
2810.0000 -229.53442 -219.74308 9.79134 2.66547 -219.63643 796.90563
2815.0000 -228.24646 -218.54411 9.70236 2.70750 -218.77367 804.66096
2820.0000 -229.87378 -221.80464 8.06914 2.61242 -220.72536 760.07699
2825.0000 -230.02819 -221.88405 8.14415 2.59306 -221.12271 764.05542
2830.0000 -228.71290 -219.73298 8.97992 2.64963 -219.96154 792.84482
2835.0000 -230.28531 -220.35655 9.92876 2.64380 -220.08118 799.86163
2840.0000 -230.92933 -220.56533 10.36399 2.61259 -220.72173 807.07294
2845.0000 -230.65840 -222.83647 7.82193 2.57280 -221.53855 737.68568
2850.0000 -231.97458 -222.92419 9.05039 2.52102 -222.60148 714.71922
2855.0000 -229.48090 -220.57926 8.90164 2.56682 -221.66125 743.36836
2860.0000 -233.57375 -225.37763 8.19612 2.50669 -222.89568 720.23502
2865.0000 -231.40274 -222.89017 8.51257 2.44672 -224.12651 668.04603
2870.0000 -231.19103 -222.79814 8.39289 2.53640 -222.28574 736.80280
2875.0000 -229.83922 -220.91902 8.92021 2.53941 -222.22391 712.23384
2880.0000 -228.80887 -219.43478 9.37409 2.59834 -221.01429 750.02921
2885.0000 -230.51575 -221.08377 9.43197 2.60668 -220.84319 758.79603
2890.0000 -229.11201 -219.58831 9.52370 2.60729 -220.83062 775.38707
2895.0000 -228.79925 -219.22263 9.57662 2.66690 -219.60694 813.22243
2900.0000 -229.20727 -219.54161 9.66566 2.69580 -219.01378 798.37733
2905.0000 -229.16288 -218.39808 10.76480 2.65303 -219.89164 777.20600
2910.0000 -230.18909 -220.37751 9.81157 2.65322 -219.88787 798.00512
2915.0000 -230.13103 -220.50106 9.62997 2.62393 -220.48906 775.80841
2920.0000 -230.40623 -220.26297 10.14326 2.62830 -220.39937 772.68828
2925.0000 -230.66068 -221.35252 9.30816 2.57650 -221.46253 749.08761
2930.0000 -229.65772 -220.76760 8.89012 2.62636 -220.43924 786.63050
2935.0000 -229.05956 -219.86650 9.19305 2.65842 -219.78100 791.90883
2940.0000 -230.39504 -221.16199 9.23305 2.61365 -220.70007 770.93354
2945.0000 -232.57566 -224.22849 8.34717 2.53497 -222.31519 735.07737
2950.0000 -229.65441 -220.67698 8.97742 2.50353 -222.96046 690.36001
2955.0000 -231.46075 -222.14577 9.31499 2.55162 -221.97342 754.91475
2960.0000 -230.48747 -221.82152 8.66595 2.57087 -221.57822 765.53974
2965.0000 -231.42995 -221.96459 9.46537 2.53999 -222.21214 754.11627
2970.0000 -230.26382 -221.55769 8.70613 2.55105 -221.98511 719.48334
2975.0000 -230.41695 -221.26555 9.15140 2.56630 -221.67205 719.39755
2980.0000 -229.45061 -219.76397 9.68664 2.63683 -220.22419 771.23719
2985.0000 -229.56571 -220.67434 8.89137 2.62952 -220.37426 772.91708
2990.0000 -229.26226 -220.46532 8.79694 2.63569 -220.24756 779.56118
2995.0000 -229.87524 -219.80014 10.07509 2.62813 -220.40281 806.48744
3000.0000 -231.05471 -222.16943 8.88528 2.59999 -220.98034 769.28946
FREEZING PROCESS: loop number 13 T-loop= 733.00000000000000
main_MD> interactions number 13 at Temperature= 733.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.00520 4.05110 2.38271
force_rgl> df(natom) 0.61977 -4.37783 -3.50695
3005.0000 -230.29799 -221.96127 8.33672 2.55893 -221.82320 729.77161
3010.0000 -230.81591 -222.41730 8.39861 2.53450 -222.32466 748.43817
3015.0000 -231.87285 -224.21133 7.66152 2.46502 -223.75087 677.80538
3020.0000 -231.17409 -221.72261 9.45147 2.52547 -222.51013 717.23174
3025.0000 -230.07294 -220.38304 9.68991 2.58064 -221.37768 751.08905
3030.0000 -230.71369 -223.02628 7.68741 2.56127 -221.77515 756.43236
3035.0000 -231.84245 -223.09524 8.74721 2.49270 -223.18275 711.43532
3040.0000 -231.06145 -222.91958 8.14187 2.49564 -223.12238 722.02135
3045.0000 -231.19725 -223.47618 7.72107 2.50161 -222.99979 687.81998
3050.0000 -231.76113 -223.35372 8.40741 2.46443 -223.76314 690.71247
3055.0000 -230.89909 -222.03898 8.86011 2.52078 -222.60640 717.39432
3060.0000 -231.32676 -222.43840 8.88836 2.54507 -222.10778 724.91711
3065.0000 -231.08886 -222.03013 9.05873 2.56390 -221.72134 738.17476
3070.0000 -231.39905 -223.75606 7.64299 2.53743 -222.26464 704.02821
3075.0000 -228.62304 -220.16969 8.45335 2.56645 -221.66886 748.50601
3080.0000 -231.47489 -222.15508 9.31982 2.61949 -220.58011 788.39153
3085.0000 -229.80323 -221.13589 8.66734 2.54208 -222.16906 729.83412
3090.0000 -231.01470 -222.00743 9.00727 2.55684 -221.86608 743.46603
3095.0000 -228.76691 -219.46946 9.29745 2.63447 -220.27258 783.87634
3100.0000 -229.17898 -220.18748 8.99150 2.66673 -219.61041 797.33356
3105.0000 -228.20640 -219.91874 8.28766 2.62816 -220.40224 760.38842
3110.0000 -230.11792 -221.81836 8.29956 2.62870 -220.39110 756.87674
3115.0000 -231.63893 -222.79576 8.84317 2.52033 -222.61552 710.17948
3120.0000 -230.15559 -221.96467 8.19092 2.54542 -222.10060 704.46400
3125.0000 -231.26913 -222.52502 8.74411 2.58430 -221.30251 774.72364
3130.0000 -230.77624 -221.94970 8.82654 2.56682 -221.66123 764.78429
3135.0000 -231.54907 -223.33257 8.21649 2.56839 -221.62909 747.26725
3140.0000 -232.37058 -223.86323 8.50735 2.51014 -222.82474 706.89542
3145.0000 -231.91751 -224.42587 7.49164 2.40616 -224.95921 653.59159
3150.0000 -232.28020 -223.33159 8.94861 2.46797 -223.69042 722.09703
3155.0000 -231.79112 -223.53080 8.26033 2.49006 -223.23697 719.67887
3160.0000 -231.35604 -223.57338 7.78266 2.49408 -223.15441 705.69463
3165.0000 -230.53760 -222.74108 7.79652 2.49071 -223.22371 685.24028
3170.0000 -230.92854 -221.56449 9.36405 2.54109 -222.18938 729.01871
3175.0000 -231.37612 -221.87601 9.50011 2.57290 -221.53648 754.59906
3180.0000 -230.57828 -221.46071 9.11757 2.57157 -221.56375 767.19638
3185.0000 -230.63810 -221.72255 8.91555 2.59377 -221.10819 760.82186
3190.0000 -231.37118 -222.82331 8.54787 2.54663 -222.07579 738.47793
3195.0000 -231.57833 -222.66800 8.91033 2.53160 -222.38427 722.00744
3200.0000 -230.29626 -221.44737 8.84889 2.55398 -221.92492 745.53197
3205.0000 -230.44429 -221.99892 8.44537 2.56134 -221.77381 764.15058
3210.0000 -231.32288 -222.26863 9.05426 2.57532 -221.48675 758.98238
3215.0000 -230.31758 -220.92008 9.39750 2.57065 -221.58268 754.99434
3220.0000 -232.41025 -223.05190 9.35836 2.52911 -222.43541 739.15404
3225.0000 -233.19882 -224.33234 8.86649 2.47347 -223.57751 678.49514
3230.0000 -232.24776 -224.11507 8.13269 2.46951 -223.65868 693.96453
3235.0000 -230.85334 -222.24982 8.60351 2.50505 -222.92926 722.70599
3240.0000 -230.67431 -220.90933 9.76498 2.56814 -221.63421 742.02511
3245.0000 -230.33818 -219.07920 11.25898 2.61350 -220.70314 766.75603
3250.0000 -230.78540 -222.88254 7.90286 2.60094 -220.96089 760.57710
FREEZING PROCESS: loop number 14 T-loop= 708.00000000000000
main_MD> interactions number 14 at Temperature= 708.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73960 -1.74113 -1.25068
force_rgl> df(natom) -2.51890 -1.94968 2.05363
3255.0000 -231.72763 -223.56165 8.16598 2.51945 -222.63375 695.70268
3260.0000 -231.51218 -223.05347 8.45871 2.48597 -223.32097 681.62744
3265.0000 -230.68805 -220.05302 10.63503 2.59101 -221.16467 751.62929
3270.0000 -231.07716 -222.93225 8.14492 2.59901 -221.00052 771.58477
3275.0000 -231.36976 -222.97744 8.39232 2.47975 -223.44867 697.28228
3280.0000 -230.65682 -222.94206 7.71476 2.52446 -222.53078 719.02340
3285.0000 -231.89849 -223.57886 8.31964 2.50703 -222.88862 673.64616
3290.0000 -228.96863 -221.80531 7.16332 2.54152 -222.18064 729.30748
3295.0000 -232.65198 -223.55505 9.09693 2.50059 -223.02078 692.93898
3300.0000 -231.72944 -223.63365 8.09579 2.49499 -223.13573 709.97525
3305.0000 -231.14057 -222.94153 8.19905 2.48494 -223.34196 700.98149
3310.0000 -231.78506 -223.21469 8.57037 2.46974 -223.65400 685.69602
3315.0000 -232.25413 -223.51691 8.73722 2.51031 -222.82134 712.43944
3320.0000 -232.43923 -224.61694 7.82228 2.42694 -224.53268 650.93090
3325.0000 -231.31877 -223.01391 8.30486 2.43311 -224.40595 651.01796
3330.0000 -230.82838 -223.26062 7.56776 2.49139 -223.20971 701.16878
3335.0000 -231.10285 -221.76477 9.33808 2.52686 -222.48149 719.01385
3340.0000 -230.61829 -221.65749 8.96081 2.54207 -222.16942 739.14505
3345.0000 -231.48288 -223.25846 8.22442 2.53379 -222.33937 707.42112
3350.0000 -233.01774 -224.47794 8.53979 2.48840 -223.27107 706.93572
3355.0000 -233.01109 -223.69680 9.31429 2.47597 -223.52608 673.48338
3360.0000 -232.14687 -223.94921 8.19766 2.46886 -223.67202 662.87004
3365.0000 -232.10108 -222.51845 9.58263 2.47855 -223.47316 692.11052
3370.0000 -230.91786 -223.65283 7.26504 2.50137 -223.00479 717.56079
3375.0000 -231.47282 -221.96282 9.50999 2.51080 -222.81124 696.57172
3380.0000 -229.96537 -222.01710 7.94827 2.54111 -222.18908 747.61486
3385.0000 -230.05212 -220.38624 9.66587 2.55026 -222.00129 762.60960
3390.0000 -229.47747 -219.98002 9.49745 2.65118 -219.92967 804.17241
3395.0000 -229.27855 -219.89680 9.38175 2.66044 -219.73961 795.08963
3400.0000 -230.69858 -221.60816 9.09042 2.55405 -221.92342 730.49345
3405.0000 -230.84740 -221.40277 9.44463 2.54791 -222.04940 732.14453
3410.0000 -230.27020 -221.33089 8.93930 2.61510 -220.67018 780.95624
3415.0000 -231.45332 -222.43359 9.01973 2.55284 -221.94833 737.21634
3420.0000 -231.47508 -223.58411 7.89097 2.46614 -223.72801 714.48280
3425.0000 -231.01020 -223.13957 7.87063 2.47072 -223.63386 685.27352
3430.0000 -231.42718 -222.24820 9.17898 2.50505 -222.92935 711.34610
3435.0000 -229.74304 -221.99504 7.74800 2.53636 -222.28665 720.84971
3440.0000 -231.65263 -223.87671 7.77592 2.48300 -223.38191 695.34227
3445.0000 -232.64337 -224.25439 8.38899 2.41852 -224.70544 665.67815
3450.0000 -230.19486 -222.39784 7.79701 2.47743 -223.49624 703.79819
3455.0000 -229.66028 -222.47019 7.19009 2.48525 -223.33561 685.44778
3460.0000 -231.03351 -222.32604 8.70747 2.56144 -221.77181 743.40477
3465.0000 -231.80090 -223.23318 8.56771 2.50273 -222.97680 690.39488
3470.0000 -232.61707 -223.81405 8.80301 2.49641 -223.10668 708.49390
3475.0000 -231.12715 -223.01884 8.10831 2.49865 -223.06063 694.88691
3480.0000 -231.61154 -222.74249 8.86905 2.50495 -222.93128 698.20325
3485.0000 -231.58173 -223.95217 7.62956 2.49685 -223.09754 699.00022
3490.0000 -231.87783 -223.16939 8.70844 2.49455 -223.14471 684.36812
3495.0000 -231.66706 -223.14093 8.52613 2.47673 -223.51051 697.45408
3500.0000 -232.32985 -223.26058 9.06927 2.47663 -223.51265 689.30762
FREEZING PROCESS: loop number 15 T-loop= 683.00000000000000
main_MD> interactions number 15 at Temperature= 683.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72575 -0.91630 0.21716
force_rgl> df(natom) -3.33955 2.31277 -1.22505
3505.0000 -232.29935 -223.29323 9.00612 2.46873 -223.67479 693.69152
3510.0000 -230.01373 -222.27520 7.73852 2.54663 -222.07583 736.45422
3515.0000 -231.26619 -223.37601 7.89018 2.51524 -222.72015 714.83667
3520.0000 -232.41465 -223.67971 8.73494 2.51516 -222.72163 718.03339
3525.0000 -231.08154 -221.77107 9.31048 2.50514 -222.92750 710.30599
3530.0000 -232.44189 -224.40264 8.03924 2.52306 -222.55966 727.05873
3535.0000 -233.55975 -226.27756 7.28219 2.40054 -225.07450 637.48733
3540.0000 -232.54182 -224.79868 7.74313 2.37198 -225.66081 621.66047
3545.0000 -233.12124 -225.01094 8.11031 2.39710 -225.14514 650.41281
3550.0000 -232.74554 -225.38717 7.35837 2.42583 -224.55537 681.69471
3555.0000 -232.22277 -223.16720 9.05558 2.44253 -224.21264 664.54158
3560.0000 -232.08210 -224.04447 8.03763 2.49325 -223.17140 705.94574
3565.0000 -230.12866 -222.98322 7.14545 2.47108 -223.62645 669.95232
3570.0000 -232.19230 -223.47109 8.72121 2.46282 -223.79607 686.06974
3575.0000 -231.74667 -224.30066 7.44601 2.41318 -224.81513 640.65946
3580.0000 -232.19180 -224.26017 7.93163 2.42201 -224.63388 665.67827
3585.0000 -232.49489 -224.61486 7.88003 2.43066 -224.45621 657.58928
3590.0000 -232.29465 -223.58245 8.71220 2.45911 -223.87230 659.42393
3595.0000 -232.41005 -223.42023 8.98982 2.45650 -223.92574 678.82488
3600.0000 -233.49025 -225.04607 8.44418 2.44524 -224.15693 668.72336
3605.0000 -232.13118 -223.91905 8.21213 2.42774 -224.51626 671.57601
3610.0000 -231.76833 -224.05988 7.70845 2.51398 -222.74593 711.69469
3615.0000 -232.56821 -224.51807 8.05014 2.42589 -224.55414 655.42594
3620.0000 -233.27402 -224.62082 8.65320 2.45134 -224.03175 697.67423
3625.0000 -233.51852 -226.25729 7.26123 2.38212 -225.45255 635.62439
3630.0000 -231.86373 -223.76161 8.10212 2.40717 -224.93849 646.32652
3635.0000 -232.40418 -224.38596 8.01822 2.47471 -223.55207 698.92991
3640.0000 -231.06844 -224.27805 6.79038 2.43427 -224.38222 653.63138
3645.0000 -232.73081 -223.84706 8.88375 2.45078 -224.04319 661.49222
3650.0000 -232.64179 -224.86456 7.77723 2.43497 -224.36770 668.20855
3655.0000 -231.40549 -223.88608 7.51942 2.43308 -224.40659 663.75467
3660.0000 -232.23386 -223.62925 8.60461 2.43444 -224.37875 679.35616
3665.0000 -231.52166 -223.46923 8.05243 2.46583 -223.73432 696.79996
3670.0000 -230.97338 -222.70687 8.26652 2.53559 -222.30234 729.36684
3675.0000 -231.60283 -223.23810 8.36473 2.48841 -223.27089 698.75359
3680.0000 -231.88024 -223.25394 8.62630 2.52243 -222.57247 724.48944
3685.0000 -230.67128 -223.27999 7.39129 2.49958 -223.04154 733.04447
3690.0000 -233.92160 -226.35523 7.56637 2.42963 -224.47740 682.31700
3695.0000 -232.25442 -223.99009 8.26434 2.39364 -225.21608 668.41494
3700.0000 -232.69925 -224.79130 7.90795 2.46053 -223.84307 692.64647
3705.0000 -232.32966 -224.43392 7.89574 2.39422 -225.20417 637.08509
3710.0000 -232.04579 -224.27532 7.77047 2.43781 -224.30940 673.58212
3715.0000 -232.92053 -225.63319 7.28734 2.43099 -224.44942 661.98051
3720.0000 -233.82158 -226.10820 7.71338 2.38140 -225.46744 664.36682
3725.0000 -233.12865 -225.09984 8.02881 2.39800 -225.12675 672.79110
3730.0000 -233.79746 -224.58798 9.20948 2.42745 -224.52213 649.76814
3735.0000 -232.21916 -223.85730 8.36186 2.42846 -224.50136 660.23844
3740.0000 -232.92239 -224.70211 8.22028 2.45232 -224.01171 684.06154
3745.0000 -230.00338 -223.31429 6.68909 2.44707 -224.11944 682.48860
3750.0000 -231.64964 -222.79353 8.85612 2.49243 -223.18839 678.62756
FREEZING PROCESS: loop number 16 T-loop= 658.00000000000000
main_MD> interactions number 16 at Temperature= 658.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.48323 -0.98308 -1.15541
force_rgl> df(natom) 0.12727 -1.80170 0.48523
3755.0000 -231.12599 -222.66715 8.45884 2.53316 -222.35220 720.69739
3760.0000 -231.84924 -223.77529 8.07395 2.46585 -223.73400 693.38305
3765.0000 -233.02386 -225.28417 7.73969 2.44215 -224.22033 668.68502
3770.0000 -232.66754 -224.59202 8.07551 2.39526 -225.18295 639.14305
3775.0000 -233.63051 -225.66798 7.96253 2.35490 -226.01140 610.54597
3780.0000 -231.19196 -224.30503 6.88694 2.43170 -224.43495 643.81731
3785.0000 -232.33495 -225.47587 6.85908 2.42405 -224.59197 647.67614
3790.0000 -231.94923 -224.85092 7.09831 2.39385 -225.21181 631.76239
3795.0000 -232.96557 -224.91064 8.05493 2.47873 -223.46961 694.44078
3800.0000 -232.24364 -224.28457 7.95907 2.41774 -224.72145 652.33185
3805.0000 -232.47074 -224.22136 8.24938 2.44164 -224.23081 672.40095
3810.0000 -232.75339 -224.28656 8.46684 2.43395 -224.38880 666.54829
3815.0000 -233.45448 -225.22656 8.22793 2.46749 -223.70028 688.11484
3820.0000 -232.44302 -224.50329 7.93973 2.42601 -224.55178 648.92413
3825.0000 -232.71291 -225.63392 7.07899 2.39459 -225.19669 628.89367
3830.0000 -230.69646 -222.62902 8.06744 2.47985 -223.44657 696.33066
3835.0000 -232.18623 -224.15709 8.02915 2.50571 -222.91580 713.49565
3840.0000 -232.37947 -224.22479 8.15468 2.50978 -222.83214 702.29190
3845.0000 -231.88423 -223.31649 8.56774 2.48221 -223.39801 669.93547
3850.0000 -231.01852 -222.48050 8.53801 2.50137 -223.00484 700.88433
3855.0000 -231.31112 -223.63808 7.67304 2.44520 -224.15785 658.85726
3860.0000 -233.78532 -225.12835 8.65696 2.43798 -224.30602 661.82425
3865.0000 -233.06814 -225.32070 7.74744 2.36490 -225.80614 634.81484
3870.0000 -232.67168 -224.83705 7.83463 2.38808 -225.33038 668.77158
3875.0000 -234.48788 -227.11047 7.37742 2.32952 -226.53243 633.39858
3880.0000 -233.91782 -226.23348 7.68434 2.31187 -226.89464 609.26217
3885.0000 -232.83427 -225.40086 7.43342 2.37643 -225.56948 618.17466
3890.0000 -232.40649 -224.07758 8.32890 2.39523 -225.18342 620.30958
3895.0000 -231.11991 -223.12071 7.99920 2.47483 -223.54962 677.54946
3900.0000 -231.04405 -222.95929 8.08476 2.51662 -222.69184 716.29716
3905.0000 -232.53249 -224.38914 8.14335 2.44282 -224.20659 658.70641
3910.0000 -231.67687 -223.72385 7.95302 2.42866 -224.49727 675.36485
3915.0000 -233.05238 -224.64515 8.40722 2.46169 -223.81940 674.80751
3920.0000 -231.33507 -224.55162 6.78345 2.41017 -224.87685 639.52376
3925.0000 -231.23033 -223.63250 7.59783 2.44221 -224.21924 663.33823
3930.0000 -231.95879 -224.13497 7.82382 2.43784 -224.30882 661.65932
3935.0000 -231.88916 -224.65089 7.23827 2.44819 -224.09633 668.42364
3940.0000 -232.10347 -224.44659 7.65688 2.43915 -224.28199 659.44107
3945.0000 -231.67841 -225.06390 6.61451 2.42533 -224.56565 651.43875
3950.0000 -233.63461 -226.00654 7.62807 2.39734 -225.14016 643.94532
3955.0000 -231.27640 -223.72458 7.55182 2.42653 -224.54112 651.08723
3960.0000 -232.56165 -223.85771 8.70394 2.45912 -223.87196 676.97780
3965.0000 -232.16364 -224.63071 7.53293 2.44949 -224.06966 671.33772
3970.0000 -232.69151 -223.63644 9.05507 2.40137 -225.05752 642.32198
3975.0000 -233.52626 -225.02653 8.49973 2.44461 -224.16998 662.24064
3980.0000 -233.90702 -224.57312 9.33390 2.40583 -224.96590 654.56458
3985.0000 -231.40920 -224.07990 7.32930 2.43360 -224.39587 683.47646
3990.0000 -234.02201 -226.56753 7.45448 2.37635 -225.57099 644.27446
3995.0000 -232.59059 -225.48198 7.10861 2.39842 -225.11799 650.29592
4000.0000 -234.29692 -226.88582 7.41109 2.34333 -226.24879 604.25732
FREEZING PROCESS: loop number 17 T-loop= 633.00000000000000
main_MD> interactions number 17 at Temperature= 633.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25176 1.60981 -1.67351
force_rgl> df(natom) 0.62324 0.14169 -2.57334
4005.0000 -233.15498 -225.68237 7.47260 2.36346 -225.83556 648.75488
4010.0000 -234.06463 -225.71768 8.34695 2.39742 -225.13853 692.58913
4015.0000 -233.18704 -224.98436 8.20268 2.38953 -225.30057 674.15346
4020.0000 -234.06626 -226.48887 7.57739 2.35702 -225.96787 625.22554
4025.0000 -232.50296 -224.27499 8.22797 2.37852 -225.52653 635.31257
4030.0000 -232.26713 -224.74625 7.52089 2.43328 -224.40253 675.77913
4035.0000 -233.13180 -225.05410 8.07770 2.41894 -224.69692 663.05870
4040.0000 -233.41310 -225.93828 7.47481 2.37260 -225.64812 611.30385
4045.0000 -233.99016 -226.41693 7.57323 2.35676 -225.97317 607.93471
4050.0000 -232.64459 -224.53738 8.10721 2.38491 -225.39540 636.86047
4055.0000 -231.63425 -224.68907 6.94518 2.40934 -224.89398 654.72114
4060.0000 -233.23881 -225.13931 8.09950 2.39503 -225.18768 642.78897
4065.0000 -232.22297 -225.43822 6.78475 2.36048 -225.89680 623.62025
4070.0000 -230.99767 -223.56954 7.42813 2.44713 -224.11812 670.98432
4075.0000 -233.54851 -224.14654 9.40197 2.47252 -223.59709 701.12251
4080.0000 -233.62244 -224.74936 8.87308 2.47192 -223.60936 700.47864
4085.0000 -232.59855 -224.09554 8.50301 2.42482 -224.57605 685.81512
4090.0000 -232.23269 -223.98557 8.24712 2.48089 -223.42519 696.47746
4095.0000 -234.63091 -226.89200 7.73891 2.40973 -224.88578 648.81044
4100.0000 -234.43195 -227.26574 7.16621 2.31392 -226.85255 604.48071
4105.0000 -233.15271 -225.42953 7.72319 2.35877 -225.93201 610.16768
4110.0000 -232.61299 -224.90761 7.70538 2.44951 -224.06936 664.72395
4115.0000 -233.20637 -224.18247 9.02390 2.42799 -224.51104 669.42129
4120.0000 -232.17981 -224.34951 7.83030 2.42644 -224.54288 665.81801
4125.0000 -232.55752 -225.58643 6.97110 2.40510 -224.98088 649.21318
4130.0000 -231.86647 -225.25963 6.60685 2.41163 -224.84679 634.93332
4135.0000 -233.98106 -225.87774 8.10332 2.36773 -225.74799 620.59255
4140.0000 -233.27852 -225.73592 7.54259 2.33764 -226.36557 603.95239
4145.0000 -232.92766 -226.06941 6.85825 2.37074 -225.68621 628.56148
4150.0000 -231.67718 -224.18590 7.49128 2.40756 -224.93048 639.93910
4155.0000 -232.11945 -225.23609 6.88335 2.42646 -224.54243 663.26773
4160.0000 -235.04202 -225.99331 9.04871 2.37157 -225.66923 640.81178
4165.0000 -234.03869 -227.02677 7.01192 2.31360 -226.85904 602.67058
4170.0000 -231.90187 -224.69259 7.20928 2.39733 -225.14030 628.66526
4175.0000 -234.16017 -226.11827 8.04190 2.37227 -225.65483 604.29724
4180.0000 -232.52945 -225.43201 7.09744 2.39141 -225.26185 653.84314
4185.0000 -233.28448 -224.86745 8.41702 2.42301 -224.61337 660.06589
4190.0000 -232.73919 -224.93860 7.80059 2.39159 -225.25824 641.08589
4195.0000 -232.17948 -224.87574 7.30374 2.38239 -225.44712 626.78701
4200.0000 -232.43221 -225.41006 7.02215 2.39251 -225.23934 638.64053
4205.0000 -234.27510 -226.83655 7.43856 2.36895 -225.72304 634.64936
4210.0000 -233.68770 -226.40813 7.27957 2.31476 -226.83532 606.28061
4215.0000 -233.93245 -226.14688 7.78558 2.33173 -226.48690 625.47541
4220.0000 -233.95603 -226.78260 7.17343 2.30429 -227.05019 584.06726
4225.0000 -235.33504 -227.97847 7.35657 2.30389 -227.05846 594.61609
4230.0000 -233.86963 -226.92709 6.94255 2.28641 -227.41729 586.83784
4235.0000 -233.59681 -226.26867 7.32814 2.31802 -226.76836 599.34569
4240.0000 -233.35963 -226.56216 6.79747 2.35175 -226.07608 636.54751
4245.0000 -233.87048 -226.17784 7.69263 2.37156 -225.66947 632.04397
4250.0000 -234.24426 -226.88313 7.36113 2.32540 -226.61699 606.71480
FREEZING PROCESS: loop number 18 T-loop= 608.00000000000000
main_MD> interactions number 18 at Temperature= 608.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.36430 2.66563 -0.08675
force_rgl> df(natom) 2.32029 0.77787 -0.38692
4255.0000 -235.41111 -228.71090 6.70021 2.27132 -227.72706 583.97168
4260.0000 -234.83206 -228.86216 5.96989 2.21817 -228.81794 536.20948
4265.0000 -234.93144 -226.96164 7.96981 2.25446 -228.07303 584.94586
4270.0000 -234.19151 -226.75008 7.44143 2.29781 -227.18327 605.57106
4275.0000 -232.77231 -224.61140 8.16091 2.33044 -226.51346 624.52460
4280.0000 -232.08744 -223.90183 8.18561 2.45899 -223.87465 703.10846
4285.0000 -234.65299 -225.24791 9.40508 2.40401 -225.00319 677.76547
4290.0000 -234.69435 -227.84027 6.85408 2.31888 -226.75078 629.42254
4295.0000 -234.48786 -227.44227 7.04559 2.29715 -227.19682 606.11572
4300.0000 -234.07982 -227.22816 6.85167 2.29718 -227.19619 581.97408
4305.0000 -233.67851 -226.67480 7.00371 2.30190 -227.09931 597.08769
4310.0000 -233.59068 -226.45827 7.13241 2.37226 -225.65508 625.63406
4315.0000 -233.34705 -225.48885 7.85820 2.38960 -225.29917 621.02743
4320.0000 -233.23039 -224.66671 8.56368 2.41241 -224.83084 654.39474
4325.0000 -231.90921 -223.76237 8.14684 2.41331 -224.81232 665.87419
4330.0000 -234.14563 -226.46574 7.67989 2.39655 -225.15647 661.62255
4335.0000 -233.52781 -225.88063 7.64717 2.35679 -225.97257 635.36000
4340.0000 -234.60692 -228.14584 6.46108 2.34129 -226.29069 623.65585
4345.0000 -236.25220 -228.20708 8.04512 2.24746 -228.21671 584.27010
4350.0000 -233.36103 -226.13702 7.22401 2.29464 -227.24835 617.07230
4355.0000 -234.78270 -226.83185 7.95085 2.36293 -225.84645 663.99153
4360.0000 -235.42589 -229.03134 6.39454 2.26467 -227.86343 567.93094
4365.0000 -235.35049 -229.18856 6.16194 2.19259 -229.34303 546.85974
4370.0000 -234.42587 -227.86102 6.56485 2.24249 -228.31872 561.84103
4375.0000 -235.31853 -228.42139 6.89714 2.27365 -227.67926 587.31691
4380.0000 -233.50951 -227.25702 6.25250 2.28923 -227.35940 570.30243
4385.0000 -233.57106 -226.94934 6.62172 2.30565 -227.02224 605.21351
4390.0000 -234.70060 -227.79603 6.90457 2.29686 -227.20265 574.03768
4395.0000 -235.71993 -228.12597 7.59396 2.26070 -227.94508 552.20430
4400.0000 -235.13777 -228.80703 6.33074 2.24340 -228.30001 559.72049
4405.0000 -234.09345 -226.77715 7.31630 2.28170 -227.51402 586.18587
4410.0000 -234.98054 -227.52068 7.45986 2.28447 -227.45702 593.10782
4415.0000 -234.00090 -226.50843 7.49247 2.29690 -227.20187 581.71827
4420.0000 -233.92185 -226.75446 7.16739 2.30684 -226.99791 587.63007
4425.0000 -234.19301 -226.75741 7.43560 2.33796 -226.35910 605.15904
4430.0000 -234.30902 -226.81274 7.49628 2.31447 -226.84126 599.09723
4435.0000 -233.23448 -226.36301 6.87147 2.31359 -226.85933 589.71082
4440.0000 -234.27142 -226.63444 7.63698 2.34939 -226.12455 628.59862
4445.0000 -234.22224 -226.83649 7.38575 2.33317 -226.45740 619.38392
4450.0000 -235.04033 -228.26142 6.77891 2.24157 -228.33769 550.32960
4455.0000 -234.01732 -227.20863 6.80869 2.29002 -227.34312 577.36658
4460.0000 -233.21158 -226.40221 6.80936 2.32225 -226.68155 599.77241
4465.0000 -234.74823 -226.85885 7.88938 2.29808 -227.17771 592.33759
4470.0000 -233.99824 -227.47361 6.52463 2.29819 -227.17545 605.89593
4475.0000 -233.76391 -227.00610 6.75782 2.31360 -226.85908 572.08740
4480.0000 -233.05304 -226.27774 6.77531 2.30745 -226.98532 595.12741
4485.0000 -233.13992 -225.68619 7.45373 2.38337 -225.42705 654.55313
4490.0000 -233.76139 -226.30213 7.45926 2.35201 -226.07077 637.73729
4495.0000 -234.40644 -227.65895 6.74749 2.29249 -227.29246 596.99171
4500.0000 -235.64653 -228.42270 7.22383 2.26011 -227.95716 582.96418
FREEZING PROCESS: loop number 19 T-loop= 583.00000000000000
main_MD> interactions number 19 at Temperature= 583.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39528 -1.02884 0.21190
force_rgl> df(natom) -2.65999 1.87410 1.64401
4505.0000 -234.12890 -227.66271 6.46620 2.23884 -228.39380 539.55575
4510.0000 -234.40175 -227.06818 7.33357 2.28476 -227.45113 566.16983
4515.0000 -234.84094 -226.83205 8.00889 2.31899 -226.74847 593.25302
4520.0000 -235.37312 -228.81253 6.56060 2.23919 -228.38644 551.29245
4525.0000 -234.49003 -226.52727 7.96276 2.24649 -228.23676 560.86804
4530.0000 -234.72118 -226.77907 7.94211 2.31084 -226.91582 600.48811
4535.0000 -234.97913 -229.14840 5.83073 2.28124 -227.52332 572.26351
4540.0000 -234.74754 -227.71404 7.03350 2.20489 -229.09066 528.26408
4545.0000 -233.98019 -226.66305 7.31714 2.27398 -227.67241 580.07589
4550.0000 -233.71876 -225.23339 8.48537 2.35180 -226.07502 631.97509
4555.0000 -233.74551 -225.76669 7.97882 2.39100 -225.27024 642.26656
4560.0000 -233.73404 -226.79203 6.94201 2.29434 -227.25447 593.29706
4565.0000 -234.71162 -226.74475 7.96686 2.31776 -226.77370 593.58943
4570.0000 -234.42063 -227.33049 7.09014 2.27684 -227.61376 580.57488
4575.0000 -234.02978 -227.07717 6.95261 2.28309 -227.48545 583.11178
4580.0000 -233.84424 -226.83437 7.00987 2.31789 -226.77101 606.69214
4585.0000 -232.82312 -225.64645 7.17668 2.36227 -225.86002 650.45329
4590.0000 -234.73184 -226.31146 8.42039 2.35620 -225.98461 617.95718
4595.0000 -234.06123 -225.74729 8.31393 2.33291 -226.46267 596.68580
4600.0000 -232.06073 -225.56472 6.49602 2.35208 -226.06931 627.59803
4605.0000 -233.94458 -226.81605 7.12853 2.34563 -226.20159 620.48951
4610.0000 -234.52550 -227.64821 6.87729 2.27665 -227.61758 558.42870
4615.0000 -234.33812 -227.13804 7.20008 2.27626 -227.62557 586.82081
4620.0000 -232.25566 -225.31152 6.94415 2.34910 -226.13050 600.79138
4625.0000 -234.35649 -226.78867 7.56781 2.34213 -226.27349 602.33302
4630.0000 -233.64340 -225.70947 7.93393 2.31760 -226.77708 592.22889
4635.0000 -233.86267 -225.70327 8.15940 2.36068 -225.89280 625.84785
4640.0000 -235.19790 -228.22473 6.97317 2.30828 -226.96839 597.78546
4645.0000 -234.00430 -226.74329 7.26101 2.29213 -227.29980 590.37676
4650.0000 -233.74348 -226.85231 6.89117 2.30298 -227.07716 589.37774
4655.0000 -232.88475 -225.91250 6.97225 2.37096 -225.68169 630.12780
4660.0000 -233.96792 -226.48538 7.48254 2.32817 -226.56002 612.87034
4665.0000 -235.31344 -228.47196 6.84148 2.30511 -227.03338 615.00858
4670.0000 -235.53891 -229.10968 6.42923 2.24714 -228.22335 551.39921
4675.0000 -234.34869 -228.14348 6.20521 2.24795 -228.20678 549.41558
4680.0000 -234.26617 -227.83654 6.42963 2.25572 -228.04723 561.78205
4685.0000 -235.17026 -228.20735 6.96291 2.25994 -227.96059 570.72378
4690.0000 -234.69401 -227.55504 7.13898 2.27184 -227.71624 579.38469
4695.0000 -235.27688 -229.17019 6.10669 2.24944 -228.17619 564.69129
4700.0000 -235.91353 -227.94943 7.96410 2.23502 -228.47218 549.63878
4705.0000 -234.23102 -227.15477 7.07625 2.29181 -227.30642 594.81270
4710.0000 -234.70431 -228.65547 6.04884 2.26495 -227.85766 562.71047
4715.0000 -233.36483 -227.22811 6.13672 2.23458 -228.48123 540.02464
4720.0000 -233.18167 -226.84937 6.33229 2.29766 -227.18633 580.39265
4725.0000 -233.61256 -226.98764 6.62492 2.31162 -226.89975 589.93227
4730.0000 -234.18234 -226.72908 7.45326 2.32267 -226.67286 599.92585
4735.0000 -234.56871 -227.78912 6.77959 2.26642 -227.82755 568.12570
4740.0000 -235.99110 -229.19664 6.79446 2.23955 -228.37906 569.46036
4745.0000 -236.23854 -230.26085 5.97769 2.16369 -229.93628 527.61140
4750.0000 -235.74115 -229.23615 6.50500 2.22967 -228.58196 601.42084
FREEZING PROCESS: loop number 20 T-loop= 558.00000000000000
main_MD> interactions number 20 at Temperature= 558.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.99249 1.73324 1.80679
force_rgl> df(natom) 0.15920 0.16312 -0.68572
4755.0000 -236.74849 -229.81774 6.93075 2.16884 -229.83053 565.78470
4760.0000 -235.53174 -229.00789 6.52385 2.16531 -229.90310 546.13783
4765.0000 -236.26525 -229.34169 6.92355 2.18197 -229.56111 540.94827
4770.0000 -234.15482 -227.58217 6.57265 2.25018 -228.16096 562.78195
4775.0000 -234.77930 -228.47668 6.30262 2.25869 -227.98622 553.95999
4780.0000 -234.00006 -227.96155 6.03851 2.22175 -228.74459 523.34191
4785.0000 -234.40362 -228.24390 6.15973 2.22957 -228.58391 545.05027
4790.0000 -233.95814 -227.31111 6.64703 2.25014 -228.16173 551.64086
4795.0000 -235.08030 -228.50184 6.57845 2.23735 -228.42432 553.69358
4800.0000 -236.69284 -230.01862 6.67422 2.17352 -229.73458 536.14980
4805.0000 -236.01061 -228.75197 7.25864 2.21691 -228.84378 555.38989
4810.0000 -235.52835 -228.37718 7.15117 2.20931 -228.99981 566.74210
4815.0000 -235.89511 -229.35831 6.53681 2.20875 -229.01132 552.59691
4820.0000 -235.86027 -229.55022 6.31004 2.20981 -228.98962 552.07916
4825.0000 -233.95584 -227.51247 6.44337 2.26556 -227.84531 569.83673
4830.0000 -235.60407 -228.58413 7.01994 2.23182 -228.53779 542.01861
4835.0000 -234.16246 -227.56131 6.60116 2.25841 -227.99207 564.76137
4840.0000 -234.63973 -226.96045 7.67928 2.26965 -227.76131 578.58522
4845.0000 -235.45411 -229.18370 6.27041 2.24423 -228.28296 554.37611
4850.0000 -234.23701 -227.69962 6.53739 2.23205 -228.53304 548.98289
4855.0000 -235.20970 -228.04645 7.16325 2.26972 -227.75980 573.88759
4860.0000 -235.38253 -228.49758 6.88496 2.24344 -228.29937 544.21967
4865.0000 -236.00414 -228.90823 7.09591 2.23982 -228.37356 560.07016
4870.0000 -234.84874 -228.44050 6.40823 2.22725 -228.63168 551.10325
4875.0000 -233.63909 -227.14605 6.49304 2.26862 -227.78247 575.97054
4880.0000 -235.30036 -227.69956 7.60080 2.27709 -227.60860 570.41149
4885.0000 -234.42366 -227.24520 7.17846 2.25696 -228.02167 549.96080
4890.0000 -234.77803 -227.77603 7.00200 2.28462 -227.45403 580.64124
4895.0000 -234.50014 -226.86155 7.63859 2.27970 -227.55501 588.80178
4900.0000 -234.75667 -228.01080 6.74587 2.27530 -227.64533 583.55127
4905.0000 -236.36042 -230.13210 6.22832 2.18036 -229.59419 513.38065
4910.0000 -236.78874 -229.97099 6.81775 2.14059 -230.41056 497.49573
4915.0000 -235.05123 -228.96680 6.08443 2.17983 -229.60493 524.72915
4920.0000 -235.79902 -228.43716 7.36185 2.20054 -229.17987 548.12448
4925.0000 -234.79106 -227.96324 6.82782 2.25036 -228.15715 590.31761
4930.0000 -233.88458 -226.80698 7.07760 2.27434 -227.66499 588.70607
4935.0000 -234.05039 -228.39371 5.65668 2.26245 -227.90899 585.89907
4940.0000 -235.90385 -228.97424 6.92962 2.22242 -228.73079 576.96548
4945.0000 -235.74195 -229.74983 5.99212 2.20019 -229.18713 537.55071
4950.0000 -235.79647 -229.04174 6.75473 2.18805 -229.43622 553.44719
4955.0000 -235.01947 -228.18037 6.83911 2.20540 -229.08014 554.70423
4960.0000 -235.82463 -229.18753 6.63711 2.22299 -228.71905 547.10759
4965.0000 -235.59782 -228.87606 6.72177 2.18518 -229.49511 523.09834
4970.0000 -235.99084 -229.61634 6.37450 2.20328 -229.12360 531.59763
4975.0000 -234.69198 -228.86195 5.83003 2.21348 -228.91422 545.77477
4980.0000 -235.34602 -228.93154 6.41448 2.24415 -228.28468 560.88778
4985.0000 -235.11295 -228.62218 6.49077 2.21951 -228.79048 542.75428
4990.0000 -233.72298 -226.64278 7.08020 2.27506 -227.65016 566.64861
4995.0000 -235.59617 -228.37156 7.22461 2.30237 -227.08973 585.04127
5000.0000 -234.86462 -227.62393 7.24069 2.25662 -228.02865 564.39765
FREEZING PROCESS: loop number 21 T-loop= 533.00000000000000
main_MD> interactions number 21 at Temperature= 533.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15713 4.81443 -1.07089
force_rgl> df(natom) -1.40059 -0.64503 -1.62182
5005.0000 -234.14442 -227.01996 7.12446 2.28646 -227.41628 570.19888
5010.0000 -234.84063 -227.76499 7.07564 2.27411 -227.66972 566.05363
5015.0000 -234.90872 -228.72025 6.18848 2.22213 -228.73663 522.04983
5020.0000 -233.76011 -226.79908 6.96103 2.26631 -227.82988 531.88722
5025.0000 -235.37730 -227.98982 7.38748 2.29341 -227.27352 570.34777
5030.0000 -234.31503 -228.46442 5.85061 2.24330 -228.30217 531.91132
5035.0000 -235.33020 -229.12532 6.20488 2.22643 -228.64854 528.27681
5040.0000 -234.93157 -228.06332 6.86824 2.21757 -228.83024 535.46153
5045.0000 -234.65568 -226.32491 8.33077 2.28093 -227.52970 580.12530
5050.0000 -234.83246 -228.26433 6.56814 2.28725 -227.39998 564.42415
5055.0000 -235.43438 -228.70372 6.73066 2.26668 -227.82214 549.97302
5060.0000 -235.30154 -229.10384 6.19770 2.20232 -229.14343 514.35553
5065.0000 -236.15677 -229.16879 6.98797 2.20255 -229.13869 532.02355
5070.0000 -234.01936 -227.40721 6.61215 2.24000 -228.36994 535.35757
5075.0000 -234.26093 -227.03671 7.22422 2.33047 -226.51275 590.81339
5080.0000 -233.76025 -226.68805 7.07220 2.29479 -227.24518 571.77435
5085.0000 -233.47968 -227.46537 6.01431 2.28835 -227.37750 553.39726
5090.0000 -235.46375 -228.70211 6.76164 2.23292 -228.51513 541.36366
5095.0000 -235.19775 -228.10891 7.08884 2.24766 -228.21274 550.33641
5100.0000 -235.54475 -228.51866 7.02609 2.28690 -227.40709 586.57398
5105.0000 -235.06483 -228.62934 6.43549 2.25375 -228.08766 563.24383
5110.0000 -235.15717 -228.81329 6.34388 2.22237 -228.73177 511.23574
5115.0000 -236.21270 -229.31970 6.89301 2.23218 -228.53041 546.82768
5120.0000 -236.31388 -230.63010 5.68379 2.15346 -230.14625 490.63156
5125.0000 -236.66280 -229.66936 6.99344 2.15954 -230.02145 503.60785
5130.0000 -236.25737 -229.49600 6.76137 2.18762 -229.44505 536.21763
5135.0000 -235.73172 -230.21437 5.51735 2.18929 -229.41091 542.62262
5140.0000 -235.66588 -229.34999 6.31589 2.16681 -229.87235 547.32392
5145.0000 -235.81646 -229.09191 6.72455 2.20945 -228.99691 576.84694
5150.0000 -236.11144 -229.18515 6.92629 2.17070 -229.79243 554.89118
5155.0000 -236.69873 -229.86812 6.83061 2.16805 -229.84682 528.88376
5160.0000 -236.24178 -229.84080 6.40098 2.16250 -229.96068 509.78902
5165.0000 -235.43533 -228.92841 6.50692 2.16756 -229.85676 522.76251
5170.0000 -235.40017 -229.86252 5.53766 2.19204 -229.35443 539.03016
5175.0000 -236.33330 -230.74245 5.59085 2.11958 -230.84177 485.78477
5180.0000 -234.32421 -228.04344 6.28077 2.21632 -228.85593 551.46061
5185.0000 -236.48454 -230.22945 6.25509 2.18135 -229.57383 524.04566
5190.0000 -237.10514 -231.19722 5.90792 2.14737 -230.27128 497.76478
5195.0000 -235.58798 -229.96775 5.62024 2.16794 -229.84908 515.70982
5200.0000 -236.23620 -230.84593 5.39027 2.17576 -229.68845 524.02785
5205.0000 -236.46730 -230.43770 6.02960 2.12794 -230.67020 494.41654
5210.0000 -236.18410 -229.59700 6.58710 2.15361 -230.14329 513.69299
5215.0000 -235.89474 -229.19873 6.69601 2.17799 -229.64275 532.37912
5220.0000 -235.21933 -229.34084 5.87849 2.19311 -229.33235 533.57886
5225.0000 -237.44100 -231.87089 5.57011 2.13879 -230.44735 499.13122
5230.0000 -236.57502 -229.99357 6.58145 2.12206 -230.79078 492.35170
5235.0000 -236.87964 -230.69890 6.18074 2.14613 -230.29672 502.64421
5240.0000 -236.36829 -229.60281 6.76548 2.18872 -229.42255 531.68662
5245.0000 -235.96099 -229.06362 6.89737 2.19348 -229.32485 529.35296
5250.0000 -235.25410 -228.73589 6.51821 2.22161 -228.74737 546.81550
FREEZING PROCESS: loop number 22 T-loop= 508.00000000000000
main_MD> interactions number 22 at Temperature= 508.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85428 1.37138 0.47961
force_rgl> df(natom) 2.28934 0.35786 2.05243
5255.0000 -235.28064 -228.83433 6.44631 2.21161 -228.95264 524.43723
5260.0000 -235.33890 -229.56601 5.77289 2.19348 -229.32471 503.34779
5265.0000 -235.71442 -229.71168 6.00274 2.17342 -229.73655 502.90451
5270.0000 -235.95565 -229.69503 6.26062 2.19342 -229.32610 503.44353
5275.0000 -236.23117 -229.94691 6.28426 2.16970 -229.81289 505.79487
5280.0000 -234.49281 -228.83545 5.65736 2.17750 -229.65278 506.96311
5285.0000 -235.98126 -229.92534 6.05592 2.19294 -229.33584 518.49082
5290.0000 -235.20000 -228.76082 6.43917 2.17844 -229.63351 514.74568
5295.0000 -235.46413 -229.15911 6.30502 2.21827 -228.81597 533.43343
5300.0000 -235.78271 -229.95621 5.82650 2.19876 -229.21651 529.94106
5305.0000 -236.79511 -230.54020 6.25490 2.12430 -230.74487 495.80879
5310.0000 -236.23233 -230.86918 5.36315 2.10816 -231.07608 496.53773
5315.0000 -236.66005 -231.99858 4.66148 2.11635 -230.90797 492.07129
5320.0000 -236.80861 -230.35888 6.44974 2.09988 -231.24621 485.18211
5325.0000 -236.94528 -231.32372 5.62155 2.09934 -231.25714 480.59281
5330.0000 -236.25074 -230.85522 5.39553 2.14868 -230.24450 520.44799
5335.0000 -238.28500 -231.60492 6.68008 2.10047 -231.23408 497.14620
5340.0000 -236.56650 -230.65777 5.90873 2.10396 -231.16246 510.51477
5345.0000 -236.29535 -229.18955 7.10580 2.16263 -229.95799 549.31738
5350.0000 -236.56061 -229.87622 6.68438 2.18854 -229.42629 545.63934
5355.0000 -236.74203 -230.21282 6.52920 2.14423 -230.33579 533.65244
5360.0000 -237.26073 -230.79273 6.46800 2.13425 -230.54066 524.33814
5365.0000 -237.40608 -231.48549 5.92059 2.09844 -231.27577 493.64918
5370.0000 -238.66525 -232.00385 6.66140 2.08124 -231.62872 501.92598
5375.0000 -237.44533 -231.44268 6.00265 2.07189 -231.82057 496.17765
5380.0000 -238.25628 -232.25947 5.99681 2.06267 -232.00987 482.22942
5385.0000 -236.96916 -231.35382 5.61533 2.06550 -231.95192 493.51816
5390.0000 -237.48388 -230.93870 6.54517 2.09495 -231.34730 492.65938
5395.0000 -237.31400 -231.57394 5.74006 2.08559 -231.53941 471.27072
5400.0000 -236.72614 -230.87205 5.85409 2.08933 -231.46271 483.23717
5405.0000 -236.67924 -231.15746 5.52178 2.09666 -231.31222 494.97816
5410.0000 -237.69599 -231.96603 5.72997 2.09689 -231.30739 497.89799
5415.0000 -237.89789 -231.41618 6.48171 2.06341 -231.99467 476.51788
5420.0000 -236.15047 -229.96622 6.18426 2.13482 -230.52893 532.93970
5425.0000 -237.89545 -231.06859 6.82686 2.13503 -230.52455 530.97032
5430.0000 -236.65337 -230.54654 6.10683 2.09407 -231.36530 500.30535
5435.0000 -237.26924 -231.89836 5.37088 2.09730 -231.29912 504.59910
5440.0000 -237.28045 -231.26574 6.01471 2.08431 -231.56569 484.54398
5445.0000 -237.67933 -232.51933 5.16001 2.09108 -231.42671 506.30179
5450.0000 -236.36912 -230.41488 5.95424 2.09548 -231.33635 497.78886
5455.0000 -237.44224 -231.25521 6.18703 2.11803 -230.87363 521.14019
5460.0000 -237.39888 -231.33149 6.06739 2.11911 -230.85137 524.24931
5465.0000 -237.30229 -232.23961 5.06268 2.07385 -231.78050 490.73782
5470.0000 -237.55983 -232.26213 5.29770 2.04627 -232.34664 472.19652
5475.0000 -237.52208 -231.60656 5.91551 2.05436 -232.18059 475.58050
5480.0000 -237.40781 -231.43459 5.97322 2.11085 -231.02083 511.37223
5485.0000 -236.98706 -230.78861 6.19845 2.09950 -231.25392 502.53484
5490.0000 -237.30114 -231.19109 6.11005 2.09724 -231.30024 493.72429
5495.0000 -237.57879 -231.78312 5.79567 2.07844 -231.68626 484.56742
5500.0000 -237.58230 -231.11819 6.46411 2.09227 -231.40237 476.40917
FREEZING PROCESS: loop number 23 T-loop= 483.00000000000000
main_MD> interactions number 23 at Temperature= 483.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.30276 1.57515 1.99857
force_rgl> df(natom) 0.09771 0.00397 -1.32192
5505.0000 -237.11526 -230.90144 6.21382 2.11050 -231.02803 493.57671
5510.0000 -237.50484 -231.94495 5.55989 2.11252 -230.98666 508.58803
5515.0000 -237.97728 -232.41689 5.56039 2.04280 -232.41780 451.13542
5520.0000 -236.44009 -230.25744 6.18264 2.13459 -230.53372 515.48085
5525.0000 -237.25240 -231.34171 5.91068 2.12691 -230.69133 512.76286
5530.0000 -237.16835 -231.42142 5.74693 2.07997 -231.65472 489.18813
5535.0000 -236.61150 -230.42697 6.18452 2.11324 -230.97196 496.95029
5540.0000 -236.13002 -229.67903 6.45098 2.14437 -230.33280 515.94956
5545.0000 -237.48057 -230.62046 6.86011 2.15019 -230.21342 531.72646
5550.0000 -237.00559 -231.71501 5.29058 2.10477 -231.14577 512.64580
5555.0000 -237.86058 -232.23927 5.62131 2.02930 -232.69499 454.63516
5560.0000 -237.91074 -232.40848 5.50227 2.06330 -231.99701 485.40800
5565.0000 -238.14126 -232.68359 5.45768 2.04656 -232.34057 475.01366
5570.0000 -237.88508 -232.44178 5.44330 2.01507 -232.98690 453.38201
5575.0000 -238.19964 -232.02064 6.17901 2.03115 -232.65692 463.62660
5580.0000 -237.50821 -230.89647 6.61173 2.07262 -231.80562 491.45634
5585.0000 -237.74659 -231.61547 6.13112 2.09715 -231.30212 517.67969
5590.0000 -238.07761 -232.39508 5.68253 2.04326 -232.40829 471.83763
5595.0000 -237.84060 -232.30848 5.53211 2.04305 -232.41258 472.96477
5600.0000 -237.54187 -231.57052 5.97134 2.07984 -231.65739 491.86644
5605.0000 -237.73147 -231.28999 6.44149 2.08854 -231.47888 497.29326
5610.0000 -238.81344 -233.35777 5.45566 2.05147 -232.23982 481.40566
5615.0000 -238.13450 -231.94156 6.19294 2.00362 -233.22200 441.52331
5620.0000 -237.64273 -232.16965 5.47307 2.04948 -232.28076 473.99761
5625.0000 -237.79167 -231.84718 5.94449 2.04579 -232.35641 468.60535
5630.0000 -237.55204 -231.12184 6.43020 2.12585 -230.71294 522.82483
5635.0000 -237.16651 -231.14758 6.01893 2.09190 -231.41002 492.75993
5640.0000 -238.08183 -232.68691 5.39492 2.09149 -231.41823 498.40421
5645.0000 -236.44371 -231.03349 5.41022 2.07936 -231.66732 492.74432
5650.0000 -237.33277 -231.20935 6.12343 2.10826 -231.07417 507.99224
5655.0000 -237.70129 -232.54116 5.16013 2.06751 -231.91066 481.06874
5660.0000 -236.74277 -231.84289 4.89988 2.04833 -232.30423 460.30413
5665.0000 -238.00806 -232.77138 5.23668 2.06119 -232.04034 454.55854
5670.0000 -237.11003 -232.37539 4.73464 2.03398 -232.59889 447.37464
5675.0000 -237.47858 -231.36782 6.11077 2.07528 -231.75115 481.58763
5680.0000 -237.90370 -231.60066 6.30304 2.09028 -231.44316 493.40730
5685.0000 -238.70907 -232.86928 5.83979 2.05228 -232.22319 475.62016
5690.0000 -238.88742 -233.08553 5.80189 2.02104 -232.86453 453.61062
5695.0000 -238.14791 -232.94899 5.19893 2.03417 -232.59496 459.97277
5700.0000 -237.31007 -232.02469 5.28538 2.03601 -232.55712 472.60744
5705.0000 -237.03577 -231.52884 5.50693 2.05004 -232.26911 487.68544
5710.0000 -238.08616 -231.92146 6.16469 2.07902 -231.67430 518.76234
5715.0000 -239.18888 -233.01459 6.17429 2.03081 -232.66390 482.04118
5720.0000 -238.77445 -233.44135 5.33310 2.00620 -233.16904 466.09435
5725.0000 -239.58369 -234.01878 5.56492 1.96625 -233.98914 438.47485
5730.0000 -238.44732 -232.98461 5.46271 2.01983 -232.88920 472.03846
5735.0000 -239.00098 -232.46884 6.53214 2.02012 -232.88334 479.91965
5740.0000 -238.87097 -232.41598 6.45499 2.03121 -232.65572 479.26858
5745.0000 -237.17473 -231.49813 5.67660 2.07420 -231.77326 503.35008
5750.0000 -239.21668 -232.83691 6.37977 2.03285 -232.62207 484.47183
FREEZING PROCESS: loop number 24 T-loop= 458.00000000000000
main_MD> interactions number 24 at Temperature= 458.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.12805 -1.11946 -1.81590
force_rgl> df(natom) 2.62700 -2.90072 -3.07600
5755.0000 -239.18980 -233.75532 5.43448 1.98680 -233.56736 458.93691
5760.0000 -238.81342 -233.55169 5.26174 1.96244 -234.06727 436.41700
5765.0000 -238.58276 -233.07357 5.50919 1.97740 -233.76021 446.08795
5770.0000 -238.89192 -233.52496 5.36696 2.02169 -232.85105 480.68766
5775.0000 -239.79558 -234.32917 5.46642 1.97195 -233.87211 441.67928
5780.0000 -239.38479 -233.01573 6.36907 1.97287 -233.85312 444.46964
5785.0000 -238.17096 -233.23479 4.93618 2.01748 -232.93756 473.38450
5790.0000 -239.10359 -233.64124 5.46235 1.99533 -233.39210 457.51587
5795.0000 -237.77750 -232.27741 5.50009 2.01659 -232.95588 464.18181
5800.0000 -238.08184 -232.56085 5.52099 2.02824 -232.71663 464.84916
5805.0000 -238.14180 -231.72522 6.41659 2.04688 -232.33406 489.56411
5810.0000 -238.00872 -231.68780 6.32092 2.06728 -231.91533 501.93045
5815.0000 -238.29557 -232.33533 5.96024 2.05555 -232.15614 491.03925
5820.0000 -238.63326 -232.66475 5.96850 2.02768 -232.72823 473.14049
5825.0000 -237.99229 -232.91895 5.07334 2.02736 -232.73463 476.56716
5830.0000 -238.08731 -232.90054 5.18677 2.01771 -232.93278 468.88544
5835.0000 -238.55689 -232.83589 5.72100 2.02145 -232.85596 463.36051
5840.0000 -239.67857 -233.48766 6.19091 1.98715 -233.56002 441.38802
5845.0000 -237.19232 -232.18265 5.00967 2.01653 -232.95707 461.41463
5850.0000 -237.32829 -231.95411 5.37418 2.05799 -232.10590 485.57468
5855.0000 -237.59395 -230.98661 6.60735 2.06718 -231.91734 496.46009
5860.0000 -237.65142 -232.49936 5.15207 2.06225 -232.01854 487.24600
5865.0000 -237.05993 -231.22261 5.83733 2.07070 -231.84504 481.17700
5870.0000 -236.67397 -231.22534 5.44864 2.05831 -232.09932 473.74022
5875.0000 -237.18188 -231.46398 5.71790 2.06385 -231.98574 477.55700
5880.0000 -237.62808 -232.02532 5.60276 2.08945 -231.46028 481.72735
5885.0000 -238.50465 -232.70886 5.79578 2.04727 -232.32608 480.50919
5890.0000 -239.25698 -233.91853 5.33845 1.99905 -233.31593 444.59367
5895.0000 -238.63863 -232.93528 5.70335 1.97267 -233.85723 423.11328
5900.0000 -238.54141 -232.90540 5.63601 1.99755 -233.34652 439.48582
5905.0000 -239.56149 -233.77470 5.78679 2.00497 -233.19422 449.55964
5910.0000 -238.16892 -232.61348 5.55544 2.00784 -233.13532 447.72701
5915.0000 -238.21680 -232.70618 5.51062 2.03750 -232.52661 478.42907
5920.0000 -238.90786 -233.50316 5.40470 2.00311 -233.23257 447.59747
5925.0000 -238.13185 -232.72366 5.40819 2.04078 -232.45922 469.75089
5930.0000 -239.23975 -233.47701 5.76274 1.99817 -233.33390 442.25389
5935.0000 -238.40386 -233.24754 5.15632 2.00771 -233.13799 452.34600
5940.0000 -238.12181 -232.83412 5.28769 2.02753 -232.73129 464.08506
5945.0000 -238.25476 -233.01465 5.24012 2.00644 -233.16420 445.07878
5950.0000 -239.16139 -233.31854 5.84285 1.98792 -233.54429 436.98746
5955.0000 -238.76226 -233.17504 5.58721 2.00235 -233.24801 450.63566
5960.0000 -238.52022 -232.84456 5.67566 1.99864 -233.32420 451.03459
5965.0000 -237.89058 -231.54735 6.34323 2.05835 -232.09852 485.81600
5970.0000 -238.21249 -232.78324 5.42925 2.05412 -232.18533 483.36133
5975.0000 -238.99472 -233.86009 5.13464 1.98128 -233.68052 435.54029
5980.0000 -237.93847 -232.49362 5.44485 1.99413 -233.41675 443.68945
5985.0000 -238.74055 -233.55369 5.18686 2.03666 -232.54382 472.54071
5990.0000 -238.61429 -233.23937 5.37492 2.00013 -233.29370 445.91543
5995.0000 -238.75407 -232.42963 6.32444 2.01309 -233.02768 456.96014
6000.0000 -238.55006 -233.20556 5.34450 2.05095 -232.25053 479.61062
FREEZING PROCESS: loop number 25 T-loop= 433.00000000000000
main_MD> interactions number 25 at Temperature= 433.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10440 1.10467 0.60904
force_rgl> df(natom) 0.81515 1.29362 1.59213
6005.0000 -239.18524 -233.52442 5.66082 2.00022 -233.29178 443.04074
6010.0000 -238.14605 -233.28768 4.85837 1.98305 -233.64433 432.20836
6015.0000 -238.75179 -234.43641 4.31537 1.97171 -233.87694 420.18256
6020.0000 -239.22273 -234.32845 4.89428 1.94933 -234.33651 412.13078
6025.0000 -238.58611 -233.94905 4.63706 1.97798 -233.74839 427.15455
6030.0000 -237.74452 -232.34632 5.39819 2.01828 -232.92105 460.40969
6035.0000 -238.16459 -232.72562 5.43897 2.05980 -232.06881 495.40325
6040.0000 -239.31720 -234.08901 5.22819 2.00688 -233.15520 449.09908
6045.0000 -239.50445 -234.36883 5.13562 1.96182 -234.08010 424.48140
6050.0000 -239.40862 -234.36365 5.04496 1.96591 -233.99616 424.18300
6055.0000 -238.58677 -232.94420 5.64257 1.95623 -234.19474 407.31962
6060.0000 -239.27887 -233.64135 5.63752 1.98042 -233.69826 423.97715
6065.0000 -238.89049 -233.36680 5.52369 1.96965 -233.91936 425.96064
6070.0000 -239.56241 -234.20364 5.35876 1.95872 -234.14373 424.53588
6075.0000 -239.50999 -234.77148 4.73852 1.93551 -234.62020 405.22539
6080.0000 -239.50028 -234.85856 4.64172 1.93209 -234.69038 405.58174
6085.0000 -239.37219 -234.05297 5.31922 1.93455 -234.63972 408.82322
6090.0000 -239.59813 -234.46574 5.13239 1.98134 -233.67941 445.56725
6095.0000 -238.89273 -233.64529 5.24745 1.96600 -233.99416 429.08096
6100.0000 -238.83856 -233.42551 5.41305 1.98474 -233.60964 443.05488
6105.0000 -238.26123 -233.72979 4.53144 1.95471 -234.22591 425.61816
6110.0000 -239.27974 -234.23651 5.04323 1.96846 -233.94380 431.55559
6115.0000 -238.51646 -234.01813 4.49833 1.94948 -234.33342 418.01146
6120.0000 -239.78427 -234.03848 5.74580 1.94483 -234.42883 410.75868
6125.0000 -239.30729 -234.27785 5.02945 1.97434 -233.82310 433.94436
6130.0000 -238.87650 -234.18045 4.69605 1.97134 -233.88465 435.32112
6135.0000 -239.77162 -234.79352 4.97810 1.94041 -234.51945 413.66028
6140.0000 -238.37937 -232.48912 5.89025 1.97865 -233.73466 442.04124
6145.0000 -239.21225 -233.80744 5.40480 2.00673 -233.15828 460.02342
6150.0000 -239.30595 -233.94900 5.35696 1.97656 -233.77746 439.82759
6155.0000 -239.10509 -234.02999 5.07510 1.95814 -234.15560 416.50800
6160.0000 -238.46923 -233.96864 4.50059 1.97402 -233.82953 436.89507
6165.0000 -239.10270 -233.95436 5.14834 1.96340 -234.04761 431.25183
6170.0000 -238.91344 -233.52015 5.39329 1.97454 -233.81891 432.65517
6175.0000 -239.05967 -234.05560 5.00407 1.98767 -233.54933 442.65086
6180.0000 -238.66086 -233.96233 4.69853 1.96261 -234.06385 426.21105
6185.0000 -239.16785 -234.46340 4.70446 1.96148 -234.08698 426.87259
6190.0000 -239.29298 -234.87786 4.41512 1.93421 -234.64670 403.27459
6195.0000 -239.54179 -234.89839 4.64339 1.91452 -235.05105 390.50461
6200.0000 -239.69074 -234.97697 4.71377 1.93561 -234.61804 401.07911
6205.0000 -239.49183 -234.71997 4.77186 1.92848 -234.76440 394.82162
6210.0000 -239.46828 -234.28502 5.18326 1.95737 -234.17143 420.31891
6215.0000 -239.39743 -233.74753 5.64990 1.96950 -233.92248 433.26862
6220.0000 -239.68626 -233.90712 5.77914 1.96097 -234.09760 431.92120
6225.0000 -239.35070 -233.87159 5.47911 1.99514 -233.39601 455.53249
6230.0000 -239.67012 -234.64459 5.02553 1.96389 -234.03754 431.62119
6235.0000 -240.02982 -234.62516 5.40466 1.90672 -235.21110 389.77229
6240.0000 -239.94764 -234.65737 5.29027 1.93241 -234.68370 405.55150
6245.0000 -239.44482 -234.05390 5.39092 1.95399 -234.24068 419.69710
6250.0000 -238.40059 -233.08468 5.31591 2.00071 -233.28180 456.91038
FREEZING PROCESS: loop number 26 T-loop= 408.00000000000000
main_MD> interactions number 26 at Temperature= 408.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40740 -2.22140 0.69372
force_rgl> df(natom) -1.46168 -1.91857 1.89653
6255.0000 -238.78315 -233.93828 4.84487 1.97680 -233.77249 434.03644
6260.0000 -239.73282 -233.87800 5.85482 1.94984 -234.32588 415.85042
6265.0000 -239.34525 -233.37613 5.96912 1.97057 -233.90051 437.63494
6270.0000 -239.33106 -234.31020 5.02086 1.97974 -233.71213 444.13169
6275.0000 -239.47491 -234.50406 4.97084 1.95285 -234.26411 419.82106
6280.0000 -240.10503 -235.35497 4.75006 1.90969 -235.15005 389.07146
6285.0000 -239.80734 -235.26867 4.53868 1.89133 -235.52707 372.07812
6290.0000 -239.88947 -234.97307 4.91640 1.90862 -235.17206 386.23755
6295.0000 -239.82549 -235.18251 4.64298 1.91084 -235.12640 389.32606
6300.0000 -239.81638 -235.13021 4.68617 1.93829 -234.56295 406.77541
6305.0000 -239.40554 -234.81061 4.59494 1.93268 -234.67813 403.38233
6310.0000 -239.95267 -234.49993 5.45274 1.94180 -234.49102 415.51715
6315.0000 -239.20771 -234.38979 4.81792 1.92119 -234.91411 398.16719
6320.0000 -239.90940 -234.26483 5.64457 1.94041 -234.51954 408.04262
6325.0000 -239.16976 -234.28819 4.88157 1.92364 -234.86377 387.74009
6330.0000 -238.78413 -233.84685 4.93728 1.96323 -234.05103 415.15843
6335.0000 -238.88958 -233.78179 5.10779 2.00150 -233.26550 445.68290
6340.0000 -239.45020 -234.55603 4.89416 1.93487 -234.63334 401.83671
6345.0000 -240.05300 -234.68801 5.36500 1.94786 -234.36664 413.99500
6350.0000 -239.47837 -234.56292 4.91545 1.94995 -234.32374 415.59520
6355.0000 -238.62580 -233.41669 5.20911 1.96340 -234.04761 421.04870
6360.0000 -239.31457 -233.74547 5.56910 1.95120 -234.29800 418.71858
6365.0000 -238.39410 -233.50510 4.88900 1.96824 -233.94826 425.76933
6370.0000 -239.24552 -233.93992 5.30560 1.97196 -233.87186 425.59798
6375.0000 -239.06747 -234.48070 4.58676 1.96423 -234.03065 430.23187
6380.0000 -239.21478 -234.19451 5.02028 1.93537 -234.62306 392.44335
6385.0000 -239.36044 -234.47373 4.88671 1.92778 -234.77877 394.59273
6390.0000 -239.60119 -235.03393 4.56726 1.91732 -234.99352 396.24018
6395.0000 -239.82715 -234.51302 5.31413 1.93614 -234.60718 407.45862
6400.0000 -238.74076 -234.03547 4.70530 1.94576 -234.40973 413.67303
6405.0000 -240.14975 -235.34975 4.80000 1.93533 -234.62385 408.93902
6410.0000 -239.83457 -235.04677 4.78781 1.92660 -234.80310 396.97601
6415.0000 -240.14926 -235.67257 4.47669 1.91194 -235.10402 387.23825
6420.0000 -239.91097 -235.10138 4.80959 1.89812 -235.38768 379.50445
6425.0000 -240.16762 -234.49441 5.67321 1.92669 -234.80116 399.78939
6430.0000 -239.76925 -234.45966 5.30958 1.93138 -234.70483 403.32494
6435.0000 -239.71496 -234.86468 4.85028 1.92103 -234.91743 395.99360
6440.0000 -239.60853 -234.73243 4.87611 1.92506 -234.83471 398.51369
6445.0000 -239.16218 -234.45650 4.70568 1.95353 -234.25017 422.14779
6450.0000 -239.22322 -233.23004 5.99318 1.96215 -234.07325 426.39478
6455.0000 -239.03829 -234.58702 4.45127 1.96946 -233.92332 432.92037
6460.0000 -239.44622 -234.51210 4.93412 1.93284 -234.67493 405.90967
6465.0000 -239.63904 -234.23363 5.40541 1.93981 -234.53186 414.14688
6470.0000 -239.76377 -234.60899 5.15479 1.94220 -234.48272 413.08214
6475.0000 -239.65417 -234.76059 4.89358 1.95052 -234.31193 417.31943
6480.0000 -240.17610 -234.93290 5.24320 1.93265 -234.67872 402.43327
6485.0000 -239.61797 -234.81702 4.80094 1.92907 -234.75235 403.17266
6490.0000 -240.04974 -235.47800 4.57174 1.92742 -234.78624 391.96277
6495.0000 -240.06831 -235.29112 4.77719 1.88937 -235.56717 367.94202
6500.0000 -239.17384 -234.15854 5.01530 1.93206 -234.69090 401.20637
FREEZING PROCESS: loop number 27 T-loop= 383.00000000000000
main_MD> interactions number 27 at Temperature= 383.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74559 -0.68907 1.05244
force_rgl> df(natom) -1.94610 1.69585 1.66767
6505.0000 -239.86826 -235.72280 4.14546 1.92910 -234.75175 394.67646
6510.0000 -240.10440 -235.62372 4.48068 1.90059 -235.33686 374.36760
6515.0000 -240.00776 -234.23565 5.77210 1.91265 -235.08937 387.68092
6520.0000 -240.33749 -234.43257 5.90492 1.96755 -233.96245 426.98633
6525.0000 -239.74335 -235.46956 4.27379 1.90523 -235.24161 378.72955
6530.0000 -240.40392 -235.90005 4.50387 1.89723 -235.40582 372.43238
6535.0000 -239.94381 -235.91473 4.02908 1.86987 -235.96740 353.19293
6540.0000 -239.84627 -235.36754 4.47873 1.89061 -235.54174 363.03149
6545.0000 -240.81158 -236.27026 4.54132 1.89297 -235.49326 370.21584
6550.0000 -238.98549 -234.41274 4.57276 1.89315 -235.48971 372.39601
6555.0000 -239.32124 -234.48323 4.83801 1.94558 -234.41346 412.02874
6560.0000 -239.37482 -234.90567 4.46914 1.93790 -234.57098 398.52927
6565.0000 -240.49072 -235.22221 5.26852 1.92349 -234.86677 389.04348
6570.0000 -239.62764 -234.93053 4.69711 1.92329 -234.87088 391.53514
6575.0000 -239.87612 -235.03173 4.84439 1.91912 -234.95647 389.34659
6580.0000 -239.76444 -234.89190 4.87253 1.91353 -235.07120 387.92339
6585.0000 -239.49501 -233.64599 5.84903 1.94148 -234.49753 405.04206
6590.0000 -239.93130 -235.53848 4.39282 1.90449 -235.25683 391.20008
6595.0000 -240.00288 -235.07088 4.93199 1.88756 -235.60428 384.92380
6600.0000 -239.30473 -235.05804 4.24669 1.89594 -235.43240 387.69866
6605.0000 -240.20975 -235.40867 4.80107 1.92053 -234.92750 402.44107
6610.0000 -240.40371 -235.54370 4.86001 1.87936 -235.77277 372.14556
6615.0000 -240.03148 -234.86451 5.16697 1.90569 -235.23220 393.10607
6620.0000 -239.96731 -234.96078 5.00653 1.90557 -235.23461 390.35819
6625.0000 -240.00862 -234.81162 5.19700 1.92327 -234.87140 405.75668
6630.0000 -240.00654 -235.65329 4.35325 1.88979 -235.55860 386.41771
6635.0000 -240.09748 -235.45508 4.64240 1.91890 -234.96103 404.37598
6640.0000 -240.09734 -236.16412 3.93321 1.88216 -235.71521 376.10917
6645.0000 -240.44661 -235.10808 5.33853 1.88490 -235.65893 375.22071
6650.0000 -240.20087 -234.94733 5.25354 1.90096 -235.32935 376.81048
6655.0000 -240.58518 -236.63196 3.95322 1.87792 -235.80215 365.32867
6660.0000 -239.56403 -234.97229 4.59174 1.89226 -235.50799 379.90192
6665.0000 -239.97597 -235.42410 4.55187 1.93254 -234.68108 414.83942
6670.0000 -239.88809 -234.97088 4.91721 1.88878 -235.57933 378.64338
6675.0000 -240.54894 -236.05448 4.49445 1.91176 -235.10772 394.11159
6680.0000 -240.02908 -236.26568 3.76340 1.86176 -236.13398 358.09386
6685.0000 -239.75274 -235.02548 4.72726 1.87658 -235.82967 368.29539
6690.0000 -240.45689 -235.76105 4.69584 1.88084 -235.74232 375.05903
6695.0000 -240.14261 -235.10970 5.03291 1.92030 -234.93240 401.58926
6700.0000 -240.12424 -235.90020 4.22404 1.90016 -235.34565 387.50640
6705.0000 -240.73708 -235.64924 5.08784 1.90042 -235.34048 383.95025
6710.0000 -240.01477 -235.75770 4.25707 1.88697 -235.61639 377.74279
6715.0000 -239.94512 -235.68043 4.26469 1.89317 -235.48931 375.84781
6720.0000 -240.17456 -235.20633 4.96823 1.91648 -235.01068 399.69571
6725.0000 -240.62699 -235.54532 5.08167 1.89480 -235.45566 381.60787
6730.0000 -240.45636 -235.99680 4.45956 1.88127 -235.73345 372.48794
6735.0000 -240.52567 -236.38335 4.14232 1.84107 -236.55873 340.60474
6740.0000 -240.48862 -236.40844 4.08018 1.85943 -236.18177 355.01335
6745.0000 -240.63644 -235.00853 5.62792 1.88061 -235.74705 372.38705
6750.0000 -239.50676 -234.70976 4.79699 1.91300 -235.08212 394.84801
FREEZING PROCESS: loop number 28 T-loop= 358.00000000000000
main_MD> interactions number 28 at Temperature= 358.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07158 0.49301 -0.26394
force_rgl> df(natom) -0.27115 -0.11256 0.37077
6755.0000 -240.78752 -236.37685 4.41067 1.87716 -235.81775 369.16223
6760.0000 -240.67192 -236.09553 4.57638 1.85038 -236.36753 348.17042
6765.0000 -240.70128 -236.45094 4.25035 1.84408 -236.49683 348.59587
6770.0000 -240.45909 -236.29000 4.16908 1.85647 -236.24253 354.38179
6775.0000 -240.23653 -236.47130 3.76522 1.85512 -236.27023 349.70859
6780.0000 -239.04800 -234.90754 4.14046 1.89528 -235.44591 385.54903
6785.0000 -238.68178 -234.28925 4.39254 1.92176 -234.90239 402.94111
6790.0000 -240.30441 -235.53182 4.77259 1.91517 -235.03755 401.53148
6795.0000 -240.48921 -235.55767 4.93154 1.89274 -235.49801 380.64990
6800.0000 -240.44637 -236.31612 4.13025 1.88948 -235.56501 377.32103
6805.0000 -241.07975 -237.34865 3.73109 1.84512 -236.47550 345.27951
6810.0000 -240.76083 -236.50888 4.25196 1.83761 -236.62975 338.14017
6815.0000 -240.59239 -236.11265 4.47974 1.86017 -236.16658 355.84486
6820.0000 -240.86868 -237.36071 3.50796 1.82518 -236.88483 329.12336
6825.0000 -239.74660 -235.69492 4.05168 1.84592 -236.45912 343.51918
6830.0000 -240.65235 -235.93029 4.72205 1.87551 -235.85181 365.61847
6835.0000 -240.15492 -235.72376 4.43116 1.86966 -235.97177 361.74994
6840.0000 -239.82927 -235.51105 4.31822 1.88263 -235.70546 371.31134
6845.0000 -240.35817 -235.78340 4.57476 1.88398 -235.67794 374.35620
6850.0000 -240.20247 -236.11068 4.09178 1.87478 -235.86660 367.22858
6855.0000 -240.57204 -236.39968 4.17236 1.84959 -236.38377 350.50819
6860.0000 -240.44735 -236.37854 4.06881 1.85939 -236.18271 356.76705
6865.0000 -240.45688 -236.36702 4.08986 1.85264 -236.32109 350.98877
6870.0000 -240.51689 -235.94930 4.56759 1.87753 -235.81023 371.06122
6875.0000 -240.86930 -236.44607 4.42323 1.86340 -236.10023 358.31394
6880.0000 -240.92678 -237.07594 3.85084 1.81852 -237.02153 322.34818
6885.0000 -239.90401 -235.83963 4.06438 1.83979 -236.58494 339.19213
6890.0000 -239.69433 -235.49668 4.19765 1.88835 -235.58808 377.60194
6895.0000 -240.27565 -235.56310 4.71254 1.88268 -235.70458 373.10693
6900.0000 -239.94542 -235.62444 4.32098 1.87449 -235.87256 368.76771
6905.0000 -240.19182 -235.96732 4.22450 1.87861 -235.78802 370.84035
6910.0000 -240.87034 -236.67209 4.19825 1.84250 -236.52926 344.27191
6915.0000 -240.43106 -235.99492 4.43613 1.85715 -236.22858 352.17521
6920.0000 -240.45661 -235.60606 4.85055 1.88638 -235.62852 375.86900
6925.0000 -240.65468 -236.25076 4.40392 1.86328 -236.10269 361.55864
6930.0000 -240.40846 -236.51714 3.89132 1.84890 -236.39789 347.19846
6935.0000 -241.12538 -236.92500 4.20038 1.83675 -236.64739 334.21973
6940.0000 -241.08826 -236.83865 4.24960 1.83990 -236.58267 338.69004
6945.0000 -241.09139 -236.77523 4.31616 1.83957 -236.58939 339.37252
6950.0000 -240.20593 -236.38222 3.82371 1.84162 -236.54732 341.79178
6955.0000 -240.80771 -236.10218 4.70553 1.85588 -236.25462 351.74481
6960.0000 -240.08815 -235.26579 4.82236 1.86481 -236.07127 359.15373
6965.0000 -240.20332 -235.44527 4.75805 1.89690 -235.41259 385.62430
6970.0000 -240.31018 -235.67678 4.63340 1.87315 -235.90023 364.96964
6975.0000 -240.44799 -235.92672 4.52127 1.89885 -235.37256 389.37348
6980.0000 -239.86821 -235.14623 4.72198 1.87747 -235.81148 374.48736
6985.0000 -240.53328 -236.05912 4.47416 1.88606 -235.63518 374.76442
6990.0000 -240.99464 -236.72617 4.26848 1.84085 -236.56323 339.76864
6995.0000 -240.61359 -236.31230 4.30129 1.85141 -236.34645 347.83358
7000.0000 -240.42758 -235.90475 4.52284 1.85168 -236.34080 352.31582
FREEZING PROCESS: loop number 29 T-loop= 333.00000000000000
main_MD> interactions number 29 at Temperature= 333.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70848 0.75674 1.04522
force_rgl> df(natom) -0.26088 2.07279 1.64405
7005.0000 -240.25116 -236.51270 3.73846 1.84884 -236.39908 347.67718
7010.0000 -241.33646 -237.28181 4.05465 1.81351 -237.12441 318.55075
7015.0000 -241.30188 -237.60440 3.69749 1.81497 -237.09450 321.41902
7020.0000 -240.73772 -236.74790 3.98982 1.81061 -237.18399 318.30406
7025.0000 -240.43761 -236.62218 3.81543 1.84160 -236.54770 340.84800
7030.0000 -240.48394 -236.42816 4.05578 1.84623 -236.45275 344.51069
7035.0000 -240.37500 -236.99549 3.37951 1.84859 -236.40423 336.43825
7040.0000 -240.40795 -235.95788 4.45007 1.86719 -236.02256 353.26854
7045.0000 -240.80506 -237.08065 3.72441 1.83153 -236.75457 331.13450
7050.0000 -240.93132 -236.77937 4.15194 1.81151 -237.16537 321.55686
7055.0000 -241.12541 -237.42493 3.70048 1.81390 -237.11628 318.86188
7060.0000 -241.31447 -237.11172 4.20275 1.80956 -237.20541 318.21143
7065.0000 -240.28336 -236.05809 4.22526 1.83454 -236.69273 336.00329
7070.0000 -240.80202 -236.59051 4.21151 1.86692 -236.02796 362.44344
7075.0000 -240.57474 -236.52118 4.05356 1.82530 -236.88240 331.29096
7080.0000 -240.92378 -237.09433 3.82946 1.83726 -236.63680 344.10652
7085.0000 -240.73875 -236.75101 3.98775 1.82025 -236.98609 325.97947
7090.0000 -240.81818 -236.84432 3.97386 1.82908 -236.80473 331.97795
7095.0000 -240.28980 -235.96372 4.32609 1.85791 -236.21303 350.87660
7100.0000 -240.61450 -236.57662 4.03788 1.85751 -236.22115 353.64453
7105.0000 -240.18013 -235.86252 4.31760 1.84919 -236.39198 349.06710
7110.0000 -239.85364 -235.79059 4.06305 1.86359 -236.09645 350.91439
7115.0000 -240.25757 -235.65232 4.60525 1.87338 -235.89543 356.06718
7120.0000 -240.36470 -237.19007 3.17463 1.85625 -236.24711 341.07995
7125.0000 -239.60494 -236.41376 3.19117 1.83217 -236.74130 321.18720
7130.0000 -240.60664 -236.51670 4.08993 1.83612 -236.66026 333.29469
7135.0000 -240.43500 -236.23061 4.20439 1.83973 -236.58610 339.07262
7140.0000 -240.90363 -236.72426 4.17937 1.85154 -236.34365 349.00577
7145.0000 -240.70894 -236.58120 4.12773 1.84333 -236.51227 342.04331
7150.0000 -240.67766 -236.34415 4.33351 1.85725 -236.22645 355.00598
7155.0000 -240.80064 -236.75454 4.04610 1.84354 -236.50799 342.91415
7160.0000 -240.13435 -235.88988 4.24446 1.85856 -236.19970 354.88995
7165.0000 -241.14722 -237.16183 3.98538 1.83674 -236.64750 342.51987
7170.0000 -240.73498 -236.26815 4.46683 1.82002 -236.99081 326.41338
7175.0000 -241.01646 -236.58144 4.43502 1.85089 -236.35702 349.79527
7180.0000 -240.76096 -236.74844 4.01252 1.83095 -236.76633 336.79143
7185.0000 -240.97351 -237.20178 3.77173 1.82051 -236.98069 325.77604
7190.0000 -241.29021 -237.19906 4.09115 1.82293 -236.93094 327.05415
7195.0000 -240.58875 -236.60281 3.98595 1.83269 -236.73074 334.15267
7200.0000 -240.85584 -236.68552 4.17032 1.82431 -236.90277 327.81661
7205.0000 -240.16202 -236.33868 3.82334 1.83262 -236.73202 332.09158
7210.0000 -240.98420 -236.41102 4.57318 1.84947 -236.38628 347.77340
7215.0000 -241.09948 -237.42384 3.67564 1.82334 -236.92270 330.06667
7220.0000 -241.45679 -237.28538 4.17142 1.81627 -237.06778 321.39463
7225.0000 -241.17601 -237.11446 4.06155 1.80978 -237.20093 318.62208
7230.0000 -240.38839 -236.29107 4.09732 1.84173 -236.54514 342.38053
7235.0000 -240.57347 -236.29569 4.27778 1.85132 -236.34819 352.93105
7240.0000 -241.09070 -237.24491 3.84579 1.84443 -236.48960 342.77018
7245.0000 -240.46836 -236.24204 4.22632 1.82392 -236.91070 327.67110
7250.0000 -240.98432 -236.61518 4.36913 1.84449 -236.48851 344.35016
FREEZING PROCESS: loop number 30 T-loop= 308.00000000000000
main_MD> interactions number 30 at Temperature= 308.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72286 0.97946 -1.96286
force_rgl> df(natom) 0.68521 1.25006 1.57736
7255.0000 -241.66803 -237.75184 3.91619 1.80473 -237.30470 315.55228
7260.0000 -241.42011 -237.59473 3.82538 1.79418 -237.52126 303.96986
7265.0000 -240.57007 -236.99497 3.57510 1.80712 -237.25562 315.05108
7270.0000 -241.45598 -237.76041 3.69557 1.79170 -237.57200 302.03225
7275.0000 -241.92094 -237.92737 3.99357 1.78103 -237.79112 294.83632
7280.0000 -241.23268 -237.66403 3.56865 1.76974 -238.02286 285.72747
7285.0000 -241.50528 -237.26937 4.23591 1.79594 -237.48497 307.40367
7290.0000 -241.27884 -237.57605 3.70279 1.79122 -237.58191 303.10046
7295.0000 -241.08181 -237.14224 3.93956 1.81158 -237.16403 323.51183
7300.0000 -241.32757 -237.79636 3.53121 1.79217 -237.56252 303.62415
7305.0000 -241.09295 -237.97416 3.11879 1.77203 -237.97593 286.00832
7310.0000 -240.81629 -237.64039 3.17590 1.77675 -237.87889 289.55286
7315.0000 -241.16993 -237.77541 3.39452 1.78278 -237.75519 294.45790
7320.0000 -241.12806 -237.41987 3.70820 1.77725 -237.86879 288.76573
7325.0000 -240.74234 -237.10182 3.64053 1.81292 -237.13644 320.14246
7330.0000 -240.94334 -237.28231 3.66103 1.80191 -237.36252 310.73485
7335.0000 -240.99091 -237.33244 3.65847 1.79493 -237.50573 304.76530
7340.0000 -240.94076 -237.16111 3.77964 1.80407 -237.31823 313.10608
7345.0000 -240.52470 -237.38867 3.13603 1.80644 -237.26958 313.90904
7350.0000 -240.97257 -237.16637 3.80621 1.81350 -237.12467 318.31816
7355.0000 -241.02241 -237.32997 3.69244 1.79515 -237.50119 306.35556
7360.0000 -240.84175 -236.64504 4.19671 1.82412 -236.90661 327.06372
7365.0000 -240.38007 -235.87837 4.50170 1.85265 -236.32103 352.43385
7370.0000 -240.99557 -236.66171 4.33386 1.85624 -236.24723 355.00731
7375.0000 -241.13763 -236.85707 4.28056 1.84319 -236.51510 345.64191
7380.0000 -240.87980 -237.41368 3.46612 1.80286 -237.34308 313.35053
7385.0000 -241.55825 -237.82185 3.73639 1.78916 -237.62413 299.46774
7390.0000 -241.12829 -237.28949 3.83880 1.78966 -237.61387 301.01511
7395.0000 -240.76165 -237.04941 3.71224 1.80846 -237.22801 316.43964
7400.0000 -241.02005 -237.12712 3.89293 1.81409 -237.11238 323.25509
7405.0000 -240.80650 -237.30006 3.50644 1.80268 -237.34678 309.82874
7410.0000 -241.40074 -237.48670 3.91403 1.80774 -237.24285 315.86324
7415.0000 -240.89073 -236.81594 4.07479 1.83200 -236.74491 334.66486
7420.0000 -240.57342 -236.98337 3.59005 1.82474 -236.89377 327.78520
7425.0000 -240.85138 -236.82976 4.02162 1.81651 -237.06289 320.37402
7430.0000 -241.38807 -237.45683 3.93124 1.81334 -237.12780 320.48675
7435.0000 -241.38758 -237.49686 3.89072 1.80132 -237.37453 311.00169
7440.0000 -241.10454 -237.87568 3.22886 1.78811 -237.64570 298.71287
7445.0000 -241.42244 -237.65878 3.76366 1.80211 -237.35832 310.46790
7450.0000 -241.37848 -237.49869 3.87978 1.79198 -237.56628 303.12419
7455.0000 -241.46905 -237.36972 4.09933 1.79745 -237.45395 309.21875
7460.0000 -241.74878 -237.89542 3.85336 1.79587 -237.48647 304.72467
7465.0000 -240.74570 -236.99510 3.75060 1.79621 -237.47943 305.63871
7470.0000 -240.85685 -237.35982 3.49703 1.80247 -237.35098 311.39589
7475.0000 -241.08428 -237.21467 3.86961 1.80002 -237.40133 308.82505
7480.0000 -241.86246 -237.93189 3.93057 1.81049 -237.18637 315.41843
7485.0000 -241.08548 -236.90418 4.18130 1.79289 -237.54768 303.22035
7490.0000 -241.72257 -238.48391 3.23866 1.78172 -237.77698 293.87256
7495.0000 -241.43361 -238.20059 3.23302 1.75841 -238.25542 276.00719
7500.0000 -240.74269 -237.30524 3.43746 1.77981 -237.81607 292.65349
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 8.4915814 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink