tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_19/freeze.log

1704 lines
168 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_19.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 = 19 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1500
main_MD> Size of nv and nvoiz: 19 1900
main_MD> Size of nv and nvoiz: 19 1900
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 = 19
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> -9.3478104217376096E-002 -2.9869504083499226E-002 4.7869940809525169E-002 initial drift of cluster / NP1 for coalescence
init> 0.39271129971765256 0.37013159098097898 0.27236254680987981 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5021393872987981E-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) -3.29217 -2.25399 0.72615
force_rgl> df(natom) -3.73842 -0.63409 4.21429
preparo> THERMALIZATION PROCESS AT 1056.5031175721301
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -41.150031625641404 2.2710134002580604 -43.421045025899467 4.8686517487231276E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 30
FREEZING PROCESS: loop number 1 T-loop= 1039.0000000000000
main_MD> interactions number 1 at Temperature= 1039.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68656 -1.60821 -1.56209
force_rgl> df(natom) -0.95177 -2.90455 -0.28655
5.0000 -41.90662 -39.25120 2.65541 2.25885 -39.96617 1046.70656
10.0000 -42.32317 -40.86474 1.45843 2.25220 -40.01350 953.40302
15.0000 -41.93930 -39.94829 1.99101 2.27853 -39.82602 988.40006
20.0000 -42.35435 -39.10012 3.25423 2.31004 -39.60165 1053.41570
25.0000 -41.70403 -39.52854 2.17549 2.33292 -39.43873 1088.37651
30.0000 -41.76756 -39.58479 2.18277 2.38293 -39.08269 1149.91466
35.0000 -42.14589 -38.85707 3.28881 2.33111 -39.45165 1009.74665
40.0000 -41.06786 -38.37801 2.68985 2.41784 -38.83410 1110.66478
45.0000 -43.18578 -40.06073 3.12504 2.36959 -39.17764 1107.11513
50.0000 -42.65075 -40.62466 2.02609 2.20846 -40.32493 934.48880
55.0000 -43.38836 -39.89532 3.49304 2.16951 -40.60229 907.16874
60.0000 -42.60889 -40.19809 2.41080 2.19312 -40.43420 948.45819
65.0000 -43.26292 -40.56740 2.69552 2.17634 -40.55365 890.13541
70.0000 -41.48236 -39.15737 2.32498 2.27689 -39.83771 950.03542
75.0000 -41.68876 -38.94787 2.74089 2.31884 -39.53901 1060.77875
80.0000 -40.99713 -37.91134 3.08579 2.41606 -38.84677 1181.33259
85.0000 -40.40368 -37.38360 3.02007 2.50509 -38.21282 1165.78460
90.0000 -41.50209 -38.48792 3.01416 2.61717 -37.41475 1257.98339
95.0000 -41.93244 -38.77559 3.15685 2.46561 -38.49396 1254.64215
100.0000 -41.67696 -39.62606 2.05090 2.33839 -39.39981 1007.91077
105.0000 -42.53135 -40.39809 2.13326 2.20235 -40.36847 944.80684
110.0000 -42.64178 -40.25590 2.38588 2.09876 -41.10608 828.13182
115.0000 -42.20542 -40.17961 2.02581 2.24808 -40.04286 1011.88006
120.0000 -42.82790 -39.94924 2.87865 2.24424 -40.07021 922.13467
125.0000 -41.92012 -39.22263 2.69749 2.29464 -39.71134 1053.00873
130.0000 -41.45159 -38.08108 3.37051 2.47430 -38.43204 1224.39190
135.0000 -41.82641 -38.50007 3.32634 2.47590 -38.42069 1213.27857
140.0000 -43.11272 -39.68029 3.43244 2.35985 -39.24704 1126.01158
145.0000 -42.54442 -39.93287 2.61154 2.33060 -39.45529 1100.15031
150.0000 -42.38041 -39.90582 2.47460 2.29814 -39.68641 1067.47046
155.0000 -43.25016 -41.38593 1.86424 2.15167 -40.72934 862.89496
160.0000 -43.21411 -40.49511 2.71901 2.13581 -40.84228 889.00333
165.0000 -42.11260 -39.85996 2.25264 2.19141 -40.44633 943.19343
170.0000 -41.46480 -39.43661 2.02819 2.33702 -39.40957 1053.81492
175.0000 -41.94450 -39.08390 2.86060 2.32140 -39.52076 1075.69241
180.0000 -42.56720 -39.38843 3.17877 2.37556 -39.13515 1110.15402
185.0000 -41.94683 -39.27479 2.67204 2.40520 -38.92407 1156.99437
190.0000 -41.57901 -39.12944 2.44957 2.34604 -39.34536 1094.17926
195.0000 -41.86859 -38.66607 3.20251 2.49307 -38.29841 1231.22698
200.0000 -40.75062 -36.88955 3.86107 2.58435 -37.64851 1343.35314
205.0000 -40.84498 -38.00394 2.84103 2.58229 -37.66315 1322.65299
210.0000 -42.54713 -40.44650 2.10063 2.33992 -39.38893 995.67043
215.0000 -41.73925 -39.56921 2.17004 2.33385 -39.43216 990.41382
220.0000 -41.15782 -38.75848 2.39934 2.48370 -38.36517 1193.58167
225.0000 -41.15965 -38.65259 2.50706 2.49177 -38.30767 1223.84668
230.0000 -42.10484 -39.43161 2.67323 2.47014 -38.46167 1212.79215
235.0000 -42.19307 -39.26295 2.93012 2.39631 -38.98739 1151.37343
240.0000 -42.38473 -39.71390 2.67083 2.32824 -39.47209 1068.03009
245.0000 -42.51204 -40.34140 2.17064 2.23247 -40.15399 990.45666
250.0000 -43.82812 -41.99415 1.83397 2.11330 -41.00251 865.83581
FREEZING PROCESS: loop number 2 T-loop= 1014.0000000000000
main_MD> interactions number 2 at Temperature= 1014.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96687 -0.45609 -1.64430
force_rgl> df(natom) -0.71037 -1.60372 -0.31164
255.0000 -42.02546 -39.76362 2.26184 2.11441 -40.99460 856.68301
260.0000 -41.39365 -39.37292 2.02072 2.29636 -39.69908 1011.02186
265.0000 -41.85631 -39.14987 2.70643 2.34533 -39.35037 1045.74772
270.0000 -42.52717 -40.23541 2.29176 2.29085 -39.73831 1058.07465
275.0000 -42.55758 -39.78148 2.77609 2.22389 -40.21511 946.75303
280.0000 -41.75509 -39.67556 2.07953 2.28221 -39.79981 978.14503
285.0000 -42.07148 -39.66049 2.41099 2.31716 -39.55097 1032.81167
290.0000 -42.41532 -40.03466 2.38066 2.23327 -40.14831 974.12482
295.0000 -42.93085 -39.82739 3.10346 2.26928 -39.89187 1025.75143
300.0000 -41.71107 -39.34109 2.36997 2.30072 -39.66804 1038.95309
305.0000 -41.46596 -39.33766 2.12830 2.32857 -39.46972 1089.69156
310.0000 -40.83110 -38.97303 1.85808 2.39747 -38.97916 1215.41312
315.0000 -42.18696 -39.64059 2.54637 2.36710 -39.19537 1034.11934
320.0000 -41.85861 -38.58191 3.27670 2.36577 -39.20485 1087.93759
325.0000 -42.05343 -39.46509 2.58834 2.35589 -39.27518 1111.16349
330.0000 -42.69411 -40.08053 2.61358 2.36292 -39.22517 1041.36740
335.0000 -41.94264 -38.48884 3.45380 2.39984 -38.96224 1118.42202
340.0000 -41.41800 -39.35334 2.06466 2.44749 -38.62296 1203.00511
345.0000 -41.92286 -39.42181 2.50106 2.34271 -39.36901 1002.13833
350.0000 -42.35709 -39.25335 3.10374 2.32777 -39.47542 1120.89073
355.0000 -43.17348 -40.23291 2.94057 2.28548 -39.77656 1063.28902
360.0000 -42.43980 -39.47501 2.96479 2.32846 -39.47051 1099.07579
365.0000 -42.47227 -39.92618 2.54609 2.23964 -40.10291 998.96482
370.0000 -42.08272 -39.98970 2.09302 2.30922 -39.60751 977.47167
375.0000 -41.42925 -38.82153 2.60772 2.36777 -39.19061 1057.61888
380.0000 -40.25906 -38.19010 2.06896 2.37011 -39.17394 1089.91785
385.0000 -41.72315 -39.67800 2.04515 2.45357 -38.57970 1109.42426
390.0000 -42.43214 -39.85539 2.57675 2.28403 -39.78684 1012.25723
395.0000 -43.18552 -40.71516 2.47035 2.13366 -40.85756 883.58939
400.0000 -42.02279 -39.70914 2.31365 2.20042 -40.38220 929.81288
405.0000 -42.73254 -39.69230 3.04024 2.32815 -39.47275 1045.30672
410.0000 -41.81569 -39.61825 2.19744 2.32490 -39.49586 1075.72961
415.0000 -42.41119 -39.40727 3.00392 2.36617 -39.20200 1090.27412
420.0000 -42.24107 -39.12776 3.11331 2.40888 -38.89788 1130.86833
425.0000 -42.24897 -39.32201 2.92696 2.28673 -39.76761 1023.25760
430.0000 -41.89843 -40.07866 1.81977 2.34937 -39.32163 1044.30567
435.0000 -43.31480 -40.78497 2.52983 2.24685 -40.05163 1015.10139
440.0000 -42.42900 -39.87403 2.55497 2.14756 -40.75860 887.70892
445.0000 -43.24821 -40.29665 2.95156 2.21843 -40.25393 972.15862
450.0000 -42.32705 -39.81000 2.51705 2.23425 -40.14134 1003.25968
455.0000 -42.02314 -39.60624 2.41691 2.31861 -39.54066 1087.42031
460.0000 -42.86244 -39.73566 3.12678 2.31451 -39.56986 1018.40538
465.0000 -43.37070 -40.26281 3.10789 2.25242 -40.01194 965.74405
470.0000 -42.27215 -38.96186 3.31029 2.34470 -39.35488 1074.96639
475.0000 -42.34541 -39.62292 2.72250 2.33534 -39.42151 1009.85535
480.0000 -43.11504 -40.91963 2.19541 2.22185 -40.22959 955.48763
485.0000 -42.51330 -40.59460 1.91870 2.17132 -40.58937 909.05414
490.0000 -41.27662 -38.64415 2.63247 2.30727 -39.62140 1053.57138
495.0000 -43.10345 -40.16343 2.94002 2.33176 -39.44699 1068.79236
500.0000 -42.32076 -39.19252 3.12824 2.30404 -39.64439 996.07533
FREEZING PROCESS: loop number 3 T-loop= 989.00000000000000
main_MD> interactions number 3 at Temperature= 989.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.44422 0.99740 0.78555
force_rgl> df(natom) -3.24836 -4.41512 4.13732
505.0000 -43.15733 -40.49684 2.66049 2.24983 -40.03038 935.79342
510.0000 -42.09896 -40.31734 1.78163 2.19758 -40.40243 920.70438
515.0000 -41.88759 -40.06522 1.82237 2.28726 -39.76384 965.57938
520.0000 -41.36621 -39.37448 1.99174 2.32341 -39.50643 974.20761
525.0000 -40.57141 -38.90640 1.66502 2.40725 -38.90948 1088.00424
530.0000 -42.87482 -39.94860 2.92622 2.28315 -39.79310 1014.59798
535.0000 -43.38660 -41.16383 2.22277 2.17335 -40.57495 854.87505
540.0000 -42.28906 -40.20769 2.08137 2.13325 -40.86046 849.44679
545.0000 -42.43838 -40.37403 2.06434 2.25191 -40.01559 966.28029
550.0000 -42.48810 -40.48119 2.00692 2.18347 -40.50291 903.68124
555.0000 -42.24011 -39.44052 2.79959 2.31302 -39.58046 1050.28759
560.0000 -43.29164 -41.04177 2.24987 2.22398 -40.21444 937.57470
565.0000 -42.41203 -40.67141 1.74062 2.16047 -40.66669 964.48380
570.0000 -42.33824 -40.07395 2.26429 2.25202 -40.01481 927.74903
575.0000 -42.47029 -40.06434 2.40596 2.32424 -39.50056 1040.15533
580.0000 -42.83975 -39.41848 3.42126 2.22192 -40.22908 1018.25561
585.0000 -43.39742 -41.69540 1.70202 2.17239 -40.58175 942.99385
590.0000 -42.65423 -40.99033 1.66390 2.10603 -41.05433 813.71591
595.0000 -42.69063 -39.93347 2.75717 2.18410 -40.49843 871.95501
600.0000 -41.73181 -38.38728 3.34453 2.35624 -39.27272 1058.91362
605.0000 -42.77579 -39.87473 2.90105 2.36515 -39.20926 1129.13196
610.0000 -41.84271 -38.90332 2.93938 2.33751 -39.40609 1055.55078
615.0000 -42.21727 -39.00185 3.21542 2.38394 -39.07544 1201.26900
620.0000 -42.94573 -41.09703 1.84870 2.28925 -39.74972 1050.98408
625.0000 -42.50265 -40.48369 2.01895 2.21981 -40.24417 1001.99277
630.0000 -43.18608 -41.18261 2.00347 2.15060 -40.73695 844.62057
635.0000 -43.92800 -41.48447 2.44353 2.07878 -41.24835 809.09585
640.0000 -42.12590 -40.10978 2.01613 2.14697 -40.76280 911.39279
645.0000 -42.12640 -38.93540 3.19100 2.26960 -39.88963 988.64546
650.0000 -42.05545 -39.98079 2.07466 2.34400 -39.35989 1020.29797
655.0000 -41.85988 -39.21114 2.64874 2.34655 -39.34171 1090.33256
660.0000 -42.73046 -40.54866 2.18180 2.24134 -40.09082 992.48938
665.0000 -43.24852 -40.88662 2.36191 2.10021 -41.09575 822.79590
670.0000 -42.48258 -40.74451 1.73807 2.11785 -40.97016 834.69260
675.0000 -43.61487 -41.39913 2.21574 2.09208 -41.15361 815.82258
680.0000 -42.70209 -40.48183 2.22025 2.10562 -41.05719 853.81146
685.0000 -41.92370 -39.01665 2.90704 2.26553 -39.91858 978.26566
690.0000 -42.75528 -39.49790 3.25738 2.31013 -39.60101 1074.64920
695.0000 -43.22816 -41.14457 2.08359 2.13932 -40.81726 854.60206
700.0000 -42.76405 -40.24905 2.51500 2.11949 -40.95848 896.95364
705.0000 -42.91104 -40.43251 2.47853 2.21395 -40.28589 995.25407
710.0000 -43.02204 -40.59606 2.42598 2.13934 -40.81710 871.28329
715.0000 -42.58260 -39.60997 2.97263 2.18422 -40.49756 900.95074
720.0000 -41.93170 -38.97338 2.95832 2.33660 -39.41255 1069.29697
725.0000 -43.02658 -39.62444 3.40214 2.34445 -39.35662 1056.93980
730.0000 -42.66744 -37.66717 5.00028 2.41540 -38.85144 1283.20216
735.0000 -40.86578 -37.88933 2.97645 2.45759 -38.55104 1262.39179
740.0000 -42.12277 -40.25692 1.86585 2.39446 -39.00054 1084.74388
745.0000 -42.19888 -40.15142 2.04746 2.20439 -40.35394 895.48395
750.0000 -43.45544 -40.91593 2.53951 2.18220 -40.51193 899.16698
FREEZING PROCESS: loop number 4 T-loop= 964.00000000000000
main_MD> interactions number 4 at Temperature= 964.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76678 0.77243 -0.56477
force_rgl> df(natom) 0.43634 0.58773 -1.29655
755.0000 -43.24744 -41.57170 1.67573 2.08803 -41.18244 824.00660
760.0000 -42.21801 -40.60359 1.61441 2.12885 -40.89177 831.93603
765.0000 -42.22488 -40.01571 2.20917 2.22285 -40.22248 880.98330
770.0000 -41.96770 -39.43866 2.52904 2.21878 -40.25144 929.45765
775.0000 -41.93247 -39.60618 2.32629 2.25875 -39.96684 947.24237
780.0000 -42.47494 -40.05942 2.41552 2.28607 -39.77234 1036.96917
785.0000 -41.04563 -38.92111 2.12452 2.32942 -39.46364 1043.28029
790.0000 -41.60863 -39.41823 2.19039 2.42912 -38.75374 1115.48691
795.0000 -42.42352 -40.48104 1.94248 2.26870 -39.89606 948.55978
800.0000 -42.73107 -40.28321 2.44786 2.22205 -40.22819 920.83925
805.0000 -42.50548 -40.12528 2.38020 2.24454 -40.06808 986.79106
810.0000 -41.88222 -40.37134 1.51088 2.21397 -40.28569 972.84077
815.0000 -42.58760 -39.34532 3.24228 2.21981 -40.24411 914.55949
820.0000 -41.34765 -39.16752 2.18013 2.33349 -39.43469 1052.22524
825.0000 -42.57668 -40.11189 2.46479 2.30104 -39.66578 1013.02694
830.0000 -42.37257 -40.09885 2.27372 2.25946 -39.96181 1001.21615
835.0000 -42.62132 -39.79553 2.82580 2.19678 -40.40815 921.53532
840.0000 -42.11338 -40.12856 1.98482 2.21780 -40.25842 930.88125
845.0000 -43.12643 -40.30994 2.81649 2.21344 -40.28947 962.58894
850.0000 -42.20331 -40.14247 2.06085 2.24587 -40.05861 1016.72846
855.0000 -42.11580 -39.82222 2.29359 2.23880 -40.10890 969.38834
860.0000 -42.66045 -39.60766 3.05280 2.29766 -39.68981 1077.39103
865.0000 -42.14007 -39.23443 2.90564 2.34294 -39.36742 1119.21221
870.0000 -41.55658 -39.42936 2.12721 2.32668 -39.48316 1038.87768
875.0000 -42.88670 -40.29633 2.59037 2.27264 -39.86796 958.05942
880.0000 -42.78786 -41.06924 1.71862 2.25384 -40.00180 1035.91539
885.0000 -41.86998 -40.35417 1.51581 2.12569 -40.91427 778.11506
890.0000 -43.40354 -41.50985 1.89369 2.10919 -41.03179 869.32527
895.0000 -42.55156 -41.03237 1.51919 2.09885 -41.10542 803.26752
900.0000 -43.35265 -41.09425 2.25840 2.15990 -40.67072 907.81233
905.0000 -42.70164 -40.64990 2.05175 2.16762 -40.61572 864.13429
910.0000 -42.13681 -39.52702 2.60979 2.29552 -39.70504 1027.48447
915.0000 -42.34256 -39.80447 2.53809 2.20965 -40.31645 926.11161
920.0000 -42.62527 -40.03755 2.58772 2.24137 -40.09065 932.76264
925.0000 -43.21581 -41.06068 2.15512 2.18368 -40.50139 948.58440
930.0000 -42.81361 -40.16405 2.64956 2.16113 -40.66198 891.30158
935.0000 -42.87488 -39.97916 2.89572 2.26096 -39.95115 1010.56508
940.0000 -42.03180 -40.58233 1.44947 2.21455 -40.28158 991.10837
945.0000 -43.32323 -41.28925 2.03398 2.15352 -40.71615 866.70455
950.0000 -42.81558 -40.46095 2.35463 2.11987 -40.95574 803.98728
955.0000 -42.60096 -40.21124 2.38972 2.24438 -40.06916 1006.47124
960.0000 -42.42116 -40.24009 2.18107 2.20621 -40.34098 979.59554
965.0000 -43.44240 -41.62129 1.82111 2.14853 -40.75168 888.55973
970.0000 -42.05346 -39.93566 2.11780 2.15368 -40.71502 859.53856
975.0000 -42.81062 -40.23594 2.57468 2.24341 -40.07610 1006.42048
980.0000 -41.97855 -39.58923 2.38932 2.31337 -39.57796 1060.97455
985.0000 -42.36501 -40.12002 2.24500 2.18935 -40.46105 896.80950
990.0000 -42.92892 -40.80582 2.12310 2.14068 -40.80759 836.23499
995.0000 -41.66787 -39.20612 2.46175 2.29655 -39.69775 1016.59191
1000.0000 -42.30707 -39.38870 2.91837 2.31904 -39.53757 1040.05787
FREEZING PROCESS: loop number 5 T-loop= 939.00000000000000
main_MD> interactions number 5 at Temperature= 939.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61356 3.93042 1.89213
force_rgl> df(natom) -8.67670 1.80678 0.11111
1005.0000 -42.24091 -39.90791 2.33300 2.24947 -40.03294 883.78578
1010.0000 -41.31300 -38.23142 3.08158 2.42650 -38.77244 1169.83743
1015.0000 -41.98026 -39.11688 2.86338 2.45783 -38.54933 1191.96450
1020.0000 -42.44054 -39.89606 2.54447 2.30794 -39.61659 1086.29205
1025.0000 -41.42899 -38.37632 3.05267 2.35950 -39.24951 1023.45662
1030.0000 -42.78083 -40.29500 2.48582 2.36971 -39.17682 1095.92399
1035.0000 -43.12949 -41.02442 2.10506 2.17018 -40.59750 893.32240
1040.0000 -42.26505 -39.79856 2.46649 2.18866 -40.46591 912.88994
1045.0000 -43.59321 -41.39538 2.19783 2.13381 -40.85646 887.80519
1050.0000 -43.08723 -40.83735 2.24987 2.07292 -41.29003 796.58846
1055.0000 -43.21708 -41.70822 1.50886 2.07242 -41.29357 805.85180
1060.0000 -42.52299 -41.01232 1.51068 2.00166 -41.79745 682.02439
1065.0000 -42.75569 -40.78275 1.97294 2.09363 -41.14261 797.26319
1070.0000 -43.18551 -41.29215 1.89336 2.06610 -41.33858 742.23410
1075.0000 -43.00321 -40.86733 2.13588 2.09133 -41.15895 806.44861
1080.0000 -42.98158 -40.54984 2.43175 2.14863 -40.75097 925.13042
1085.0000 -42.47482 -39.56315 2.91166 2.20814 -40.32721 880.15951
1090.0000 -42.39174 -39.81178 2.57997 2.26840 -39.89816 929.66827
1095.0000 -42.55052 -40.25742 2.29310 2.28348 -39.79076 939.81542
1100.0000 -42.22928 -40.17222 2.05705 2.22165 -40.23103 1003.34049
1105.0000 -42.09289 -39.85376 2.23912 2.31182 -39.58902 1019.81291
1110.0000 -43.21824 -40.71375 2.50449 2.18557 -40.48792 909.77898
1115.0000 -43.39216 -41.43919 1.95297 2.13638 -40.83821 845.66683
1120.0000 -43.09034 -41.10684 1.98350 2.08109 -41.23187 823.36561
1125.0000 -42.70038 -40.20363 2.49674 2.08375 -41.21294 807.98900
1130.0000 -42.67453 -40.37290 2.30162 2.23046 -40.16831 959.63008
1135.0000 -42.81694 -40.62400 2.19294 2.18608 -40.48434 870.12301
1140.0000 -42.10070 -40.30361 1.79709 2.22541 -40.20427 988.75581
1145.0000 -42.18536 -39.61028 2.57508 2.30125 -39.66422 1044.71277
1150.0000 -42.05941 -39.82339 2.23603 2.37473 -39.14104 1085.07667
1155.0000 -42.89101 -40.26438 2.62664 2.21442 -40.28252 915.39359
1160.0000 -42.85944 -40.98933 1.87011 2.25219 -40.01355 949.03044
1165.0000 -43.29635 -40.66723 2.62913 2.16552 -40.63073 868.24592
1170.0000 -42.36057 -40.57206 1.78851 2.18360 -40.50198 884.76182
1175.0000 -43.17868 -40.82343 2.35525 2.16447 -40.63820 948.22206
1180.0000 -41.61570 -39.60983 2.00588 2.20568 -40.34478 910.34271
1185.0000 -42.73485 -40.25621 2.47864 2.22353 -40.21762 1008.62962
1190.0000 -42.29622 -39.58770 2.70853 2.28934 -39.74904 1000.16519
1195.0000 -41.34514 -38.70367 2.64147 2.36507 -39.20981 1089.50927
1200.0000 -42.48054 -40.27852 2.20201 2.29410 -39.71515 1009.00335
1205.0000 -42.45770 -39.63020 2.82751 2.19593 -40.41420 939.19524
1210.0000 -43.12184 -40.16710 2.95475 2.25862 -39.96778 1015.98547
1215.0000 -42.65496 -40.83833 1.81663 2.19103 -40.44904 944.47982
1220.0000 -41.91758 -39.48649 2.43109 2.29146 -39.73396 1050.36514
1225.0000 -42.41887 -39.71824 2.70063 2.31764 -39.54757 1017.33912
1230.0000 -42.58133 -40.37739 2.20395 2.20411 -40.35591 937.19639
1235.0000 -41.76295 -38.82975 2.93320 2.34247 -39.37074 1040.08255
1240.0000 -41.87968 -39.20303 2.67665 2.32663 -39.48356 1068.93996
1245.0000 -42.63890 -39.90150 2.73740 2.39193 -39.01860 1113.15507
1250.0000 -42.80237 -40.50449 2.29788 2.19278 -40.43657 941.76227
FREEZING PROCESS: loop number 6 T-loop= 914.00000000000000
main_MD> interactions number 6 at Temperature= 914.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.30504 2.47269 -0.57685
force_rgl> df(natom) -4.23032 5.49958 -3.82998
1255.0000 -42.49126 -40.06700 2.42427 2.23992 -40.10092 1005.96488
1260.0000 -42.81652 -40.80736 2.00917 2.14559 -40.77263 830.86558
1265.0000 -42.48245 -39.85685 2.62560 2.22939 -40.17590 989.90601
1270.0000 -43.42294 -40.50833 2.91461 2.20107 -40.37758 957.10894
1275.0000 -41.99881 -39.74279 2.25602 2.25629 -39.98438 994.85759
1280.0000 -43.17607 -41.03264 2.14342 2.16003 -40.66980 934.63803
1285.0000 -42.25377 -40.46222 1.79155 2.12339 -40.93071 812.50033
1290.0000 -42.60260 -40.42400 2.17859 2.17375 -40.57214 885.54253
1295.0000 -41.75168 -39.26048 2.49121 2.22198 -40.22872 933.07253
1300.0000 -42.84042 -40.47452 2.36590 2.27105 -39.87926 1008.87672
1305.0000 -43.11982 -40.90326 2.21656 2.17049 -40.59535 889.20913
1310.0000 -43.40474 -41.25451 2.15023 2.01256 -41.71984 693.76566
1315.0000 -42.92995 -41.07831 1.85164 2.13765 -40.82917 885.45086
1320.0000 -41.51695 -39.84276 1.67419 2.18937 -40.46088 882.25401
1325.0000 -42.86799 -40.02672 2.84127 2.26111 -39.95008 1003.06293
1330.0000 -42.02574 -40.08365 1.94209 2.28218 -39.80006 996.85442
1335.0000 -42.18108 -39.94596 2.23513 2.25209 -40.01427 939.85943
1340.0000 -43.32004 -40.81539 2.50465 2.15826 -40.68240 913.98555
1345.0000 -42.61533 -39.93657 2.67875 2.22996 -40.17188 1052.99202
1350.0000 -42.62968 -40.56069 2.06899 2.16016 -40.66885 960.07571
1355.0000 -42.90237 -40.65245 2.24993 2.17076 -40.59337 957.13252
1360.0000 -43.82544 -42.03064 1.79480 2.09518 -41.13155 818.49738
1365.0000 -43.36955 -41.05085 2.31870 2.01107 -41.73041 742.87027
1370.0000 -42.95006 -40.56485 2.38521 2.20541 -40.34665 958.93885
1375.0000 -42.11593 -40.52280 1.59314 2.19718 -40.40530 971.59125
1380.0000 -41.86127 -40.35870 1.50257 2.18843 -40.46758 869.99905
1385.0000 -41.67305 -39.38931 2.28374 2.22289 -40.22223 918.51082
1390.0000 -41.83242 -39.13819 2.69423 2.27410 -39.85760 992.75985
1395.0000 -42.00530 -39.12767 2.87763 2.33839 -39.39982 1055.95213
1400.0000 -42.44318 -40.18878 2.25440 2.29387 -39.71681 1028.07030
1405.0000 -43.24007 -41.43836 1.80171 2.16246 -40.65250 844.31038
1410.0000 -42.88423 -40.85024 2.03400 2.06407 -41.35304 790.80268
1415.0000 -42.61147 -40.52092 2.09055 2.12712 -40.90411 800.22207
1420.0000 -43.48494 -40.85408 2.63087 2.11837 -40.96640 822.26452
1425.0000 -42.80604 -40.74288 2.06316 2.16957 -40.60186 877.90945
1430.0000 -42.98360 -40.13454 2.84906 2.09408 -41.13938 785.50876
1435.0000 -43.24176 -41.43593 1.80584 2.13682 -40.83503 878.08506
1440.0000 -42.58686 -40.79891 1.78794 2.07088 -41.30459 751.77452
1445.0000 -41.68497 -39.94353 1.74145 2.22049 -40.23927 962.94765
1450.0000 -42.94569 -40.08813 2.85756 2.25120 -40.02061 984.83809
1455.0000 -41.91722 -40.07612 1.84109 2.26811 -39.90025 946.52569
1460.0000 -43.77054 -41.35604 2.41450 2.13647 -40.83757 842.19474
1465.0000 -43.08648 -41.47119 1.61529 2.08491 -41.20466 830.47454
1470.0000 -43.78940 -41.59381 2.19559 2.05634 -41.40812 769.87049
1475.0000 -43.43178 -41.60494 1.82684 2.04221 -41.50874 727.83289
1480.0000 -43.94323 -41.74064 2.20259 2.05920 -41.38774 755.49787
1485.0000 -42.52316 -40.04547 2.47770 2.12928 -40.88878 835.29685
1490.0000 -43.81026 -40.67052 3.13974 2.17584 -40.55725 887.67298
1495.0000 -42.95392 -41.02315 1.93078 2.06239 -41.36502 769.69132
1500.0000 -43.60382 -41.37471 2.22911 2.07828 -41.25188 779.42642
FREEZING PROCESS: loop number 7 T-loop= 889.00000000000000
main_MD> interactions number 7 at Temperature= 889.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.98766 -3.59790 1.37091
force_rgl> df(natom) 1.03011 -1.68697 0.22865
1505.0000 -42.65875 -40.81471 1.84404 2.08440 -41.20830 829.79532
1510.0000 -42.64123 -39.99543 2.64580 2.21377 -40.28713 936.99201
1515.0000 -42.82113 -40.11147 2.70966 2.24858 -40.03925 983.70666
1520.0000 -42.64008 -40.91534 1.72475 2.13941 -40.81663 916.29528
1525.0000 -42.98995 -41.23700 1.75295 2.09535 -41.13037 828.14931
1530.0000 -42.85558 -40.46159 2.39399 2.12041 -40.95192 878.77450
1535.0000 -42.77734 -40.94059 1.83675 2.16829 -40.61098 917.53935
1540.0000 -42.07996 -39.69616 2.38380 2.18301 -40.50615 893.06173
1545.0000 -42.67611 -39.78611 2.89001 2.29726 -39.69266 1033.11318
1550.0000 -43.70718 -40.82144 2.88574 2.25656 -39.98245 980.56322
1555.0000 -43.11430 -41.36885 1.74545 2.04595 -41.48205 796.76925
1560.0000 -43.24111 -41.93560 1.30551 2.03496 -41.56031 757.04455
1565.0000 -42.80749 -41.07846 1.72903 2.04846 -41.46422 745.71947
1570.0000 -42.52150 -40.14779 2.37372 2.13673 -40.83572 846.12411
1575.0000 -42.85057 -40.87536 1.97522 2.16691 -40.62081 919.49838
1580.0000 -42.33752 -39.97611 2.36141 2.21195 -40.30013 961.04132
1585.0000 -43.13255 -40.02210 3.11045 2.27184 -39.87369 1008.38494
1590.0000 -42.62134 -40.89169 1.72964 2.14143 -40.80220 883.67641
1595.0000 -42.70329 -41.18958 1.51371 2.08383 -41.21235 769.13191
1600.0000 -42.06023 -40.17938 1.88085 2.15051 -40.73757 849.38881
1605.0000 -42.93645 -41.34743 1.58903 2.18781 -40.47202 954.77501
1610.0000 -42.94635 -41.00684 1.93951 2.06109 -41.37427 750.28379
1615.0000 -42.44947 -40.74166 1.70781 2.15404 -40.71245 868.82707
1620.0000 -42.41400 -40.66864 1.74536 2.12508 -40.91868 815.77909
1625.0000 -42.99064 -40.76058 2.23006 2.12740 -40.90211 810.81128
1630.0000 -42.94895 -40.58421 2.36474 2.13384 -40.85630 868.54195
1635.0000 -42.94929 -41.18141 1.76788 2.09715 -41.11749 795.06120
1640.0000 -42.40575 -40.16301 2.24274 2.16371 -40.64361 869.84892
1645.0000 -42.92279 -40.97502 1.94777 2.12162 -40.94326 787.64935
1650.0000 -43.37156 -41.82807 1.54349 2.05344 -41.42874 794.31921
1655.0000 -43.24899 -41.06873 2.18026 2.04286 -41.50411 775.36966
1660.0000 -42.91330 -41.03911 1.87418 2.06002 -41.38193 808.32949
1665.0000 -44.04526 -41.34156 2.70370 2.06147 -41.37160 798.51238
1670.0000 -42.91261 -40.74847 2.16415 2.08979 -41.16990 913.31570
1675.0000 -43.64130 -41.82611 1.81519 2.06729 -41.33010 783.55358
1680.0000 -43.58399 -41.70524 1.87875 2.04974 -41.45512 822.52564
1685.0000 -43.62998 -41.68323 1.94675 1.99420 -41.85054 694.58219
1690.0000 -42.41477 -40.32454 2.09024 2.09256 -41.15019 804.93594
1695.0000 -42.18126 -40.01085 2.17041 2.19097 -40.44945 866.59361
1700.0000 -42.67224 -40.58386 2.08839 2.24158 -40.08913 984.80166
1705.0000 -43.12557 -41.33477 1.79080 2.10267 -41.07821 820.54139
1710.0000 -42.88315 -40.56604 2.31711 2.06339 -41.35792 770.93301
1715.0000 -42.68099 -40.74643 1.93457 2.20364 -40.35926 934.44566
1720.0000 -42.44212 -40.11246 2.32966 2.17535 -40.56074 812.45638
1725.0000 -42.09464 -40.19865 1.89599 2.21737 -40.26150 892.59899
1730.0000 -43.20517 -40.89432 2.31086 2.19450 -40.42439 951.98256
1735.0000 -42.51181 -40.39897 2.11284 2.10782 -41.04154 799.29466
1740.0000 -42.63545 -40.59348 2.04197 2.17582 -40.55740 860.92506
1745.0000 -43.24262 -40.64356 2.59906 2.13916 -40.81841 828.85962
1750.0000 -42.81049 -41.10495 1.70555 2.09391 -41.14061 796.39124
FREEZING PROCESS: loop number 8 T-loop= 864.00000000000000
main_MD> interactions number 8 at Temperature= 864.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.62050 -2.32555 2.21168
force_rgl> df(natom) 2.41356 -4.30520 -3.51815
1755.0000 -43.03101 -41.57205 1.45896 2.06495 -41.34682 780.23596
1760.0000 -42.98844 -40.41509 2.57334 2.15032 -40.73894 832.30879
1765.0000 -43.70727 -41.51045 2.19681 2.04560 -41.48458 745.39915
1770.0000 -43.56409 -41.39890 2.16518 2.08769 -41.18490 842.68125
1775.0000 -44.05302 -41.03803 3.01499 2.08287 -41.21923 849.83202
1780.0000 -42.13840 -39.92908 2.20932 2.19826 -40.39760 963.64011
1785.0000 -43.31099 -41.51310 1.79789 2.09628 -41.12373 785.24873
1790.0000 -42.81860 -41.64161 1.17698 2.01146 -41.72769 689.91687
1795.0000 -43.21140 -41.35261 1.85879 2.14506 -40.77641 865.42857
1800.0000 -43.12530 -40.78910 2.33620 2.14527 -40.77490 863.44798
1805.0000 -43.42192 -41.35346 2.06846 2.09166 -41.15664 796.05898
1810.0000 -43.60989 -41.67387 1.93602 1.94937 -42.16977 652.14882
1815.0000 -42.47732 -40.90942 1.56790 2.09705 -41.11821 827.68231
1820.0000 -43.27327 -41.24788 2.02539 2.10848 -41.03683 832.90781
1825.0000 -44.05444 -41.97768 2.07675 2.02865 -41.60525 747.90789
1830.0000 -42.32398 -40.45883 1.86515 2.04693 -41.47512 732.32966
1835.0000 -41.97270 -39.86087 2.11183 2.23780 -40.11601 926.53195
1840.0000 -42.63526 -40.64289 1.99237 2.20181 -40.37230 869.78755
1845.0000 -42.06942 -39.72732 2.34210 2.24520 -40.06333 939.51952
1850.0000 -41.65850 -40.06114 1.59737 2.26180 -39.94512 954.07491
1855.0000 -42.35317 -40.36182 1.99135 2.17453 -40.56656 887.92830
1860.0000 -42.75643 -40.71578 2.04065 2.18790 -40.47134 932.22423
1865.0000 -42.28067 -40.33552 1.94515 2.13860 -40.82237 862.03940
1870.0000 -43.14968 -40.81080 2.33889 2.17945 -40.53150 922.21559
1875.0000 -43.10451 -40.93664 2.16787 2.15058 -40.73710 855.16071
1880.0000 -42.97368 -41.18873 1.78495 2.08796 -41.18296 777.29936
1885.0000 -43.21170 -41.15493 2.05677 2.10905 -41.03278 848.13165
1890.0000 -43.23935 -40.30495 2.93440 2.14211 -40.79736 850.10332
1895.0000 -42.63890 -40.40589 2.23301 2.24276 -40.08072 963.86790
1900.0000 -41.95147 -39.90221 2.04926 2.19876 -40.39403 948.80724
1905.0000 -42.68974 -40.95655 1.73319 2.15039 -40.73845 894.14941
1910.0000 -42.43465 -40.05074 2.38391 2.20630 -40.34033 894.68781
1915.0000 -42.71059 -39.99617 2.71442 2.25417 -39.99947 962.25176
1920.0000 -42.64715 -40.31865 2.32850 2.22296 -40.22173 987.50849
1925.0000 -42.11788 -39.69236 2.42552 2.29144 -39.73411 1098.51320
1930.0000 -41.49269 -39.96273 1.52996 2.22674 -40.19476 989.36272
1935.0000 -42.22695 -39.97669 2.25026 2.24787 -40.04438 937.78357
1940.0000 -43.83743 -41.89131 1.94612 2.13408 -40.85454 861.45740
1945.0000 -42.78730 -40.69805 2.08924 2.07864 -41.24930 733.29623
1950.0000 -43.00927 -41.26868 1.74060 2.08620 -41.19549 768.94085
1955.0000 -42.82357 -39.93870 2.88487 2.16402 -40.64142 867.86952
1960.0000 -43.38923 -39.96686 3.42237 2.28727 -39.76380 1040.75116
1965.0000 -43.03826 -40.96894 2.06932 2.11680 -40.97762 881.94197
1970.0000 -43.21283 -40.92965 2.28318 2.15583 -40.69967 863.23037
1975.0000 -42.85014 -41.01682 1.83332 2.13179 -40.87088 783.39577
1980.0000 -42.20439 -40.27826 1.92613 2.23887 -40.10840 977.72761
1985.0000 -43.08472 -41.39779 1.68694 2.16316 -40.64753 907.89980
1990.0000 -42.90989 -40.36607 2.54383 2.16488 -40.63526 864.34902
1995.0000 -42.82865 -40.62098 2.20767 2.21411 -40.28474 957.25679
2000.0000 -43.77421 -41.22098 2.55323 2.07030 -41.30871 766.36792
FREEZING PROCESS: loop number 9 T-loop= 839.00000000000000
main_MD> interactions number 9 at Temperature= 839.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42234 1.43303 -1.06213
force_rgl> df(natom) -6.99517 -1.08130 1.87964
2005.0000 -43.39228 -41.10158 2.29070 2.05316 -41.43073 777.83341
2010.0000 -43.11199 -40.54557 2.56642 2.15511 -40.70480 876.99061
2015.0000 -42.98981 -40.36717 2.62265 2.19204 -40.44184 940.03755
2020.0000 -42.76615 -40.06466 2.70149 2.23460 -40.13883 973.84324
2025.0000 -43.04011 -40.75459 2.28552 2.19421 -40.42640 898.12196
2030.0000 -42.97271 -40.50149 2.47122 2.17197 -40.58476 912.56270
2035.0000 -43.10488 -41.27462 1.83025 2.12429 -40.92427 903.50221
2040.0000 -43.36776 -41.22576 2.14201 2.11084 -41.02005 824.81177
2045.0000 -43.40718 -41.62912 1.77806 2.06290 -41.36137 712.97068
2050.0000 -43.45176 -41.25936 2.19240 2.04787 -41.46844 798.36877
2055.0000 -43.81598 -41.93682 1.87915 2.03598 -41.55311 811.32435
2060.0000 -43.98259 -41.41235 2.57024 2.02370 -41.64048 766.48987
2065.0000 -43.94012 -42.28113 1.65899 2.00465 -41.77614 759.17438
2070.0000 -42.79245 -41.21384 1.57860 2.01220 -41.72242 714.34602
2075.0000 -43.27079 -41.13799 2.13280 2.04353 -41.49931 754.87546
2080.0000 -43.45621 -41.40384 2.05237 2.16078 -40.66447 847.82030
2085.0000 -43.12347 -41.04162 2.08186 2.05773 -41.39817 779.24184
2090.0000 -42.74670 -40.46039 2.28631 2.18956 -40.45952 919.34269
2095.0000 -43.20440 -40.85611 2.34829 2.16240 -40.65291 891.98616
2100.0000 -43.66206 -41.56318 2.09887 2.04109 -41.51669 750.39670
2105.0000 -42.65318 -40.06267 2.59050 2.19945 -40.38909 916.61929
2110.0000 -42.73376 -40.43585 2.29791 2.23346 -40.14696 875.08866
2115.0000 -42.17414 -40.13592 2.03821 2.20470 -40.35176 887.52004
2120.0000 -43.18537 -41.51895 1.66642 2.07993 -41.24014 741.26762
2125.0000 -43.54839 -41.37294 2.17545 2.09624 -41.12404 825.91289
2130.0000 -43.60904 -42.02295 1.58610 2.03301 -41.57425 730.96165
2135.0000 -42.93691 -40.43589 2.50101 2.09839 -41.10869 808.46189
2140.0000 -42.48097 -40.22345 2.25751 2.23652 -40.12514 979.52238
2145.0000 -42.26285 -40.48601 1.77684 2.18106 -40.52006 921.65440
2150.0000 -43.08143 -40.72555 2.35588 2.20419 -40.35536 904.69866
2155.0000 -42.84270 -40.67494 2.16776 2.17914 -40.53374 916.56304
2160.0000 -43.14296 -40.98419 2.15876 2.13012 -40.88278 831.24394
2165.0000 -42.29158 -40.57276 1.71882 2.19678 -40.40812 910.03021
2170.0000 -42.90016 -41.06096 1.83920 2.19855 -40.39554 953.90822
2175.0000 -42.56481 -40.29853 2.26628 2.14598 -40.76984 867.78641
2180.0000 -42.41456 -41.15815 1.25642 2.11921 -40.96045 787.88083
2185.0000 -42.88515 -40.15168 2.73347 2.14149 -40.80183 874.93554
2190.0000 -42.76647 -40.54545 2.22102 2.15492 -40.70618 911.55816
2195.0000 -42.44344 -40.64480 1.79864 2.22135 -40.23318 910.44109
2200.0000 -43.43661 -41.26869 2.16792 2.09461 -41.13563 763.62210
2205.0000 -42.63685 -41.01201 1.62484 2.12617 -40.91088 859.77581
2210.0000 -43.22149 -40.46334 2.75816 2.19580 -40.41509 921.67277
2215.0000 -43.01235 -40.88607 2.12628 2.16628 -40.62530 934.49252
2220.0000 -43.03998 -41.08839 1.95158 2.13717 -40.83259 837.20115
2225.0000 -43.18408 -40.64951 2.53457 2.10166 -41.08538 838.39707
2230.0000 -43.11886 -40.93254 2.18632 2.21675 -40.26592 896.22325
2235.0000 -42.58119 -41.19864 1.38255 2.11211 -41.01102 806.15725
2240.0000 -43.36627 -40.87033 2.49593 2.20487 -40.35053 871.68639
2245.0000 -42.76382 -40.62102 2.14280 2.13286 -40.86322 849.02291
2250.0000 -43.69202 -42.05607 1.63595 2.03013 -41.59476 776.74045
FREEZING PROCESS: loop number 10 T-loop= 814.00000000000000
main_MD> interactions number 10 at Temperature= 814.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79493 -1.80718 1.60573
force_rgl> df(natom) -0.74307 -0.83536 0.25645
2255.0000 -43.53948 -41.28088 2.25860 2.02022 -41.66529 705.11287
2260.0000 -43.55795 -41.88526 1.67269 2.11147 -41.01558 812.68985
2265.0000 -43.42626 -41.92852 1.49774 2.00962 -41.74078 699.18282
2270.0000 -44.02573 -41.64522 2.38051 2.00243 -41.79199 666.95174
2275.0000 -44.02197 -41.77574 2.24623 2.05081 -41.44751 757.32958
2280.0000 -43.53643 -41.74980 1.78663 1.95833 -42.10600 620.91341
2285.0000 -43.46076 -41.76441 1.69635 1.98274 -41.93219 667.01584
2290.0000 -43.53574 -41.23127 2.30447 2.07165 -41.29911 783.85747
2295.0000 -43.69411 -41.57425 2.11985 2.13943 -40.81650 857.12570
2300.0000 -42.68851 -40.65464 2.03387 2.01632 -41.69306 718.12488
2305.0000 -43.37476 -41.30693 2.06783 2.06144 -41.37178 733.51133
2310.0000 -43.72081 -42.08885 1.63196 2.02474 -41.63313 694.13187
2315.0000 -42.71424 -40.69103 2.02320 2.12166 -40.94300 828.18230
2320.0000 -43.17329 -41.41108 1.76222 2.06135 -41.37244 773.58017
2325.0000 -43.82771 -42.02052 1.80718 1.99828 -41.82148 725.16175
2330.0000 -43.26943 -40.85865 2.41078 2.01190 -41.72450 709.95056
2335.0000 -42.50499 -40.67718 1.82781 2.14590 -40.77040 917.08310
2340.0000 -43.21178 -41.69576 1.51603 2.10883 -41.03434 869.47155
2345.0000 -43.69481 -40.99661 2.69819 2.06624 -41.33761 787.42832
2350.0000 -43.26221 -41.85252 1.40969 2.03435 -41.56468 800.12301
2355.0000 -43.20006 -41.28727 1.91279 2.00473 -41.77558 700.05019
2360.0000 -44.06551 -41.62927 2.43625 2.03705 -41.54546 787.34121
2365.0000 -43.22283 -41.01399 2.20884 2.10322 -41.07433 854.36929
2370.0000 -43.30543 -41.54316 1.76227 2.03643 -41.54985 770.59061
2375.0000 -43.42934 -41.76008 1.66926 2.00772 -41.75430 720.47647
2380.0000 -42.65760 -40.94066 1.71694 2.09141 -41.15841 851.11980
2385.0000 -43.18371 -41.36875 1.81497 2.14752 -40.75890 795.93190
2390.0000 -43.71345 -41.74473 1.96872 2.08517 -41.20284 774.12926
2395.0000 -43.37640 -41.71527 1.66113 1.99505 -41.84450 732.11060
2400.0000 -42.94843 -40.93451 2.01391 2.15612 -40.69765 894.64149
2405.0000 -43.68795 -41.20778 2.48017 2.08498 -41.20417 802.09568
2410.0000 -43.04473 -41.36863 1.67611 2.10929 -41.03112 833.00615
2415.0000 -43.14019 -41.53023 1.60996 2.06192 -41.36838 755.64244
2420.0000 -43.21137 -40.94432 2.26705 2.08012 -41.23881 791.31300
2425.0000 -43.21516 -41.61160 1.60357 2.06182 -41.36910 738.56758
2430.0000 -43.48474 -40.93548 2.54926 2.06789 -41.32588 808.42307
2435.0000 -43.36446 -41.30218 2.06228 2.04563 -41.48434 782.24485
2440.0000 -43.24604 -40.78176 2.46428 2.06150 -41.37138 776.56835
2445.0000 -42.72879 -40.88609 1.84270 2.18715 -40.47665 906.87171
2450.0000 -43.08307 -41.32723 1.75584 2.11013 -41.02511 809.55853
2455.0000 -42.78143 -41.23449 1.54694 2.10044 -41.09408 815.51597
2460.0000 -42.98536 -40.88923 2.09613 2.10800 -41.04027 832.33711
2465.0000 -42.33376 -39.61430 2.71945 2.15264 -40.72243 911.53685
2470.0000 -42.86068 -40.61575 2.24493 2.19053 -40.45265 950.72241
2475.0000 -42.67885 -40.78505 1.89380 2.19443 -40.42489 915.64897
2480.0000 -43.21446 -41.06978 2.14468 2.15275 -40.72159 879.39489
2485.0000 -43.25213 -41.84099 1.41114 2.05380 -41.42616 755.21367
2490.0000 -42.50498 -40.29407 2.21091 2.08958 -41.17142 799.33832
2495.0000 -42.82302 -40.75735 2.06567 2.19377 -40.42955 946.48634
2500.0000 -42.91972 -40.80649 2.11322 2.09165 -41.15668 832.43544
FREEZING PROCESS: loop number 11 T-loop= 789.00000000000000
main_MD> interactions number 11 at Temperature= 789.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58101 2.31615 -0.97835
force_rgl> df(natom) 0.67415 -0.68815 2.46223
2505.0000 -42.90340 -40.29100 2.61240 2.11337 -41.00205 859.40586
2510.0000 -43.53665 -41.55976 1.97689 2.17597 -40.55629 927.46101
2515.0000 -43.00687 -40.87182 2.13504 2.14002 -40.81230 896.11904
2520.0000 -42.85799 -40.99482 1.86316 2.06466 -41.34888 823.30210
2525.0000 -42.56260 -39.56979 2.99281 2.26465 -39.92485 1030.39110
2530.0000 -43.46909 -41.67736 1.79173 2.21246 -40.29644 917.46322
2535.0000 -43.61256 -42.33736 1.27520 1.97029 -42.02081 662.87053
2540.0000 -43.77143 -42.57594 1.19549 1.91525 -42.41275 579.85032
2545.0000 -43.44574 -41.84701 1.59873 1.97472 -41.98929 680.62795
2550.0000 -43.92704 -42.38238 1.54466 1.94340 -42.21229 625.44609
2555.0000 -43.68253 -41.52374 2.15880 1.98376 -41.92492 714.33297
2560.0000 -43.63446 -41.76825 1.86621 2.02333 -41.64314 749.82392
2565.0000 -42.93618 -40.45836 2.47783 2.05074 -41.44795 773.90354
2570.0000 -43.01753 -41.11859 1.89894 2.16632 -40.62501 888.49621
2575.0000 -42.95047 -40.92620 2.02427 2.15506 -40.70520 871.32524
2580.0000 -42.43981 -40.06971 2.37010 2.16644 -40.62415 923.87129
2585.0000 -42.82610 -40.51553 2.31057 2.21833 -40.25468 990.68630
2590.0000 -43.02921 -41.20958 1.81962 2.13723 -40.83212 870.28248
2595.0000 -43.55575 -41.24333 2.31242 2.08849 -41.17917 775.49832
2600.0000 -43.13919 -41.37292 1.76627 2.08280 -41.21971 773.76133
2605.0000 -43.10068 -41.62679 1.47389 2.01700 -41.68822 683.84839
2610.0000 -42.86409 -40.35521 2.50888 2.12967 -40.88595 850.31023
2615.0000 -43.01049 -41.02693 1.98356 2.12699 -40.90506 830.07906
2620.0000 -42.35134 -41.18483 1.16651 2.12980 -40.88506 832.83351
2625.0000 -43.11571 -40.88560 2.23011 2.14361 -40.78673 800.42215
2630.0000 -43.26849 -40.78630 2.48218 2.18758 -40.47363 907.55776
2635.0000 -43.47503 -41.02041 2.45461 2.16227 -40.65385 870.50956
2640.0000 -43.50810 -41.45162 2.05648 2.11284 -41.00583 826.53505
2645.0000 -43.39673 -41.27166 2.12507 2.05027 -41.45130 767.44203
2650.0000 -44.01731 -41.66108 2.35623 2.02199 -41.65269 722.22008
2655.0000 -43.51472 -41.81732 1.69740 2.02858 -41.60577 774.56996
2660.0000 -43.32946 -41.52854 1.80093 2.03677 -41.54748 754.02620
2665.0000 -43.37592 -41.58630 1.78962 2.05299 -41.43196 805.11767
2670.0000 -42.84594 -40.70783 2.13811 2.13587 -40.84180 821.53307
2675.0000 -42.93630 -40.63078 2.30552 2.18260 -40.50907 852.90571
2680.0000 -42.99574 -41.67204 1.32369 2.10869 -41.03535 764.80729
2685.0000 -43.09768 -41.02218 2.07550 2.06329 -41.35864 734.42953
2690.0000 -42.21326 -40.41742 1.79584 2.19053 -40.45261 943.66998
2695.0000 -42.70755 -41.31525 1.39230 2.10941 -41.03023 795.83011
2700.0000 -44.07433 -41.86581 2.20852 2.01954 -41.67015 710.65610
2705.0000 -43.41349 -41.70905 1.70443 2.01075 -41.73269 727.23376
2710.0000 -43.56577 -41.63771 1.92805 2.02587 -41.62509 719.89662
2715.0000 -42.69186 -40.21412 2.47774 2.09476 -41.13451 819.75479
2720.0000 -42.67183 -41.13980 1.53203 2.15397 -40.71297 844.72996
2725.0000 -43.24304 -41.36663 1.87642 2.05484 -41.41878 763.66384
2730.0000 -43.72792 -42.11646 1.61146 2.04891 -41.46104 718.69305
2735.0000 -43.67081 -41.63670 2.03412 1.99397 -41.85219 740.51076
2740.0000 -43.58807 -41.69270 1.89536 2.02330 -41.64333 757.37908
2745.0000 -43.29180 -41.44587 1.84593 2.10867 -41.03548 814.41274
2750.0000 -42.99149 -41.40062 1.59087 2.07743 -41.25795 775.68173
FREEZING PROCESS: loop number 12 T-loop= 764.00000000000000
main_MD> interactions number 12 at Temperature= 764.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.42380 -7.37981 6.49597
force_rgl> df(natom) 0.68445 0.53583 1.84450
2755.0000 -43.65080 -41.78940 1.86141 2.04605 -41.48135 787.89718
2760.0000 -43.84233 -41.84623 1.99610 2.02186 -41.65360 731.88323
2765.0000 -43.21982 -41.46036 1.75946 2.00052 -41.80553 684.98491
2770.0000 -43.33270 -41.59920 1.73350 2.03685 -41.54688 689.06840
2775.0000 -43.63807 -41.83695 1.80112 1.99905 -41.81601 698.91688
2780.0000 -43.11408 -40.66935 2.44473 2.05908 -41.38857 782.07272
2785.0000 -43.11730 -41.12277 1.99453 2.09949 -41.10085 842.49330
2790.0000 -44.36033 -42.53157 1.82877 2.01886 -41.67498 711.44071
2795.0000 -43.67655 -41.81936 1.85718 1.99811 -41.82269 716.16654
2800.0000 -43.99436 -42.05117 1.94319 1.96155 -42.08307 673.30317
2805.0000 -43.41464 -41.93798 1.47666 2.01242 -41.72086 708.57090
2810.0000 -42.86898 -41.09636 1.77262 2.07345 -41.28625 755.03124
2815.0000 -42.57162 -40.73358 1.83805 2.11170 -41.01392 856.35574
2820.0000 -42.80320 -40.84084 1.96236 2.15160 -40.72983 851.89644
2825.0000 -42.52984 -40.38969 2.14015 2.15426 -40.71091 898.99309
2830.0000 -42.52953 -40.91161 1.61792 2.13237 -40.86674 837.07108
2835.0000 -43.61972 -42.02145 1.59827 2.08122 -41.23097 765.72404
2840.0000 -43.50825 -41.83384 1.67440 2.00431 -41.77859 698.03456
2845.0000 -42.73858 -41.01265 1.72593 2.05476 -41.41937 815.91186
2850.0000 -43.93088 -41.65055 2.28032 2.13739 -40.83102 876.94407
2855.0000 -42.72453 -40.92788 1.79665 2.01035 -41.73560 805.28547
2860.0000 -42.90659 -40.70421 2.20238 2.11712 -40.97536 847.35813
2865.0000 -43.35593 -41.04268 2.31325 2.14349 -40.78755 853.87706
2870.0000 -43.15431 -40.96701 2.18731 2.09351 -41.14345 850.33510
2875.0000 -43.55569 -41.53244 2.02325 2.05186 -41.43997 764.60921
2880.0000 -42.60941 -41.01468 1.59472 2.07523 -41.27357 820.84183
2885.0000 -43.18011 -41.33245 1.84766 2.16440 -40.63868 941.52926
2890.0000 -43.22659 -41.08986 2.13673 2.08221 -41.22391 791.67066
2895.0000 -43.72450 -42.23059 1.49391 1.99583 -41.83895 718.72160
2900.0000 -43.40539 -41.62920 1.77619 2.00727 -41.75753 709.70592
2905.0000 -43.32922 -41.69134 1.63788 2.00017 -41.80807 721.02971
2910.0000 -43.22724 -41.77463 1.45260 2.02798 -41.61007 691.89766
2915.0000 -44.25461 -42.28264 1.97198 1.93527 -42.27019 623.29881
2920.0000 -43.76710 -42.20026 1.56684 1.92951 -42.31121 682.48287
2925.0000 -43.13657 -42.06690 1.06967 1.95306 -42.14347 688.67550
2930.0000 -43.38388 -41.38572 1.99816 2.04007 -41.52392 688.61720
2935.0000 -42.80422 -41.03635 1.76787 2.08695 -41.19012 835.96444
2940.0000 -42.95819 -40.58747 2.37072 2.20316 -40.36268 913.37061
2945.0000 -43.00401 -40.93760 2.06642 2.14757 -40.75852 820.79444
2950.0000 -42.99731 -40.78354 2.21377 2.14518 -40.77550 874.44038
2955.0000 -43.46310 -41.87938 1.58371 2.02087 -41.66064 709.92990
2960.0000 -43.04710 -41.23752 1.80958 2.06406 -41.35312 810.55097
2965.0000 -43.34511 -41.61230 1.73281 2.06509 -41.34580 808.95258
2970.0000 -43.22945 -41.42923 1.80022 2.01837 -41.67845 729.22234
2975.0000 -43.47651 -41.65982 1.81669 2.06425 -41.35178 829.02947
2980.0000 -43.37476 -41.28051 2.09425 2.07627 -41.26617 791.37767
2985.0000 -42.43978 -40.80606 1.63372 2.11915 -40.96086 823.50804
2990.0000 -43.09880 -41.76205 1.33675 2.07455 -41.27848 773.34463
2995.0000 -43.86438 -42.42866 1.43572 1.98623 -41.90735 697.94424
3000.0000 -44.27818 -42.67170 1.60649 1.89577 -42.55145 586.86860
FREEZING PROCESS: loop number 13 T-loop= 739.00000000000000
main_MD> interactions number 13 at Temperature= 739.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39231 -4.14848 2.05345
force_rgl> df(natom) -0.45619 -0.26690 -1.39487
3005.0000 -43.59186 -41.74318 1.84869 1.90499 -42.48576 625.44506
3010.0000 -42.94753 -41.35431 1.59322 2.06748 -41.32878 767.38122
3015.0000 -43.26887 -41.08335 2.18551 2.11977 -40.95648 793.28373
3020.0000 -44.32300 -42.18119 2.14181 2.04436 -41.49341 764.05713
3025.0000 -43.55664 -41.78284 1.77380 1.98555 -41.91215 671.11173
3030.0000 -43.00427 -41.43649 1.56777 2.00568 -41.76879 733.27845
3035.0000 -43.37143 -41.90559 1.46584 2.03654 -41.54907 769.87066
3040.0000 -43.97396 -41.68750 2.28646 1.94921 -42.17094 666.61899
3045.0000 -43.83316 -41.49107 2.34209 2.01988 -41.66773 714.04960
3050.0000 -43.28251 -41.47849 1.80402 2.05674 -41.40527 778.98535
3055.0000 -43.41019 -41.42569 1.98450 1.99628 -41.83573 717.65435
3060.0000 -43.12087 -41.89425 1.22663 2.00314 -41.78694 690.56197
3065.0000 -42.84162 -41.10998 1.73164 2.05060 -41.44898 760.25933
3070.0000 -43.53235 -41.64861 1.88373 2.02645 -41.62092 744.08754
3075.0000 -43.87926 -42.82118 1.05808 1.95419 -42.13545 667.06602
3080.0000 -42.96559 -41.42065 1.54494 1.96742 -42.04127 682.36206
3085.0000 -43.67412 -41.29105 2.38307 2.03749 -41.54233 750.48094
3090.0000 -43.49055 -41.18332 2.30723 2.06046 -41.37876 812.19614
3095.0000 -43.19796 -41.14094 2.05702 2.07015 -41.30978 789.76882
3100.0000 -43.22795 -41.28135 1.94659 2.06652 -41.33561 795.30781
3105.0000 -42.67594 -41.00032 1.67561 2.01986 -41.66784 721.73855
3110.0000 -43.80239 -41.85069 1.95170 2.06871 -41.32005 769.96999
3115.0000 -43.39730 -41.70019 1.69711 1.97051 -42.01925 672.99507
3120.0000 -44.15483 -42.65689 1.49794 1.96953 -42.02624 670.98416
3125.0000 -43.97356 -41.67943 2.29413 1.90508 -42.48516 608.33670
3130.0000 -43.38278 -41.48277 1.90000 1.97483 -41.98848 687.76075
3135.0000 -43.10937 -41.02560 2.08378 2.08686 -41.19078 815.71215
3140.0000 -42.41167 -41.21122 1.20044 2.02912 -41.60192 753.12344
3145.0000 -43.25686 -41.77361 1.48325 2.12165 -40.94308 834.16483
3150.0000 -43.24657 -41.32661 1.91996 2.03826 -41.53681 711.57898
3155.0000 -42.97566 -40.88823 2.08743 2.09875 -41.10610 797.48150
3160.0000 -43.84630 -42.14007 1.70623 2.04860 -41.46323 790.32449
3165.0000 -43.21684 -40.87173 2.34511 2.01590 -41.69605 751.65393
3170.0000 -43.21352 -40.83200 2.38152 2.13393 -40.85565 882.52947
3175.0000 -43.70097 -41.41958 2.28139 2.06957 -41.31389 789.45284
3180.0000 -42.60379 -40.84829 1.75550 2.07302 -41.28933 800.38136
3185.0000 -42.90992 -41.22785 1.68206 2.10120 -41.08870 799.84220
3190.0000 -43.63958 -41.33999 2.29958 2.06506 -41.34603 747.82608
3195.0000 -43.12111 -41.28054 1.84057 2.01600 -41.69535 701.63489
3200.0000 -43.97775 -41.98955 1.98821 1.96202 -42.07966 660.63040
3205.0000 -43.66018 -42.33389 1.32629 1.92453 -42.34665 671.01270
3210.0000 -43.41807 -41.07489 2.34317 1.99851 -41.81988 692.76005
3215.0000 -42.68167 -40.53775 2.14392 2.08932 -41.17327 828.33030
3220.0000 -43.71189 -41.51858 2.19331 2.10004 -41.09696 766.84214
3225.0000 -42.57452 -40.56815 2.00637 2.10687 -41.04831 786.25166
3230.0000 -43.42590 -41.78722 1.63868 2.06216 -41.36663 748.23282
3235.0000 -43.26982 -41.39741 1.87241 2.04749 -41.47115 744.71457
3240.0000 -43.87813 -42.00790 1.87023 1.97269 -42.00370 637.05794
3245.0000 -42.73716 -41.09554 1.64162 2.04216 -41.50909 753.83186
3250.0000 -43.06395 -41.50513 1.55882 2.10100 -41.09013 822.40096
FREEZING PROCESS: loop number 14 T-loop= 714.00000000000000
main_MD> interactions number 14 at Temperature= 714.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92270 3.81677 0.44842
force_rgl> df(natom) 2.45944 0.66540 -3.67908
3255.0000 -43.71632 -41.66937 2.04694 2.07883 -41.24798 760.99651
3260.0000 -43.61679 -41.91002 1.70677 2.00889 -41.74597 707.63710
3265.0000 -43.63024 -41.99689 1.63336 2.03874 -41.53345 705.12881
3270.0000 -43.72613 -41.63335 2.09278 2.00702 -41.75931 713.62622
3275.0000 -43.60833 -42.06160 1.54674 2.02926 -41.60090 738.20739
3280.0000 -43.48066 -41.83475 1.64591 1.98592 -41.90949 689.09447
3285.0000 -43.05219 -41.60948 1.44271 2.01428 -41.70756 711.60179
3290.0000 -42.74410 -41.31002 1.43407 2.02654 -41.62026 735.86390
3295.0000 -43.00865 -40.97608 2.03257 2.07938 -41.24407 790.73683
3300.0000 -43.55827 -41.88659 1.67168 2.05773 -41.39823 769.00382
3305.0000 -43.73097 -42.06131 1.66966 1.96235 -42.07738 686.83619
3310.0000 -44.26379 -42.66384 1.59994 1.96381 -42.06693 664.01752
3315.0000 -43.15224 -41.34864 1.80360 2.01871 -41.67605 703.23253
3320.0000 -43.28635 -41.72694 1.55941 2.05405 -41.42438 746.35886
3325.0000 -44.00881 -42.41173 1.59708 1.96097 -42.08715 662.72459
3330.0000 -44.02225 -42.46171 1.56054 1.89971 -42.52337 592.57127
3335.0000 -43.72147 -41.98331 1.73816 1.94697 -42.18686 663.32310
3340.0000 -43.71211 -42.25147 1.46063 1.94804 -42.17923 667.43855
3345.0000 -43.44236 -42.40389 1.03847 1.95018 -42.16398 646.29668
3350.0000 -43.71409 -41.96977 1.74431 1.98867 -41.88996 663.53228
3355.0000 -44.38957 -42.50509 1.88448 1.95688 -42.11628 622.74452
3360.0000 -43.01181 -41.49326 1.51855 2.00696 -41.75973 743.19845
3365.0000 -43.64191 -42.32360 1.31830 2.02972 -41.59767 716.46717
3370.0000 -43.86203 -42.03701 1.82502 1.94455 -42.20406 636.83087
3375.0000 -43.29962 -41.99433 1.30529 1.97047 -42.01952 674.39595
3380.0000 -43.89026 -42.42552 1.46474 1.91398 -42.42174 601.55195
3385.0000 -43.97405 -42.05211 1.92194 1.93563 -42.26760 611.36354
3390.0000 -43.03086 -41.32910 1.70176 2.01988 -41.66770 779.56383
3395.0000 -43.07297 -41.31963 1.75333 2.06904 -41.31766 753.19323
3400.0000 -43.33689 -41.44480 1.89209 2.06762 -41.32778 806.47106
3405.0000 -43.85662 -41.33227 2.52435 2.09774 -41.11335 830.68099
3410.0000 -43.73581 -41.93921 1.79660 1.98663 -41.90444 667.54778
3415.0000 -43.67056 -41.57814 2.09242 1.97809 -41.96530 684.78984
3420.0000 -43.25030 -41.72777 1.52253 1.99490 -41.84557 679.58963
3425.0000 -44.11449 -42.29529 1.81920 1.94182 -42.22351 645.73780
3430.0000 -44.16572 -42.20001 1.96571 1.90569 -42.48081 618.94175
3435.0000 -43.37841 -41.80722 1.57119 1.98254 -41.93358 706.75079
3440.0000 -43.47405 -41.59340 1.88065 1.98955 -41.88367 686.86384
3445.0000 -43.84455 -41.28933 2.55522 2.06016 -41.38094 765.83932
3450.0000 -43.80264 -42.49357 1.30907 2.02142 -41.65671 702.99911
3455.0000 -44.37746 -42.50151 1.87596 1.85546 -42.83844 614.02202
3460.0000 -44.00863 -41.41850 2.59013 1.92043 -42.37585 709.70154
3465.0000 -43.66077 -41.58293 2.07783 2.05751 -41.39979 754.80642
3470.0000 -42.98074 -40.93278 2.04795 2.03684 -41.54698 710.18790
3475.0000 -43.12318 -41.22205 1.90113 2.12206 -40.94019 836.43858
3480.0000 -43.51259 -41.90409 1.60850 2.03674 -41.54766 755.66309
3485.0000 -43.21080 -41.50805 1.70276 1.97429 -41.99235 666.38837
3490.0000 -43.56138 -41.05850 2.50287 2.08668 -41.19210 807.09873
3495.0000 -43.75572 -41.84839 1.90733 2.02456 -41.63437 759.80143
3500.0000 -43.34653 -41.61215 1.73439 1.96041 -42.09117 653.28370
FREEZING PROCESS: loop number 15 T-loop= 689.00000000000000
main_MD> interactions number 15 at Temperature= 689.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02107 0.10889 -0.95841
force_rgl> df(natom) 1.25978 -1.67512 0.53074
3505.0000 -43.57517 -41.99164 1.58353 1.94267 -42.21749 628.11796
3510.0000 -44.06734 -43.07993 0.98741 1.94680 -42.18805 660.95427
3515.0000 -43.51432 -42.32178 1.19254 1.90839 -42.46158 604.73476
3520.0000 -43.98790 -42.42250 1.56540 1.92110 -42.37104 608.24478
3525.0000 -44.14829 -42.60493 1.54336 1.92571 -42.33824 631.52624
3530.0000 -43.93459 -42.51113 1.42346 1.89513 -42.55597 622.74608
3535.0000 -43.32298 -41.79736 1.52563 1.97332 -41.99922 651.99895
3540.0000 -43.79826 -41.96168 1.83657 1.98267 -41.93267 728.51803
3545.0000 -44.10673 -42.24273 1.86401 1.92010 -42.37819 704.24128
3550.0000 -43.68522 -42.28429 1.40093 1.90161 -42.50981 589.14607
3555.0000 -43.41343 -41.12073 2.29269 1.98498 -41.91618 692.74996
3560.0000 -43.12300 -41.69110 1.43189 2.02776 -41.61161 749.63597
3565.0000 -43.73675 -41.55800 2.17874 2.05124 -41.44439 763.47058
3570.0000 -43.58541 -41.57266 2.01275 2.01922 -41.67244 726.40330
3575.0000 -43.70784 -41.28822 2.41962 2.05832 -41.39399 758.94512
3580.0000 -42.56524 -40.89602 1.66921 2.06836 -41.32251 803.90638
3585.0000 -43.72463 -41.54081 2.18382 2.06574 -41.34117 796.70203
3590.0000 -42.86930 -41.06529 1.80401 2.03327 -41.57237 759.12129
3595.0000 -43.33333 -41.44927 1.88406 2.09363 -41.14261 805.29719
3600.0000 -43.06244 -41.31860 1.74384 2.06052 -41.37832 745.92434
3605.0000 -43.56312 -41.59459 1.96854 2.06211 -41.36705 773.23996
3610.0000 -43.39608 -41.90318 1.49289 2.01262 -41.71944 682.04360
3615.0000 -43.68058 -41.56960 2.11098 2.03241 -41.57849 689.93162
3620.0000 -43.54504 -41.63336 1.91167 2.04569 -41.48394 816.30273
3625.0000 -43.35104 -41.65064 1.70040 1.97773 -41.96780 670.09266
3630.0000 -42.58263 -40.40000 2.18264 2.09764 -41.11403 796.59930
3635.0000 -43.02724 -40.65913 2.36811 2.13439 -40.85237 828.78606
3640.0000 -43.39546 -40.90382 2.49163 2.16520 -40.63297 938.35807
3645.0000 -43.55360 -42.16859 1.38501 2.07814 -41.25287 823.80354
3650.0000 -43.71493 -41.40837 2.30656 1.97855 -41.96196 716.82659
3655.0000 -43.22674 -41.53861 1.68814 2.00826 -41.75045 722.96140
3660.0000 -43.72930 -42.12126 1.60804 2.02039 -41.66410 704.39514
3665.0000 -43.44313 -41.39515 2.04797 2.05029 -41.45119 744.22538
3670.0000 -44.09916 -42.01156 2.08760 2.02570 -41.62624 771.94915
3675.0000 -43.26412 -41.27060 1.99353 2.02371 -41.64047 713.14813
3680.0000 -43.10499 -41.67836 1.42664 2.04202 -41.51005 769.70819
3685.0000 -44.12962 -42.30954 1.82008 1.97806 -41.96549 723.27050
3690.0000 -43.62808 -41.98256 1.64552 1.91931 -42.38381 600.06621
3695.0000 -43.92605 -42.46616 1.45989 1.94450 -42.20448 666.41609
3700.0000 -43.71335 -42.86210 0.85125 1.89382 -42.56534 587.78007
3705.0000 -43.97873 -42.68951 1.28922 1.84765 -42.89404 528.35715
3710.0000 -43.63799 -42.22713 1.41086 1.90786 -42.46533 606.20532
3715.0000 -42.86916 -41.13262 1.73654 2.01812 -41.68023 735.77138
3720.0000 -44.12383 -42.67131 1.45252 1.98741 -41.89892 681.66526
3725.0000 -43.92472 -42.15520 1.76952 1.93348 -42.28288 643.78192
3730.0000 -43.23005 -41.67114 1.55891 1.94667 -42.18902 667.52569
3735.0000 -43.35141 -41.49857 1.85285 2.04728 -41.47259 785.07007
3740.0000 -43.50281 -41.76999 1.73282 2.04667 -41.47697 760.01684
3745.0000 -42.87789 -41.03448 1.84341 2.06118 -41.37367 762.73891
3750.0000 -42.99925 -41.15093 1.84832 2.08542 -41.20104 786.22918
FREEZING PROCESS: loop number 16 T-loop= 664.00000000000000
main_MD> interactions number 16 at Temperature= 664.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76313 3.37478 -1.25140
force_rgl> df(natom) 0.97239 -3.45279 2.47878
3755.0000 -43.91105 -41.89314 2.01791 2.02899 -41.60284 667.69634
3760.0000 -43.63866 -41.44860 2.19006 1.98375 -41.92498 669.85510
3765.0000 -43.26981 -41.10450 2.16531 2.04797 -41.46769 729.19484
3770.0000 -43.78109 -41.75692 2.02416 2.02748 -41.61357 734.18113
3775.0000 -43.23244 -41.58272 1.64972 1.98092 -41.94513 716.76569
3780.0000 -43.32558 -41.59586 1.72972 2.03582 -41.55420 687.90097
3785.0000 -43.22239 -41.45843 1.76396 2.01527 -41.70054 720.15968
3790.0000 -42.81771 -40.86719 1.95052 2.07944 -41.24362 782.54171
3795.0000 -43.19296 -41.13787 2.05510 2.11932 -40.95966 811.83343
3800.0000 -44.40873 -42.96215 1.44659 1.95376 -42.13851 689.82287
3805.0000 -44.45397 -42.76260 1.69136 1.86907 -42.74153 628.76297
3810.0000 -43.94964 -42.65314 1.29650 1.92481 -42.34466 672.45535
3815.0000 -43.87941 -42.59928 1.28014 1.93295 -42.28670 705.95846
3820.0000 -43.75684 -42.07462 1.68222 1.95644 -42.11941 712.25487
3825.0000 -43.50148 -41.95044 1.55105 1.95234 -42.14860 631.10058
3830.0000 -44.06355 -42.29414 1.76941 1.94263 -42.21776 636.39445
3835.0000 -43.57941 -42.38371 1.19570 1.93203 -42.29326 595.56722
3840.0000 -43.17477 -41.95781 1.21696 1.95742 -42.11245 607.04917
3845.0000 -43.93175 -41.40305 2.52870 2.00014 -41.80826 647.98536
3850.0000 -43.80859 -41.87181 1.93678 1.98150 -41.94099 685.78478
3855.0000 -43.35496 -42.13540 1.21956 1.96266 -42.07517 685.07102
3860.0000 -43.48958 -42.13142 1.35815 1.94315 -42.21404 620.60818
3865.0000 -43.71968 -41.94472 1.77496 1.93190 -42.29414 612.93194
3870.0000 -43.39202 -41.93528 1.45674 1.99038 -41.87775 673.80762
3875.0000 -43.50674 -41.45612 2.05062 1.99935 -41.81391 712.45390
3880.0000 -43.07864 -41.67485 1.40379 1.99753 -41.82686 671.67714
3885.0000 -43.65993 -41.86497 1.79496 1.99557 -41.84078 706.65785
3890.0000 -44.18959 -42.39697 1.79262 1.98911 -41.88679 691.99402
3895.0000 -43.53850 -42.05311 1.48538 1.96724 -42.04256 640.95004
3900.0000 -43.58246 -41.64577 1.93669 2.01881 -41.67530 768.28027
3905.0000 -44.48103 -43.08282 1.39821 1.90050 -42.51778 608.66604
3910.0000 -44.33879 -42.84696 1.49183 1.86703 -42.75606 545.68442
3915.0000 -43.71050 -41.61578 2.09472 1.95212 -42.15019 644.73252
3920.0000 -43.70590 -42.37410 1.33181 1.97860 -41.96166 684.80215
3925.0000 -43.56242 -42.18382 1.37860 1.94381 -42.20938 645.14618
3930.0000 -43.87161 -42.57033 1.30129 1.92621 -42.33470 617.34586
3935.0000 -43.55547 -41.88702 1.66845 1.94941 -42.16947 645.55439
3940.0000 -42.99110 -41.11878 1.87233 1.99949 -41.81290 680.31729
3945.0000 -43.15162 -41.60251 1.54911 2.05072 -41.44811 744.36966
3950.0000 -43.40701 -41.95520 1.45181 1.98604 -41.90870 712.57615
3955.0000 -43.20607 -41.59351 1.61256 1.95404 -42.13652 630.29211
3960.0000 -43.67452 -41.34838 2.32614 2.00584 -41.76769 729.57811
3965.0000 -43.02048 -41.21816 1.80232 2.05150 -41.44257 724.98223
3970.0000 -43.79288 -42.04404 1.74884 2.01689 -41.68898 716.03312
3975.0000 -43.46755 -41.72698 1.74057 1.98225 -41.93565 708.64377
3980.0000 -43.65103 -41.77252 1.87850 2.03287 -41.57525 751.56867
3985.0000 -43.86513 -42.09488 1.77025 1.93102 -42.30041 613.23156
3990.0000 -43.69689 -41.85960 1.83729 1.95187 -42.15194 685.30778
3995.0000 -43.52812 -41.65460 1.87352 2.03719 -41.54444 818.02642
4000.0000 -43.89972 -41.93166 1.96807 2.00073 -41.80410 687.93790
FREEZING PROCESS: loop number 17 T-loop= 639.00000000000000
main_MD> interactions number 17 at Temperature= 639.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66984 0.88863 0.31732
force_rgl> df(natom) 2.01378 -0.10796 0.57296
4005.0000 -43.32783 -41.64153 1.68630 2.04300 -41.50309 737.56754
4010.0000 -43.53919 -41.41867 2.12052 2.05798 -41.39645 765.77789
4015.0000 -43.55539 -41.78017 1.77522 1.99907 -41.81588 715.14183
4020.0000 -43.55113 -41.42515 2.12598 1.97774 -41.96779 705.61937
4025.0000 -43.58726 -41.48016 2.10710 2.02472 -41.63325 728.74500
4030.0000 -44.04857 -42.67587 1.37270 1.93499 -42.27217 667.04615
4035.0000 -43.71649 -42.33489 1.38160 1.93503 -42.27185 627.50587
4040.0000 -43.91902 -42.00989 1.90913 1.95910 -42.10046 659.76037
4045.0000 -44.05218 -42.35505 1.69713 1.92145 -42.36858 636.37447
4050.0000 -43.68314 -42.05160 1.63154 1.96657 -42.04729 638.48982
4055.0000 -43.79821 -42.13251 1.66570 1.96358 -42.06861 673.60538
4060.0000 -44.06606 -42.03099 2.03507 1.97068 -42.01801 661.83411
4065.0000 -44.27654 -42.10952 2.16702 1.94571 -42.19583 668.58715
4070.0000 -43.04055 -41.69116 1.34938 1.95542 -42.12670 739.84314
4075.0000 -43.86557 -41.88789 1.97768 2.01326 -41.71486 723.87357
4080.0000 -44.01293 -42.58616 1.42677 1.90683 -42.47265 614.77591
4085.0000 -44.08112 -42.20014 1.88098 1.92701 -42.32895 612.62297
4090.0000 -44.22674 -42.77317 1.45357 1.85771 -42.82244 523.81402
4095.0000 -44.54723 -43.17621 1.37102 1.84101 -42.94130 533.06159
4100.0000 -44.00231 -42.30766 1.69466 1.89878 -42.52999 618.50565
4105.0000 -43.69352 -42.15905 1.53447 1.91369 -42.42384 605.32023
4110.0000 -43.58984 -42.30031 1.28952 1.97074 -42.01760 668.53742
4115.0000 -43.95502 -41.90710 2.04793 1.96584 -42.05247 675.68093
4120.0000 -43.11040 -41.81093 1.29947 1.94058 -42.23237 667.91388
4125.0000 -43.89592 -42.71495 1.18097 1.92266 -42.35999 638.23433
4130.0000 -43.30135 -41.91543 1.38592 1.94018 -42.23518 649.27161
4135.0000 -43.52355 -41.65326 1.87029 2.00265 -41.79043 695.18068
4140.0000 -44.19184 -42.76959 1.42225 1.91914 -42.38500 617.33640
4145.0000 -44.15312 -42.27261 1.88051 1.91471 -42.41658 609.67361
4150.0000 -43.30615 -41.88256 1.42359 2.00015 -41.80818 719.38702
4155.0000 -44.00696 -41.81795 2.18901 1.98650 -41.90540 677.34389
4160.0000 -43.64735 -42.06716 1.58019 1.98066 -41.94694 671.55078
4165.0000 -43.43616 -42.13563 1.30052 1.93943 -42.24053 619.45184
4170.0000 -43.52290 -41.73164 1.79127 2.00028 -41.80730 707.21529
4175.0000 -43.48072 -41.86974 1.61097 1.97008 -42.02228 684.61348
4180.0000 -43.69336 -42.20231 1.49106 2.00538 -41.77098 694.47939
4185.0000 -43.76654 -42.50991 1.25663 1.90943 -42.45415 581.10336
4190.0000 -43.93040 -42.33678 1.59362 1.89463 -42.55952 607.27552
4195.0000 -44.17075 -42.16327 2.00748 1.96389 -42.06638 679.37068
4200.0000 -43.76392 -41.87330 1.89062 2.01870 -41.67611 736.56972
4205.0000 -43.13513 -41.22672 1.90841 1.99289 -41.85993 665.13627
4210.0000 -43.56242 -41.84944 1.71298 2.02026 -41.66501 706.77886
4215.0000 -43.55178 -41.84527 1.70652 1.98661 -41.90457 671.48775
4220.0000 -43.13875 -42.02693 1.11182 1.99657 -41.83370 662.91815
4225.0000 -44.64915 -43.07046 1.57869 1.89080 -42.58684 574.97001
4230.0000 -44.08321 -42.65872 1.42449 1.88912 -42.59876 582.11172
4235.0000 -43.53174 -41.31957 2.21218 1.99662 -41.83333 700.35232
4240.0000 -43.02888 -40.48370 2.54518 2.07529 -41.27319 781.35527
4245.0000 -42.86219 -40.71740 2.14479 2.13878 -40.82107 892.83701
4250.0000 -43.49543 -42.25762 1.23780 1.98322 -41.92872 675.94250
FREEZING PROCESS: loop number 18 T-loop= 614.00000000000000
main_MD> interactions number 18 at Temperature= 614.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.62900 2.23115 1.23559
force_rgl> df(natom) 0.76485 0.90068 -1.95328
4255.0000 -43.82661 -42.67967 1.14694 1.88793 -42.60723 510.63986
4260.0000 -43.93023 -42.15557 1.77466 1.90639 -42.47580 571.16772
4265.0000 -43.93635 -42.80233 1.13402 1.89340 -42.56833 588.90677
4270.0000 -43.80940 -42.56054 1.24886 1.86709 -42.75564 522.18326
4275.0000 -44.19857 -43.21395 0.98462 1.87623 -42.69054 546.29356
4280.0000 -44.17779 -42.79088 1.38691 1.81537 -43.12388 481.09011
4285.0000 -43.78172 -41.65594 2.12579 1.97043 -42.01979 672.32183
4290.0000 -44.01228 -42.26610 1.74618 1.95051 -42.16164 666.47224
4295.0000 -43.80097 -42.18309 1.61789 1.91005 -42.44973 607.36583
4300.0000 -43.86808 -42.19819 1.66989 1.95380 -42.13826 668.76754
4305.0000 -44.05955 -42.55949 1.50007 1.86884 -42.74319 573.66954
4310.0000 -43.76422 -42.15491 1.60931 1.93020 -42.30625 624.63391
4315.0000 -43.32785 -41.79214 1.53571 1.92174 -42.36653 648.15488
4320.0000 -43.45426 -42.20293 1.25133 1.97903 -41.95861 673.00636
4325.0000 -44.17486 -42.25553 1.91933 1.92877 -42.31643 630.26504
4330.0000 -43.98833 -41.96009 2.02824 1.91750 -42.39670 598.99185
4335.0000 -43.93633 -42.70306 1.23327 1.95796 -42.10864 671.88361
4340.0000 -44.74676 -43.56632 1.18044 1.79992 -43.23393 542.55422
4345.0000 -44.64578 -43.71817 0.92761 1.76909 -43.45342 502.55011
4350.0000 -44.46390 -43.19076 1.27314 1.79092 -43.29802 512.70543
4355.0000 -44.57336 -43.12777 1.44559 1.77868 -43.38516 479.26534
4360.0000 -44.02301 -42.93899 1.08402 1.81650 -43.11582 559.12459
4365.0000 -44.17595 -42.77633 1.39961 1.86413 -42.77672 604.10297
4370.0000 -44.39616 -42.95576 1.44039 1.81688 -43.11314 466.36341
4375.0000 -44.02868 -42.62580 1.40288 1.85864 -42.81577 507.73373
4380.0000 -44.16718 -42.96142 1.20576 1.85634 -42.83216 544.75175
4385.0000 -44.41573 -43.14291 1.27282 1.83696 -42.97014 530.19039
4390.0000 -44.27625 -42.68737 1.58889 1.85347 -42.85260 529.99115
4395.0000 -43.95640 -42.56607 1.39034 1.88192 -42.65004 557.16365
4400.0000 -43.59839 -42.24223 1.35616 1.91367 -42.42396 556.43591
4405.0000 -43.42022 -42.34572 1.07450 1.94575 -42.19556 642.96610
4410.0000 -43.32047 -42.03003 1.29044 1.92095 -42.37212 623.48096
4415.0000 -43.68203 -42.64070 1.04133 1.90725 -42.46968 549.18557
4420.0000 -43.52046 -41.65677 1.86369 1.93083 -42.30181 664.43417
4425.0000 -43.57582 -41.91441 1.66141 1.98753 -41.89808 716.05045
4430.0000 -43.92859 -42.54952 1.37907 1.93300 -42.28635 613.72904
4435.0000 -43.55076 -42.29608 1.25467 1.90270 -42.50210 589.33923
4440.0000 -43.98371 -42.58003 1.40368 1.89306 -42.57075 562.32038
4445.0000 -43.65216 -42.58991 1.06225 1.90630 -42.47645 594.71607
4450.0000 -44.50069 -42.66048 1.84021 1.88912 -42.59874 556.32535
4455.0000 -43.45036 -42.06843 1.38193 1.91840 -42.39028 640.02116
4460.0000 -43.56169 -42.07436 1.48733 1.96364 -42.06818 659.09175
4465.0000 -43.77653 -41.82512 1.95141 1.97986 -41.95265 672.54080
4470.0000 -43.61075 -41.94763 1.66312 1.98789 -41.89549 713.20928
4475.0000 -43.57967 -41.98266 1.59701 1.96891 -42.03065 672.31012
4480.0000 -43.90723 -42.45180 1.45543 1.89724 -42.54096 608.22689
4485.0000 -43.84193 -41.75123 2.09070 1.91943 -42.38294 608.89234
4490.0000 -43.71569 -42.08238 1.63332 2.03280 -41.57570 748.10067
4495.0000 -44.24946 -42.91723 1.33223 1.91578 -42.40892 616.41678
4500.0000 -44.18269 -42.28153 1.90116 1.90596 -42.47884 595.97208
FREEZING PROCESS: loop number 19 T-loop= 589.00000000000000
main_MD> interactions number 19 at Temperature= 589.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.56272 2.75871 1.80998
force_rgl> df(natom) -0.45060 2.94883 -1.30084
4505.0000 -43.71583 -42.14587 1.56996 1.90485 -42.48680 591.49350
4510.0000 -43.63655 -42.46538 1.17117 1.94506 -42.20042 621.47468
4515.0000 -43.91274 -42.35750 1.55525 1.90927 -42.45530 571.39419
4520.0000 -44.29021 -42.65569 1.63452 1.90439 -42.49007 613.44743
4525.0000 -44.08629 -42.53200 1.55429 1.90574 -42.48041 622.44458
4530.0000 -43.53477 -41.65697 1.87781 2.00091 -41.80279 680.62833
4535.0000 -44.01213 -42.56398 1.44815 2.03277 -41.57595 739.91853
4540.0000 -43.93167 -42.24534 1.68633 1.89799 -42.53559 581.90198
4545.0000 -44.06904 -42.95152 1.11752 1.88757 -42.60982 552.95289
4550.0000 -44.02489 -42.81324 1.21165 1.86072 -42.80101 533.60193
4555.0000 -44.19586 -42.89189 1.30396 1.82070 -43.08596 471.04230
4560.0000 -43.57415 -42.85317 0.72098 1.83576 -42.97869 478.67496
4565.0000 -43.98759 -42.40609 1.58151 1.89367 -42.56640 577.77482
4570.0000 -44.46534 -42.60849 1.85685 1.91998 -42.37902 573.07539
4575.0000 -43.80049 -42.74886 1.05164 1.83347 -42.99503 502.35308
4580.0000 -44.39914 -43.21205 1.18709 1.86490 -42.77122 526.85815
4585.0000 -43.90364 -42.83934 1.06431 1.86386 -42.77866 544.25672
4590.0000 -44.06521 -42.98064 1.08457 1.86797 -42.74937 554.44864
4595.0000 -44.28273 -42.91702 1.36570 1.85161 -42.86584 512.92664
4600.0000 -44.36312 -43.09788 1.26523 1.80518 -43.19645 470.16169
4605.0000 -43.98846 -42.81231 1.17615 1.85803 -42.82013 516.89102
4610.0000 -43.91326 -42.74273 1.17053 1.85147 -42.86683 522.93420
4615.0000 -44.48702 -43.09125 1.39577 1.83178 -43.00708 488.53532
4620.0000 -44.08360 -42.79737 1.28623 1.84248 -42.93089 501.78696
4625.0000 -44.08521 -42.77043 1.31478 1.89116 -42.58425 541.53148
4630.0000 -43.54101 -42.36462 1.17639 1.90308 -42.49939 581.38570
4635.0000 -43.99040 -42.16276 1.82763 1.88894 -42.60009 580.30653
4640.0000 -44.22065 -42.67441 1.54624 1.90601 -42.47851 613.71522
4645.0000 -43.71042 -42.26571 1.44471 1.91345 -42.42556 585.32201
4650.0000 -44.38551 -42.51898 1.86653 1.92589 -42.33694 645.15880
4655.0000 -44.02554 -42.70291 1.32262 1.84619 -42.90446 521.31147
4660.0000 -43.88715 -42.17221 1.71494 1.93935 -42.24111 628.04175
4665.0000 -44.52741 -43.45278 1.07463 1.87129 -42.72576 564.42354
4670.0000 -44.43292 -42.93497 1.49795 1.80195 -43.21946 485.82906
4675.0000 -44.14856 -42.80532 1.34324 1.86079 -42.80047 555.82498
4680.0000 -44.52834 -43.40048 1.12786 1.85654 -42.83078 534.54787
4685.0000 -43.76409 -43.05412 0.70997 1.81059 -43.15796 475.36327
4690.0000 -44.51373 -43.59529 0.91844 1.77430 -43.41634 428.48223
4695.0000 -44.44363 -43.08108 1.36255 1.81420 -43.13226 501.87544
4700.0000 -44.01099 -42.52860 1.48239 1.84129 -42.93932 496.85471
4705.0000 -43.86277 -42.16702 1.69575 1.94376 -42.20975 681.40207
4710.0000 -43.69635 -42.19593 1.50042 1.93734 -42.25542 694.01993
4715.0000 -44.00002 -42.31315 1.68687 1.98925 -41.88583 665.60019
4720.0000 -43.67549 -42.25795 1.41753 1.95973 -42.09599 677.98857
4725.0000 -43.59399 -42.34991 1.24409 1.91772 -42.39514 580.43237
4730.0000 -44.18198 -42.50838 1.67359 1.88799 -42.60682 571.81439
4735.0000 -43.11505 -42.08981 1.02524 1.96339 -42.06998 678.54534
4740.0000 -43.88096 -42.24783 1.63313 1.96271 -42.07480 659.50276
4745.0000 -43.99453 -42.93486 1.05967 1.89975 -42.52311 577.85443
4750.0000 -44.31018 -43.18346 1.12673 1.82259 -43.07248 489.38679
FREEZING PROCESS: loop number 20 T-loop= 564.00000000000000
main_MD> interactions number 20 at Temperature= 564.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92262 -1.85819 -1.18185
force_rgl> df(natom) 0.26055 -2.70471 -1.17786
4755.0000 -44.31892 -42.46106 1.85786 1.90583 -42.47979 599.58275
4760.0000 -44.12696 -42.91943 1.20753 1.89248 -42.57488 550.29926
4765.0000 -44.52861 -42.56909 1.95952 1.91029 -42.44804 631.13039
4770.0000 -43.48482 -41.93550 1.54932 1.94054 -42.23265 645.06694
4775.0000 -44.03598 -42.52076 1.51523 1.95750 -42.11189 625.36130
4780.0000 -43.90118 -42.64216 1.25902 1.89883 -42.52963 576.05694
4785.0000 -44.18073 -42.22861 1.95212 1.89999 -42.52139 608.76810
4790.0000 -44.26733 -42.65361 1.61372 1.88623 -42.61938 564.97664
4795.0000 -43.35196 -41.99017 1.36179 1.95349 -42.14045 648.98612
4800.0000 -43.73301 -42.57731 1.15570 1.94685 -42.18768 619.87681
4805.0000 -43.83133 -42.17522 1.65611 1.97378 -41.99595 653.23937
4810.0000 -43.63052 -42.18013 1.45039 1.93342 -42.28335 671.83772
4815.0000 -44.15970 -42.88218 1.27752 1.90514 -42.48467 576.19340
4820.0000 -43.84826 -42.37981 1.46845 1.87724 -42.68338 553.00095
4825.0000 -44.12851 -42.76106 1.36745 1.90106 -42.51379 590.75272
4830.0000 -42.99175 -41.77480 1.21695 1.92413 -42.34946 616.70216
4835.0000 -44.26970 -42.28171 1.98798 1.98895 -41.88793 648.83826
4840.0000 -43.86523 -42.22532 1.63991 1.93288 -42.28720 671.05894
4845.0000 -44.15984 -42.76530 1.39454 1.88269 -42.64458 585.24292
4850.0000 -44.06672 -42.88827 1.17845 1.88984 -42.59366 580.53371
4855.0000 -43.74981 -42.42042 1.32939 1.89133 -42.58306 569.02934
4860.0000 -43.85211 -42.22661 1.62551 1.92983 -42.30890 630.22864
4865.0000 -43.85560 -42.42080 1.43480 1.92400 -42.35044 594.57350
4870.0000 -43.97526 -42.62782 1.34745 1.91111 -42.44220 579.17513
4875.0000 -43.84215 -42.22801 1.61413 1.87911 -42.67001 589.88604
4880.0000 -44.18390 -42.58061 1.60329 1.91543 -42.41142 614.06051
4885.0000 -43.73476 -42.51888 1.21588 1.89308 -42.57058 610.43444
4890.0000 -43.72554 -42.36686 1.35868 1.89293 -42.57167 560.68594
4895.0000 -44.20496 -42.57417 1.63079 1.91212 -42.43501 629.89681
4900.0000 -44.21416 -42.93479 1.27937 1.86782 -42.75044 588.96873
4905.0000 -44.07073 -41.97875 2.09198 1.89291 -42.57180 594.35862
4910.0000 -44.12364 -42.51745 1.60618 1.93721 -42.25638 678.35968
4915.0000 -44.23009 -42.28614 1.94396 1.93569 -42.26714 653.99943
4920.0000 -43.80425 -42.01125 1.79301 1.92545 -42.34012 622.39557
4925.0000 -43.83635 -42.57968 1.25667 1.92048 -42.37546 568.57639
4930.0000 -44.26027 -43.10722 1.15305 1.85498 -42.84187 530.64527
4935.0000 -44.20041 -42.85248 1.34793 1.84231 -42.93206 550.39223
4940.0000 -44.23075 -42.77763 1.45311 1.88151 -42.65294 574.22167
4945.0000 -43.99528 -42.71900 1.27628 1.85177 -42.86474 516.35752
4950.0000 -44.21147 -43.07653 1.13494 1.83839 -42.95999 560.43118
4955.0000 -44.58925 -42.89485 1.69440 1.81842 -43.10216 504.33490
4960.0000 -44.25337 -42.48627 1.76711 1.87426 -42.70456 549.22337
4965.0000 -44.13464 -42.62424 1.51040 1.88170 -42.65159 538.79398
4970.0000 -44.03870 -42.67991 1.35879 1.89146 -42.58212 575.05042
4975.0000 -43.91012 -42.56322 1.34690 1.87277 -42.71519 554.28241
4980.0000 -44.05894 -42.98238 1.07656 1.85980 -42.80755 544.99153
4985.0000 -44.08609 -42.61983 1.46626 1.87763 -42.68059 550.89701
4990.0000 -44.35514 -42.94694 1.40821 1.82853 -43.03021 518.17053
4995.0000 -43.93206 -42.44962 1.48244 1.87333 -42.71119 551.47419
5000.0000 -43.85667 -42.14970 1.70697 1.89981 -42.52263 561.51665
FREEZING PROCESS: loop number 21 T-loop= 539.00000000000000
main_MD> interactions number 21 at Temperature= 539.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22475 1.80932 0.66308
force_rgl> df(natom) -0.08533 -1.34390 1.76099
5005.0000 -43.93941 -42.54597 1.39344 1.94833 -42.17720 616.20460
5010.0000 -43.92288 -42.54028 1.38260 1.85451 -42.84524 552.72000
5015.0000 -44.20953 -42.78241 1.42713 1.85596 -42.83486 522.07529
5020.0000 -44.07401 -42.46497 1.60904 1.88776 -42.60844 624.51116
5025.0000 -44.38700 -42.63856 1.74844 1.88986 -42.59347 616.35795
5030.0000 -44.43475 -43.00706 1.42770 1.88669 -42.61608 641.96338
5035.0000 -44.43726 -42.98417 1.45309 1.81069 -43.15719 569.57516
5040.0000 -43.87079 -42.48527 1.38553 1.88081 -42.65793 562.37699
5045.0000 -44.05893 -43.01812 1.04081 1.83497 -42.98435 570.14506
5050.0000 -44.91382 -43.45776 1.45606 1.80308 -43.21139 553.71561
5055.0000 -44.73748 -43.71627 1.02121 1.73841 -43.67188 454.79271
5060.0000 -44.50852 -43.14502 1.36351 1.76946 -43.45082 492.74807
5065.0000 -44.69743 -43.71260 0.98483 1.73892 -43.66825 452.41164
5070.0000 -44.62012 -43.29713 1.32298 1.71347 -43.84946 424.53694
5075.0000 -44.97376 -44.04389 0.92987 1.75399 -43.56092 466.09617
5080.0000 -44.45095 -43.25201 1.19894 1.77940 -43.38005 508.44276
5085.0000 -44.39818 -43.38806 1.01012 1.78819 -43.31742 536.19001
5090.0000 -43.89707 -42.92483 0.97224 1.76123 -43.50943 499.54213
5095.0000 -43.72431 -42.33776 1.38655 1.87820 -42.67651 652.21160
5100.0000 -44.75066 -43.52460 1.22606 1.82125 -43.08206 543.83674
5105.0000 -44.86388 -43.24443 1.61946 1.76849 -43.45773 489.63620
5110.0000 -44.07466 -42.94611 1.12855 1.84620 -42.90438 617.95651
5115.0000 -44.21094 -42.49242 1.71852 1.87750 -42.68151 562.94088
5120.0000 -43.75090 -42.10252 1.64837 1.95619 -42.12120 651.28088
5125.0000 -44.23046 -42.52575 1.70471 1.94150 -42.22579 612.49088
5130.0000 -44.00038 -42.76326 1.23712 1.92444 -42.34726 621.25675
5135.0000 -44.31217 -43.14009 1.17208 1.84626 -42.90393 520.05895
5140.0000 -44.31012 -42.74312 1.56700 1.83619 -42.97563 522.94188
5145.0000 -44.19033 -42.65661 1.53372 1.88421 -42.63372 589.22789
5150.0000 -43.80623 -42.25324 1.55299 1.87029 -42.73284 582.57513
5155.0000 -44.11123 -42.60730 1.50392 1.92646 -42.33293 624.14935
5160.0000 -43.95543 -42.41800 1.53743 1.88538 -42.62542 593.21965
5165.0000 -44.39977 -42.60612 1.79365 1.87324 -42.71185 557.30688
5170.0000 -44.57578 -43.20185 1.37392 1.83750 -42.96630 507.48380
5175.0000 -43.57037 -42.28698 1.28339 1.90499 -42.48578 612.36493
5180.0000 -43.82008 -42.39709 1.42298 1.90560 -42.48140 597.53693
5185.0000 -43.88584 -42.00321 1.88263 1.95021 -42.16377 641.74600
5190.0000 -43.79881 -42.53078 1.26803 1.93305 -42.28601 631.12215
5195.0000 -44.07964 -42.64210 1.43754 1.92693 -42.32956 614.12345
5200.0000 -43.42194 -42.25437 1.16757 1.90608 -42.47802 617.74054
5205.0000 -44.06322 -42.52139 1.54183 1.94065 -42.23187 653.59129
5210.0000 -44.04925 -42.73436 1.31489 1.89668 -42.54498 586.64933
5215.0000 -44.07458 -42.58796 1.48662 1.89775 -42.53731 589.34545
5220.0000 -44.31312 -42.65913 1.65400 1.88481 -42.62946 575.45745
5225.0000 -44.00885 -42.64624 1.36261 1.89383 -42.56521 540.83955
5230.0000 -43.26796 -41.64129 1.62667 1.95973 -42.09603 648.18103
5235.0000 -43.89919 -42.43278 1.46641 2.00058 -41.80514 674.47511
5240.0000 -44.36813 -43.36686 1.00127 1.87669 -42.68724 566.16790
5245.0000 -44.31932 -43.18471 1.13461 1.77708 -43.39657 463.13949
5250.0000 -44.24438 -43.13586 1.10852 1.80937 -43.16663 485.65269
FREEZING PROCESS: loop number 22 T-loop= 514.00000000000000
main_MD> interactions number 22 at Temperature= 514.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75866 -2.66483 -0.76978
force_rgl> df(natom) 2.24274 -0.23098 -0.23080
5255.0000 -44.18218 -42.81316 1.36902 1.82935 -43.02437 515.18220
5260.0000 -44.33462 -43.05949 1.27513 1.82855 -43.03008 519.46577
5265.0000 -44.15812 -42.57558 1.58253 1.84652 -42.90208 523.57805
5270.0000 -44.15767 -42.59318 1.56449 1.87355 -42.70961 548.06762
5275.0000 -44.37741 -43.06855 1.30886 1.83754 -42.96603 503.88543
5280.0000 -44.71159 -43.58279 1.12880 1.81777 -43.10678 444.30506
5285.0000 -44.16262 -43.27283 0.88978 1.81865 -43.10052 487.78954
5290.0000 -44.61361 -43.18224 1.43137 1.78729 -43.32382 449.81287
5295.0000 -43.88298 -43.28547 0.59751 1.81628 -43.11742 460.97387
5300.0000 -44.30133 -43.14273 1.15860 1.79553 -43.26516 431.57460
5305.0000 -44.31900 -43.16054 1.15846 1.81627 -43.11752 467.90547
5310.0000 -44.23712 -43.10694 1.13019 1.83207 -43.00497 497.27245
5315.0000 -44.57762 -42.87492 1.70271 1.83653 -42.97320 562.06932
5320.0000 -44.72324 -43.30681 1.41643 1.77076 -43.44152 500.82596
5325.0000 -44.54825 -43.36414 1.18411 1.79254 -43.28644 528.66296
5330.0000 -45.25688 -44.08860 1.16827 1.75361 -43.56364 484.12110
5335.0000 -44.92023 -43.70648 1.21375 1.69960 -43.94821 416.34234
5340.0000 -44.34706 -43.18380 1.16326 1.77451 -43.41486 501.95020
5345.0000 -44.67185 -43.30003 1.37182 1.81497 -43.12674 561.64875
5350.0000 -44.61849 -43.28720 1.33129 1.79322 -43.28161 555.08345
5355.0000 -44.72683 -43.67063 1.05620 1.72743 -43.75004 448.12341
5360.0000 -44.93035 -43.18096 1.74939 1.77186 -43.43367 498.47019
5365.0000 -44.66902 -43.09904 1.56999 1.86026 -42.80424 616.40105
5370.0000 -44.36317 -43.33819 1.02498 1.81410 -43.13292 555.50710
5375.0000 -44.93490 -43.45382 1.48108 1.78929 -43.30963 526.99967
5380.0000 -44.40971 -42.83407 1.57563 1.82792 -43.03452 565.56368
5385.0000 -44.84831 -43.78957 1.05874 1.77023 -43.44529 517.95193
5390.0000 -45.17365 -44.04374 1.12991 1.71024 -43.87243 423.09000
5395.0000 -44.69885 -43.41431 1.28455 1.75216 -43.57399 472.18792
5400.0000 -44.72112 -43.74472 0.97641 1.74900 -43.59648 466.73897
5405.0000 -44.88223 -43.83913 1.04309 1.72628 -43.75825 440.03018
5410.0000 -44.44497 -43.50444 0.94053 1.71743 -43.82125 424.87038
5415.0000 -44.68405 -43.15391 1.53014 1.81184 -43.14905 539.70876
5420.0000 -44.95712 -42.95340 2.00372 1.82280 -43.07099 551.77319
5425.0000 -44.52918 -43.34118 1.18799 1.83570 -42.97916 578.25911
5430.0000 -43.94470 -43.10512 0.83958 1.86168 -42.79414 606.13534
5435.0000 -44.74789 -43.53472 1.21317 1.80291 -43.21260 529.42907
5440.0000 -44.57771 -43.31518 1.26252 1.76127 -43.50912 477.46123
5445.0000 -44.33602 -43.08007 1.25595 1.77174 -43.43453 514.07695
5450.0000 -44.34394 -43.34920 0.99474 1.77849 -43.38653 505.64663
5455.0000 -44.80080 -43.67325 1.12755 1.76505 -43.48219 499.89259
5460.0000 -45.02101 -43.92494 1.09607 1.73481 -43.69751 446.06518
5465.0000 -44.97716 -43.95276 1.02440 1.73163 -43.72012 460.08052
5470.0000 -44.54677 -43.46062 1.08616 1.70047 -43.94204 406.41197
5475.0000 -44.68781 -43.06340 1.62442 1.80083 -43.22740 539.51937
5480.0000 -44.56880 -43.38245 1.18636 1.77318 -43.42433 498.46624
5485.0000 -44.49883 -43.17567 1.32316 1.79514 -43.26792 485.39108
5490.0000 -44.17666 -43.01278 1.16388 1.81695 -43.11264 494.39929
5495.0000 -44.09705 -42.94898 1.14807 1.82720 -43.03970 489.17551
5500.0000 -44.25640 -42.64139 1.61501 1.83631 -42.97478 485.69054
FREEZING PROCESS: loop number 23 T-loop= 489.00000000000000
main_MD> interactions number 23 at Temperature= 489.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.69490 -0.78673 0.42753
force_rgl> df(natom) 0.65869 2.74617 -0.00374
5505.0000 -44.10602 -42.78418 1.32184 1.89564 -42.55238 562.59126
5510.0000 -44.19324 -43.15758 1.03566 1.86982 -42.73621 561.87406
5515.0000 -43.79765 -42.22549 1.57216 1.85441 -42.84595 531.58080
5520.0000 -44.07164 -42.66889 1.40275 1.89872 -42.53040 571.87889
5525.0000 -44.17659 -42.97960 1.19699 1.84271 -42.92923 477.11546
5530.0000 -44.05347 -43.04321 1.01027 1.84930 -42.88231 513.53787
5535.0000 -44.56838 -43.41499 1.15338 1.80830 -43.17425 462.33643
5540.0000 -44.38826 -43.07546 1.31281 1.80373 -43.20675 472.21389
5545.0000 -44.58363 -43.44505 1.13858 1.76945 -43.45087 420.91142
5550.0000 -44.40250 -43.56688 0.83562 1.76199 -43.50401 417.84059
5555.0000 -44.04821 -42.60950 1.43871 1.83777 -42.96439 515.76173
5560.0000 -44.37861 -43.13818 1.24043 1.86832 -42.74687 535.83955
5565.0000 -44.21678 -42.69737 1.51942 1.82366 -43.06484 498.79848
5570.0000 -44.71116 -43.22577 1.48538 1.81580 -43.12084 489.60542
5575.0000 -44.31546 -42.69421 1.62125 1.81786 -43.10615 502.01083
5580.0000 -44.53717 -43.35203 1.18514 1.83659 -42.97283 533.26333
5585.0000 -44.79293 -43.69879 1.09414 1.75459 -43.55668 423.84404
5590.0000 -44.28720 -42.95006 1.33714 1.81630 -43.11724 489.55589
5595.0000 -44.18215 -43.13093 1.05122 1.81460 -43.12940 504.42021
5600.0000 -44.33893 -43.09236 1.24657 1.81572 -43.12140 488.03896
5605.0000 -44.29496 -43.19979 1.09517 1.78391 -43.34793 438.48853
5610.0000 -44.59705 -43.10850 1.48855 1.80198 -43.21923 474.56659
5615.0000 -43.98109 -42.67098 1.31011 1.84530 -42.91081 505.87656
5620.0000 -44.28301 -42.70602 1.57699 1.85919 -42.81190 528.47002
5625.0000 -44.08606 -42.70353 1.38253 1.83218 -43.00423 513.72553
5630.0000 -44.26477 -42.41187 1.85290 1.89510 -42.55621 597.46502
5635.0000 -44.21595 -42.88193 1.33402 1.88723 -42.61220 564.52275
5640.0000 -44.25598 -42.68933 1.56664 1.85993 -42.80659 516.28242
5645.0000 -44.59534 -43.18888 1.40646 1.85662 -42.83021 514.68035
5650.0000 -43.97569 -42.75941 1.21629 1.85084 -42.87137 539.94002
5655.0000 -43.74692 -42.41968 1.32724 1.89563 -42.55241 574.12546
5660.0000 -44.26265 -42.76111 1.50154 1.88314 -42.64137 561.09030
5665.0000 -44.40661 -42.95586 1.45075 1.84479 -42.91440 516.70217
5670.0000 -43.78873 -43.05270 0.73603 1.81967 -43.09328 475.06428
5675.0000 -44.56205 -43.27105 1.29100 1.80148 -43.22280 459.04496
5680.0000 -44.63450 -43.73405 0.90045 1.75803 -43.53216 392.68263
5685.0000 -44.59582 -43.18871 1.40711 1.76871 -43.45610 452.07937
5690.0000 -44.36080 -43.04917 1.31164 1.81758 -43.10815 462.51081
5695.0000 -44.67456 -43.53125 1.14331 1.81503 -43.12635 460.71390
5700.0000 -44.07405 -43.06148 1.01257 1.79206 -43.28986 458.38501
5705.0000 -44.73571 -43.72044 1.01527 1.79507 -43.26842 454.41926
5710.0000 -44.47441 -43.22949 1.24493 1.75501 -43.55368 402.86857
5715.0000 -44.42742 -43.63618 0.79124 1.78014 -43.37476 439.22668
5720.0000 -44.40996 -43.46575 0.94420 1.76260 -43.49965 425.45555
5725.0000 -44.01319 -43.02406 0.98914 1.77201 -43.43262 437.99665
5730.0000 -44.44038 -43.15694 1.28344 1.80132 -43.22391 466.40159
5735.0000 -44.34393 -42.80699 1.53694 1.82057 -43.08689 488.40218
5740.0000 -44.28573 -43.06502 1.22071 1.84754 -42.89483 523.40491
5745.0000 -44.45486 -43.24982 1.20504 1.80222 -43.21751 467.98229
5750.0000 -44.17594 -43.03103 1.14491 1.80773 -43.17828 501.83677
FREEZING PROCESS: loop number 24 T-loop= 464.00000000000000
main_MD> interactions number 24 at Temperature= 464.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.98865 2.59003 1.52654
force_rgl> df(natom) 0.59592 -0.07696 3.06638
5755.0000 -44.34988 -43.35596 0.99392 1.77487 -43.41231 427.77369
5760.0000 -44.46200 -43.46503 0.99697 1.79240 -43.28747 444.91351
5765.0000 -44.99620 -43.61618 1.38002 1.81649 -43.11593 483.82379
5770.0000 -45.12179 -43.45125 1.67054 1.72288 -43.78248 449.89698
5775.0000 -44.47626 -43.27655 1.19971 1.77655 -43.40031 513.08466
5780.0000 -44.63020 -43.44867 1.18153 1.78491 -43.34080 537.86118
5785.0000 -44.88610 -43.79329 1.09282 1.74047 -43.65723 452.87951
5790.0000 -44.86037 -43.69312 1.16726 1.71586 -43.83243 415.89546
5795.0000 -44.84347 -43.82603 1.01744 1.71661 -43.82711 432.58668
5800.0000 -44.88283 -43.77212 1.11071 1.73206 -43.71711 460.54699
5805.0000 -44.40995 -43.29939 1.11056 1.75357 -43.56391 473.93272
5810.0000 -44.86259 -43.73337 1.12923 1.73547 -43.69281 455.12934
5815.0000 -44.91699 -43.72786 1.18913 1.71603 -43.83122 433.77419
5820.0000 -45.00491 -43.62266 1.38225 1.74533 -43.62263 468.99247
5825.0000 -44.96947 -43.98648 0.98298 1.73844 -43.67166 453.82251
5830.0000 -44.92492 -43.98331 0.94161 1.72013 -43.80202 442.24197
5835.0000 -45.13422 -44.10706 1.02715 1.68152 -44.07699 379.22809
5840.0000 -45.08776 -44.40728 0.68048 1.65308 -44.27948 329.97047
5845.0000 -45.15119 -44.07365 1.07754 1.67360 -44.13336 362.99694
5850.0000 -44.92942 -43.45339 1.47603 1.72281 -43.78296 462.63459
5855.0000 -44.66087 -43.63214 1.02872 1.72783 -43.74723 446.64256
5860.0000 -44.90543 -43.94864 0.95679 1.72158 -43.79175 433.67900
5865.0000 -44.76460 -44.04026 0.72435 1.68988 -44.01746 384.36618
5870.0000 -44.96191 -44.06541 0.89650 1.71278 -43.85441 418.34061
5875.0000 -45.16030 -44.10875 1.05155 1.71291 -43.85346 425.96849
5880.0000 -44.96000 -43.56909 1.39091 1.72628 -43.75829 441.81350
5885.0000 -45.13294 -44.14974 0.98320 1.73016 -43.73063 445.19559
5890.0000 -45.08131 -43.76564 1.31567 1.72106 -43.79540 439.45344
5895.0000 -44.70488 -43.45733 1.24755 1.73239 -43.71473 439.77232
5900.0000 -44.98811 -44.04078 0.94733 1.73271 -43.71248 444.49840
5905.0000 -45.03104 -44.15326 0.87778 1.68577 -44.04670 384.10030
5910.0000 -44.52246 -43.53346 0.98899 1.70183 -43.93234 395.18981
5915.0000 -44.39884 -43.26306 1.13579 1.77378 -43.42003 492.33669
5920.0000 -44.59028 -43.31593 1.27435 1.80866 -43.17170 548.99486
5925.0000 -44.76482 -43.30910 1.45573 1.82107 -43.08334 570.57410
5930.0000 -44.85527 -43.23730 1.61797 1.76669 -43.47050 496.26974
5935.0000 -45.03819 -43.87489 1.16329 1.75283 -43.56922 472.72183
5940.0000 -45.22839 -44.21951 1.00887 1.67648 -44.11287 379.55807
5945.0000 -45.04435 -43.70605 1.33829 1.68305 -44.06605 386.52771
5950.0000 -44.57016 -43.64596 0.92420 1.75375 -43.56269 470.90809
5955.0000 -44.63861 -43.45386 1.18474 1.77450 -43.41490 514.50348
5960.0000 -44.86806 -43.74246 1.12560 1.77015 -43.44591 508.48213
5965.0000 -44.85099 -43.61621 1.23479 1.74326 -43.63734 466.84080
5970.0000 -45.02002 -43.89316 1.12687 1.72723 -43.75148 458.36509
5975.0000 -44.57831 -43.66722 0.91109 1.75125 -43.58042 474.97521
5980.0000 -44.96213 -43.79674 1.16539 1.74437 -43.62944 460.71059
5985.0000 -44.73208 -43.54128 1.19080 1.75107 -43.58175 466.51837
5990.0000 -44.16485 -42.85461 1.31024 1.79156 -43.29347 527.26092
5995.0000 -44.34880 -43.06750 1.28130 1.82991 -43.02034 565.35363
6000.0000 -44.61778 -43.38051 1.23727 1.82319 -43.06820 541.44550
FREEZING PROCESS: loop number 25 T-loop= 439.00000000000000
main_MD> interactions number 25 at Temperature= 439.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05182 -2.63015 0.16997
force_rgl> df(natom) -1.12214 2.76032 0.95777
6005.0000 -44.47771 -43.45504 1.02268 1.74049 -43.65706 452.47837
6010.0000 -44.81666 -43.67260 1.14406 1.75273 -43.56995 484.00759
6015.0000 -44.99598 -43.85171 1.14427 1.72566 -43.76267 437.74844
6020.0000 -44.51773 -43.49054 1.02718 1.74605 -43.61749 460.57441
6025.0000 -44.88604 -43.97108 0.91496 1.70859 -43.88419 425.06603
6030.0000 -44.79414 -43.88754 0.90659 1.67963 -44.09044 388.32415
6035.0000 -44.84111 -43.48908 1.35203 1.74713 -43.60979 459.10715
6040.0000 -44.71642 -43.58551 1.13091 1.72992 -43.73231 448.51942
6045.0000 -44.53530 -43.36754 1.16776 1.78600 -43.33302 514.69451
6050.0000 -44.93923 -43.67671 1.26252 1.77566 -43.40667 503.78581
6055.0000 -45.07321 -43.93026 1.14295 1.71433 -43.84336 432.07447
6060.0000 -44.69913 -43.76007 0.93905 1.70414 -43.91587 422.76984
6065.0000 -45.09533 -44.36316 0.73217 1.68991 -44.01721 391.85047
6070.0000 -44.72798 -43.81057 0.91741 1.66968 -44.16128 361.02399
6075.0000 -44.57349 -43.58743 0.98607 1.73835 -43.67231 449.26490
6080.0000 -44.65998 -43.49248 1.16750 1.76841 -43.45827 495.42648
6085.0000 -44.68191 -43.68397 0.99794 1.75621 -43.54514 482.57672
6090.0000 -44.79789 -43.76591 1.03198 1.75207 -43.57462 471.40086
6095.0000 -44.69460 -43.36040 1.33420 1.74289 -43.63998 453.37997
6100.0000 -44.65151 -43.36385 1.28766 1.78608 -43.33247 525.18538
6105.0000 -44.76180 -43.62311 1.13869 1.75034 -43.58690 472.32969
6110.0000 -44.71620 -43.89045 0.82576 1.73546 -43.69292 466.20951
6115.0000 -45.16395 -44.19207 0.97188 1.67978 -44.08935 377.53325
6120.0000 -44.87797 -43.95549 0.92248 1.69853 -43.95588 395.22030
6125.0000 -45.22072 -44.00534 1.21538 1.71358 -43.84870 430.57483
6130.0000 -44.49925 -43.51210 0.98715 1.73499 -43.69622 443.82602
6135.0000 -44.95760 -43.77138 1.18623 1.71173 -43.86185 424.13588
6140.0000 -45.00652 -43.80935 1.19717 1.70695 -43.89592 432.45384
6145.0000 -44.74593 -43.75265 0.99328 1.71478 -43.84012 422.98503
6150.0000 -44.68845 -43.75943 0.92901 1.73343 -43.70737 460.85110
6155.0000 -45.21346 -44.22201 0.99145 1.70161 -43.93394 411.22981
6160.0000 -45.07568 -44.20820 0.86749 1.66854 -44.16938 379.27400
6165.0000 -44.65748 -43.93196 0.72552 1.65541 -44.26285 353.05797
6170.0000 -44.82390 -43.69611 1.12779 1.71748 -43.82089 438.80301
6175.0000 -44.68229 -43.67856 1.00373 1.77904 -43.38256 521.33620
6180.0000 -44.76108 -43.34323 1.41785 1.77173 -43.43465 493.12560
6185.0000 -44.37194 -43.17022 1.20172 1.80957 -43.16519 541.42707
6190.0000 -44.78280 -43.80755 0.97524 1.78860 -43.31448 526.33300
6195.0000 -44.80933 -43.81057 0.99876 1.75369 -43.56309 478.31120
6200.0000 -44.77540 -43.81675 0.95865 1.72892 -43.73945 437.06338
6205.0000 -44.72628 -43.46823 1.25805 1.73459 -43.69906 451.44564
6210.0000 -45.10425 -44.19022 0.91404 1.74554 -43.62113 486.29363
6215.0000 -45.24394 -44.50028 0.74366 1.66092 -44.22364 347.61652
6220.0000 -45.02442 -44.03556 0.98886 1.66888 -44.16698 364.33088
6225.0000 -44.89567 -43.92343 0.97224 1.70674 -43.89738 415.32893
6230.0000 -45.02175 -44.04788 0.97387 1.70818 -43.88715 415.76230
6235.0000 -44.85390 -43.95373 0.90017 1.70264 -43.92656 420.59343
6240.0000 -44.79330 -43.84354 0.94976 1.70620 -43.90125 404.50521
6245.0000 -44.79683 -43.72218 1.07465 1.73618 -43.68773 469.07156
6250.0000 -44.60785 -43.59834 1.00951 1.74140 -43.65059 451.24143
FREEZING PROCESS: loop number 26 T-loop= 414.00000000000000
main_MD> interactions number 26 at Temperature= 414.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84080 3.23880 -1.54594
force_rgl> df(natom) -0.36659 -0.55552 -1.62801
6255.0000 -45.22329 -44.08203 1.14127 1.71861 -43.81288 420.65927
6260.0000 -44.99908 -43.89738 1.10170 1.69325 -43.99344 398.15377
6265.0000 -45.05539 -43.77843 1.27696 1.71387 -43.84659 416.52530
6270.0000 -44.98475 -43.72780 1.25695 1.74216 -43.64521 464.00925
6275.0000 -45.08890 -44.23510 0.85379 1.70751 -43.89193 423.55245
6280.0000 -44.93756 -44.22479 0.71277 1.67802 -44.10187 377.21601
6285.0000 -45.05006 -43.98544 1.06462 1.68400 -44.05927 389.15896
6290.0000 -44.55265 -43.59179 0.96086 1.71599 -43.83150 432.59400
6295.0000 -44.63352 -43.37741 1.25611 1.78094 -43.36904 538.78705
6300.0000 -44.87189 -43.70236 1.16953 1.73093 -43.72512 455.16461
6305.0000 -44.80127 -43.39857 1.40270 1.75252 -43.57141 491.01525
6310.0000 -44.73953 -43.57351 1.16602 1.75610 -43.54593 481.99539
6315.0000 -44.74928 -43.86240 0.88687 1.74806 -43.60320 471.33162
6320.0000 -44.74402 -43.56014 1.18388 1.73420 -43.70187 465.83166
6325.0000 -44.86158 -43.87261 0.98897 1.76221 -43.50240 480.38372
6330.0000 -44.85847 -43.60822 1.25025 1.70603 -43.90244 419.59881
6335.0000 -45.00585 -43.99552 1.01034 1.75361 -43.56367 465.32200
6340.0000 -44.77662 -43.77133 1.00529 1.70927 -43.87940 432.22229
6345.0000 -44.90463 -43.94543 0.95920 1.71536 -43.83599 435.95243
6350.0000 -44.60719 -43.49002 1.11717 1.75544 -43.55063 479.61482
6355.0000 -44.86988 -43.79271 1.07718 1.73222 -43.71599 462.50031
6360.0000 -45.02552 -43.85260 1.17291 1.70468 -43.91207 418.56639
6365.0000 -45.06485 -44.24546 0.81939 1.69022 -44.01501 404.72173
6370.0000 -45.07539 -43.97661 1.09878 1.68168 -44.07584 392.09621
6375.0000 -45.00224 -43.99848 1.00376 1.68380 -44.06075 384.89350
6380.0000 -45.24566 -44.13602 1.10964 1.68897 -44.02394 387.58966
6385.0000 -44.79209 -43.58274 1.20935 1.72361 -43.77728 429.11473
6390.0000 -45.14081 -44.15848 0.98233 1.71383 -43.84693 422.84698
6395.0000 -45.13349 -44.09390 1.03959 1.66327 -44.20691 353.91732
6400.0000 -44.97389 -43.90588 1.06801 1.71562 -43.83413 425.21314
6405.0000 -45.01967 -44.08851 0.93115 1.71741 -43.82141 431.02787
6410.0000 -45.07552 -44.04755 1.02797 1.69638 -43.97114 408.42777
6415.0000 -44.83113 -43.92974 0.90140 1.68509 -44.05154 385.41327
6420.0000 -44.53764 -43.62807 0.90957 1.71229 -43.85790 409.22906
6425.0000 -45.09065 -44.23532 0.85533 1.69793 -43.96013 395.26625
6430.0000 -44.98856 -43.80631 1.18225 1.68846 -44.02757 382.53094
6435.0000 -45.02667 -43.85819 1.16848 1.72844 -43.74284 441.35660
6440.0000 -44.70938 -43.52096 1.18843 1.73835 -43.67233 448.93444
6445.0000 -44.92386 -43.36839 1.55547 1.74893 -43.59701 487.68737
6450.0000 -44.87658 -43.85285 1.02373 1.73333 -43.70803 449.47490
6455.0000 -44.89132 -43.62362 1.26770 1.74010 -43.65985 455.75044
6460.0000 -44.85941 -43.71132 1.14809 1.72810 -43.74531 433.81310
6465.0000 -44.91347 -43.83385 1.07961 1.71492 -43.83915 426.10463
6470.0000 -44.96747 -44.22122 0.74625 1.67241 -44.14184 369.88618
6475.0000 -45.24928 -44.20353 1.04575 1.68390 -44.06001 384.00054
6480.0000 -44.73223 -43.88379 0.84845 1.69009 -44.01594 388.30536
6485.0000 -44.76073 -43.83419 0.92654 1.69128 -44.00745 386.77947
6490.0000 -45.06100 -43.93310 1.12789 1.72074 -43.79772 432.42896
6495.0000 -45.16737 -43.92550 1.24187 1.68210 -44.07281 387.06475
6500.0000 -45.06510 -43.63356 1.43154 1.70021 -43.94390 406.53629
FREEZING PROCESS: loop number 27 T-loop= 389.00000000000000
main_MD> interactions number 27 at Temperature= 389.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19896 -0.31517 -1.00827
force_rgl> df(natom) -1.33348 -0.11092 -0.08316
6505.0000 -44.89739 -44.02896 0.86843 1.71084 -43.86821 425.43422
6510.0000 -44.92921 -44.07541 0.85380 1.70532 -43.90748 418.30641
6515.0000 -45.04905 -44.00211 1.04693 1.68536 -44.04961 394.53981
6520.0000 -44.45576 -43.33643 1.11933 1.70590 -43.90338 428.88617
6525.0000 -45.19113 -44.34964 0.84149 1.69115 -44.00841 391.15883
6530.0000 -45.19290 -44.39196 0.80094 1.63570 -44.40319 328.94733
6535.0000 -44.90013 -43.68364 1.21648 1.72479 -43.76883 431.85869
6540.0000 -44.76499 -43.82602 0.93897 1.72936 -43.73630 436.35407
6545.0000 -45.26276 -44.49112 0.77164 1.67107 -44.15136 372.22797
6550.0000 -44.87737 -44.11066 0.76671 1.64201 -44.35830 326.92547
6555.0000 -44.96998 -44.20062 0.76935 1.68052 -44.08409 369.66370
6560.0000 -45.19419 -44.25754 0.93665 1.64109 -44.36482 318.27313
6565.0000 -44.91901 -43.90025 1.01875 1.69304 -43.99497 418.73470
6570.0000 -44.73577 -43.79557 0.94019 1.66852 -44.16949 368.73513
6575.0000 -44.74163 -43.36621 1.37542 1.74353 -43.63542 486.67624
6580.0000 -44.58090 -43.50549 1.07542 1.78283 -43.35561 511.33557
6585.0000 -44.96286 -44.03408 0.92878 1.74107 -43.65296 473.54165
6590.0000 -44.99343 -44.04372 0.94971 1.67231 -44.14251 377.62514
6595.0000 -44.84806 -43.84289 1.00518 1.68923 -44.02206 396.23818
6600.0000 -44.91857 -43.90992 1.00866 1.70656 -43.89868 411.42878
6605.0000 -44.76934 -43.94751 0.82183 1.70233 -43.92876 409.74454
6610.0000 -45.10626 -43.93974 1.16652 1.69424 -43.98641 395.18557
6615.0000 -44.90837 -43.88156 1.02681 1.72872 -43.74089 438.19741
6620.0000 -44.88530 -43.63392 1.25138 1.72058 -43.79885 429.29511
6625.0000 -45.02540 -44.06217 0.96322 1.72293 -43.78207 426.17703
6630.0000 -45.31075 -44.32777 0.98298 1.68271 -44.06846 376.59383
6635.0000 -45.03655 -43.86688 1.16967 1.67913 -44.09400 389.64880
6640.0000 -44.99839 -43.79215 1.20624 1.68710 -44.03723 394.73909
6645.0000 -45.06186 -44.11663 0.94524 1.72821 -43.74454 446.81145
6650.0000 -45.26029 -44.38074 0.87956 1.65888 -44.23816 343.63006
6655.0000 -44.96041 -44.02783 0.93258 1.65015 -44.30033 330.73738
6660.0000 -45.03184 -43.86585 1.16599 1.70133 -43.93591 410.82078
6665.0000 -45.03804 -44.32943 0.70861 1.66809 -44.17260 359.35896
6670.0000 -45.28653 -44.46332 0.82321 1.65834 -44.24201 344.53936
6675.0000 -44.94467 -44.22499 0.71968 1.68055 -44.08387 388.14004
6680.0000 -45.26972 -44.26829 1.00143 1.66491 -44.19524 359.49700
6685.0000 -45.14941 -44.64521 0.50419 1.63311 -44.42168 313.82683
6690.0000 -45.02224 -44.39275 0.62948 1.59764 -44.67424 262.67587
6695.0000 -45.07033 -44.29051 0.77982 1.65128 -44.29227 336.13044
6700.0000 -44.94494 -44.28020 0.66474 1.65819 -44.24311 347.09491
6705.0000 -44.83427 -43.67179 1.16248 1.71555 -43.83466 423.71222
6710.0000 -44.80446 -43.99854 0.80592 1.72038 -43.80029 441.03658
6715.0000 -45.02817 -44.34775 0.68042 1.64249 -44.35485 324.66220
6720.0000 -45.05722 -44.17904 0.87818 1.66044 -44.22706 347.52872
6725.0000 -45.04102 -43.90702 1.13400 1.68628 -44.04303 396.60685
6730.0000 -44.98672 -44.23074 0.75598 1.66680 -44.18179 366.09912
6735.0000 -45.07014 -44.23032 0.83982 1.65993 -44.23070 350.74611
6740.0000 -44.79816 -43.75851 1.03966 1.69124 -44.00777 406.12347
6745.0000 -44.69322 -43.83413 0.85909 1.70696 -43.89580 408.08860
6750.0000 -44.81484 -43.82770 0.98714 1.70863 -43.88395 413.28087
FREEZING PROCESS: loop number 28 T-loop= 364.00000000000000
main_MD> interactions number 28 at Temperature= 364.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68293 -0.48703 -1.01554
force_rgl> df(natom) 1.79117 -1.19401 0.81993
6755.0000 -45.03422 -44.34394 0.69028 1.71588 -43.83227 423.45360
6760.0000 -44.93758 -44.20437 0.73320 1.66765 -44.17569 358.96880
6765.0000 -44.91738 -44.10346 0.81392 1.66653 -44.18373 364.71955
6770.0000 -44.94369 -43.87730 1.06639 1.71265 -43.85529 422.47211
6775.0000 -45.01927 -43.93180 1.08747 1.72867 -43.74124 454.12526
6780.0000 -45.24017 -44.32971 0.91046 1.68255 -44.06964 387.17863
6785.0000 -45.44667 -44.67352 0.77315 1.63366 -44.41772 323.50383
6790.0000 -45.24970 -44.63493 0.61477 1.59868 -44.66682 264.22704
6795.0000 -45.13894 -44.43171 0.70722 1.61349 -44.56134 289.17249
6800.0000 -45.02498 -44.05892 0.96607 1.65801 -44.24437 339.92667
6805.0000 -44.98673 -44.10971 0.87702 1.67511 -44.12262 358.63403
6810.0000 -44.90333 -44.06146 0.84187 1.68870 -44.02586 384.26030
6815.0000 -45.10096 -44.35135 0.74961 1.67984 -44.08895 384.25736
6820.0000 -44.89657 -43.73386 1.16271 1.68184 -44.07471 378.85808
6825.0000 -44.82283 -43.95419 0.86864 1.71693 -43.82481 419.50120
6830.0000 -45.08547 -44.13047 0.95500 1.69786 -43.96060 414.85378
6835.0000 -45.12272 -44.11431 1.00841 1.68418 -44.05805 400.34213
6840.0000 -44.93329 -43.98061 0.95268 1.69189 -44.00313 391.07881
6845.0000 -44.75744 -44.18972 0.56772 1.66626 -44.18558 358.30879
6850.0000 -45.01377 -44.35535 0.65842 1.64229 -44.35627 326.17683
6855.0000 -45.11172 -44.10201 1.00971 1.65832 -44.24217 342.46326
6860.0000 -44.87447 -44.25173 0.62274 1.67159 -44.14767 361.74776
6865.0000 -44.75366 -43.80897 0.94469 1.70083 -43.93948 395.06539
6870.0000 -45.03522 -44.25155 0.78367 1.69254 -43.99849 392.43473
6875.0000 -45.06578 -44.21254 0.85324 1.66060 -44.22595 349.16343
6880.0000 -44.87560 -44.12642 0.74918 1.66503 -44.19439 346.29767
6885.0000 -45.17539 -44.13285 1.04254 1.68405 -44.05895 379.37917
6890.0000 -45.00193 -44.24005 0.76187 1.67050 -44.15541 362.76396
6895.0000 -45.31096 -44.43779 0.87317 1.65561 -44.26148 350.90855
6900.0000 -45.20913 -44.36930 0.83983 1.65314 -44.27907 348.15349
6905.0000 -45.11206 -44.10899 1.00307 1.65481 -44.26714 340.03311
6910.0000 -45.17625 -44.30936 0.86689 1.66684 -44.18145 356.20552
6915.0000 -45.21933 -44.37564 0.84369 1.64167 -44.36071 340.44120
6920.0000 -45.14037 -44.37747 0.76290 1.67875 -44.09670 379.91368
6925.0000 -45.27090 -44.37110 0.89980 1.65042 -44.29838 338.26422
6930.0000 -45.12724 -44.48630 0.64094 1.63270 -44.42456 312.12892
6935.0000 -44.92358 -43.91588 1.00771 1.71084 -43.86817 416.05939
6940.0000 -45.39901 -44.12722 1.27179 1.67054 -44.15511 376.01413
6945.0000 -45.11468 -44.27817 0.83651 1.67195 -44.14508 373.83832
6950.0000 -44.73559 -44.23053 0.50506 1.67189 -44.14555 364.85139
6955.0000 -45.09184 -44.17512 0.91671 1.63350 -44.41888 304.85502
6960.0000 -45.18199 -44.17924 1.00275 1.65292 -44.28060 347.50899
6965.0000 -45.08368 -44.01308 1.07061 1.66411 -44.20091 365.80125
6970.0000 -44.89175 -43.98766 0.90410 1.70324 -43.92228 410.90269
6975.0000 -44.99366 -43.95955 1.03411 1.70694 -43.89593 409.75858
6980.0000 -44.85169 -44.10606 0.74563 1.67069 -44.15410 359.51765
6985.0000 -45.33992 -44.43872 0.90120 1.64296 -44.35149 325.44808
6990.0000 -45.13121 -44.37266 0.75855 1.64924 -44.30679 340.94498
6995.0000 -45.11734 -44.35251 0.76483 1.64579 -44.33139 329.11397
7000.0000 -44.78721 -44.09780 0.68940 1.67933 -44.09254 386.05281
FREEZING PROCESS: loop number 29 T-loop= 339.00000000000000
main_MD> interactions number 29 at Temperature= 339.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68820 2.06113 -2.54503
force_rgl> df(natom) 1.71013 0.67401 1.11004
7005.0000 -45.34354 -44.38497 0.95857 1.66256 -44.21194 366.21578
7010.0000 -44.98364 -44.37417 0.60948 1.63637 -44.39844 315.60919
7015.0000 -44.65482 -43.76332 0.89149 1.68377 -44.06091 382.79210
7020.0000 -44.82479 -43.89126 0.93353 1.71385 -43.84678 427.53081
7025.0000 -45.08646 -44.58796 0.49851 1.65310 -44.27935 344.54795
7030.0000 -45.46238 -45.01134 0.45104 1.59344 -44.70409 258.67305
7035.0000 -45.30557 -44.80691 0.49866 1.56846 -44.88199 221.76396
7040.0000 -45.00484 -44.24104 0.76380 1.64032 -44.37035 320.02641
7045.0000 -44.88407 -44.04416 0.83991 1.67013 -44.15806 374.13532
7050.0000 -44.93449 -43.96563 0.96886 1.69315 -43.99415 384.74387
7055.0000 -45.16678 -44.10174 1.06504 1.69771 -43.96166 403.04173
7060.0000 -45.00245 -44.33628 0.66618 1.68245 -44.07037 393.46547
7065.0000 -45.09356 -44.38742 0.70615 1.64204 -44.35805 319.28537
7070.0000 -45.18233 -44.40940 0.77293 1.67168 -44.14702 371.14340
7075.0000 -44.92324 -44.29510 0.62815 1.65198 -44.28729 349.76173
7080.0000 -45.33550 -44.54903 0.78647 1.65358 -44.27590 357.80465
7085.0000 -45.16663 -44.58325 0.58338 1.63269 -44.42466 318.53825
7090.0000 -45.09550 -44.07961 1.01589 1.66806 -44.17281 374.95018
7095.0000 -45.06069 -44.25258 0.80811 1.67689 -44.10990 369.64688
7100.0000 -45.27308 -44.48893 0.78415 1.64822 -44.31404 334.82354
7105.0000 -45.34965 -44.60362 0.74603 1.62491 -44.48004 313.42821
7110.0000 -45.00985 -44.38950 0.62035 1.62736 -44.46260 312.45823
7115.0000 -45.14155 -44.16184 0.97971 1.65768 -44.24668 349.82445
7120.0000 -44.93287 -44.10067 0.83219 1.67245 -44.14155 381.13151
7125.0000 -44.94843 -44.25502 0.69341 1.62779 -44.45955 304.86790
7130.0000 -44.88765 -44.07536 0.81229 1.68429 -44.05725 379.79014
7135.0000 -45.36497 -44.43755 0.92742 1.65887 -44.23824 342.83072
7140.0000 -45.29784 -44.49808 0.79976 1.65183 -44.28839 336.88404
7145.0000 -45.30031 -44.32661 0.97370 1.64023 -44.37093 321.53230
7150.0000 -45.00736 -44.14366 0.86370 1.66206 -44.21549 350.19225
7155.0000 -45.32106 -44.38751 0.93355 1.64029 -44.37056 331.77756
7160.0000 -45.50471 -44.61332 0.89139 1.62386 -44.48755 305.04761
7165.0000 -45.25799 -44.61614 0.64185 1.61099 -44.57918 276.85192
7170.0000 -45.25509 -44.49106 0.76404 1.62395 -44.48686 300.45415
7175.0000 -45.44108 -44.58288 0.85820 1.62318 -44.49236 296.12390
7180.0000 -45.30049 -44.19285 1.10764 1.63909 -44.37911 321.94624
7185.0000 -44.99381 -44.06484 0.92897 1.64387 -44.34502 330.49988
7190.0000 -44.81115 -44.07991 0.73124 1.64462 -44.33970 336.43312
7195.0000 -45.18543 -44.35710 0.82833 1.64670 -44.32492 339.97118
7200.0000 -45.36794 -44.61668 0.75126 1.60021 -44.65593 274.50033
7205.0000 -44.98724 -44.18318 0.80406 1.65682 -44.25281 339.96156
7210.0000 -44.95799 -44.08872 0.86927 1.67883 -44.09611 377.82665
7215.0000 -44.91236 -44.22496 0.68740 1.67003 -44.15879 371.89046
7220.0000 -45.01756 -44.22704 0.79052 1.65927 -44.23541 344.59026
7225.0000 -45.10816 -44.27195 0.83622 1.65607 -44.25816 345.94307
7230.0000 -44.72880 -43.83610 0.89271 1.68125 -44.07886 383.63801
7235.0000 -44.94998 -44.02630 0.92368 1.70037 -43.94275 411.80696
7240.0000 -45.14950 -44.25785 0.89165 1.67236 -44.14216 375.80469
7245.0000 -45.18100 -44.52798 0.65302 1.63803 -44.38659 325.06626
7250.0000 -45.38128 -44.66065 0.72064 1.63112 -44.43581 312.76607
FREEZING PROCESS: loop number 30 T-loop= 314.00000000000000
main_MD> interactions number 30 at Temperature= 314.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.21574 -2.21120 1.04015
force_rgl> df(natom) -0.79433 0.21590 -1.21958
7255.0000 -45.05293 -44.29649 0.75645 1.62642 -44.46930 303.73308
7260.0000 -45.29419 -44.51735 0.77684 1.63149 -44.43322 323.19010
7265.0000 -44.94733 -44.09192 0.85541 1.65954 -44.23345 361.62143
7270.0000 -45.15578 -44.21495 0.94083 1.66372 -44.20373 357.35942
7275.0000 -45.36551 -44.30250 1.06301 1.65384 -44.27405 342.88150
7280.0000 -45.28898 -44.62240 0.66658 1.64369 -44.34635 336.53333
7285.0000 -45.35080 -44.31750 1.03330 1.61023 -44.58460 280.05016
7290.0000 -45.20777 -44.45640 0.75137 1.62590 -44.47296 305.42211
7295.0000 -45.11184 -44.44438 0.66745 1.61432 -44.55544 287.56049
7300.0000 -45.21137 -44.61777 0.59360 1.61703 -44.53615 294.37218
7305.0000 -45.08310 -44.08644 0.99666 1.64373 -44.34601 324.27148
7310.0000 -45.06157 -44.44426 0.61731 1.65873 -44.23924 351.08131
7315.0000 -45.17501 -44.28902 0.88599 1.64192 -44.35895 327.66361
7320.0000 -45.01664 -43.99792 1.01872 1.65558 -44.26169 337.61538
7325.0000 -45.03163 -43.73294 1.29869 1.71105 -43.86667 426.20255
7330.0000 -45.20898 -44.16807 1.04091 1.70412 -43.91607 404.44383
7335.0000 -45.19071 -44.34318 0.84753 1.65634 -44.25627 350.20394
7340.0000 -45.15569 -44.46958 0.68611 1.64204 -44.35804 326.95931
7345.0000 -45.57716 -44.64139 0.93578 1.60825 -44.59866 276.48206
7350.0000 -44.89393 -44.21019 0.68374 1.64191 -44.35899 321.62069
7355.0000 -45.34301 -44.37066 0.97235 1.65027 -44.29946 343.46535
7360.0000 -45.17725 -44.26974 0.90751 1.65042 -44.29843 331.50473
7365.0000 -45.20915 -44.46109 0.74805 1.62739 -44.46239 307.51938
7370.0000 -45.13512 -44.64289 0.49223 1.61195 -44.57234 290.34242
7375.0000 -45.10511 -44.13912 0.96599 1.66221 -44.21447 349.99403
7380.0000 -45.20715 -44.47925 0.72789 1.63157 -44.43265 310.46970
7385.0000 -45.10454 -44.44215 0.66240 1.61179 -44.57346 277.49004
7390.0000 -45.16120 -44.57627 0.58494 1.62235 -44.49825 291.12305
7395.0000 -45.17560 -44.55932 0.61628 1.61358 -44.56075 289.36741
7400.0000 -45.02173 -44.40246 0.61927 1.62001 -44.51497 291.48173
7405.0000 -45.30831 -44.71810 0.59021 1.62370 -44.48865 300.10299
7410.0000 -45.33442 -44.57315 0.76127 1.61892 -44.52267 299.14516
7415.0000 -45.21138 -44.46634 0.74504 1.62016 -44.51389 292.24420
7420.0000 -45.30021 -44.44344 0.85677 1.60421 -44.62743 266.58342
7425.0000 -45.41800 -44.52949 0.88851 1.61806 -44.52882 291.75537
7430.0000 -45.11243 -44.32419 0.78824 1.63649 -44.39761 320.55335
7435.0000 -45.20450 -44.54494 0.65956 1.64556 -44.33299 330.35413
7440.0000 -45.19754 -44.38278 0.81475 1.63086 -44.43766 307.50415
7445.0000 -44.83350 -44.19456 0.63894 1.64636 -44.32734 328.95585
7450.0000 -45.39144 -44.57916 0.81228 1.63088 -44.43757 302.68359
7455.0000 -45.21339 -44.62356 0.58982 1.61618 -44.54219 291.01263
7460.0000 -45.27724 -44.32174 0.95550 1.63470 -44.41031 314.34990
7465.0000 -45.29576 -44.61431 0.68144 1.60754 -44.60371 274.63516
7470.0000 -45.36532 -44.64547 0.71986 1.62056 -44.51105 304.75254
7475.0000 -45.21566 -44.44840 0.76726 1.60782 -44.60171 280.80179
7480.0000 -45.19060 -44.35571 0.83489 1.64234 -44.35591 326.62871
7485.0000 -45.25335 -44.47389 0.77946 1.62846 -44.45474 306.34752
7490.0000 -44.83242 -44.12171 0.71072 1.64393 -44.34461 325.06618
7495.0000 -45.15601 -44.47832 0.67769 1.65742 -44.24854 346.24840
7500.0000 -44.89671 -44.22039 0.67632 1.65327 -44.27810 339.26639
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 36.9444709 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink