tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_16/freeze.log

1759 lines
173 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_16.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 = 16 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 16 1600
main_MD> Size of nv and nvoiz: 16 1600
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 = 16
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> 7.4907141388464993E-003 -7.5714522314306976E-002 -0.25227465305129471 initial drift of cluster / NP1 for coalescence
init> 0.52261328603731472 0.42940994210105432 0.31316333829670401 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5560341832993631E-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) -4.86743 0.36981 7.62663
force_rgl> df(natom) -0.04557 0.85610 2.28904
preparo> THERMALIZATION PROCESS AT 1104.9335341342533
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -32.292852281662405 1.4028139106929112 -33.695666192355318 5.6183521324244703E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 31
FREEZING PROCESS: loop number 1 T-loop= 1072.0000000000000
main_MD> interactions number 1 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04001 -1.92112 -4.08575
force_rgl> df(natom) 2.22802 2.43628 0.84033
5.0000 -33.20860 -31.37843 1.83017 2.33871 -32.35014 1054.90186
10.0000 -34.65217 -31.76463 2.88754 2.43754 -31.72258 1127.37348
15.0000 -34.27454 -32.09284 2.18171 2.48543 -31.41853 1278.60133
20.0000 -34.59570 -32.87213 1.72357 2.30073 -32.59128 1114.76472
25.0000 -35.81009 -33.84716 1.96292 2.19053 -33.29102 1012.64144
30.0000 -35.97645 -33.27524 2.70121 2.14137 -33.60316 957.40479
35.0000 -35.47322 -33.50271 1.97051 2.17195 -33.40896 1027.49846
40.0000 -35.67781 -33.24005 2.43776 2.24379 -32.95282 1053.34405
45.0000 -34.38579 -32.18009 2.20570 2.27401 -32.76094 1188.51019
50.0000 -34.86595 -32.28603 2.57991 2.39095 -32.01840 1195.74863
55.0000 -35.55421 -32.81527 2.73894 2.22246 -33.08828 1048.56503
60.0000 -34.87650 -32.44287 2.43363 2.30460 -32.56672 1101.93561
65.0000 -36.08992 -33.65168 2.43825 2.24378 -32.95287 1077.80106
70.0000 -35.66743 -34.03258 1.63484 2.14238 -33.59674 969.35058
75.0000 -35.00916 -33.42064 1.58852 2.16643 -33.44402 918.95308
80.0000 -34.90483 -32.80018 2.10465 2.24233 -32.96211 1122.46605
85.0000 -35.07062 -33.24653 1.82409 2.22803 -33.05287 951.50683
90.0000 -35.40023 -33.42982 1.97041 2.18830 -33.30515 1024.39904
95.0000 -33.36087 -31.52720 1.83367 2.21822 -33.11516 1071.27513
100.0000 -34.19077 -32.50813 1.68265 2.37440 -32.12348 1051.41683
105.0000 -35.60774 -33.05973 2.54801 2.24749 -32.92932 1069.51898
110.0000 -35.20490 -33.16217 2.04273 2.21416 -33.14095 1072.57854
115.0000 -35.38038 -32.92632 2.45406 2.21411 -33.14129 1076.63112
120.0000 -34.07552 -32.05223 2.02329 2.43089 -31.76480 1263.14474
125.0000 -34.29980 -32.56058 1.73922 2.36829 -32.16229 1151.01036
130.0000 -34.94224 -33.80508 1.13717 2.27735 -32.73975 1128.85127
135.0000 -35.40459 -33.23687 2.16772 2.14956 -33.55113 913.60040
140.0000 -35.44743 -33.35171 2.09571 2.17602 -33.38311 953.38767
145.0000 -33.81662 -31.96092 1.85569 2.27295 -32.76769 999.77851
150.0000 -34.72519 -32.19474 2.53045 2.38539 -32.05375 1176.22599
155.0000 -35.93651 -34.20826 1.72824 2.24188 -32.96497 1057.67072
160.0000 -34.64148 -32.40199 2.23949 2.22367 -33.08055 992.61932
165.0000 -34.51095 -33.09984 1.41112 2.26371 -32.82632 1154.73549
170.0000 -35.05815 -32.57952 2.47862 2.31847 -32.47865 1114.12779
175.0000 -35.46070 -32.22720 3.23350 2.35508 -32.24616 1191.48601
180.0000 -33.96280 -31.38218 2.58061 2.42004 -31.83368 1198.25438
185.0000 -34.34681 -31.25548 3.09134 2.52215 -31.18534 1398.46860
190.0000 -35.00537 -32.12242 2.88295 2.44250 -31.69112 1251.47447
195.0000 -34.56226 -31.69787 2.86439 2.36021 -32.21363 1101.34767
200.0000 -33.42529 -31.65771 1.76758 2.38780 -32.03839 1131.11941
205.0000 -34.97051 -32.31569 2.65483 2.38832 -32.03511 1186.93857
210.0000 -34.55350 -32.24076 2.31274 2.41210 -31.88409 1229.59230
215.0000 -34.97074 -33.56572 1.40502 2.27115 -32.77912 1076.06409
220.0000 -35.42129 -32.81096 2.61033 2.20680 -33.18772 998.00450
225.0000 -33.89629 -30.93838 2.95791 2.37962 -32.09035 1198.86191
230.0000 -34.79366 -32.96294 1.83072 2.30505 -32.56385 1138.02684
235.0000 -34.97285 -32.46897 2.50388 2.26392 -32.82499 1015.04470
240.0000 -34.81527 -32.49548 2.31979 2.39520 -31.99140 1156.55536
245.0000 -35.06609 -32.83750 2.22859 2.24208 -32.96370 1085.05477
250.0000 -35.09782 -32.71904 2.37878 2.26125 -32.84193 1000.87828
FREEZING PROCESS: loop number 2 T-loop= 1047.0000000000000
main_MD> interactions number 2 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.59593 -0.77795 0.46743
force_rgl> df(natom) 0.31145 1.92463 -3.99997
255.0000 -34.63550 -32.38760 2.24789 2.37894 -32.09465 1257.28611
260.0000 -34.41350 -32.44601 1.96749 2.30958 -32.53508 1150.49350
265.0000 -33.94446 -31.56178 2.38268 2.42448 -31.80554 1249.04430
270.0000 -34.90933 -32.97182 1.93751 2.40445 -31.93270 1208.81839
275.0000 -34.46954 -33.02188 1.44766 2.26891 -32.79332 1059.02816
280.0000 -35.19043 -32.77615 2.41429 2.26512 -32.81737 1085.23465
285.0000 -35.11803 -33.21075 1.90727 2.20559 -33.19538 996.47338
290.0000 -35.56227 -33.14961 2.41266 2.19894 -33.23760 1036.03441
295.0000 -35.00813 -32.31151 2.69661 2.27553 -32.75126 1132.67129
300.0000 -33.93416 -32.30546 1.62869 2.32079 -32.46392 1141.60878
305.0000 -35.49200 -33.59292 1.89908 2.25618 -32.87416 1094.80586
310.0000 -36.07281 -33.91271 2.16010 2.09630 -33.88930 918.96014
315.0000 -36.01190 -33.81196 2.19994 2.03430 -34.28303 897.66069
320.0000 -33.69973 -31.64936 2.05037 2.33498 -32.37383 1225.25009
325.0000 -34.34400 -31.43716 2.90685 2.45503 -31.61152 1268.19935
330.0000 -35.19943 -31.96451 3.23492 2.39820 -31.97237 1305.72780
335.0000 -34.11159 -32.04666 2.06493 2.37984 -32.08896 1192.03715
340.0000 -35.37047 -33.40718 1.96329 2.27298 -32.76748 1124.27656
345.0000 -35.35438 -33.29754 2.05684 2.14384 -33.58748 947.25900
350.0000 -35.76210 -34.07371 1.68838 2.09212 -33.91585 971.76215
355.0000 -34.78676 -33.18605 1.60071 2.18283 -33.33991 949.47583
360.0000 -34.96717 -33.15705 1.81011 2.19271 -33.27716 935.00500
365.0000 -35.45258 -33.15074 2.30185 2.16655 -33.44328 968.55743
370.0000 -35.44713 -33.21451 2.23261 2.25016 -32.91241 1085.78685
375.0000 -34.39645 -32.72916 1.66728 2.20239 -33.21569 990.93726
380.0000 -35.73665 -33.43239 2.30426 2.21927 -33.10849 1025.45258
385.0000 -35.03246 -33.20802 1.82445 2.16664 -33.44266 1022.65746
390.0000 -34.94461 -33.24448 1.70013 2.16797 -33.43424 930.56418
395.0000 -35.03966 -33.32239 1.71727 2.14066 -33.60768 931.82666
400.0000 -35.67843 -33.22434 2.45409 2.14954 -33.55125 1019.06782
405.0000 -35.20699 -33.47077 1.73622 2.23848 -32.98653 1140.07044
410.0000 -35.01694 -32.63787 2.37907 2.27220 -32.77245 1051.11378
415.0000 -34.16873 -32.35002 1.81871 2.36364 -32.19179 1121.62780
420.0000 -36.18860 -33.58143 2.60717 2.24570 -32.94070 1069.97675
425.0000 -35.15538 -32.86645 2.28893 2.31375 -32.50863 1106.30693
430.0000 -34.97824 -33.29138 1.68685 2.19561 -33.25875 989.17615
435.0000 -35.50190 -32.99302 2.50888 2.22931 -33.04476 1027.38946
440.0000 -34.73895 -32.94628 1.79267 2.26044 -32.84713 1058.59145
445.0000 -34.79004 -32.48348 2.30655 2.30196 -32.58344 1091.77846
450.0000 -35.44326 -32.60418 2.83908 2.34041 -32.33932 1062.10294
455.0000 -35.95656 -34.62870 1.32786 2.11657 -33.76063 972.58064
460.0000 -35.26821 -32.78246 2.48575 2.05816 -34.13150 846.77820
465.0000 -35.01933 -32.89001 2.12932 2.24780 -32.92738 998.56248
470.0000 -36.13469 -33.78323 2.35147 2.20314 -33.21096 1015.14722
475.0000 -35.27047 -33.34341 1.92706 2.16292 -33.46628 970.07182
480.0000 -35.40227 -33.10931 2.29296 2.25714 -32.86803 1042.40672
485.0000 -36.18041 -34.31534 1.86507 2.19561 -33.25875 1064.12285
490.0000 -35.85704 -34.24161 1.61543 2.09298 -33.91043 883.07325
495.0000 -35.56386 -33.71252 1.85134 2.10325 -33.84519 946.39709
500.0000 -35.70607 -34.04219 1.66389 2.13989 -33.61255 906.49021
FREEZING PROCESS: loop number 3 T-loop= 1022.0000000000000
main_MD> interactions number 3 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.68256 -1.61832 -0.05200
force_rgl> df(natom) -2.47217 1.11136 1.21262
505.0000 -34.28137 -32.00909 2.27228 2.22289 -33.08555 972.53287
510.0000 -34.72755 -32.40474 2.32281 2.35530 -32.24477 1113.74147
515.0000 -34.55534 -32.35514 2.20021 2.38130 -32.07969 1100.36702
520.0000 -35.43928 -32.79046 2.64882 2.34905 -32.28448 1179.82233
525.0000 -35.77065 -32.95874 2.81191 2.17090 -33.41563 1100.29394
530.0000 -35.91315 -34.32773 1.58542 2.10399 -33.84048 897.39374
535.0000 -35.23303 -33.19451 2.03852 2.15704 -33.50363 847.81437
540.0000 -35.62163 -33.69446 1.92717 2.16259 -33.46839 923.94926
545.0000 -35.56374 -33.08615 2.47759 2.22216 -33.09019 1033.38699
550.0000 -36.17861 -34.34565 1.83296 2.08276 -33.97527 902.40733
555.0000 -35.95687 -33.56309 2.39378 1.99625 -34.52459 847.56933
560.0000 -35.59553 -33.83496 1.76057 2.10374 -33.84207 945.99149
565.0000 -35.75794 -33.56651 2.19144 2.14139 -33.60304 946.24191
570.0000 -35.03026 -32.83089 2.19937 2.32658 -32.42712 1181.61938
575.0000 -35.89968 -33.63376 2.26592 2.21411 -33.14128 1018.96874
580.0000 -34.98195 -32.14561 2.83634 2.22312 -33.08405 963.49623
585.0000 -34.92041 -33.26404 1.65637 2.25126 -32.90536 1019.13009
590.0000 -34.82061 -32.90806 1.91255 2.20887 -33.17452 1014.60388
595.0000 -35.60797 -33.51945 2.08853 2.26467 -32.82024 1151.58765
600.0000 -35.35959 -33.15365 2.20593 2.11688 -33.75867 895.18740
605.0000 -35.95874 -34.26576 1.69299 2.06361 -34.09686 848.57969
610.0000 -35.26449 -33.84035 1.42414 2.09249 -33.91353 878.65823
615.0000 -35.17920 -32.42643 2.75277 2.23858 -32.98588 1101.08319
620.0000 -35.02297 -32.55716 2.46581 2.30656 -32.55425 1079.66264
625.0000 -35.16893 -33.33784 1.83109 2.29412 -32.63322 1065.70131
630.0000 -36.12619 -34.21618 1.91001 2.18572 -33.32157 907.55380
635.0000 -34.26768 -32.26866 1.99902 2.21360 -33.14453 958.32129
640.0000 -35.59016 -33.01779 2.57237 2.17329 -33.40049 968.56364
645.0000 -35.73487 -33.98170 1.75317 2.12166 -33.72831 966.73456
650.0000 -35.31155 -33.14444 2.16710 2.17536 -33.38732 918.97550
655.0000 -35.96692 -33.40413 2.56278 2.08019 -33.99162 866.60279
660.0000 -34.61660 -32.95022 1.66639 2.20119 -33.22329 930.98780
665.0000 -34.76333 -32.85454 1.90879 2.23475 -33.01024 983.31421
670.0000 -34.36463 -32.98969 1.37493 2.23973 -32.97860 984.59380
675.0000 -35.85604 -33.91022 1.94582 2.13910 -33.61758 930.47471
680.0000 -35.79462 -34.18683 1.60779 2.04878 -34.19107 880.85598
685.0000 -34.72696 -32.63113 2.09583 2.15553 -33.51321 970.83952
690.0000 -34.22459 -31.99664 2.22795 2.31979 -32.47026 1065.67880
695.0000 -34.29843 -32.21082 2.08761 2.37727 -32.10526 1246.04204
700.0000 -34.80191 -32.65064 2.15127 2.32182 -32.45735 1104.83725
705.0000 -35.49033 -33.61925 1.87108 2.24043 -32.97416 1018.13029
710.0000 -34.74562 -31.93073 2.81488 2.38732 -32.04149 1177.30271
715.0000 -34.67531 -32.24255 2.43276 2.28253 -32.70682 1087.34154
720.0000 -34.80781 -32.55550 2.25231 2.32962 -32.40786 1158.32253
725.0000 -34.81419 -32.60428 2.20990 2.30474 -32.56583 1108.03914
730.0000 -35.14945 -34.03633 1.11312 2.16892 -33.42823 861.25318
735.0000 -35.78003 -33.79595 1.98408 2.10140 -33.85691 839.00523
740.0000 -36.10868 -34.42222 1.68647 2.09332 -33.90824 923.90867
745.0000 -35.49597 -33.59197 1.90401 2.05280 -34.16553 849.01205
750.0000 -35.12651 -32.69364 2.43287 2.16154 -33.47509 991.78442
FREEZING PROCESS: loop number 4 T-loop= 997.00000000000000
main_MD> interactions number 4 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.00914 1.91860 0.45408
force_rgl> df(natom) 0.02547 1.90829 -1.73485
755.0000 -35.04143 -32.21273 2.82871 2.29195 -32.64700 1079.66498
760.0000 -35.00473 -32.47574 2.52899 2.38097 -32.08179 1193.13528
765.0000 -34.67298 -32.54073 2.13226 2.32621 -32.42947 1137.89357
770.0000 -35.32569 -33.67228 1.65341 2.22229 -33.08935 1106.05353
775.0000 -36.44623 -34.32675 2.11949 1.99542 -34.52990 824.41646
780.0000 -35.62360 -33.57314 2.05046 2.00847 -34.44699 781.26044
785.0000 -34.70649 -32.41745 2.28904 2.18904 -33.30049 1009.46614
790.0000 -34.92566 -33.10575 1.81991 2.25124 -32.90553 1023.57988
795.0000 -34.16915 -32.30118 1.86796 2.25776 -32.86414 1062.81436
800.0000 -34.35890 -32.98876 1.37014 2.37087 -32.14592 1125.37216
805.0000 -35.50915 -33.32201 2.18714 2.20783 -33.18118 1002.87103
810.0000 -34.43585 -31.76241 2.67344 2.27042 -32.78374 1136.04196
815.0000 -34.57993 -32.39690 2.18303 2.41446 -31.86913 1217.36939
820.0000 -35.06580 -32.92439 2.14140 2.35567 -32.24244 1084.05165
825.0000 -35.29363 -33.58718 1.70645 2.21329 -33.14651 967.92284
830.0000 -34.66425 -32.74545 1.91880 2.26584 -32.81282 1085.85740
835.0000 -35.42902 -33.16197 2.26705 2.22674 -33.06109 1038.38547
840.0000 -35.69627 -33.15545 2.54081 2.17561 -33.38572 992.94857
845.0000 -36.22063 -34.07324 2.14739 2.09319 -33.90905 952.42399
850.0000 -36.54610 -34.20669 2.33940 2.03161 -34.30009 879.33910
855.0000 -35.23662 -32.95512 2.28150 2.14901 -33.55466 1041.25890
860.0000 -36.11768 -34.57012 1.54755 2.21306 -33.14795 1047.30665
865.0000 -36.08756 -34.34143 1.74613 2.00425 -34.47378 783.63092
870.0000 -35.74866 -34.04615 1.70250 2.08186 -33.98100 850.00397
875.0000 -34.81540 -33.32954 1.48586 2.17501 -33.38952 989.85291
880.0000 -35.87279 -34.51761 1.35518 2.06263 -34.10312 932.90375
885.0000 -36.50454 -34.69838 1.80616 1.95990 -34.75542 746.22564
890.0000 -35.88405 -33.61727 2.26678 2.05562 -34.14766 915.57393
895.0000 -35.89708 -34.48784 1.40924 2.09288 -33.91105 872.30505
900.0000 -35.01196 -33.48511 1.52685 2.14672 -33.56919 1056.25451
905.0000 -35.85605 -33.42196 2.43409 2.14919 -33.55347 905.76697
910.0000 -35.34916 -33.94173 1.40743 2.04389 -34.22211 909.44486
915.0000 -36.39763 -34.09755 2.30008 2.13641 -33.63465 988.57837
920.0000 -34.25482 -32.45400 1.80082 2.21881 -33.11145 943.69508
925.0000 -35.34559 -33.17899 2.16661 2.32709 -32.42390 1133.32056
930.0000 -35.69433 -33.78076 1.91356 2.15432 -33.52094 950.43076
935.0000 -35.40072 -33.36743 2.03329 2.10685 -33.82232 934.29699
940.0000 -34.25226 -32.41235 1.83991 2.32739 -32.42200 1214.75990
945.0000 -35.05363 -32.39727 2.65637 2.29590 -32.62195 1065.62954
950.0000 -34.30897 -32.30738 2.00159 2.30292 -32.57735 1118.65805
955.0000 -33.58807 -31.67174 1.91633 2.40490 -31.92982 1306.68530
960.0000 -34.23489 -31.16110 3.07379 2.36844 -32.16135 1140.77287
965.0000 -34.29800 -32.60584 1.69215 2.43873 -31.71505 1255.22611
970.0000 -35.32144 -33.14222 2.17922 2.21647 -33.12632 1002.36953
975.0000 -34.97364 -33.09886 1.87478 2.21768 -33.11859 983.61830
980.0000 -35.07462 -33.67239 1.40223 2.17403 -33.39577 880.96227
985.0000 -35.29258 -32.58876 2.70382 2.16934 -33.42557 944.18562
990.0000 -35.45785 -33.09826 2.35959 2.24657 -32.93518 1063.36926
995.0000 -34.59190 -32.68127 1.91062 2.24837 -32.92376 1033.39374
1000.0000 -34.56890 -32.38910 2.17980 2.25954 -32.85282 1023.85629
FREEZING PROCESS: loop number 5 T-loop= 972.00000000000000
main_MD> interactions number 5 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -10.71833 1.22307 3.38770
force_rgl> df(natom) 1.07077 0.37403 -1.83463
1005.0000 -34.72509 -32.00753 2.71757 2.29705 -32.61466 1077.71882
1010.0000 -35.84845 -33.72578 2.12267 2.25593 -32.87571 1097.29775
1015.0000 -35.26768 -32.76141 2.50627 2.12611 -33.70001 988.52884
1020.0000 -34.40218 -32.38238 2.01981 2.27530 -32.75275 1166.71955
1025.0000 -35.28352 -33.16039 2.12313 2.28810 -32.67144 1140.25643
1030.0000 -35.40269 -34.09571 1.30698 2.13055 -33.67185 955.14167
1035.0000 -35.40807 -33.74226 1.66581 2.09193 -33.91708 889.52942
1040.0000 -36.03465 -33.27298 2.76166 2.13603 -33.63704 920.86196
1045.0000 -35.99321 -34.34867 1.64454 2.19718 -33.24876 1033.67431
1050.0000 -36.16042 -34.23488 1.92555 2.06966 -34.05846 1018.12795
1055.0000 -35.53483 -33.80510 1.72973 2.14028 -33.61004 950.45989
1060.0000 -36.46076 -33.91790 2.54286 2.14493 -33.58053 1029.30582
1065.0000 -35.66501 -34.36269 1.30231 2.01448 -34.40884 791.23106
1070.0000 -35.12543 -33.09844 2.02699 2.13902 -33.61810 839.84547
1075.0000 -36.05956 -33.73922 2.32034 2.15541 -33.51399 954.08395
1080.0000 -35.73388 -34.12553 1.60835 2.11515 -33.76966 895.62271
1085.0000 -35.53469 -33.23695 2.29775 2.11618 -33.76310 945.26971
1090.0000 -35.66938 -33.90660 1.76279 2.11662 -33.76030 885.62041
1095.0000 -35.28519 -33.06039 2.22480 2.07650 -34.01506 906.57330
1100.0000 -35.25538 -33.76952 1.48586 2.16977 -33.42284 918.00361
1105.0000 -36.10786 -33.63416 2.47370 2.10682 -33.82250 939.14344
1110.0000 -35.86871 -34.46039 1.40832 2.07420 -34.02967 913.87892
1115.0000 -35.59381 -33.75193 1.84188 2.07628 -34.01647 923.83641
1120.0000 -35.19955 -34.07781 1.12174 2.10832 -33.81301 915.78711
1125.0000 -36.65631 -34.18755 2.46876 2.11263 -33.78567 950.36887
1130.0000 -35.42079 -33.00066 2.42013 2.18176 -33.34670 1017.11732
1135.0000 -34.80347 -32.80205 2.00142 2.14506 -33.57969 867.53498
1140.0000 -35.41518 -33.43278 1.98240 2.26203 -32.83699 1026.06255
1145.0000 -35.44754 -33.03964 2.40790 2.15973 -33.48658 892.06681
1150.0000 -34.10866 -32.47035 1.63831 2.20894 -33.17410 1004.66829
1155.0000 -35.61605 -33.07824 2.53781 2.31343 -32.51065 1144.00807
1160.0000 -34.85803 -33.02537 1.83266 2.12325 -33.71821 958.84812
1165.0000 -35.11188 -33.24583 1.86605 2.21543 -33.13288 1000.15519
1170.0000 -34.40253 -31.61459 2.78794 2.36289 -32.19659 1096.55332
1175.0000 -35.00240 -32.94085 2.06155 2.25653 -32.87191 1005.53415
1180.0000 -34.91390 -33.10944 1.80446 2.29475 -32.62928 1069.94953
1185.0000 -35.74589 -33.24942 2.49647 2.19308 -33.27483 957.44077
1190.0000 -34.48662 -31.93177 2.55485 2.33463 -32.37601 1182.20092
1195.0000 -34.96607 -32.75295 2.21312 2.36376 -32.19105 1147.16895
1200.0000 -36.03413 -33.77990 2.25423 2.19946 -33.23430 1041.60299
1205.0000 -35.89386 -33.40708 2.48679 2.11518 -33.76943 929.45630
1210.0000 -35.19940 -33.89074 1.30866 2.13430 -33.64802 953.69237
1215.0000 -36.13856 -33.83368 2.30489 2.07581 -34.01943 821.42737
1220.0000 -35.52613 -34.15697 1.36916 2.09779 -33.87989 988.45095
1225.0000 -35.80287 -34.01980 1.78308 2.02832 -34.32094 818.31278
1230.0000 -34.92159 -33.00573 1.91586 2.13219 -33.66143 927.79989
1235.0000 -34.42102 -31.52730 2.89372 2.39029 -32.02261 1189.16405
1240.0000 -34.92575 -32.82940 2.09635 2.35759 -32.23021 1132.25209
1245.0000 -34.64990 -32.29739 2.35251 2.36818 -32.16298 1144.55678
1250.0000 -33.99854 -31.72279 2.27576 2.40723 -31.91504 1159.03583
FREEZING PROCESS: loop number 6 T-loop= 947.00000000000000
main_MD> interactions number 6 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.82613 -3.08875 -1.08842
force_rgl> df(natom) -1.05686 2.03278 1.17846
1255.0000 -33.46789 -31.83288 1.63500 2.38114 -32.08070 1175.76345
1260.0000 -33.82418 -32.25917 1.56500 2.37807 -32.10018 1131.46620
1265.0000 -35.21944 -33.00167 2.21777 2.28162 -32.71262 1010.87977
1270.0000 -35.90697 -34.05795 1.84902 2.12514 -33.70622 958.12075
1275.0000 -35.10253 -33.13937 1.96316 2.22651 -33.06253 994.49140
1280.0000 -34.99119 -32.56916 2.42203 2.27012 -32.78565 1021.45591
1285.0000 -35.01393 -32.39715 2.61678 2.26959 -32.78899 1018.98062
1290.0000 -35.41652 -32.69498 2.72154 2.28593 -32.68525 1099.37905
1295.0000 -35.52007 -33.81644 1.70363 2.20445 -33.20263 1048.33830
1300.0000 -35.72414 -34.15907 1.56507 2.11887 -33.74599 869.73546
1305.0000 -35.06108 -33.10212 1.95896 2.06754 -34.07193 883.77730
1310.0000 -35.52637 -33.71977 1.80660 2.16887 -33.42855 932.50645
1315.0000 -35.53645 -33.03686 2.49958 2.15378 -33.52437 875.82852
1320.0000 -35.78574 -34.03977 1.74597 2.20028 -33.22906 1015.92209
1325.0000 -35.02289 -33.40616 1.61673 2.12911 -33.68098 980.69055
1330.0000 -35.26605 -33.72610 1.53995 2.15147 -33.53900 920.15229
1335.0000 -34.94969 -32.97018 1.97951 2.10963 -33.80472 804.83147
1340.0000 -34.81764 -33.19852 1.61912 2.27776 -32.73710 1058.88054
1345.0000 -36.33991 -34.09184 2.24806 2.09527 -33.89588 874.08361
1350.0000 -36.71992 -34.96561 1.75431 1.95435 -34.79065 745.84634
1355.0000 -36.21687 -34.08035 2.13652 1.96884 -34.69864 754.27436
1360.0000 -35.50184 -33.76623 1.73561 2.07638 -34.01582 873.42412
1365.0000 -35.53904 -33.90278 1.63626 2.09996 -33.86610 887.50545
1370.0000 -36.57439 -34.34713 2.22726 2.07263 -34.03964 907.23881
1375.0000 -35.71175 -33.88012 1.83164 2.02695 -34.32964 830.70914
1380.0000 -36.24184 -34.48094 1.76091 2.03782 -34.26064 857.77933
1385.0000 -35.34666 -32.91740 2.42927 2.16071 -33.48036 976.18156
1390.0000 -35.44088 -33.90651 1.53437 2.20079 -33.22584 1005.98359
1395.0000 -35.53213 -33.39316 2.13897 2.17575 -33.38487 1024.96423
1400.0000 -35.16446 -33.62878 1.53568 2.15215 -33.53467 995.14922
1405.0000 -35.41852 -33.84654 1.57199 2.12034 -33.73668 920.73321
1410.0000 -36.15015 -34.54979 1.60036 2.05102 -34.17681 828.50790
1415.0000 -35.54729 -33.91613 1.63117 1.95197 -34.80575 762.69649
1420.0000 -35.42054 -33.59636 1.82418 2.05784 -34.13355 790.66358
1425.0000 -35.15581 -32.51320 2.64262 2.22833 -33.05096 929.10205
1430.0000 -34.62879 -32.57542 2.05337 2.24688 -32.93322 1077.90351
1435.0000 -34.82307 -32.50251 2.32057 2.35796 -32.22790 1186.60634
1440.0000 -35.49029 -33.10242 2.38787 2.21028 -33.16559 1084.81449
1445.0000 -35.77543 -33.72872 2.04670 2.19569 -33.25822 1016.66211
1450.0000 -35.37161 -33.68295 1.68866 2.11576 -33.76576 896.52551
1455.0000 -35.41312 -34.07233 1.34079 2.11685 -33.75882 914.93946
1460.0000 -35.47704 -33.51332 1.96372 2.13221 -33.66131 966.46071
1465.0000 -36.22440 -34.29557 1.92883 2.14689 -33.56812 987.63559
1470.0000 -35.89912 -33.96425 1.93487 2.07710 -34.01126 930.90095
1475.0000 -35.93363 -34.09798 1.83565 2.06985 -34.05730 872.56802
1480.0000 -35.95055 -33.79000 2.16055 2.06519 -34.08688 849.59864
1485.0000 -35.59389 -34.23100 1.36288 2.13161 -33.66514 918.37468
1490.0000 -36.28601 -34.42391 1.86211 2.04939 -34.18720 899.49857
1495.0000 -36.22056 -34.39449 1.82607 2.00597 -34.46287 786.39739
1500.0000 -35.80017 -34.20910 1.59107 2.01977 -34.37528 806.62846
FREEZING PROCESS: loop number 7 T-loop= 922.00000000000000
main_MD> interactions number 7 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88572 -0.72854 2.49459
force_rgl> df(natom) -3.27551 -1.57787 -2.70198
1505.0000 -35.45917 -33.21847 2.24071 2.12695 -33.69469 933.21372
1510.0000 -34.62453 -33.48128 1.14326 2.23274 -33.02300 1036.89271
1515.0000 -35.93684 -34.00137 1.93547 2.16507 -33.45266 975.06810
1520.0000 -35.87358 -33.79927 2.07431 2.02382 -34.34955 785.28266
1525.0000 -35.95635 -34.32579 1.63055 2.04456 -34.21784 889.51698
1530.0000 -35.43957 -33.87334 1.56623 2.05995 -34.12016 880.78634
1535.0000 -36.16410 -33.88824 2.27585 2.06647 -34.07876 860.11017
1540.0000 -35.93041 -34.20515 1.72526 2.08763 -33.94441 925.99856
1545.0000 -34.49103 -32.30428 2.18675 2.15450 -33.51976 923.48027
1550.0000 -35.88152 -32.98939 2.89213 2.25435 -32.88579 1033.21544
1555.0000 -34.83886 -33.09509 1.74377 2.24631 -32.93680 1054.69810
1560.0000 -34.94262 -32.43289 2.50974 2.22934 -33.04455 1133.33371
1565.0000 -35.82774 -32.60846 3.21928 2.29579 -32.62262 1084.37734
1570.0000 -35.70151 -34.17537 1.52614 2.20462 -33.20156 1107.72816
1575.0000 -36.33467 -34.71242 1.62225 2.04230 -34.23219 865.37250
1580.0000 -36.45371 -34.54407 1.90965 1.98027 -34.62604 763.71234
1585.0000 -36.33718 -34.63320 1.70398 2.02681 -34.33056 833.00515
1590.0000 -36.62398 -34.07484 2.54914 2.06458 -34.09070 915.77867
1595.0000 -35.63730 -33.70246 1.93485 2.06922 -34.06128 867.55135
1600.0000 -35.65008 -34.32889 1.32119 2.01391 -34.41246 766.84697
1605.0000 -35.08811 -33.14385 1.94425 2.10144 -33.85668 885.91880
1610.0000 -35.90556 -33.80477 2.10079 2.19817 -33.24248 1052.51308
1615.0000 -35.77488 -33.44211 2.33277 2.13074 -33.67065 938.95479
1620.0000 -35.34226 -33.62352 1.71873 2.14898 -33.55483 1001.17463
1625.0000 -35.87571 -34.76111 1.11460 2.04718 -34.20120 904.71804
1630.0000 -35.04580 -33.26759 1.77821 2.11602 -33.76411 926.01994
1635.0000 -34.43631 -32.64690 1.78941 2.20443 -33.20275 994.58534
1640.0000 -34.44872 -32.85912 1.58960 2.23885 -32.98416 1040.54016
1645.0000 -35.51868 -33.32083 2.19784 2.24433 -32.94940 1101.30003
1650.0000 -35.39844 -33.38045 2.01798 2.16551 -33.44986 1038.94669
1655.0000 -34.80209 -32.85507 1.94702 2.20043 -33.22814 998.22865
1660.0000 -35.10773 -33.11401 1.99372 2.18292 -33.33934 978.92315
1665.0000 -34.66189 -33.18712 1.47477 2.29541 -32.62508 1107.21832
1670.0000 -35.88411 -34.37241 1.51170 2.11504 -33.77035 947.80078
1675.0000 -35.79653 -34.21515 1.58137 2.03553 -34.27517 790.24532
1680.0000 -35.99810 -34.04639 1.95171 2.06862 -34.06511 820.11640
1685.0000 -35.87182 -33.33756 2.53426 2.26611 -32.81109 1105.29530
1690.0000 -35.92273 -33.66772 2.25500 2.10630 -33.82583 884.67921
1695.0000 -35.65385 -33.50213 2.15172 2.16227 -33.47046 905.08685
1700.0000 -35.37724 -33.78655 1.59068 2.09384 -33.90496 851.80939
1705.0000 -36.17251 -34.58564 1.58687 2.09067 -33.92508 881.68279
1710.0000 -36.28893 -34.00853 2.28040 2.03478 -34.27997 893.65155
1715.0000 -34.97554 -33.49924 1.47630 2.10231 -33.85113 911.66427
1720.0000 -35.53142 -33.65731 1.87411 2.13138 -33.66656 865.13158
1725.0000 -35.66597 -33.48316 2.18281 2.18843 -33.30436 1032.89333
1730.0000 -35.81304 -33.76460 2.04844 2.13898 -33.61834 923.98553
1735.0000 -35.95377 -33.14830 2.80547 2.26470 -32.82008 1090.00083
1740.0000 -36.08965 -33.85343 2.23622 2.14903 -33.55453 1118.72527
1745.0000 -35.37709 -33.65064 1.72645 2.13098 -33.66915 850.93660
1750.0000 -35.36400 -33.73849 1.62550 2.07821 -34.00418 714.93875
FREEZING PROCESS: loop number 8 T-loop= 897.00000000000000
main_MD> interactions number 8 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.33230 -1.22762 -0.14133
force_rgl> df(natom) 0.57395 0.35511 1.43350
1755.0000 -36.58381 -35.36426 1.21955 2.08167 -33.98222 933.57363
1760.0000 -36.64115 -35.46881 1.17235 1.89813 -35.14765 654.83759
1765.0000 -36.10965 -34.29559 1.81406 1.97174 -34.68025 777.12568
1770.0000 -34.78705 -33.39459 1.39246 2.13331 -33.65431 934.29534
1775.0000 -35.56533 -33.92210 1.64323 2.16054 -33.48143 891.75959
1780.0000 -36.02284 -34.77013 1.25270 2.05471 -34.15338 895.10881
1785.0000 -35.81799 -34.57551 1.24248 1.95440 -34.79033 778.49425
1790.0000 -35.07404 -33.53766 1.53638 2.04415 -34.22047 842.76054
1795.0000 -36.11432 -33.97415 2.14017 2.09353 -33.90693 865.29576
1800.0000 -35.18079 -32.68405 2.49674 2.15541 -33.51401 957.52702
1805.0000 -35.95353 -34.26116 1.69237 2.15004 -33.54808 1012.63167
1810.0000 -36.01646 -34.08966 1.92680 2.06269 -34.10271 909.77628
1815.0000 -36.55976 -34.76654 1.79322 2.01775 -34.38810 839.20662
1820.0000 -35.95808 -34.22380 1.73428 1.98704 -34.58309 781.65144
1825.0000 -35.65733 -34.63839 1.01894 2.09520 -33.89632 793.48231
1830.0000 -35.30190 -33.36204 1.93987 2.10145 -33.85660 932.14187
1835.0000 -35.87878 -33.72247 2.15631 2.13633 -33.63518 946.68327
1840.0000 -35.22517 -32.81066 2.41451 2.14542 -33.57743 945.73419
1845.0000 -36.06456 -33.88320 2.18136 2.15743 -33.50115 990.47109
1850.0000 -34.96854 -32.69301 2.27554 2.18568 -33.32182 1004.06844
1855.0000 -34.98321 -32.94082 2.04239 2.23326 -33.01969 969.93474
1860.0000 -35.41202 -33.56207 1.84995 2.15730 -33.50201 914.56589
1865.0000 -35.61642 -34.20253 1.41389 2.15027 -33.54666 957.99510
1870.0000 -36.78558 -34.97690 1.80868 2.01409 -34.41134 773.74600
1875.0000 -35.84212 -34.51950 1.32263 1.95300 -34.79921 779.60465
1880.0000 -35.59172 -34.14417 1.44755 2.02780 -34.32428 852.51245
1885.0000 -35.49613 -33.44390 2.05223 2.14402 -33.58631 969.09384
1890.0000 -35.99462 -33.88104 2.11358 2.11106 -33.79560 871.18039
1895.0000 -35.79940 -33.51604 2.28336 2.06927 -34.06095 891.40650
1900.0000 -36.12926 -33.70991 2.41935 2.09878 -33.87358 912.03827
1905.0000 -34.71935 -32.88542 1.83394 2.16867 -33.42982 980.43814
1910.0000 -35.63584 -33.07884 2.55700 2.19937 -33.23486 1002.17687
1915.0000 -35.82892 -33.56186 2.26706 2.17631 -33.38128 1056.57290
1920.0000 -35.96231 -34.02638 1.93593 2.04931 -34.18771 864.15198
1925.0000 -35.22999 -33.69830 1.53168 2.06584 -34.08271 858.92610
1930.0000 -35.88743 -33.82761 2.05983 2.14900 -33.55468 896.13385
1935.0000 -35.35315 -33.78485 1.56830 2.10915 -33.80772 928.01765
1940.0000 -36.08289 -33.57396 2.50893 2.18703 -33.31324 907.95101
1945.0000 -35.69288 -33.99467 1.69822 2.16216 -33.47117 1050.17184
1950.0000 -35.40583 -33.50967 1.89616 2.17287 -33.40313 974.23692
1955.0000 -35.41971 -33.49406 1.92564 2.12136 -33.73019 946.42549
1960.0000 -35.40648 -33.05540 2.35109 2.20272 -33.21357 1002.11971
1965.0000 -34.96103 -33.15107 1.80996 2.23429 -33.01316 983.91904
1970.0000 -35.47474 -33.85411 1.62063 2.16958 -33.42403 982.35062
1975.0000 -35.48379 -33.77775 1.70604 2.09919 -33.87101 895.32887
1980.0000 -36.15816 -34.10710 2.05106 2.11462 -33.77298 930.12064
1985.0000 -35.81285 -34.13684 1.67601 2.05287 -34.16511 827.76351
1990.0000 -36.24317 -34.60422 1.63895 1.97510 -34.65887 730.54892
1995.0000 -36.24200 -34.44727 1.79473 1.96828 -34.70219 736.70821
2000.0000 -36.09115 -33.64148 2.44967 2.05930 -34.12424 861.16931
FREEZING PROCESS: loop number 9 T-loop= 872.00000000000000
main_MD> interactions number 9 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.47349 1.28784 1.12553
force_rgl> df(natom) 1.96316 0.46577 0.38155
2005.0000 -35.67121 -33.33516 2.33605 2.14089 -33.60621 1026.31814
2010.0000 -35.02487 -33.54050 1.48437 2.08997 -33.92952 939.50294
2015.0000 -34.88308 -33.15827 1.72481 2.21479 -33.13699 1037.27206
2020.0000 -35.57259 -33.01485 2.55774 2.19874 -33.23885 1046.30768
2025.0000 -35.84698 -32.99281 2.85417 2.17247 -33.40570 977.61462
2030.0000 -35.92348 -34.25187 1.67161 2.16569 -33.44873 955.31086
2035.0000 -35.29881 -33.18790 2.11091 2.08567 -33.95680 936.58747
2040.0000 -35.37967 -33.13588 2.24378 2.10998 -33.80248 943.32619
2045.0000 -34.79241 -32.90167 1.89074 2.21531 -33.13366 1086.60566
2050.0000 -35.72567 -34.55559 1.17008 2.10997 -33.80251 963.45160
2055.0000 -36.80318 -34.88990 1.91328 2.02443 -34.34565 857.85864
2060.0000 -35.88172 -34.05989 1.82183 1.99935 -34.50493 797.38050
2065.0000 -35.51889 -34.45398 1.06491 2.04457 -34.21780 832.28718
2070.0000 -36.18661 -34.61223 1.57438 2.00317 -34.48065 790.60597
2075.0000 -36.12141 -34.02213 2.09929 1.97497 -34.65970 779.92472
2080.0000 -36.56940 -34.93253 1.63686 1.99887 -34.50797 827.16661
2085.0000 -36.64109 -35.25690 1.38419 1.94339 -34.86024 734.97984
2090.0000 -36.44424 -34.60909 1.83515 1.98772 -34.57878 815.95029
2095.0000 -36.16952 -34.18606 1.98346 1.97269 -34.67421 868.64554
2100.0000 -34.84462 -33.14429 1.70034 2.14272 -33.59459 952.62651
2105.0000 -34.50853 -33.50355 1.00498 2.17290 -33.40294 966.03514
2110.0000 -35.56054 -33.36874 2.19180 2.19720 -33.24866 1020.79241
2115.0000 -35.97070 -34.20604 1.76466 2.08418 -33.96626 909.75416
2120.0000 -35.01544 -33.55830 1.45714 2.11807 -33.75107 908.76931
2125.0000 -35.75744 -34.18527 1.57217 2.11187 -33.79046 941.46577
2130.0000 -35.78502 -34.05138 1.73364 2.07735 -34.00962 859.51827
2135.0000 -36.32990 -34.64048 1.68943 1.98804 -34.57670 740.89044
2140.0000 -35.99395 -34.39296 1.60099 1.97548 -34.65647 692.06119
2145.0000 -35.83464 -34.33424 1.50040 1.98930 -34.56873 786.44427
2150.0000 -36.78819 -35.41974 1.36845 1.90910 -35.07794 699.94306
2155.0000 -36.44311 -35.01655 1.42656 1.89378 -35.17526 694.23088
2160.0000 -35.81202 -33.95620 1.85582 2.01246 -34.42166 791.66302
2165.0000 -35.55289 -34.02783 1.52507 2.03956 -34.24959 882.39063
2170.0000 -35.83540 -34.48030 1.35511 2.05056 -34.17975 844.26940
2175.0000 -35.27669 -33.56041 1.71628 2.12195 -33.72645 887.56232
2180.0000 -35.05638 -32.87700 2.17938 2.20092 -33.22504 1002.99149
2185.0000 -35.82295 -34.34111 1.48185 2.17417 -33.39489 954.24243
2190.0000 -36.57378 -34.65076 1.92302 1.97019 -34.69010 772.10025
2195.0000 -35.88245 -33.81876 2.06369 2.00970 -34.43921 815.74958
2200.0000 -36.42899 -34.71224 1.71675 2.00326 -34.48011 823.88953
2205.0000 -35.98696 -34.03765 1.94931 2.01986 -34.37469 827.92834
2210.0000 -35.75362 -33.55694 2.19667 2.12297 -33.71995 1016.58518
2215.0000 -35.08798 -33.56435 1.52363 2.13512 -33.64284 976.01585
2220.0000 -35.88074 -33.51741 2.36333 2.17085 -33.41594 927.90561
2225.0000 -34.95748 -32.87200 2.08548 2.22910 -33.04610 1010.68562
2230.0000 -34.51382 -32.66438 1.84944 2.26502 -32.81801 1093.66030
2235.0000 -36.18919 -34.20313 1.98606 2.14913 -33.55388 868.17366
2240.0000 -36.33949 -33.21923 3.12025 2.08173 -33.98184 939.61719
2245.0000 -35.51293 -33.17663 2.33630 2.17939 -33.36171 992.73694
2250.0000 -35.38979 -33.30555 2.08424 2.20685 -33.18740 1030.54349
FREEZING PROCESS: loop number 10 T-loop= 847.00000000000000
main_MD> interactions number 10 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.34269 0.32136 -2.56427
force_rgl> df(natom) -0.23926 3.64358 1.59424
2255.0000 -35.04780 -33.56422 1.48357 2.17894 -33.36460 1032.68606
2260.0000 -36.40890 -34.07744 2.33146 2.06992 -34.05683 909.85606
2265.0000 -36.01283 -34.50752 1.50531 2.12109 -33.73191 1045.81018
2270.0000 -35.70491 -33.14169 2.56322 2.06257 -34.10348 939.29364
2275.0000 -36.38300 -34.59642 1.78658 2.06939 -34.06017 935.86160
2280.0000 -36.56946 -34.87936 1.69010 1.97264 -34.67451 757.34514
2285.0000 -36.27106 -35.01249 1.25857 1.96016 -34.75375 708.04945
2290.0000 -35.58438 -33.96745 1.61693 2.05516 -34.15055 837.83396
2295.0000 -36.13108 -34.37324 1.75784 2.11624 -33.76269 939.72981
2300.0000 -35.90917 -34.02576 1.88342 2.02961 -34.31276 827.15790
2305.0000 -36.48629 -34.69717 1.78911 2.03510 -34.27790 867.66499
2310.0000 -36.40237 -34.74371 1.65866 2.00132 -34.49241 836.96922
2315.0000 -36.50800 -34.64332 1.86468 1.97399 -34.66593 808.07528
2320.0000 -35.36727 -33.46136 1.90591 2.06241 -34.10451 889.93115
2325.0000 -36.53197 -34.84514 1.68684 2.05992 -34.12032 840.46123
2330.0000 -36.16774 -34.67638 1.49136 1.92714 -34.96343 692.07825
2335.0000 -35.65147 -34.10466 1.54680 2.03132 -34.30189 828.80145
2340.0000 -35.57941 -33.97115 1.60825 2.05871 -34.12802 867.89249
2345.0000 -35.64654 -33.73788 1.90865 2.06729 -34.07355 818.90244
2350.0000 -35.70791 -33.50932 2.19859 2.10647 -33.82473 829.46593
2355.0000 -35.08088 -33.76114 1.31975 2.15565 -33.51250 867.96469
2360.0000 -36.45548 -34.69735 1.75812 2.08887 -33.93648 921.58618
2365.0000 -36.52942 -34.79241 1.73701 2.04311 -34.22708 840.17924
2370.0000 -35.50213 -33.45269 2.04943 2.01539 -34.40306 802.70923
2375.0000 -35.32387 -34.02628 1.29759 2.16092 -33.47903 937.07020
2380.0000 -36.30907 -35.09965 1.20942 1.92420 -34.98210 673.98623
2385.0000 -35.51111 -33.87243 1.63868 2.02948 -34.31358 836.43814
2390.0000 -35.76884 -33.48241 2.28643 2.12383 -33.71453 937.53106
2395.0000 -35.40767 -34.07593 1.33174 2.14871 -33.55653 978.60802
2400.0000 -35.46872 -33.49025 1.97847 2.08112 -33.98572 828.06988
2405.0000 -36.04530 -33.56754 2.47776 2.12531 -33.70514 972.43954
2410.0000 -35.77792 -34.25029 1.52763 2.10191 -33.85370 917.53696
2415.0000 -35.99064 -33.91100 2.07964 2.08963 -33.93170 887.10489
2420.0000 -36.47262 -34.11889 2.35372 2.11004 -33.80208 903.88331
2425.0000 -36.37185 -34.69707 1.67478 2.04141 -34.23786 870.52935
2430.0000 -36.92345 -34.77030 2.15316 1.94356 -34.85916 743.58599
2435.0000 -36.26205 -34.85189 1.41016 1.91859 -35.01772 726.04876
2440.0000 -35.64239 -34.49399 1.14840 2.03088 -34.30470 812.34667
2445.0000 -36.26021 -34.62068 1.63953 1.98064 -34.62372 784.93928
2450.0000 -36.25217 -34.36098 1.89119 1.97767 -34.64258 783.53294
2455.0000 -35.54549 -33.81860 1.72689 2.04120 -34.23921 855.96257
2460.0000 -35.87896 -33.89611 1.98285 2.11569 -33.76623 933.78845
2465.0000 -36.15394 -34.07721 2.07672 2.03114 -34.30308 876.39811
2470.0000 -36.20826 -34.57040 1.63786 2.03348 -34.28824 933.99340
2475.0000 -35.71210 -34.40194 1.31017 1.91744 -35.02504 701.46265
2480.0000 -36.15238 -34.57689 1.57548 2.04621 -34.20740 869.70984
2485.0000 -36.19840 -34.16451 2.03389 2.01867 -34.38224 806.52389
2490.0000 -36.43324 -34.83090 1.60234 1.94056 -34.87821 744.50660
2495.0000 -36.03099 -34.34113 1.68986 1.99236 -34.54929 831.93715
2500.0000 -36.06176 -34.52924 1.53253 2.01878 -34.38153 857.83346
FREEZING PROCESS: loop number 11 T-loop= 822.00000000000000
main_MD> interactions number 11 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08678 -0.43734 2.30774
force_rgl> df(natom) 1.53844 -2.20196 -1.71552
2505.0000 -36.33719 -34.72865 1.60855 1.95944 -34.75836 778.45026
2510.0000 -36.28693 -34.90874 1.37819 1.93738 -34.89842 742.89265
2515.0000 -36.56306 -35.01505 1.54801 1.95404 -34.79259 768.01154
2520.0000 -36.17714 -34.06748 2.10967 1.97418 -34.66477 797.07938
2525.0000 -36.32224 -35.02439 1.29785 2.01529 -34.40368 779.29677
2530.0000 -35.66926 -34.48067 1.18859 1.95153 -34.80857 772.65712
2535.0000 -36.27618 -34.57411 1.70207 1.98163 -34.61744 771.57588
2540.0000 -36.10238 -34.72604 1.37634 1.92230 -34.99418 735.17641
2545.0000 -35.75402 -33.45622 2.29781 2.13162 -33.66508 905.14085
2550.0000 -34.66122 -32.86486 1.79636 2.20248 -33.21511 922.63491
2555.0000 -35.87097 -34.05598 1.81499 2.13811 -33.62387 864.82838
2560.0000 -35.81258 -34.12355 1.68903 2.02375 -34.35000 826.87544
2565.0000 -35.85341 -34.54621 1.30720 2.01298 -34.41835 698.83699
2570.0000 -36.09083 -34.13047 1.96036 2.04066 -34.24262 838.47477
2575.0000 -36.36540 -33.98947 2.37593 2.02058 -34.37013 902.87666
2580.0000 -36.37219 -34.63526 1.73692 1.99484 -34.53354 809.55196
2585.0000 -35.71876 -34.25749 1.46127 1.99630 -34.52429 819.32236
2590.0000 -36.61483 -35.29870 1.31613 1.94364 -34.85865 744.73789
2595.0000 -36.71494 -35.17291 1.54203 1.88069 -35.25838 671.79725
2600.0000 -36.54102 -35.24175 1.29928 1.87907 -35.26866 657.81245
2605.0000 -35.61263 -34.53123 1.08139 1.94864 -34.82693 753.16916
2610.0000 -35.64416 -34.22010 1.42406 2.02309 -34.35416 821.40708
2615.0000 -35.52121 -33.75364 1.76757 2.13006 -33.67496 957.11208
2620.0000 -35.91724 -34.20668 1.71056 2.12986 -33.67621 991.84627
2625.0000 -35.36183 -33.91543 1.44640 2.08061 -33.98893 885.55381
2630.0000 -35.25970 -34.10324 1.15646 2.10778 -33.81646 901.85737
2635.0000 -35.44141 -33.70307 1.73834 2.13932 -33.61618 972.19251
2640.0000 -36.09976 -34.28995 1.80981 2.09070 -33.92487 871.15180
2645.0000 -35.84670 -34.71864 1.12806 1.95145 -34.80908 735.38383
2650.0000 -35.99843 -34.29467 1.70375 2.00437 -34.47301 770.23881
2655.0000 -35.98470 -33.62562 2.35908 2.07512 -34.02381 871.68251
2660.0000 -36.82255 -34.16550 2.65705 2.10352 -33.84349 956.35647
2665.0000 -35.25254 -33.81726 1.43528 2.02512 -34.34127 851.59137
2670.0000 -35.02203 -32.42625 2.59578 2.18743 -33.31069 966.54126
2675.0000 -34.97887 -33.00976 1.96911 2.31369 -32.50897 1150.61855
2680.0000 -35.07988 -33.11503 1.96485 2.14892 -33.55524 920.75156
2685.0000 -35.71318 -34.24466 1.46851 2.15064 -33.54431 976.92029
2690.0000 -35.30726 -33.42253 1.88473 2.15355 -33.52583 910.65653
2695.0000 -35.49859 -33.95685 1.54174 2.13558 -33.63991 972.95677
2700.0000 -36.09445 -34.42916 1.66528 2.01401 -34.41186 860.61417
2705.0000 -36.23631 -34.64206 1.59425 2.00341 -34.47913 846.05577
2710.0000 -36.75948 -34.99500 1.76448 1.95384 -34.79387 782.39707
2715.0000 -36.20788 -34.44549 1.76239 1.91427 -35.04511 697.13339
2720.0000 -36.11053 -34.44536 1.66517 2.02373 -34.35010 840.49047
2725.0000 -35.38402 -33.65191 1.73211 2.02996 -34.31058 842.30099
2730.0000 -34.98303 -32.95880 2.02423 2.13492 -33.64412 926.40382
2735.0000 -35.91968 -34.27625 1.64343 2.12498 -33.70722 929.72537
2740.0000 -36.11613 -34.63970 1.47643 1.99264 -34.54755 779.57355
2745.0000 -35.94660 -33.80414 2.14245 2.03036 -34.30802 841.54156
2750.0000 -35.88171 -34.50484 1.37687 2.03406 -34.28452 785.25229
FREEZING PROCESS: loop number 12 T-loop= 797.00000000000000
main_MD> interactions number 12 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01508 0.03851 0.14017
force_rgl> df(natom) 0.49686 -1.17110 -2.60802
2755.0000 -36.66658 -34.94149 1.72509 1.97242 -34.67592 796.79898
2760.0000 -36.04579 -34.10011 1.94568 1.97693 -34.64727 811.99304
2765.0000 -36.54419 -34.64099 1.90320 1.97855 -34.63696 788.08902
2770.0000 -36.35664 -35.26515 1.09149 2.01036 -34.43503 837.97084
2775.0000 -36.62091 -34.79669 1.82422 1.92984 -34.94629 731.09119
2780.0000 -36.39640 -34.97217 1.42423 2.00988 -34.43803 846.21729
2785.0000 -36.11124 -34.62154 1.48970 1.91839 -35.01900 706.68681
2790.0000 -36.60714 -35.39475 1.21240 1.91247 -35.05655 683.16048
2795.0000 -36.55415 -35.34698 1.20717 1.85543 -35.41874 623.18884
2800.0000 -36.97229 -35.87524 1.09704 1.87800 -35.27542 653.98729
2805.0000 -36.69237 -35.54776 1.14461 1.79842 -35.78073 546.16789
2810.0000 -35.64212 -34.12320 1.51892 1.92871 -34.95344 730.06519
2815.0000 -36.83912 -35.37179 1.46733 1.93093 -34.93938 742.23527
2820.0000 -36.21966 -35.10860 1.11106 1.88478 -35.23242 666.14224
2825.0000 -36.51841 -35.26923 1.24918 1.86565 -35.35386 648.96460
2830.0000 -36.82358 -35.24188 1.58171 1.90274 -35.11832 700.01629
2835.0000 -36.81875 -34.82025 1.99849 1.92941 -34.94902 697.26094
2840.0000 -36.62542 -35.18083 1.44459 1.89985 -35.13669 691.63018
2845.0000 -36.32418 -34.16693 2.15725 1.89338 -35.17779 689.38926
2850.0000 -35.38829 -33.72965 1.65864 2.09309 -33.90968 928.93355
2855.0000 -36.24953 -34.16196 2.08757 2.02175 -34.36268 789.08686
2860.0000 -35.15455 -33.23797 1.91658 2.15642 -33.50759 875.93631
2865.0000 -35.37409 -33.77091 1.60318 2.19387 -33.26977 1049.16374
2870.0000 -36.07423 -34.21475 1.85948 2.14381 -33.58765 961.80615
2875.0000 -36.76751 -35.10268 1.66483 1.97403 -34.66566 763.01069
2880.0000 -35.90756 -34.32629 1.58127 1.95820 -34.76622 739.55959
2885.0000 -35.88701 -34.39399 1.49302 1.97337 -34.66987 791.71472
2890.0000 -37.01060 -35.08195 1.92866 1.92727 -34.96259 761.08632
2895.0000 -36.16848 -34.52631 1.64217 1.96133 -34.74633 810.30638
2900.0000 -36.20606 -34.24587 1.96019 2.06457 -34.09082 875.38989
2905.0000 -35.73704 -34.14737 1.58967 2.04791 -34.19660 797.67221
2910.0000 -35.93032 -34.58332 1.34700 2.06876 -34.06420 860.19680
2915.0000 -35.72192 -33.94752 1.77440 2.08029 -33.99101 904.86508
2920.0000 -36.05674 -34.12153 1.93521 2.07954 -33.99574 934.90215
2925.0000 -36.94235 -35.20579 1.73657 1.96933 -34.69555 783.65072
2930.0000 -36.46478 -34.96626 1.49852 1.92662 -34.96676 730.89820
2935.0000 -36.35278 -34.48938 1.86340 1.97048 -34.68821 751.72830
2940.0000 -36.59517 -35.30698 1.28819 1.94828 -34.82918 761.11790
2945.0000 -36.37650 -34.80541 1.57109 1.89708 -35.15431 654.55090
2950.0000 -35.70211 -34.55552 1.14659 1.97867 -34.63625 771.56234
2955.0000 -36.36578 -34.72730 1.63848 1.96776 -34.70550 752.64365
2960.0000 -36.17712 -34.31546 1.86167 2.02029 -34.37196 738.24666
2965.0000 -35.71148 -34.48477 1.22671 1.98544 -34.59322 688.95192
2970.0000 -36.23492 -34.60179 1.63314 1.95731 -34.77186 769.31259
2975.0000 -36.84074 -35.24265 1.59809 1.95206 -34.80522 787.15726
2980.0000 -36.62775 -35.36381 1.26394 1.90483 -35.10508 707.97682
2985.0000 -35.55016 -33.57917 1.97099 1.99722 -34.51847 753.91760
2990.0000 -35.74653 -34.18517 1.56136 2.09862 -33.87457 830.93842
2995.0000 -36.03848 -33.78762 2.25086 2.06571 -34.08358 880.68737
3000.0000 -36.00808 -34.26185 1.74623 2.11155 -33.79250 954.25796
FREEZING PROCESS: loop number 13 T-loop= 772.00000000000000
main_MD> interactions number 13 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.59050 -3.14682 -2.30254
force_rgl> df(natom) 0.95937 -0.98744 -1.15526
3005.0000 -36.51310 -35.16426 1.34884 1.90722 -35.08990 651.94785
3010.0000 -36.18375 -34.53350 1.65025 1.96636 -34.71439 779.97171
3015.0000 -35.94117 -34.46837 1.47280 2.00394 -34.47575 790.46171
3020.0000 -36.30641 -34.89250 1.41390 2.01751 -34.38961 811.17410
3025.0000 -36.25738 -34.49491 1.76247 2.01533 -34.40347 818.32600
3030.0000 -36.13956 -34.65754 1.48202 1.97335 -34.67001 770.58547
3035.0000 -36.08609 -35.10582 0.98027 1.98682 -34.58446 820.14006
3040.0000 -36.02976 -34.00412 2.02564 1.97860 -34.63669 763.29910
3045.0000 -35.44244 -33.68528 1.75717 2.12002 -33.73871 906.68630
3050.0000 -35.47325 -33.70167 1.77158 2.19160 -33.28419 922.56759
3055.0000 -36.32619 -34.80422 1.52197 2.00087 -34.49530 789.24406
3060.0000 -36.63899 -35.07397 1.56502 1.96617 -34.71562 773.72926
3065.0000 -35.62853 -34.36992 1.25861 1.99983 -34.50186 855.64803
3070.0000 -36.31254 -34.89510 1.41744 1.94051 -34.87850 715.31461
3075.0000 -36.90672 -35.56978 1.33694 1.93899 -34.88819 738.85170
3080.0000 -36.36523 -34.65222 1.71301 1.88913 -35.20478 702.44946
3085.0000 -36.44583 -34.31085 2.13498 1.97995 -34.62809 842.85269
3090.0000 -35.80989 -34.09310 1.71679 1.97283 -34.67333 792.68487
3095.0000 -36.34755 -34.65964 1.68791 1.98042 -34.62514 831.88130
3100.0000 -36.08313 -34.12128 1.96185 1.98348 -34.60569 813.64385
3105.0000 -35.88175 -34.28074 1.60101 1.98725 -34.58172 800.55495
3110.0000 -35.69328 -34.22548 1.46780 2.02153 -34.36405 767.38334
3115.0000 -36.04879 -33.99613 2.05266 2.08211 -33.97941 904.41993
3120.0000 -35.78333 -34.26011 1.52322 2.01240 -34.42208 764.05691
3125.0000 -35.90107 -34.12241 1.77866 2.07620 -34.01692 912.52093
3130.0000 -35.36906 -33.64528 1.72377 2.02848 -34.31995 872.35897
3135.0000 -36.27937 -34.36507 1.91430 2.09357 -33.90667 847.40539
3140.0000 -36.27442 -34.41013 1.86429 2.03437 -34.28255 800.88896
3145.0000 -35.93434 -34.32453 1.60981 2.00805 -34.44968 818.56093
3150.0000 -35.66831 -34.37684 1.29147 1.99348 -34.54218 822.13126
3155.0000 -36.73656 -34.46806 2.26851 1.97659 -34.64947 714.48383
3160.0000 -36.24691 -34.83924 1.40767 1.99796 -34.51375 779.50581
3165.0000 -35.70967 -33.87389 1.83578 2.00194 -34.48844 770.54047
3170.0000 -35.61619 -33.53717 2.07903 2.13135 -33.66679 930.59478
3175.0000 -35.51055 -34.42518 1.08538 2.06531 -34.08608 840.43172
3180.0000 -36.17920 -34.01035 2.16884 2.02055 -34.37030 809.45468
3185.0000 -35.70887 -33.79735 1.91152 2.06311 -34.10008 888.24357
3190.0000 -36.15126 -34.57551 1.57575 1.99344 -34.54244 826.02675
3195.0000 -36.20926 -34.73610 1.47316 1.97444 -34.66309 740.26702
3200.0000 -36.57572 -35.26417 1.31154 1.94360 -34.85889 756.04206
3205.0000 -36.34670 -34.98326 1.36345 1.89370 -35.17574 645.36937
3210.0000 -36.26770 -34.76406 1.50364 1.96118 -34.74725 743.50685
3215.0000 -35.87309 -34.46062 1.41247 1.95670 -34.77571 716.33831
3220.0000 -36.19820 -33.97769 2.22052 2.03113 -34.30311 916.03820
3225.0000 -36.78174 -35.01318 1.76856 2.02936 -34.31440 842.39550
3230.0000 -35.82278 -34.39496 1.42782 1.95175 -34.80713 737.31667
3235.0000 -36.26860 -34.55430 1.71430 1.96330 -34.73381 718.61890
3240.0000 -36.06856 -34.20326 1.86530 1.99868 -34.50919 816.28088
3245.0000 -36.10309 -34.27388 1.82921 2.06502 -34.08797 873.23448
3250.0000 -36.42958 -35.18639 1.24319 2.00825 -34.44844 817.25294
FREEZING PROCESS: loop number 14 T-loop= 747.00000000000000
main_MD> interactions number 14 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78103 0.25394 0.53701
force_rgl> df(natom) -1.09121 -0.48850 -1.85328
3255.0000 -35.98708 -34.83849 1.14860 1.91877 -35.01655 710.45161
3260.0000 -35.68374 -34.08219 1.60155 1.92012 -35.00799 719.91321
3265.0000 -36.38690 -34.67867 1.70823 2.02345 -34.35190 810.27532
3270.0000 -36.28395 -34.53056 1.75339 2.00567 -34.46476 876.80476
3275.0000 -36.11244 -34.32471 1.78773 2.02673 -34.33109 819.90310
3280.0000 -36.27992 -34.74038 1.53954 1.99628 -34.52438 763.43097
3285.0000 -36.81719 -35.52725 1.28993 1.93311 -34.92552 747.82754
3290.0000 -36.68340 -35.06573 1.61768 1.88011 -35.26205 660.54319
3295.0000 -36.51433 -34.90094 1.61339 1.94035 -34.87951 740.61565
3300.0000 -36.09016 -34.79536 1.29480 1.97533 -34.65743 795.01050
3305.0000 -35.83579 -33.86148 1.97431 2.02242 -34.35840 801.30884
3310.0000 -36.42839 -34.91219 1.51620 2.01948 -34.37711 828.59123
3315.0000 -36.68090 -35.54646 1.13444 1.92767 -34.96004 697.59170
3320.0000 -36.58647 -34.35323 2.23324 1.92206 -34.99565 730.70345
3325.0000 -36.23433 -35.11260 1.12174 1.94069 -34.87736 727.89561
3330.0000 -36.74787 -35.53725 1.21062 1.96545 -34.72019 788.67848
3335.0000 -36.48035 -34.73643 1.74393 1.94275 -34.86434 732.07669
3340.0000 -36.44483 -34.90772 1.53711 1.98752 -34.58003 796.80698
3345.0000 -36.11366 -34.46684 1.64682 1.98073 -34.62316 750.06977
3350.0000 -36.45373 -35.20307 1.25066 1.96869 -34.69958 748.84527
3355.0000 -37.14793 -35.93179 1.21614 1.90869 -35.08057 660.22326
3360.0000 -36.29353 -35.04933 1.24419 1.83707 -35.53531 612.79251
3365.0000 -36.73498 -35.26191 1.47307 1.92172 -34.99786 715.22234
3370.0000 -36.07211 -34.22226 1.84985 1.97272 -34.67401 814.31566
3375.0000 -36.40202 -34.86968 1.53234 1.97293 -34.67266 801.89348
3380.0000 -36.63199 -35.11758 1.51440 1.89275 -35.18180 659.00258
3385.0000 -36.05862 -34.42222 1.63641 2.00939 -34.44114 782.13558
3390.0000 -36.69018 -35.82087 0.86931 1.91613 -35.03332 744.58518
3395.0000 -36.90828 -35.20516 1.70313 1.89563 -35.16352 718.98206
3400.0000 -36.47705 -34.86264 1.61441 1.89653 -35.15779 715.82952
3405.0000 -36.07940 -34.80314 1.27626 1.96063 -34.75079 712.49473
3410.0000 -36.21614 -34.46534 1.75080 1.93287 -34.92701 677.85922
3415.0000 -36.55636 -35.28198 1.27438 1.94960 -34.82079 717.20689
3420.0000 -36.99769 -35.28476 1.71293 1.92700 -34.96431 737.68248
3425.0000 -35.85365 -33.78073 2.07293 1.97633 -34.65107 774.51725
3430.0000 -35.81907 -34.23497 1.58409 2.07252 -34.04029 929.79233
3435.0000 -36.03958 -34.24221 1.79737 2.02196 -34.36135 868.80204
3440.0000 -35.53193 -34.04423 1.48770 2.07696 -34.01214 938.99708
3445.0000 -35.94770 -34.66434 1.28337 2.02260 -34.35728 811.11377
3450.0000 -36.54509 -34.77344 1.77166 1.95759 -34.77009 747.61631
3455.0000 -36.28560 -35.24517 1.04043 1.90786 -35.08586 699.06132
3460.0000 -36.20399 -34.36885 1.83514 1.96149 -34.74531 777.48664
3465.0000 -36.22861 -34.69332 1.53529 2.00336 -34.47949 771.29510
3470.0000 -36.43624 -35.32018 1.11606 1.96507 -34.72256 728.03168
3475.0000 -36.03466 -34.96186 1.07280 1.91699 -35.02787 695.86572
3480.0000 -36.74467 -34.23523 2.50944 1.99525 -34.53096 833.23755
3485.0000 -36.12255 -34.52648 1.59607 1.96915 -34.69670 736.58151
3490.0000 -35.61823 -33.89944 1.71879 2.05476 -34.15311 868.51058
3495.0000 -36.01562 -34.27815 1.73747 1.98193 -34.61556 796.49149
3500.0000 -36.40456 -35.05084 1.35372 1.99591 -34.52679 762.38682
FREEZING PROCESS: loop number 15 T-loop= 722.00000000000000
main_MD> interactions number 15 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95376 3.96176 -0.20472
force_rgl> df(natom) 2.52545 -1.30033 0.46553
3505.0000 -36.69732 -35.48291 1.21441 1.88183 -35.25110 626.85019
3510.0000 -36.58223 -35.25126 1.33097 1.85566 -35.41732 603.47853
3515.0000 -35.92346 -34.68265 1.24081 1.95497 -34.78669 762.84619
3520.0000 -35.90306 -34.67609 1.22697 1.97287 -34.67304 744.23581
3525.0000 -36.64705 -35.02247 1.62458 1.99157 -34.55431 788.16810
3530.0000 -36.53372 -35.20838 1.32534 1.92226 -34.99444 715.36050
3535.0000 -36.07306 -34.48265 1.59041 2.01739 -34.39040 851.52742
3540.0000 -36.01246 -34.37932 1.63314 1.99177 -34.55308 735.59538
3545.0000 -36.39674 -34.74616 1.65058 1.98574 -34.59132 702.32965
3550.0000 -36.43971 -34.82941 1.61031 1.97812 -34.63972 777.78546
3555.0000 -36.28836 -34.88111 1.40724 1.92934 -34.94947 702.68512
3560.0000 -36.69413 -34.86061 1.83352 1.90882 -35.07976 688.19242
3565.0000 -36.55495 -35.21599 1.33896 1.98546 -34.59314 756.38797
3570.0000 -36.08757 -35.19980 0.88777 1.91541 -35.03792 661.04392
3575.0000 -36.05854 -34.86370 1.19485 1.92765 -34.96021 653.85656
3580.0000 -35.95532 -34.70229 1.25303 1.96984 -34.69232 728.55492
3585.0000 -35.97351 -34.50160 1.47192 2.02434 -34.34626 813.07135
3590.0000 -36.94393 -35.38965 1.55428 2.01609 -34.39862 860.39230
3595.0000 -36.25470 -35.05760 1.19709 1.92707 -34.96386 756.90565
3600.0000 -36.06640 -34.38001 1.68639 1.97154 -34.68148 755.01487
3605.0000 -36.74478 -35.75022 0.99456 1.93675 -34.90239 723.70512
3610.0000 -36.37115 -34.49173 1.87942 1.87881 -35.27028 587.75619
3615.0000 -36.75137 -35.31135 1.44003 1.97660 -34.64938 820.04298
3620.0000 -36.59768 -35.17008 1.42760 1.90763 -35.08729 724.69482
3625.0000 -36.83159 -35.02164 1.80995 1.90592 -35.09819 685.58883
3630.0000 -35.86886 -34.67449 1.19437 1.91848 -35.01843 707.39942
3635.0000 -36.31960 -34.13626 2.18334 2.03072 -34.30570 852.67964
3640.0000 -36.14477 -34.66620 1.47856 2.00194 -34.48845 816.72986
3645.0000 -36.19783 -35.01922 1.17861 1.94463 -34.85235 777.02612
3650.0000 -36.96395 -35.42819 1.53576 1.87724 -35.28029 638.61656
3655.0000 -36.95998 -35.15348 1.80651 1.87614 -35.28724 697.16348
3660.0000 -36.58322 -35.48925 1.09397 1.85784 -35.40348 644.37799
3665.0000 -36.66040 -35.38177 1.27863 1.84552 -35.48165 627.48510
3670.0000 -36.29175 -35.04817 1.24358 1.90175 -35.12463 685.57200
3675.0000 -36.53759 -35.70297 0.83461 1.85458 -35.42413 580.37637
3680.0000 -36.81011 -35.56222 1.24789 1.82686 -35.60016 570.99230
3685.0000 -36.96146 -35.68135 1.28010 1.81278 -35.68960 593.75195
3690.0000 -36.91912 -35.60191 1.31721 1.79754 -35.78633 534.33675
3695.0000 -36.87136 -35.37569 1.49566 1.88262 -35.24612 679.35808
3700.0000 -36.83124 -35.77003 1.06121 1.86619 -35.35044 662.16138
3705.0000 -36.46165 -35.18794 1.27371 1.81376 -35.68334 573.29467
3710.0000 -36.27831 -34.56521 1.71310 1.95789 -34.76817 781.80600
3715.0000 -36.37443 -35.08988 1.28455 1.98066 -34.62359 799.46717
3720.0000 -36.19107 -34.42037 1.77070 2.02796 -34.32326 793.40624
3725.0000 -36.23036 -34.02746 2.20289 2.03259 -34.29384 727.50284
3730.0000 -36.54666 -35.14946 1.39719 1.91770 -35.02335 695.70018
3735.0000 -36.17410 -34.95642 1.21768 1.86388 -35.36509 598.69554
3740.0000 -36.24120 -34.79471 1.44649 1.92800 -34.95796 758.81541
3745.0000 -36.11100 -34.71606 1.39494 1.99277 -34.54673 846.53471
3750.0000 -35.59440 -34.31138 1.28302 1.99170 -34.55352 797.20015
FREEZING PROCESS: loop number 16 T-loop= 697.00000000000000
main_MD> interactions number 16 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81362 0.64984 -2.93863
force_rgl> df(natom) 4.11083 0.08392 1.74343
3755.0000 -36.47093 -35.28513 1.18580 1.95809 -34.76688 691.50145
3760.0000 -36.34400 -35.57009 0.77391 1.83644 -35.53933 587.05252
3765.0000 -36.34319 -35.03648 1.30671 1.89905 -35.14176 677.78457
3770.0000 -36.82792 -35.51600 1.31193 1.86960 -35.32876 632.77983
3775.0000 -36.70156 -35.25861 1.44295 1.86670 -35.34721 616.59094
3780.0000 -36.55798 -35.59012 0.96785 1.84303 -35.49748 615.83937
3785.0000 -37.05443 -35.96310 1.09133 1.77279 -35.94348 503.34667
3790.0000 -36.29310 -35.03246 1.26064 1.86526 -35.35632 644.04659
3795.0000 -36.35000 -34.71061 1.63939 1.97256 -34.67500 777.27271
3800.0000 -36.13728 -34.62567 1.51161 1.95736 -34.77154 741.36313
3805.0000 -36.26124 -34.63998 1.62127 1.99158 -34.55426 754.37923
3810.0000 -36.21412 -34.87647 1.33765 1.96538 -34.72061 726.90282
3815.0000 -36.45868 -35.20262 1.25606 1.90362 -35.11275 679.24388
3820.0000 -36.58925 -34.84384 1.74540 1.91662 -35.03022 731.82642
3825.0000 -36.94579 -35.54479 1.40101 1.88248 -35.24698 688.06221
3830.0000 -37.04765 -35.94780 1.09986 1.81899 -35.65013 583.75429
3835.0000 -37.08752 -36.13064 0.95687 1.73639 -36.17459 437.84924
3840.0000 -36.70527 -35.67366 1.03162 1.82150 -35.63417 597.23105
3845.0000 -37.26482 -35.63464 1.63018 1.78741 -35.85068 503.40697
3850.0000 -36.70284 -35.37368 1.32915 1.79743 -35.78704 555.47626
3855.0000 -36.60140 -35.15835 1.44305 1.84661 -35.47475 667.71789
3860.0000 -36.82614 -35.42138 1.40476 1.86721 -35.34398 635.02013
3865.0000 -36.93329 -35.59724 1.33605 1.83293 -35.56160 593.22074
3870.0000 -36.61742 -34.98578 1.63164 1.89833 -35.14638 657.99810
3875.0000 -36.75274 -35.67656 1.07618 1.90700 -35.09128 676.67302
3880.0000 -36.33492 -35.06973 1.26519 1.87444 -35.29803 660.19433
3885.0000 -36.02104 -34.69746 1.32358 1.92449 -34.98028 681.80364
3890.0000 -35.71516 -34.02129 1.69387 2.08780 -33.94329 896.14858
3895.0000 -36.43107 -35.04927 1.38180 2.03254 -34.29419 806.79201
3900.0000 -36.74648 -35.15728 1.58920 1.87309 -35.30663 660.24551
3905.0000 -35.79244 -34.30793 1.48452 1.97944 -34.63136 794.01058
3910.0000 -36.28774 -35.20562 1.08212 1.91034 -35.07011 653.58983
3915.0000 -36.15512 -34.63788 1.51724 1.91947 -35.01214 677.52064
3920.0000 -36.02525 -34.12239 1.90286 1.95924 -34.75959 707.85456
3925.0000 -35.79974 -34.04397 1.75577 2.02055 -34.37032 779.03325
3930.0000 -35.77331 -33.95092 1.82239 2.08428 -33.96567 859.57169
3935.0000 -36.30538 -34.12004 2.18534 2.05494 -34.15193 863.46279
3940.0000 -36.38344 -34.70501 1.67843 1.95092 -34.81242 745.23170
3945.0000 -36.70789 -35.58274 1.12515 1.89541 -35.16492 685.16050
3950.0000 -36.37192 -35.16497 1.20695 1.88031 -35.26076 669.03719
3955.0000 -36.39039 -34.95428 1.43611 1.92656 -34.96708 704.67532
3960.0000 -36.29123 -34.41572 1.87551 1.98392 -34.60287 770.38297
3965.0000 -36.46725 -34.59565 1.87160 1.99856 -34.50996 786.89614
3970.0000 -36.23235 -34.91353 1.31882 1.96328 -34.73397 756.19426
3975.0000 -36.31372 -34.47064 1.84308 1.98652 -34.58637 784.83484
3980.0000 -36.63669 -34.53698 2.09971 1.98929 -34.56877 781.44196
3985.0000 -35.57589 -34.18300 1.39289 2.01261 -34.42074 790.64302
3990.0000 -36.67596 -35.65616 1.01980 1.89440 -35.17128 627.20247
3995.0000 -36.83344 -35.68570 1.14773 1.82978 -35.58163 599.55779
4000.0000 -36.08705 -35.05002 1.03703 1.86490 -35.35864 591.38916
FREEZING PROCESS: loop number 17 T-loop= 672.00000000000000
main_MD> interactions number 17 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.68888 4.64199 11.67707
force_rgl> df(natom) 2.02450 -3.28825 -0.84967
4005.0000 -36.30070 -34.97581 1.32489 1.90455 -35.10689 626.20456
4010.0000 -35.49988 -33.91795 1.58193 2.05266 -34.16643 759.19412
4015.0000 -36.44228 -34.72615 1.71613 2.06129 -34.11159 744.95594
4020.0000 -36.35992 -34.98014 1.37979 1.94165 -34.87131 742.87318
4025.0000 -36.30849 -35.24227 1.06622 1.84796 -35.46619 631.82725
4030.0000 -35.58046 -34.34225 1.23821 1.97596 -34.65344 777.11779
4035.0000 -36.49284 -34.99612 1.49672 1.97057 -34.68768 735.83127
4040.0000 -36.69660 -35.25854 1.43806 1.86120 -35.38209 646.59715
4045.0000 -36.47328 -34.89371 1.57957 1.89738 -35.15237 658.30729
4050.0000 -36.28251 -34.96812 1.31439 1.94536 -34.84776 775.87553
4055.0000 -36.72761 -35.33386 1.39374 1.89727 -35.15308 675.63247
4060.0000 -36.39061 -34.65172 1.73888 1.91260 -35.05572 726.21213
4065.0000 -35.97369 -35.00043 0.97326 1.93367 -34.92197 728.08994
4070.0000 -36.42228 -35.30706 1.11522 1.88907 -35.20518 659.84683
4075.0000 -36.73968 -35.27568 1.46400 1.89252 -35.18326 692.85211
4080.0000 -36.40851 -35.06291 1.34560 1.94816 -34.82996 748.43100
4085.0000 -36.91754 -35.17786 1.73968 1.90436 -35.10808 660.97081
4090.0000 -37.25602 -34.77362 2.48241 1.91056 -35.06868 715.33056
4095.0000 -36.65925 -35.67486 0.98439 1.89638 -35.15876 664.56738
4100.0000 -36.96540 -35.72157 1.24382 1.81795 -35.65674 575.05326
4105.0000 -36.14956 -34.55288 1.59668 1.93066 -34.94110 723.90057
4110.0000 -37.14424 -35.48413 1.66011 1.91573 -35.03590 685.47112
4115.0000 -36.82465 -35.16305 1.66160 1.88594 -35.22503 686.01503
4120.0000 -36.69685 -35.41553 1.28132 1.87057 -35.32265 664.89120
4125.0000 -36.94633 -34.67678 2.26956 1.97409 -34.66529 796.76769
4130.0000 -36.76052 -35.75643 1.00409 1.88201 -35.24999 654.52412
4135.0000 -36.94320 -35.61183 1.33138 1.79112 -35.82710 536.91043
4140.0000 -36.72382 -35.13815 1.58567 1.88244 -35.24723 637.36273
4145.0000 -36.21737 -34.89223 1.32514 1.92863 -34.95399 711.83961
4150.0000 -36.73501 -35.44072 1.29429 1.86560 -35.35417 655.18663
4155.0000 -36.49507 -35.13752 1.35755 1.84998 -35.45336 612.54113
4160.0000 -36.42297 -35.22136 1.20162 1.90696 -35.09158 716.17305
4165.0000 -36.59399 -35.19225 1.40174 1.87089 -35.32061 669.00842
4170.0000 -36.83846 -35.82366 1.01480 1.87578 -35.28954 677.43496
4175.0000 -37.30996 -35.79668 1.51328 1.79804 -35.78314 527.14474
4180.0000 -36.83620 -35.57330 1.26290 1.80414 -35.74444 539.16539
4185.0000 -35.68434 -34.37163 1.31271 1.92045 -35.00591 708.10157
4190.0000 -36.07286 -34.54549 1.52736 1.97711 -34.64611 770.24452
4195.0000 -36.30048 -34.72827 1.57222 1.95962 -34.75719 784.55392
4200.0000 -36.83118 -35.04828 1.78289 1.91181 -35.06077 674.74014
4205.0000 -36.36062 -34.89197 1.46865 1.91842 -35.01878 755.16951
4210.0000 -36.56413 -35.15567 1.40846 1.91641 -35.03157 701.12391
4215.0000 -37.00538 -35.27346 1.73192 1.86670 -35.34722 663.74833
4220.0000 -36.29208 -34.39896 1.89311 1.94558 -34.84631 738.83468
4225.0000 -36.53688 -34.93321 1.60367 1.94506 -34.84966 728.82152
4230.0000 -36.53674 -35.04484 1.49190 1.93021 -34.94392 735.33392
4235.0000 -36.28220 -34.69146 1.59074 1.95840 -34.76495 766.81717
4240.0000 -35.96141 -34.52594 1.43547 1.94028 -34.87998 750.93429
4245.0000 -35.96954 -33.94127 2.02827 2.03428 -34.28313 861.08298
4250.0000 -35.82077 -34.63129 1.18948 2.03276 -34.29277 806.23494
FREEZING PROCESS: loop number 18 T-loop= 647.00000000000000
main_MD> interactions number 18 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91844 -1.01065 -4.76766
force_rgl> df(natom) 2.45670 1.03257 2.91228
4255.0000 -36.05482 -34.76202 1.29280 1.93969 -34.88371 728.28378
4260.0000 -36.16013 -34.54212 1.61801 1.94951 -34.82135 712.34478
4265.0000 -37.01159 -35.97400 1.03759 1.91342 -35.05056 672.53898
4270.0000 -36.72827 -35.51575 1.21252 1.82824 -35.59137 576.14040
4275.0000 -35.96979 -34.89509 1.07470 1.89350 -35.17702 665.48477
4280.0000 -36.91197 -35.46915 1.44282 1.91994 -35.00914 694.87163
4285.0000 -36.89333 -35.46265 1.43068 1.88210 -35.24942 632.79089
4290.0000 -36.30182 -35.32912 0.97270 1.83162 -35.56995 619.33994
4295.0000 -36.39933 -35.28400 1.11533 1.85939 -35.39359 644.68879
4300.0000 -36.73824 -35.40380 1.33444 1.83119 -35.57266 558.34276
4305.0000 -36.02282 -34.51706 1.50575 1.90361 -35.11280 667.66010
4310.0000 -36.72991 -35.56692 1.16299 1.89321 -35.17886 689.40590
4315.0000 -36.86767 -35.41772 1.44996 1.82310 -35.62403 568.66089
4320.0000 -36.62932 -35.39628 1.23304 1.86417 -35.36329 609.95584
4325.0000 -36.77734 -35.23173 1.54561 1.89731 -35.15283 670.23895
4330.0000 -36.58126 -35.56282 1.01844 1.83619 -35.54094 547.38745
4335.0000 -36.68181 -35.55796 1.12385 1.82494 -35.61238 565.83553
4340.0000 -37.27989 -36.12168 1.15821 1.75260 -36.07171 457.81777
4345.0000 -36.82862 -35.64830 1.18032 1.78747 -35.85029 527.52500
4350.0000 -36.63996 -35.35885 1.28111 1.83981 -35.51796 603.17510
4355.0000 -36.63377 -35.29713 1.33664 1.84120 -35.50909 622.96928
4360.0000 -36.76113 -35.63625 1.12488 1.83437 -35.55245 587.33706
4365.0000 -36.43369 -35.44363 0.99006 1.84524 -35.48344 594.95689
4370.0000 -36.12303 -34.96755 1.15548 1.91685 -35.02873 726.94666
4375.0000 -36.57114 -34.63731 1.93383 1.99343 -34.54251 812.73691
4380.0000 -36.26871 -34.08297 2.18574 2.03217 -34.29653 889.11411
4385.0000 -36.12577 -34.25691 1.86886 2.06513 -34.08727 869.69834
4390.0000 -36.28931 -35.10053 1.18879 1.95488 -34.78730 704.40338
4395.0000 -36.58300 -35.17812 1.40488 1.91234 -35.05738 728.58197
4400.0000 -36.71492 -35.61170 1.10322 1.86728 -35.34351 587.17656
4405.0000 -36.84570 -35.70587 1.13984 1.82154 -35.63397 589.13414
4410.0000 -37.11805 -35.78810 1.32996 1.77481 -35.93064 517.29235
4415.0000 -36.43150 -35.51353 0.91797 1.83294 -35.56153 578.74815
4420.0000 -36.64617 -35.18830 1.45787 1.87367 -35.30294 643.73763
4425.0000 -36.18480 -34.68739 1.49741 1.92449 -34.98022 705.74151
4430.0000 -36.64096 -34.56381 2.07714 1.95721 -34.77248 723.19534
4435.0000 -36.29963 -34.67312 1.62651 1.97471 -34.66138 795.49537
4440.0000 -35.79197 -34.84533 0.94664 1.91506 -35.04014 704.34543
4445.0000 -36.43978 -35.13013 1.30965 1.94965 -34.82048 777.00136
4450.0000 -36.99714 -35.23573 1.76141 1.92936 -34.94930 719.57250
4455.0000 -36.96312 -35.31698 1.64614 1.84843 -35.46322 620.58905
4460.0000 -36.85686 -35.61684 1.24002 1.86107 -35.38296 627.67261
4465.0000 -36.18735 -35.01339 1.17397 1.88147 -35.25343 663.11060
4470.0000 -36.68685 -35.42812 1.25873 1.86572 -35.35342 654.18982
4475.0000 -36.94940 -35.37143 1.57797 1.86558 -35.35433 605.00580
4480.0000 -36.13984 -34.28291 1.85693 1.93566 -34.90930 697.55379
4485.0000 -36.28031 -34.55469 1.72562 1.92290 -34.99032 682.05987
4490.0000 -36.16575 -34.92502 1.24073 1.90279 -35.11806 670.48799
4495.0000 -36.54561 -35.02148 1.52413 1.92944 -34.94883 735.82052
4500.0000 -36.19712 -34.50087 1.69625 1.93386 -34.92078 731.65239
FREEZING PROCESS: loop number 19 T-loop= 622.00000000000000
main_MD> interactions number 19 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87064 -0.67395 4.63833
force_rgl> df(natom) 4.57024 0.96628 -1.38614
4505.0000 -36.02769 -34.35092 1.67677 2.04556 -34.21149 827.14556
4510.0000 -36.67158 -34.25390 2.41768 2.06540 -34.08551 907.31124
4515.0000 -36.71528 -34.95994 1.75534 1.92270 -34.99160 718.65575
4520.0000 -36.38124 -34.74675 1.63449 1.94143 -34.87272 731.81605
4525.0000 -37.11861 -36.14651 0.97210 1.90021 -35.13443 659.86461
4530.0000 -36.67678 -35.87742 0.79936 1.77522 -35.92808 541.51757
4535.0000 -36.91622 -35.71282 1.20340 1.74928 -36.09276 483.64495
4540.0000 -36.68037 -35.64839 1.03197 1.83162 -35.56995 594.93209
4545.0000 -36.85645 -35.73413 1.12232 1.81064 -35.70312 546.38506
4550.0000 -37.05592 -35.64553 1.41039 1.82654 -35.60216 592.29756
4555.0000 -36.96987 -35.73073 1.23915 1.78979 -35.83555 525.10580
4560.0000 -36.41765 -35.44205 0.97560 1.88341 -35.24107 645.45243
4565.0000 -36.72053 -35.25608 1.46445 1.86006 -35.38935 615.83799
4570.0000 -36.58718 -35.41836 1.16883 1.87313 -35.30634 643.96692
4575.0000 -36.70483 -35.26380 1.44103 1.88810 -35.21134 640.19398
4580.0000 -36.12692 -35.03487 1.09205 1.91020 -35.07101 719.17703
4585.0000 -36.71343 -35.94073 0.77269 1.86444 -35.36154 642.23588
4590.0000 -36.73277 -35.83327 0.89951 1.82653 -35.60228 577.94572
4595.0000 -36.50501 -34.95673 1.54827 1.87373 -35.30256 645.25373
4600.0000 -36.45022 -34.66189 1.78833 1.97309 -34.67167 781.21421
4605.0000 -36.89463 -35.55765 1.33698 1.90252 -35.11977 655.14632
4610.0000 -36.77383 -35.51082 1.26300 1.88368 -35.23936 662.55698
4615.0000 -36.87049 -35.49820 1.37230 1.79586 -35.79699 526.77557
4620.0000 -36.68137 -35.61628 1.06509 1.87213 -35.31269 641.59579
4625.0000 -36.29447 -34.89079 1.40368 1.94005 -34.88143 758.93433
4630.0000 -35.96253 -34.85874 1.10379 1.93901 -34.88806 733.09016
4635.0000 -37.05546 -35.36808 1.68737 1.91640 -35.03164 659.88654
4640.0000 -36.77597 -35.07524 1.70073 1.87475 -35.29606 651.04574
4645.0000 -36.15097 -34.73287 1.41811 1.95794 -34.76782 776.99721
4650.0000 -36.19885 -35.12727 1.07157 1.93093 -34.93939 720.82686
4655.0000 -36.05035 -35.20097 0.84939 1.89936 -35.13980 627.89248
4660.0000 -36.99548 -35.56739 1.42808 1.82726 -35.59764 566.06938
4665.0000 -36.80693 -35.47625 1.33068 1.79468 -35.80452 538.07062
4670.0000 -36.68405 -35.33740 1.34666 1.80319 -35.75043 548.16219
4675.0000 -36.95010 -35.80773 1.14236 1.82455 -35.61481 593.04558
4680.0000 -36.90783 -35.77433 1.13350 1.80522 -35.73758 543.22816
4685.0000 -36.16411 -34.93482 1.22929 1.87147 -35.31694 609.91441
4690.0000 -35.97788 -34.11987 1.85801 1.98485 -34.59702 791.66980
4695.0000 -35.98367 -34.62541 1.35825 1.98311 -34.60803 776.53302
4700.0000 -36.87878 -35.43810 1.44068 1.94482 -34.85118 659.06605
4705.0000 -36.94232 -35.71826 1.22406 1.87274 -35.30887 647.22453
4710.0000 -36.70684 -35.77571 0.93112 1.83471 -35.55030 586.78528
4715.0000 -37.04925 -36.02315 1.02610 1.81957 -35.64645 578.59560
4720.0000 -36.99635 -35.84343 1.15292 1.81101 -35.70082 570.67953
4725.0000 -36.27521 -34.34523 1.92997 1.96306 -34.73534 762.72329
4730.0000 -35.96664 -34.68275 1.28389 1.99279 -34.54659 773.15038
4735.0000 -36.64642 -35.32318 1.32324 1.89783 -35.14951 619.51485
4740.0000 -36.37216 -35.01301 1.35914 1.87519 -35.29326 618.70647
4745.0000 -36.38537 -34.73793 1.64744 1.93307 -34.92577 696.55866
4750.0000 -37.04016 -35.60189 1.43828 1.91525 -35.03890 678.62221
FREEZING PROCESS: loop number 20 T-loop= 597.00000000000000
main_MD> interactions number 20 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09823 1.26970 -0.05979
force_rgl> df(natom) 2.03195 -0.22577 1.71104
4755.0000 -36.69165 -35.48457 1.20708 1.82659 -35.60188 603.33524
4760.0000 -37.08329 -35.73633 1.34696 1.77135 -35.95264 515.16923
4765.0000 -36.95699 -35.71723 1.23976 1.84087 -35.51121 640.21970
4770.0000 -37.22387 -35.94285 1.28102 1.77519 -35.92826 514.19959
4775.0000 -36.42486 -35.18778 1.23708 1.81759 -35.65900 576.25369
4780.0000 -36.51206 -35.49558 1.01648 1.86147 -35.38038 648.28777
4785.0000 -36.77280 -35.68049 1.09232 1.78578 -35.86100 540.76947
4790.0000 -36.63405 -35.39798 1.23607 1.82866 -35.58870 590.85159
4795.0000 -37.16221 -36.07299 1.08923 1.80380 -35.74658 570.92167
4800.0000 -36.71534 -35.71799 0.99735 1.78316 -35.87761 503.69015
4805.0000 -37.21015 -35.68875 1.52140 1.81269 -35.69013 581.90719
4810.0000 -36.86672 -35.93770 0.92902 1.77849 -35.90729 520.00585
4815.0000 -36.81579 -35.26895 1.54684 1.85881 -35.39730 616.61054
4820.0000 -36.83068 -35.65814 1.17255 1.84801 -35.46586 608.19642
4825.0000 -37.11771 -35.16202 1.95569 1.84904 -35.45931 591.59332
4830.0000 -36.77911 -35.73301 1.04610 1.83230 -35.56563 612.63311
4835.0000 -36.93870 -35.48849 1.45021 1.81173 -35.69622 592.91876
4840.0000 -36.92665 -35.61419 1.31246 1.80266 -35.75382 537.35736
4845.0000 -36.44167 -35.26388 1.17778 1.85845 -35.39957 631.11403
4850.0000 -36.62693 -35.54138 1.08555 1.87849 -35.27232 689.29681
4855.0000 -36.66377 -35.54465 1.11911 1.83119 -35.57265 560.97282
4860.0000 -36.87080 -34.77298 2.09783 1.84193 -35.50448 676.80538
4865.0000 -36.12112 -34.90803 1.21309 1.95838 -34.76508 764.72394
4870.0000 -36.53951 -34.79860 1.74091 1.97778 -34.64188 718.94651
4875.0000 -36.38796 -35.21758 1.17039 1.91182 -35.06073 685.43811
4880.0000 -36.51671 -34.99175 1.52496 1.86658 -35.34798 625.34131
4885.0000 -36.33669 -35.19474 1.14195 1.92008 -35.00827 733.81530
4890.0000 -36.65157 -35.24646 1.40510 1.85401 -35.42775 634.72149
4895.0000 -37.12000 -35.89084 1.22915 1.80433 -35.74323 585.85504
4900.0000 -36.76446 -35.77601 0.98845 1.83340 -35.55866 619.33902
4905.0000 -36.75307 -35.68434 1.06874 1.79397 -35.80899 534.00425
4910.0000 -37.09292 -36.06066 1.03226 1.79011 -35.83350 507.07047
4915.0000 -36.98172 -35.83596 1.14576 1.79895 -35.77741 526.45313
4920.0000 -37.13139 -36.22593 0.90546 1.76939 -35.96510 499.65758
4925.0000 -37.40149 -36.45807 0.94343 1.71385 -36.31776 437.28140
4930.0000 -36.65361 -35.69421 0.95941 1.78139 -35.88888 545.90203
4935.0000 -36.87546 -35.61302 1.26244 1.82164 -35.63331 559.36597
4940.0000 -36.32001 -35.11659 1.20343 1.86796 -35.33918 648.15015
4945.0000 -37.08999 -35.82919 1.26080 1.83214 -35.56663 549.55780
4950.0000 -36.60331 -35.74560 0.85771 1.77240 -35.94593 528.58174
4955.0000 -36.92064 -35.91239 1.00825 1.80421 -35.74400 541.80247
4960.0000 -36.85777 -35.49916 1.35861 1.84890 -35.46021 606.89444
4965.0000 -36.72923 -34.98087 1.74836 1.87306 -35.30682 609.90858
4970.0000 -37.23859 -36.08273 1.15586 1.87033 -35.32413 635.43829
4975.0000 -37.10281 -35.76206 1.34075 1.82020 -35.64248 611.72817
4980.0000 -37.23331 -36.10683 1.12648 1.75701 -36.04368 491.67728
4985.0000 -36.33526 -34.96760 1.36766 1.83801 -35.52934 608.15926
4990.0000 -36.58067 -34.73887 1.84180 1.92961 -34.94776 729.85049
4995.0000 -36.90078 -35.44534 1.45544 1.88847 -35.20895 672.10733
5000.0000 -37.28391 -35.83288 1.45103 1.83007 -35.57977 606.68421
FREEZING PROCESS: loop number 21 T-loop= 572.00000000000000
main_MD> interactions number 21 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54974 2.77759 0.70161
force_rgl> df(natom) 0.99697 1.74214 2.24144
5005.0000 -37.10146 -35.93650 1.16496 1.80296 -35.75195 558.56298
5010.0000 -36.99113 -36.11713 0.87400 1.77259 -35.94472 509.26078
5015.0000 -36.83565 -35.35955 1.47609 1.82894 -35.58699 589.05161
5020.0000 -36.42024 -35.17896 1.24129 1.87979 -35.26405 636.74654
5025.0000 -37.06092 -36.11493 0.94599 1.82255 -35.62752 565.32596
5030.0000 -36.84528 -35.70837 1.13691 1.78722 -35.85186 528.66234
5035.0000 -36.49181 -35.71956 0.77225 1.79409 -35.80821 526.77028
5040.0000 -36.86266 -36.09397 0.76868 1.78696 -35.85351 524.50104
5045.0000 -36.85470 -35.54607 1.30862 1.80787 -35.72071 566.76827
5050.0000 -36.29863 -34.92775 1.37088 1.89454 -35.17043 655.79524
5055.0000 -36.70316 -35.30759 1.39557 1.93435 -34.91767 718.64650
5060.0000 -36.80021 -35.96799 0.83222 1.81431 -35.67985 533.11564
5065.0000 -37.10954 -35.84344 1.26610 1.77995 -35.89804 511.08089
5070.0000 -36.54588 -35.32017 1.22572 1.85114 -35.44602 634.50797
5075.0000 -37.00273 -35.86133 1.14140 1.82541 -35.60937 580.19686
5080.0000 -37.06799 -36.09288 0.97510 1.73774 -36.16605 468.36867
5085.0000 -37.29400 -36.29216 1.00183 1.71977 -36.28013 429.66116
5090.0000 -37.22529 -36.17618 1.04911 1.69612 -36.43030 415.02379
5095.0000 -36.13128 -34.83014 1.30115 1.87827 -35.27370 697.95022
5100.0000 -36.26908 -35.08173 1.18735 1.92596 -34.97093 659.42504
5105.0000 -36.56223 -35.18100 1.38123 1.93042 -34.94263 729.29878
5110.0000 -37.10044 -35.90240 1.19804 1.78483 -35.86702 524.96727
5115.0000 -37.01075 -35.96590 1.04485 1.76900 -35.96757 507.79013
5120.0000 -37.24096 -36.11507 1.12589 1.77667 -35.91882 526.22412
5125.0000 -37.06631 -35.95138 1.11494 1.77117 -35.95375 502.41884
5130.0000 -36.66577 -35.54673 1.11903 1.80444 -35.74254 576.99648
5135.0000 -36.64431 -35.61104 1.03327 1.83944 -35.52028 626.06348
5140.0000 -37.14692 -36.08297 1.06395 1.81255 -35.69104 554.06761
5145.0000 -37.08463 -35.86057 1.22406 1.76000 -36.02472 485.33372
5150.0000 -37.23921 -36.34153 0.89768 1.77395 -35.93612 471.17858
5155.0000 -37.10886 -35.97339 1.13547 1.71843 -36.28868 458.46716
5160.0000 -37.06141 -36.20785 0.85355 1.75602 -36.04999 472.89544
5165.0000 -36.58745 -35.43963 1.14782 1.78069 -35.89334 518.95873
5170.0000 -36.87646 -35.64349 1.23296 1.80963 -35.70956 587.59815
5175.0000 -36.86866 -35.76691 1.10174 1.78537 -35.86360 489.79169
5180.0000 -36.63653 -35.48097 1.15556 1.78969 -35.83616 539.34324
5185.0000 -36.41690 -35.53033 0.88657 1.81009 -35.70665 554.97103
5190.0000 -36.80472 -35.78361 1.02111 1.85784 -35.40344 612.84403
5195.0000 -37.00033 -35.48896 1.51137 1.82772 -35.59470 603.14313
5200.0000 -37.06481 -35.66167 1.40314 1.82540 -35.60944 575.08847
5205.0000 -36.96044 -35.83319 1.12724 1.81073 -35.70257 559.05110
5210.0000 -36.88614 -35.79695 1.08919 1.80912 -35.71277 601.09373
5215.0000 -37.10322 -36.38813 0.71509 1.74611 -36.11290 470.01603
5220.0000 -36.80171 -35.56699 1.23472 1.74897 -36.09475 477.59790
5225.0000 -37.09967 -35.84493 1.25473 1.81558 -35.67178 597.93822
5230.0000 -36.79278 -35.52506 1.26772 1.86896 -35.33283 633.21582
5235.0000 -36.89250 -36.07430 0.81820 1.78408 -35.87182 526.21827
5240.0000 -36.86741 -35.89315 0.97426 1.74673 -36.10898 480.93217
5245.0000 -36.75257 -35.47316 1.27941 1.82006 -35.64335 606.43710
5250.0000 -37.20141 -35.95019 1.25123 1.81656 -35.66553 603.03368
FREEZING PROCESS: loop number 22 T-loop= 547.00000000000000
main_MD> interactions number 22 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53683 -2.65896 -0.17753
force_rgl> df(natom) 1.61845 1.96649 3.37235
5255.0000 -37.27549 -36.03245 1.24304 1.75250 -36.07235 474.50189
5260.0000 -36.36682 -35.56908 0.79773 1.80421 -35.74401 544.02683
5265.0000 -37.03676 -36.17714 0.85962 1.81715 -35.66180 568.71759
5270.0000 -37.16356 -35.66246 1.50109 1.78998 -35.83432 568.14267
5275.0000 -37.07452 -35.84089 1.23364 1.78944 -35.83774 564.26018
5280.0000 -37.12188 -36.09360 1.02828 1.75251 -36.07225 478.89905
5285.0000 -37.31661 -36.15019 1.16642 1.75309 -36.06857 487.87002
5290.0000 -36.96002 -35.66384 1.29618 1.73443 -36.18707 481.15184
5295.0000 -37.48777 -36.18923 1.29853 1.78725 -35.85169 540.79939
5300.0000 -37.47113 -36.28081 1.19033 1.70378 -36.38167 407.18854
5305.0000 -37.26388 -36.52710 0.73678 1.72295 -36.25994 458.68517
5310.0000 -36.73365 -35.85160 0.88205 1.73342 -36.19350 463.34161
5315.0000 -37.14490 -36.36002 0.78488 1.71989 -36.27938 447.32540
5320.0000 -36.87523 -35.79250 1.08273 1.73116 -36.20783 451.21496
5325.0000 -36.47768 -35.17849 1.29919 1.83588 -35.54287 622.06129
5330.0000 -36.86683 -35.81127 1.05556 1.83768 -35.53145 578.29799
5335.0000 -36.80870 -35.37314 1.43556 1.85772 -35.40420 620.45844
5340.0000 -37.12086 -35.66150 1.45936 1.82323 -35.62321 567.84092
5345.0000 -36.70489 -35.04571 1.65918 1.85837 -35.40005 641.08879
5350.0000 -36.54651 -35.43794 1.10856 1.85736 -35.40649 651.83419
5355.0000 -36.78086 -35.83469 0.94616 1.87205 -35.31320 633.23191
5360.0000 -36.81732 -35.71589 1.10143 1.80599 -35.73270 539.98685
5365.0000 -37.04437 -35.88313 1.16124 1.78812 -35.84614 521.79158
5370.0000 -37.32805 -36.41498 0.91307 1.73040 -36.21263 448.24307
5375.0000 -36.89916 -35.68380 1.21535 1.76713 -35.97945 505.82445
5380.0000 -37.18414 -36.27927 0.90488 1.79015 -35.83324 561.61740
5385.0000 -37.48581 -36.29388 1.19193 1.73561 -36.17958 450.66359
5390.0000 -37.18246 -36.22920 0.95326 1.70956 -36.34496 423.73060
5395.0000 -36.87833 -35.85932 1.01901 1.77111 -35.95418 493.27310
5400.0000 -36.70045 -35.01462 1.68583 1.85201 -35.44046 653.12569
5405.0000 -36.79051 -35.39021 1.40030 1.89709 -35.15425 668.11190
5410.0000 -36.89895 -35.82586 1.07309 1.83065 -35.57611 603.07498
5415.0000 -36.77773 -35.46438 1.31335 1.81389 -35.68250 560.74591
5420.0000 -37.05445 -35.79985 1.25460 1.82327 -35.62295 563.83260
5425.0000 -37.06837 -36.13858 0.92979 1.78091 -35.89192 527.96479
5430.0000 -36.83094 -35.73681 1.09413 1.75906 -36.03068 505.23861
5435.0000 -37.11193 -36.23100 0.88093 1.70593 -36.36804 432.55565
5440.0000 -36.76710 -35.61319 1.15391 1.80633 -35.73049 565.00923
5445.0000 -36.40269 -35.01690 1.38579 1.90824 -35.08340 687.06948
5450.0000 -37.08796 -36.13959 0.94836 1.86870 -35.33449 620.16958
5455.0000 -36.31440 -34.77322 1.54117 1.80487 -35.73979 538.87884
5460.0000 -36.81212 -35.74660 1.06552 1.86932 -35.33057 670.53130
5465.0000 -37.27475 -36.12427 1.15048 1.80018 -35.76957 542.38498
5470.0000 -36.80965 -36.01472 0.79492 1.79259 -35.81774 562.53112
5475.0000 -37.09096 -36.08426 1.00670 1.73550 -36.18026 476.49255
5480.0000 -36.95581 -36.10462 0.85119 1.75797 -36.03759 485.65320
5485.0000 -36.63295 -35.72776 0.90519 1.76740 -35.97773 514.25134
5490.0000 -36.02341 -34.88882 1.13459 1.89632 -35.15913 625.69788
5495.0000 -36.48774 -35.31108 1.17666 1.90248 -35.12002 623.34014
5500.0000 -36.52852 -35.65567 0.87285 1.84625 -35.47702 616.07554
FREEZING PROCESS: loop number 23 T-loop= 522.00000000000000
main_MD> interactions number 23 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.07282 1.86567 1.25515
force_rgl> df(natom) -2.18035 -0.11380 1.34045
5505.0000 -36.40869 -34.98747 1.42122 1.81299 -35.68821 595.68365
5510.0000 -36.75700 -35.71794 1.03906 1.87491 -35.29505 683.74777
5515.0000 -36.88963 -36.19374 0.69589 1.78866 -35.84275 518.65390
5520.0000 -37.13129 -36.07204 1.05926 1.77232 -35.94647 520.11438
5525.0000 -37.06089 -36.11357 0.94732 1.78743 -35.85052 514.23997
5530.0000 -36.67353 -35.17847 1.49505 1.84452 -35.48800 617.80343
5535.0000 -37.28689 -36.16371 1.12319 1.82211 -35.63033 568.90595
5540.0000 -36.77125 -36.17202 0.59923 1.73690 -36.17138 452.08790
5545.0000 -37.13284 -35.75175 1.38109 1.81020 -35.70593 569.48548
5550.0000 -36.89873 -35.24748 1.65125 1.83019 -35.57899 590.65128
5555.0000 -36.97604 -35.73310 1.24295 1.88655 -35.22116 668.85595
5560.0000 -36.88421 -35.11314 1.77108 1.84206 -35.50364 584.51036
5565.0000 -36.65171 -35.85118 0.80053 1.84383 -35.49243 540.53418
5570.0000 -36.99381 -35.89385 1.09996 1.81801 -35.65636 539.46110
5575.0000 -36.98492 -36.22839 0.75653 1.75699 -36.04379 492.24991
5580.0000 -36.85709 -35.51961 1.33749 1.76999 -35.96125 496.83374
5585.0000 -37.26104 -36.10113 1.15991 1.83054 -35.57681 589.27867
5590.0000 -37.17120 -35.91365 1.25756 1.76537 -35.99061 509.60957
5595.0000 -36.81243 -35.74380 1.06863 1.81921 -35.64872 574.72644
5600.0000 -36.80503 -36.00588 0.79915 1.79498 -35.80260 544.76219
5605.0000 -37.12914 -35.55305 1.57609 1.80382 -35.74646 540.20850
5610.0000 -36.50117 -35.70361 0.79755 1.81957 -35.64648 576.55442
5615.0000 -37.17742 -35.90040 1.27701 1.76904 -35.96730 485.45926
5620.0000 -36.58464 -35.64518 0.93946 1.84474 -35.48661 622.00862
5625.0000 -37.18102 -36.00521 1.17580 1.79871 -35.77892 552.60060
5630.0000 -37.35509 -36.36567 0.98941 1.71175 -36.33104 399.27319
5635.0000 -36.97106 -35.84314 1.12792 1.75826 -36.03576 495.58220
5640.0000 -36.82510 -35.75923 1.06587 1.77287 -35.94298 516.18907
5645.0000 -37.24539 -35.86945 1.37594 1.81691 -35.66331 591.08698
5650.0000 -36.93702 -35.55143 1.38560 1.77309 -35.94157 516.88149
5655.0000 -36.64356 -35.86486 0.77870 1.77978 -35.89908 479.19227
5660.0000 -36.97558 -36.10713 0.86845 1.77966 -35.89987 496.18249
5665.0000 -36.60945 -35.57971 1.02974 1.78025 -35.89615 499.45773
5670.0000 -36.96336 -35.81809 1.14527 1.82093 -35.63779 607.96256
5675.0000 -36.94068 -35.90887 1.03180 1.77731 -35.91478 517.43141
5680.0000 -36.99415 -35.75813 1.23602 1.80103 -35.76417 543.96790
5685.0000 -37.19218 -36.19142 1.00076 1.77178 -35.94989 508.81875
5690.0000 -37.30215 -36.33875 0.96340 1.73656 -36.17352 448.28338
5695.0000 -37.03938 -36.30249 0.73689 1.70640 -36.36504 407.38513
5700.0000 -37.06473 -36.10329 0.96144 1.72994 -36.21554 432.71749
5705.0000 -36.95267 -35.98745 0.96522 1.75500 -36.05643 509.95763
5710.0000 -37.34517 -36.52902 0.81615 1.72045 -36.27583 424.38361
5715.0000 -37.35366 -36.37484 0.97882 1.72501 -36.24684 445.87455
5720.0000 -37.02449 -36.19497 0.82952 1.72333 -36.25753 449.39811
5725.0000 -36.94860 -35.72128 1.22732 1.76261 -36.00811 511.16277
5730.0000 -36.17588 -35.31682 0.85906 1.86696 -35.34557 620.55724
5735.0000 -36.76960 -35.87594 0.89366 1.83155 -35.57039 589.16136
5740.0000 -36.46592 -34.99544 1.47048 1.87440 -35.29831 675.21987
5745.0000 -36.93182 -35.48985 1.44197 1.84860 -35.46215 605.11886
5750.0000 -36.85178 -35.44536 1.40643 1.82164 -35.63333 576.23864
FREEZING PROCESS: loop number 24 T-loop= 497.00000000000000
main_MD> interactions number 24 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96998 -0.20260 -0.29804
force_rgl> df(natom) -0.83508 3.29928 -0.08946
5755.0000 -36.90105 -36.04599 0.85507 1.79790 -35.78405 562.01497
5760.0000 -36.81676 -35.71170 1.10506 1.83707 -35.53531 620.26507
5765.0000 -37.05124 -36.06295 0.98829 1.75299 -36.06920 459.88886
5770.0000 -36.80915 -35.98959 0.81956 1.76891 -35.96812 513.44542
5775.0000 -37.19326 -36.34328 0.84998 1.72500 -36.24696 439.86579
5780.0000 -36.76028 -36.08832 0.67195 1.72638 -36.23817 445.01298
5785.0000 -37.21601 -36.05243 1.16358 1.74717 -36.10615 469.31971
5790.0000 -37.30003 -36.39447 0.90556 1.75836 -36.03513 494.13870
5795.0000 -37.32063 -36.30896 1.01167 1.73232 -36.20048 445.11557
5800.0000 -37.12643 -36.00381 1.12263 1.73299 -36.19617 458.19176
5805.0000 -37.29189 -36.47843 0.81347 1.72281 -36.26082 447.97229
5810.0000 -37.31896 -36.45287 0.86609 1.70924 -36.34700 447.27287
5815.0000 -36.85557 -35.82208 1.03349 1.72710 -36.23360 448.19567
5820.0000 -36.76592 -36.00525 0.76066 1.76197 -36.01222 483.01647
5825.0000 -36.91025 -35.93009 0.98016 1.78923 -35.83907 518.97093
5830.0000 -37.26039 -36.21689 1.04350 1.76416 -35.99827 488.79530
5835.0000 -37.31286 -36.12921 1.18365 1.76257 -36.00838 502.19485
5840.0000 -37.28299 -36.06537 1.21762 1.76064 -36.02066 507.03657
5845.0000 -37.24044 -36.43281 0.80763 1.70328 -36.38482 416.37459
5850.0000 -36.77787 -35.84149 0.93638 1.73868 -36.16005 451.06255
5855.0000 -36.87316 -35.98104 0.89212 1.72752 -36.23094 451.64122
5860.0000 -37.03823 -35.92226 1.11597 1.76361 -36.00177 456.82666
5865.0000 -37.03141 -36.16096 0.87045 1.74370 -36.12818 449.58862
5870.0000 -36.93593 -35.66212 1.27381 1.76111 -36.01764 491.59193
5875.0000 -36.98900 -36.10977 0.87923 1.78479 -35.86729 543.36989
5880.0000 -36.74767 -35.84664 0.90103 1.74513 -36.11914 498.27567
5885.0000 -37.22297 -36.09967 1.12330 1.75019 -36.08701 477.22712
5890.0000 -36.99773 -35.95810 1.03964 1.76233 -36.00989 493.89181
5895.0000 -37.02901 -36.42860 0.60040 1.75168 -36.07756 466.01415
5900.0000 -37.06856 -36.24390 0.82465 1.70812 -36.35412 409.78599
5905.0000 -37.12676 -36.06373 1.06302 1.74854 -36.09745 495.43005
5910.0000 -37.32606 -36.61319 0.71287 1.72155 -36.26881 427.33735
5915.0000 -37.15072 -35.94274 1.20798 1.72271 -36.26150 444.17732
5920.0000 -36.85786 -35.82651 1.03135 1.74435 -36.12408 465.24289
5925.0000 -37.16698 -36.40709 0.75989 1.75893 -36.03150 500.69497
5930.0000 -37.22611 -36.54917 0.67694 1.66740 -36.61267 342.10303
5935.0000 -36.86712 -36.02688 0.84024 1.72476 -36.24848 431.12727
5940.0000 -37.19202 -35.91936 1.27267 1.78247 -35.88199 499.02511
5945.0000 -36.82840 -35.81066 1.01775 1.77976 -35.89925 537.46058
5950.0000 -36.83739 -35.76921 1.06818 1.78572 -35.86142 515.17138
5955.0000 -37.12207 -36.49781 0.62426 1.74363 -36.12866 477.38768
5960.0000 -37.36560 -36.63650 0.72910 1.67301 -36.57707 381.29878
5965.0000 -37.17226 -35.44384 1.72842 1.73375 -36.19138 459.56928
5970.0000 -37.41143 -36.42977 0.98166 1.81041 -35.70461 584.91503
5975.0000 -37.15783 -36.49453 0.66330 1.68765 -36.48408 397.13768
5980.0000 -37.27267 -36.16443 1.10824 1.71644 -36.30128 440.84997
5985.0000 -36.96147 -35.80763 1.15384 1.72709 -36.23365 454.00587
5990.0000 -37.08086 -36.00659 1.07428 1.79143 -35.82512 546.14120
5995.0000 -36.75542 -35.50584 1.24958 1.79233 -35.81941 525.73636
6000.0000 -36.99053 -35.83927 1.15125 1.79027 -35.83249 493.96653
FREEZING PROCESS: loop number 25 T-loop= 472.00000000000000
main_MD> interactions number 25 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.98678 -3.64294 4.52554
force_rgl> df(natom) 1.00607 -0.87740 2.72808
6005.0000 -37.00623 -35.89455 1.11168 1.78692 -35.85375 533.27640
6010.0000 -36.84795 -35.97604 0.87191 1.75675 -36.04533 501.45642
6015.0000 -36.75591 -35.87174 0.88418 1.77381 -35.93703 501.86107
6020.0000 -37.24925 -36.26934 0.97992 1.75518 -36.05532 498.49391
6025.0000 -37.41524 -36.52787 0.88737 1.70168 -36.39501 415.95501
6030.0000 -36.88178 -35.96312 0.91865 1.74419 -36.12508 475.12816
6035.0000 -37.15206 -35.84667 1.30539 1.76915 -35.96663 490.07802
6040.0000 -36.92621 -36.04628 0.87993 1.79691 -35.79033 529.09738
6045.0000 -37.31294 -36.22666 1.08628 1.79199 -35.82160 503.22406
6050.0000 -37.10620 -36.20495 0.90125 1.75521 -36.05508 491.56723
6055.0000 -36.81651 -36.15065 0.66587 1.75865 -36.03324 496.47483
6060.0000 -37.12557 -35.89598 1.22959 1.75479 -36.05780 491.49199
6065.0000 -37.16542 -36.24270 0.92272 1.78019 -35.89652 529.64490
6070.0000 -36.79509 -36.16241 0.63268 1.71787 -36.29221 413.40933
6075.0000 -37.25452 -36.21616 1.03836 1.71628 -36.30231 437.81315
6080.0000 -37.41963 -36.11171 1.30792 1.76851 -35.97068 536.57835
6085.0000 -37.24972 -36.26096 0.98876 1.73792 -36.16489 457.59167
6090.0000 -36.87383 -35.76411 1.10971 1.76525 -35.99137 489.44562
6095.0000 -37.07288 -36.04950 1.02338 1.79453 -35.80541 532.01304
6100.0000 -37.02732 -36.08233 0.94498 1.74020 -36.15039 463.14553
6105.0000 -37.32815 -36.30375 1.02440 1.76971 -35.96307 490.32140
6110.0000 -37.36211 -36.68103 0.68107 1.68578 -36.49597 397.71302
6115.0000 -37.15039 -36.24549 0.90490 1.69121 -36.46148 387.31822
6120.0000 -37.02786 -36.15478 0.87308 1.73918 -36.15687 450.48079
6125.0000 -37.10040 -35.61465 1.48575 1.79896 -35.77734 552.32351
6130.0000 -36.86239 -35.66355 1.19884 1.80451 -35.74206 566.71988
6135.0000 -36.75608 -35.82770 0.92838 1.80748 -35.72321 544.76098
6140.0000 -37.10622 -35.94568 1.16054 1.76057 -36.02107 489.39671
6145.0000 -36.98724 -36.04589 0.94135 1.76233 -36.00989 484.58999
6150.0000 -37.17741 -36.38939 0.78802 1.76211 -36.01128 506.87127
6155.0000 -37.16313 -36.41673 0.74640 1.69787 -36.41922 399.87971
6160.0000 -37.25363 -36.25775 0.99588 1.72013 -36.27783 431.61617
6165.0000 -37.11035 -35.89584 1.21450 1.77313 -35.94132 500.60834
6170.0000 -37.08532 -36.13529 0.95003 1.73542 -36.18077 463.69576
6175.0000 -37.01371 -36.19202 0.82169 1.71651 -36.30086 440.03188
6180.0000 -37.10665 -35.70493 1.40171 1.78349 -35.87553 512.89960
6185.0000 -37.25590 -36.39312 0.86278 1.76661 -35.98271 475.34407
6190.0000 -37.37057 -36.28209 1.08849 1.70511 -36.37323 407.38983
6195.0000 -37.14097 -36.22330 0.91767 1.72310 -36.25902 431.50829
6200.0000 -37.24173 -36.35055 0.89118 1.73560 -36.17965 458.13447
6205.0000 -36.99049 -36.19084 0.79965 1.72516 -36.24589 473.06122
6210.0000 -36.95177 -35.60332 1.34845 1.78852 -35.84362 530.86255
6215.0000 -37.03997 -35.89510 1.14487 1.78347 -35.87567 533.02894
6220.0000 -37.21298 -36.04709 1.16589 1.75118 -36.08072 478.33535
6225.0000 -37.04378 -35.90072 1.14306 1.74693 -36.10772 461.17771
6230.0000 -37.15130 -36.21226 0.93904 1.75594 -36.05047 489.72004
6235.0000 -37.10609 -36.17850 0.92758 1.72697 -36.23441 426.65172
6240.0000 -37.01491 -36.18518 0.82973 1.73394 -36.19017 459.15763
6245.0000 -37.13467 -36.17190 0.96276 1.74004 -36.15145 469.36346
6250.0000 -37.46618 -36.65740 0.80878 1.71176 -36.33100 424.31716
FREEZING PROCESS: loop number 26 T-loop= 447.00000000000000
main_MD> interactions number 26 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.34573 -1.71512 1.39787
force_rgl> df(natom) 0.10693 -1.01477 0.07578
6255.0000 -37.10910 -36.24194 0.86716 1.69891 -36.41259 407.87990
6260.0000 -37.28890 -36.28284 1.00606 1.71536 -36.30815 453.52888
6265.0000 -37.28424 -36.47673 0.80752 1.71279 -36.32447 436.36396
6270.0000 -36.70114 -35.68896 1.01218 1.73133 -36.20677 471.67065
6275.0000 -37.13800 -36.17932 0.95868 1.76719 -35.97906 487.13976
6280.0000 -37.01388 -36.29675 0.71713 1.73194 -36.20287 461.99406
6285.0000 -37.32193 -36.06556 1.25637 1.75061 -36.08434 471.63410
6290.0000 -37.40844 -36.40309 1.00535 1.71933 -36.28291 438.69403
6295.0000 -37.33260 -36.50529 0.82730 1.69498 -36.43754 389.60570
6300.0000 -36.80926 -35.44610 1.36316 1.75143 -36.07908 487.92731
6305.0000 -37.13396 -35.97295 1.16101 1.80058 -35.76705 565.69463
6310.0000 -37.29085 -36.50191 0.78893 1.73325 -36.19453 447.96350
6315.0000 -37.04464 -36.19929 0.84535 1.69976 -36.40722 415.52313
6320.0000 -37.25967 -36.47681 0.78287 1.71195 -36.32977 430.22116
6325.0000 -37.43207 -36.78331 0.64876 1.64672 -36.74398 318.08862
6330.0000 -36.97054 -35.98857 0.98197 1.68841 -36.47929 399.11256
6335.0000 -37.24748 -36.38091 0.86657 1.74915 -36.09359 455.14187
6340.0000 -37.60053 -36.94940 0.65114 1.67820 -36.54409 353.61568
6345.0000 -37.15697 -36.41434 0.74263 1.63606 -36.81169 314.40964
6350.0000 -37.44705 -36.85796 0.58910 1.69469 -36.43936 401.64644
6355.0000 -37.36023 -36.65139 0.70884 1.66367 -36.63634 365.31112
6360.0000 -37.32066 -36.31513 1.00553 1.68494 -36.50129 368.17578
6365.0000 -36.59457 -35.90350 0.69107 1.77845 -35.90755 475.57053
6370.0000 -37.12143 -35.93629 1.18514 1.77177 -35.94997 502.18055
6375.0000 -37.32916 -36.20233 1.12683 1.74754 -36.10381 487.07707
6380.0000 -36.67166 -35.85398 0.81768 1.76130 -36.01642 491.63434
6385.0000 -37.19356 -36.28041 0.91315 1.75847 -36.03440 496.31286
6390.0000 -37.07826 -36.18320 0.89507 1.71147 -36.33282 416.46955
6395.0000 -36.89997 -36.05020 0.84977 1.73622 -36.17567 451.06216
6400.0000 -37.09173 -36.34637 0.74536 1.71158 -36.33213 428.61282
6405.0000 -37.21471 -36.16190 1.05281 1.70250 -36.38979 407.69391
6410.0000 -37.02025 -36.11791 0.90234 1.74918 -36.09338 473.35547
6415.0000 -37.61957 -36.79091 0.82865 1.69973 -36.40741 388.95933
6420.0000 -37.49923 -36.45727 1.04196 1.65671 -36.68052 343.84768
6425.0000 -37.33185 -36.18480 1.14705 1.71373 -36.31847 428.70384
6430.0000 -37.16588 -36.29382 0.87205 1.72374 -36.25496 436.63415
6435.0000 -37.43078 -36.53366 0.89713 1.71463 -36.31278 417.53502
6440.0000 -36.88473 -36.28429 0.60044 1.75353 -36.06578 472.37703
6445.0000 -37.06603 -36.24578 0.82024 1.71223 -36.32802 441.42506
6450.0000 -37.15777 -36.04368 1.11409 1.72752 -36.23095 426.89705
6455.0000 -36.96795 -35.95333 1.01462 1.78035 -35.89546 532.78011
6460.0000 -37.10411 -36.28528 0.81882 1.73478 -36.18481 464.36473
6465.0000 -37.30890 -36.69723 0.61167 1.69326 -36.44850 397.34507
6470.0000 -37.19369 -36.36676 0.82693 1.67433 -36.56867 368.17842
6475.0000 -37.22552 -36.01137 1.21415 1.73536 -36.18112 460.39646
6480.0000 -37.38598 -36.76053 0.62546 1.67732 -36.54966 369.34769
6485.0000 -37.19422 -36.57860 0.61562 1.67535 -36.56221 376.47113
6490.0000 -37.02946 -35.88392 1.14554 1.75782 -36.03853 471.54660
6495.0000 -37.46377 -36.36592 1.09785 1.75590 -36.05070 484.61076
6500.0000 -37.40099 -36.44611 0.95487 1.70446 -36.37736 419.46412
FREEZING PROCESS: loop number 27 T-loop= 422.00000000000000
main_MD> interactions number 27 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38574 1.04429 0.16206
force_rgl> df(natom) 1.56910 -3.33715 0.57621
6505.0000 -36.96186 -36.14537 0.81649 1.71076 -36.33735 412.48421
6510.0000 -37.15166 -36.14235 1.00930 1.74955 -36.09106 502.36899
6515.0000 -37.33081 -36.23596 1.09485 1.77888 -35.90480 530.06494
6520.0000 -36.94999 -36.19671 0.75328 1.71543 -36.30771 434.62598
6525.0000 -37.33545 -36.50637 0.82909 1.68750 -36.48504 393.18442
6530.0000 -37.36094 -36.50645 0.85448 1.65176 -36.71195 340.86551
6535.0000 -37.27687 -36.53083 0.74605 1.71387 -36.31760 431.99394
6540.0000 -36.78878 -35.77842 1.01035 1.75114 -36.08093 494.36511
6545.0000 -37.27713 -36.32593 0.95120 1.79729 -35.78793 560.43015
6550.0000 -37.25306 -36.46533 0.78773 1.68441 -36.50465 400.87764
6555.0000 -37.21936 -36.03809 1.18127 1.72874 -36.22316 439.14027
6560.0000 -37.14902 -36.13444 1.01458 1.73591 -36.17765 468.96905
6565.0000 -37.17867 -36.57304 0.60562 1.71601 -36.30400 436.41791
6570.0000 -37.28161 -36.33786 0.94374 1.70363 -36.38265 413.24964
6575.0000 -37.31942 -36.49026 0.82915 1.70740 -36.35866 429.45591
6580.0000 -37.27083 -36.40455 0.86628 1.73721 -36.16938 484.73939
6585.0000 -37.38502 -36.23725 1.14777 1.69334 -36.44796 397.29666
6590.0000 -37.39755 -36.47719 0.92035 1.71076 -36.33736 430.36690
6595.0000 -37.15118 -36.44536 0.70582 1.67652 -36.55474 354.33815
6600.0000 -37.48564 -36.73995 0.74569 1.68407 -36.50682 380.57396
6605.0000 -37.55809 -36.84957 0.70852 1.65410 -36.69713 342.93553
6610.0000 -37.35573 -36.47667 0.87906 1.62955 -36.85302 286.35405
6615.0000 -37.40769 -36.73048 0.67721 1.67433 -36.56868 363.65991
6620.0000 -37.20793 -36.47063 0.73730 1.65905 -36.66570 337.11035
6625.0000 -37.18055 -36.28601 0.89454 1.72388 -36.25407 444.24131
6630.0000 -37.08802 -36.13540 0.95262 1.72896 -36.22178 449.17092
6635.0000 -37.01700 -36.24727 0.76972 1.73160 -36.20501 444.91253
6640.0000 -36.94064 -36.22957 0.71107 1.73374 -36.19143 453.48556
6645.0000 -37.06356 -36.32681 0.73675 1.68623 -36.49310 383.66880
6650.0000 -37.53723 -36.51685 1.02038 1.69412 -36.44304 395.39954
6655.0000 -37.38608 -36.44014 0.94594 1.68210 -36.51932 376.63295
6660.0000 -37.26384 -36.48060 0.78325 1.69475 -36.43903 385.20159
6665.0000 -37.43995 -36.53228 0.90767 1.69970 -36.40760 408.43618
6670.0000 -37.39317 -36.66567 0.72750 1.66708 -36.61470 347.00109
6675.0000 -37.29456 -36.50215 0.79241 1.67557 -36.56077 347.57954
6680.0000 -37.41928 -36.61671 0.80258 1.66408 -36.63377 347.60341
6685.0000 -36.94247 -35.90435 1.03811 1.71549 -36.30732 436.77891
6690.0000 -37.17603 -36.34368 0.83236 1.71265 -36.32538 448.21256
6695.0000 -37.41520 -36.28726 1.12794 1.74037 -36.14936 462.02637
6700.0000 -37.11000 -36.16804 0.94196 1.74580 -36.11489 467.35259
6705.0000 -37.08338 -36.24064 0.84275 1.71230 -36.32755 425.15329
6710.0000 -37.21882 -36.43792 0.78089 1.70600 -36.36758 414.38266
6715.0000 -37.18489 -36.13972 1.04516 1.70383 -36.38135 417.12789
6720.0000 -37.26661 -36.16496 1.10164 1.75592 -36.05060 467.09179
6725.0000 -37.03487 -36.13109 0.90379 1.74709 -36.10668 459.99681
6730.0000 -37.24051 -36.04192 1.19859 1.74117 -36.14425 451.72849
6735.0000 -37.05277 -36.22316 0.82961 1.70802 -36.35473 415.40435
6740.0000 -37.33837 -36.47806 0.86031 1.71760 -36.29393 432.65287
6745.0000 -37.37722 -36.51389 0.86333 1.67238 -36.58106 379.29913
6750.0000 -37.41101 -36.62638 0.78463 1.69536 -36.43514 405.05077
FREEZING PROCESS: loop number 28 T-loop= 397.00000000000000
main_MD> interactions number 28 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26573 0.95654 0.83350
force_rgl> df(natom) 1.07611 -0.80339 -1.98881
6755.0000 -37.08243 -36.12483 0.95760 1.72415 -36.25230 427.43974
6760.0000 -37.19947 -36.42653 0.77294 1.72368 -36.25534 427.66728
6765.0000 -37.38692 -35.83218 1.55474 1.72790 -36.22854 440.40564
6770.0000 -36.82737 -35.72448 1.10289 1.79784 -35.78443 531.62226
6775.0000 -37.15707 -36.54413 0.61293 1.70484 -36.37496 397.31146
6780.0000 -37.40159 -36.76486 0.63673 1.67244 -36.58066 371.36776
6785.0000 -37.30914 -36.49775 0.81138 1.64985 -36.72412 355.84279
6790.0000 -37.11324 -35.96501 1.14823 1.75953 -36.02769 505.29400
6795.0000 -36.95777 -36.09323 0.86454 1.73721 -36.16942 452.13899
6800.0000 -37.28040 -36.54167 0.73873 1.70900 -36.34853 418.30257
6805.0000 -37.42646 -36.34477 1.08168 1.69137 -36.46049 398.50009
6810.0000 -36.89357 -35.89057 1.00301 1.77176 -35.95004 511.88567
6815.0000 -36.90341 -36.14305 0.76036 1.72960 -36.21770 452.51944
6820.0000 -36.95923 -36.20460 0.75463 1.73929 -36.15621 473.19867
6825.0000 -37.10734 -36.54351 0.56383 1.72172 -36.26773 433.13213
6830.0000 -37.24426 -36.41327 0.83099 1.69680 -36.42596 414.29216
6835.0000 -37.51781 -36.35596 1.16185 1.71482 -36.31155 437.22714
6840.0000 -37.39331 -36.59882 0.79449 1.70351 -36.38336 412.66418
6845.0000 -37.28298 -36.56620 0.71678 1.66986 -36.59703 344.25215
6850.0000 -37.42458 -36.51186 0.91272 1.68910 -36.47490 382.33854
6855.0000 -37.24640 -36.53453 0.71187 1.69430 -36.44188 390.87425
6860.0000 -37.44718 -36.47191 0.97528 1.69267 -36.45225 389.17457
6865.0000 -36.96965 -35.97740 0.99225 1.73732 -36.16870 455.66902
6870.0000 -37.41362 -36.31983 1.09379 1.75328 -36.06736 473.29117
6875.0000 -37.29901 -36.41192 0.88709 1.70634 -36.36540 419.98220
6880.0000 -36.83882 -36.23896 0.59986 1.74344 -36.12985 449.11901
6885.0000 -37.07556 -35.96317 1.11239 1.75477 -36.05790 472.59694
6890.0000 -37.44413 -36.34994 1.09420 1.72527 -36.24523 443.11659
6895.0000 -37.43760 -36.89583 0.54178 1.69354 -36.44668 416.18053
6900.0000 -37.27803 -36.54839 0.72964 1.65373 -36.69948 340.98093
6905.0000 -37.33791 -36.25871 1.07920 1.67390 -36.57139 360.41160
6910.0000 -37.47234 -36.55527 0.91707 1.69083 -36.46392 400.47683
6915.0000 -37.28591 -36.59517 0.69074 1.69019 -36.46794 396.04086
6920.0000 -37.29120 -36.53925 0.75195 1.67947 -36.53605 383.28412
6925.0000 -37.21659 -36.36987 0.84673 1.68929 -36.47367 395.01544
6930.0000 -37.13341 -36.31445 0.81896 1.73206 -36.20210 448.59215
6935.0000 -37.18567 -36.35602 0.82965 1.71768 -36.29342 437.03505
6940.0000 -37.45750 -36.82857 0.62893 1.65460 -36.69397 344.13975
6945.0000 -36.99314 -36.21575 0.77739 1.69484 -36.43841 387.55862
6950.0000 -37.11869 -36.42388 0.69481 1.72093 -36.27281 435.98554
6955.0000 -37.34235 -36.64730 0.69505 1.66167 -36.64907 347.08967
6960.0000 -37.25851 -36.38383 0.87469 1.70070 -36.40126 409.09115
6965.0000 -37.48242 -36.67825 0.80417 1.66920 -36.60127 359.34675
6970.0000 -37.04632 -36.34421 0.70212 1.70893 -36.34894 416.71872
6975.0000 -37.21494 -36.52184 0.69309 1.66931 -36.60053 358.40462
6980.0000 -37.34606 -36.58648 0.75957 1.69561 -36.43356 413.69747
6985.0000 -37.08386 -36.35711 0.72675 1.69028 -36.46739 366.44965
6990.0000 -37.16882 -36.43758 0.73124 1.70084 -36.40035 407.31199
6995.0000 -37.30481 -36.65163 0.65318 1.67261 -36.57960 377.08259
7000.0000 -37.27015 -36.70173 0.56843 1.65935 -36.66381 320.86475
FREEZING PROCESS: loop number 29 T-loop= 372.00000000000000
main_MD> interactions number 29 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.67323 -1.50823 -2.17660
force_rgl> df(natom) -0.07514 1.40142 0.22397
7005.0000 -37.21737 -36.44334 0.77402 1.67166 -36.58563 346.53391
7010.0000 -37.21209 -36.46778 0.74431 1.68103 -36.52613 371.68100
7015.0000 -37.33275 -36.36537 0.96737 1.67941 -36.53639 385.93039
7020.0000 -37.21776 -36.66639 0.55137 1.66634 -36.61940 367.23504
7025.0000 -37.23812 -36.62672 0.61139 1.65006 -36.72279 322.49560
7030.0000 -37.38487 -36.83234 0.55253 1.64583 -36.74963 314.78021
7035.0000 -37.33556 -36.52451 0.81104 1.65394 -36.69812 334.53521
7040.0000 -37.23511 -36.46353 0.77158 1.66536 -36.62562 350.29352
7045.0000 -37.32500 -36.68832 0.63668 1.63623 -36.81056 313.25095
7050.0000 -37.28024 -36.71510 0.56514 1.64063 -36.78262 324.14891
7055.0000 -37.31730 -36.44721 0.87009 1.68700 -36.48823 381.89072
7060.0000 -37.25243 -36.53818 0.71424 1.68506 -36.50051 389.60970
7065.0000 -37.34920 -36.55927 0.78993 1.70097 -36.39951 423.41213
7070.0000 -37.42157 -36.76933 0.65224 1.65206 -36.71010 329.40599
7075.0000 -37.14053 -36.48271 0.65782 1.67006 -36.59581 358.93961
7080.0000 -37.22162 -36.37836 0.84326 1.70613 -36.36677 412.32181
7085.0000 -37.14531 -36.09539 1.04992 1.73813 -36.16359 439.05569
7090.0000 -37.24124 -36.43857 0.80267 1.71284 -36.32414 425.66582
7095.0000 -37.34950 -36.55374 0.79576 1.69837 -36.41602 421.12922
7100.0000 -37.44799 -36.40548 1.04252 1.68109 -36.52576 382.80714
7105.0000 -37.42273 -36.58539 0.83734 1.67736 -36.54944 377.13349
7110.0000 -37.36016 -36.26640 1.09376 1.68784 -36.48286 400.45287
7115.0000 -37.20508 -36.13898 1.06610 1.71839 -36.28888 427.37306
7120.0000 -37.11817 -35.93071 1.18745 1.72644 -36.23781 463.75974
7125.0000 -37.25876 -36.11836 1.14040 1.74524 -36.11841 458.54345
7130.0000 -37.22242 -36.53143 0.69099 1.73022 -36.21377 459.25626
7135.0000 -37.32825 -36.39007 0.93818 1.67377 -36.57224 368.80409
7140.0000 -37.71759 -36.96807 0.74951 1.63481 -36.81959 335.19949
7145.0000 -37.38968 -36.68475 0.70494 1.64528 -36.75314 338.11739
7150.0000 -37.31773 -36.33764 0.98009 1.66599 -36.62162 355.66279
7155.0000 -37.13010 -36.14763 0.98247 1.70272 -36.38837 412.60245
7160.0000 -37.40808 -36.53658 0.87149 1.71175 -36.33104 413.37558
7165.0000 -37.42307 -36.37698 1.04609 1.68200 -36.51996 359.48083
7170.0000 -37.19899 -36.23852 0.96046 1.72668 -36.23626 461.07459
7175.0000 -37.22370 -36.39925 0.82445 1.70610 -36.36696 436.61931
7180.0000 -37.43107 -36.22851 1.20256 1.71131 -36.33384 426.59117
7185.0000 -37.14793 -36.12837 1.01956 1.68630 -36.49264 390.19974
7190.0000 -37.01627 -36.50001 0.51626 1.72975 -36.21680 445.64783
7195.0000 -37.02523 -35.88981 1.13542 1.75030 -36.08627 467.78130
7200.0000 -37.16546 -36.19980 0.96566 1.78569 -35.86156 522.80381
7205.0000 -36.91064 -36.05215 0.85849 1.75041 -36.08557 469.82485
7210.0000 -37.25623 -36.32524 0.93099 1.72179 -36.26729 432.83209
7215.0000 -37.36913 -36.62819 0.74093 1.72484 -36.24798 449.52889
7220.0000 -36.97363 -36.35882 0.61481 1.72393 -36.25371 450.18171
7225.0000 -37.33254 -36.40717 0.92537 1.70498 -36.37402 412.76511
7230.0000 -37.40158 -36.45002 0.95156 1.68562 -36.49697 374.70985
7235.0000 -37.30447 -36.60082 0.70365 1.67857 -36.54175 370.34194
7240.0000 -37.39900 -36.64675 0.75225 1.64940 -36.72697 322.56947
7245.0000 -37.37155 -36.20417 1.16738 1.68834 -36.47970 374.96172
7250.0000 -37.47715 -36.57539 0.90176 1.68651 -36.49135 386.99263
FREEZING PROCESS: loop number 30 T-loop= 347.00000000000000
main_MD> interactions number 30 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81101 -0.39099 -0.83287
force_rgl> df(natom) 2.13295 -1.28963 -0.19875
7255.0000 -37.29313 -36.67302 0.62011 1.66498 -36.62804 352.24997
7260.0000 -37.36553 -36.58895 0.77657 1.64431 -36.75928 310.05352
7265.0000 -37.73610 -36.80823 0.92787 1.65462 -36.69385 338.29614
7270.0000 -37.70159 -36.69967 1.00192 1.62584 -36.87658 299.04751
7275.0000 -37.59195 -36.80511 0.78684 1.66842 -36.60616 375.63456
7280.0000 -37.49411 -37.03507 0.45904 1.61375 -36.95330 276.80826
7285.0000 -37.29638 -36.55490 0.74148 1.62848 -36.85982 295.25239
7290.0000 -37.34311 -36.78124 0.56187 1.66306 -36.64021 352.53341
7295.0000 -37.16136 -36.45634 0.70502 1.67420 -36.56947 389.37743
7300.0000 -37.51262 -36.52763 0.98499 1.64772 -36.73762 313.11363
7305.0000 -37.21199 -36.29167 0.92032 1.70066 -36.40147 410.33371
7310.0000 -37.43377 -36.58309 0.85068 1.67770 -36.54728 377.69148
7315.0000 -37.45666 -36.65943 0.79723 1.65201 -36.71037 344.91434
7320.0000 -37.34423 -36.83563 0.50860 1.65895 -36.66635 356.58415
7325.0000 -37.37644 -36.53518 0.84126 1.64803 -36.73564 334.20139
7330.0000 -37.45489 -36.67032 0.78458 1.64878 -36.73091 346.12114
7335.0000 -37.49112 -36.94311 0.54802 1.65149 -36.71369 335.20998
7340.0000 -37.25259 -36.71189 0.54070 1.62546 -36.87896 299.25027
7345.0000 -37.37254 -36.66748 0.70507 1.64650 -36.74538 329.53561
7350.0000 -37.47168 -36.86843 0.60325 1.64446 -36.75836 320.43406
7355.0000 -37.37060 -36.72799 0.64261 1.62055 -36.91018 286.48129
7360.0000 -37.20867 -36.37305 0.83562 1.67089 -36.59050 368.19276
7365.0000 -37.11675 -36.18834 0.92841 1.74576 -36.11510 469.39802
7370.0000 -37.67041 -36.50677 1.16364 1.71415 -36.31582 430.33752
7375.0000 -37.29229 -36.49314 0.79915 1.66474 -36.62957 350.68969
7380.0000 -37.40156 -36.48934 0.91222 1.67139 -36.58736 380.62275
7385.0000 -37.39165 -36.88088 0.51077 1.65778 -36.67373 347.64562
7390.0000 -37.39366 -36.65916 0.73450 1.64511 -36.75421 322.79439
7395.0000 -37.40826 -36.68198 0.72628 1.65431 -36.69580 341.72403
7400.0000 -37.33442 -36.77258 0.56184 1.66322 -36.63921 353.26259
7405.0000 -37.58409 -36.84345 0.74063 1.62725 -36.86761 310.52593
7410.0000 -37.55719 -36.88196 0.67522 1.62488 -36.88262 283.21891
7415.0000 -37.14862 -36.63252 0.51610 1.62441 -36.88566 298.90120
7420.0000 -37.41951 -36.96082 0.45869 1.65655 -36.68159 348.18336
7425.0000 -37.51218 -36.61754 0.89463 1.61840 -36.92381 287.16409
7430.0000 -37.70245 -37.14670 0.55575 1.60900 -36.98350 271.56110
7435.0000 -37.62533 -36.95289 0.67244 1.61726 -36.93101 288.55280
7440.0000 -37.43506 -36.99955 0.43551 1.62299 -36.89465 290.49196
7445.0000 -37.51683 -36.91490 0.60193 1.64182 -36.77510 322.76190
7450.0000 -37.36132 -36.65968 0.70164 1.63716 -36.80469 319.66460
7455.0000 -37.47761 -36.70597 0.77164 1.65245 -36.70758 342.57247
7460.0000 -37.37425 -36.54101 0.83325 1.65972 -36.66141 342.72220
7465.0000 -37.50367 -36.99306 0.51061 1.64984 -36.72416 319.84469
7470.0000 -37.50022 -37.00531 0.49491 1.61014 -36.97623 277.77823
7475.0000 -37.30607 -36.80314 0.50293 1.60916 -36.98248 270.71627
7480.0000 -37.23011 -36.56009 0.67002 1.64561 -36.75106 335.93904
7485.0000 -37.21260 -36.21502 0.99759 1.68582 -36.49569 388.77591
7490.0000 -37.67151 -36.89925 0.77225 1.64438 -36.75882 341.71606
7495.0000 -37.34374 -36.58917 0.75458 1.64550 -36.75173 310.23360
7500.0000 -37.27933 -36.79713 0.48220 1.65468 -36.69346 325.24987
FREEZING PROCESS: loop number 31 T-loop= 322.00000000000000
main_MD> interactions number 31 at Temperature= 322.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.96200 -1.37224 1.09949
force_rgl> df(natom) -0.10138 -0.14823 0.65076
7505.0000 -37.39133 -36.63126 0.76008 1.64645 -36.74571 319.16519
7510.0000 -37.34638 -36.65063 0.69575 1.67558 -36.56070 369.26169
7515.0000 -37.29554 -36.63228 0.66326 1.67229 -36.58159 357.76897
7520.0000 -37.14601 -36.18739 0.95861 1.67505 -36.56408 354.10640
7525.0000 -37.67639 -36.98451 0.69188 1.69491 -36.43802 417.22688
7530.0000 -37.26331 -36.75361 0.50970 1.63101 -36.84371 288.66906
7535.0000 -37.43233 -36.83554 0.59679 1.64059 -36.78292 311.90172
7540.0000 -37.41103 -36.92103 0.49000 1.61114 -36.96993 288.83309
7545.0000 -37.26997 -36.43219 0.83778 1.65200 -36.71043 337.33093
7550.0000 -37.24436 -36.62672 0.61764 1.65799 -36.67245 345.23638
7555.0000 -37.24881 -36.52450 0.72431 1.64734 -36.74001 329.26712
7560.0000 -37.42718 -36.66515 0.76202 1.66287 -36.64145 351.60270
7565.0000 -37.43600 -36.85271 0.58329 1.63445 -36.82187 320.18166
7570.0000 -37.69066 -37.02197 0.66869 1.61426 -36.95009 275.40364
7575.0000 -37.31192 -36.88985 0.42206 1.62887 -36.85732 298.72834
7580.0000 -37.41171 -36.80472 0.60699 1.62621 -36.87421 293.07242
7585.0000 -37.40733 -36.67113 0.73619 1.64425 -36.75967 326.19670
7590.0000 -37.28756 -36.73351 0.55405 1.67097 -36.59002 360.27956
7595.0000 -37.61601 -37.15518 0.46084 1.61229 -36.96262 264.70608
7600.0000 -37.44952 -36.71902 0.73050 1.62377 -36.88968 295.31186
7605.0000 -37.39404 -36.93203 0.46202 1.63516 -36.81737 299.15565
7610.0000 -37.54849 -37.05044 0.49804 1.61692 -36.93318 289.42277
7615.0000 -37.47040 -36.66467 0.80574 1.61933 -36.91787 291.40819
7620.0000 -37.38608 -36.67090 0.71518 1.66631 -36.61961 350.15714
7625.0000 -37.38434 -36.83241 0.55193 1.63205 -36.83710 305.80196
7630.0000 -37.31494 -36.55070 0.76423 1.63586 -36.81291 319.24950
7635.0000 -37.44208 -36.72850 0.71358 1.63442 -36.82205 310.99436
7640.0000 -37.58448 -36.85742 0.72706 1.63443 -36.82200 318.33828
7645.0000 -37.23031 -36.63894 0.59136 1.63743 -36.80295 314.64721
7650.0000 -37.57997 -37.04957 0.53041 1.62789 -36.86353 293.21998
7655.0000 -37.61364 -37.00774 0.60590 1.62302 -36.89446 285.33565
7660.0000 -37.62335 -37.27530 0.34805 1.60179 -37.02927 259.17853
7665.0000 -37.48565 -36.93989 0.54576 1.60329 -37.01974 262.73844
7670.0000 -37.32888 -36.68039 0.64849 1.64355 -36.76413 345.56345
7675.0000 -37.65011 -37.14133 0.50879 1.64345 -36.76477 323.50266
7680.0000 -37.55465 -36.95297 0.60168 1.62197 -36.90113 289.44610
7685.0000 -37.36856 -36.71140 0.65716 1.63324 -36.82959 308.73219
7690.0000 -37.71637 -36.91382 0.80255 1.64592 -36.74903 324.56725
7695.0000 -37.61407 -37.17190 0.44216 1.60320 -37.02030 260.87105
7700.0000 -37.56117 -37.12264 0.43853 1.58840 -37.11429 245.59129
7705.0000 -37.35563 -36.61654 0.73909 1.62175 -36.90254 288.59094
7710.0000 -37.57407 -36.80532 0.76876 1.65292 -36.70463 328.99593
7715.0000 -37.46612 -36.66454 0.80158 1.64146 -36.77740 330.73261
7720.0000 -37.50382 -36.96438 0.53944 1.62635 -36.87334 296.15273
7725.0000 -37.45148 -36.80317 0.64832 1.64133 -36.77822 334.24991
7730.0000 -37.56115 -36.49470 1.06645 1.64310 -36.76697 327.11709
7735.0000 -37.31940 -36.56704 0.75236 1.68178 -36.52138 394.31036
7740.0000 -37.41176 -36.95020 0.46156 1.63031 -36.84818 309.79286
7745.0000 -37.46266 -36.94802 0.51464 1.60945 -36.98060 275.40291
7750.0000 -37.52772 -36.90267 0.62505 1.61602 -36.93890 296.84537
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 37.1561604 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink