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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_44/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_44.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 = 44 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 44 4400
main_MD> Size of nv and nvoiz: 44 4400
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 = 44
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> -8.1144221621623942E-003 -3.2843044071864440E-002 8.4220311997278627E-003 initial drift of cluster / NP1 for coalescence
init> 0.31002900563552305 0.31014631386402636 0.30138837677034502 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7005888301813099E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15401 3.22253 2.24564
force_rgl> df(natom) 0.09461 -0.28910 -0.04730
preparo> THERMALIZATION PROCESS AT 1187.0193339086993
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -91.557977312139116 7.2315769407338895 -98.789554252873003 6.6534803087550773E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1163.0000000000000
main_MD> interactions number 1 at Temperature= 1163.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30078 0.04796 1.26635
force_rgl> df(natom) -0.88266 -0.68516 0.89831
5.0000 -100.49191 -92.41630 8.07561 2.99111 -92.52072 1378.55271
10.0000 -99.45107 -92.49242 6.95866 2.97712 -92.69509 1288.74661
15.0000 -98.57526 -90.94967 7.62559 3.10541 -91.09611 1435.81075
20.0000 -101.19671 -94.24944 6.94728 3.03718 -91.94657 1381.87295
25.0000 -100.47969 -93.19755 7.28214 2.94068 -93.14919 1242.76563
30.0000 -99.50205 -93.52255 5.97950 2.95172 -93.01162 1262.47743
35.0000 -98.67987 -92.71193 5.96794 2.90006 -93.65550 1252.85669
40.0000 -101.71218 -93.56542 8.14677 2.90753 -93.56245 1242.68204
45.0000 -100.46168 -92.83155 7.63013 2.92725 -93.31668 1289.23124
50.0000 -100.64423 -93.50354 7.14068 2.93146 -93.26414 1294.52062
55.0000 -101.88091 -95.20719 6.67371 2.90685 -93.57084 1164.17716
60.0000 -102.97421 -95.07820 7.89601 2.78272 -95.11794 1144.07818
65.0000 -101.48258 -94.50599 6.97660 2.81501 -94.71551 1147.26875
70.0000 -100.36332 -93.99523 6.36809 2.85932 -94.16322 1136.92916
75.0000 -101.14932 -93.68302 7.46630 2.90050 -93.64999 1204.94290
80.0000 -100.91968 -94.32508 6.59460 2.85228 -94.25099 1190.10841
85.0000 -101.30580 -94.52791 6.77788 2.84426 -94.35092 1205.98095
90.0000 -100.00540 -94.10596 5.89943 2.84006 -94.40328 1173.75463
95.0000 -103.50700 -95.45155 8.05545 2.85326 -94.23884 1195.39918
100.0000 -101.82975 -96.46920 5.36055 2.74664 -95.56764 1144.71895
105.0000 -101.15748 -95.51982 5.63766 2.71344 -95.98147 1134.78756
110.0000 -102.37055 -94.96295 7.40760 2.76324 -95.36079 1127.06011
115.0000 -102.19348 -95.14596 7.04752 2.77360 -95.23164 1175.46103
120.0000 -100.84530 -93.56699 7.27831 2.88639 -93.82595 1238.18937
125.0000 -101.11647 -93.25303 7.86345 2.93606 -93.20688 1220.15576
130.0000 -101.30169 -94.75497 6.54672 2.83731 -94.43757 1145.90305
135.0000 -102.60110 -95.44862 7.15249 2.74605 -95.57495 1141.01446
140.0000 -100.25656 -93.43667 6.81989 2.78233 -95.12284 1160.60070
145.0000 -102.00283 -95.87536 6.12747 2.88710 -93.81701 1209.16548
150.0000 -101.20920 -94.52851 6.68069 2.68722 -96.30817 1063.48289
155.0000 -100.79258 -93.61307 7.17952 2.88396 -93.85619 1269.61365
160.0000 -101.08716 -94.55000 6.53715 2.82552 -94.58452 1150.16853
165.0000 -102.87557 -96.26244 6.61313 2.82893 -94.54208 1179.17958
170.0000 -101.99792 -95.97195 6.02598 2.75887 -95.41519 1140.75265
175.0000 -102.24132 -96.30471 5.93661 2.71376 -95.97741 1102.60204
180.0000 -102.50123 -95.19526 7.30597 2.76094 -95.38936 1136.20760
185.0000 -103.72179 -96.53064 7.19116 2.68214 -96.37149 1097.09935
190.0000 -100.65793 -95.17618 5.48175 2.69016 -96.27158 1071.79037
195.0000 -100.95546 -94.31387 6.64159 2.78276 -95.11740 1185.73577
200.0000 -101.79817 -96.35197 5.44620 2.80479 -94.84284 1123.34777
205.0000 -101.08626 -94.64077 6.44549 2.75716 -95.43657 1071.95965
210.0000 -100.57275 -92.77679 7.79596 3.00609 -92.33403 1311.94775
215.0000 -100.26703 -95.13328 5.13375 2.95145 -93.01504 1315.21486
220.0000 -100.26575 -94.98832 5.27743 2.82232 -94.62438 1182.85972
225.0000 -99.71514 -93.85242 5.86272 2.87374 -93.98350 1233.31226
230.0000 -102.66392 -95.09542 7.56850 2.80818 -94.80062 1178.11049
235.0000 -102.44113 -96.02717 6.41396 2.79111 -95.01345 1158.33211
240.0000 -100.44645 -94.10219 6.34426 2.78412 -95.10055 1138.38712
245.0000 -99.94844 -92.99329 6.95514 2.84434 -94.34999 1209.05683
250.0000 -101.29209 -94.54757 6.74452 2.90842 -93.55129 1235.80335
FREEZING PROCESS: loop number 2 T-loop= 1138.0000000000000
main_MD> interactions number 2 at Temperature= 1138.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.47551 2.02091 -0.59422
force_rgl> df(natom) 0.02052 0.09184 -0.01363
255.0000 -101.59069 -95.65702 5.93367 2.80911 -94.78907 1161.26054
260.0000 -102.43262 -96.55687 5.87576 2.75295 -95.48897 1152.68160
265.0000 -102.82451 -96.37539 6.44912 2.68264 -96.36524 1062.39320
270.0000 -101.66923 -95.14203 6.52720 2.76490 -95.34001 1136.52812
275.0000 -101.84964 -95.12329 6.72634 2.80165 -94.88202 1203.77666
280.0000 -100.64532 -94.40048 6.24483 2.78101 -95.13925 1108.24325
285.0000 -100.24213 -93.50246 6.73966 2.91297 -93.49456 1246.38639
290.0000 -102.59710 -95.66323 6.93386 2.81549 -94.70951 1200.93831
295.0000 -99.45213 -93.24184 6.21029 2.85649 -94.19849 1190.08265
300.0000 -101.64154 -93.86744 7.77410 2.87520 -93.96534 1256.77116
305.0000 -102.32603 -96.11447 6.21156 2.81823 -94.67533 1195.89418
310.0000 -102.27288 -94.22364 8.04923 2.86841 -94.04995 1185.31434
315.0000 -103.10768 -95.83453 7.27316 2.76974 -95.27976 1177.25011
320.0000 -102.06913 -94.87455 7.19457 2.74893 -95.53906 1092.74223
325.0000 -100.49102 -94.42400 6.06701 2.79255 -94.99545 1149.62997
330.0000 -103.28161 -95.83601 7.44560 2.73515 -95.71084 1101.15744
335.0000 -102.77286 -97.29673 5.47613 2.70837 -96.04462 1090.38266
340.0000 -101.07595 -94.30731 6.76865 2.71480 -95.96450 1115.82208
345.0000 -102.15045 -97.30986 4.84059 2.75877 -95.41641 1167.38564
350.0000 -101.98721 -95.96785 6.01936 2.67823 -96.42020 1074.09746
355.0000 -101.18579 -95.80861 5.37718 2.73522 -95.71001 1101.69502
360.0000 -102.12668 -94.26142 7.86526 2.79640 -94.94744 1141.94107
365.0000 -100.61791 -94.55250 6.06541 2.83309 -94.49017 1175.09921
370.0000 -102.15483 -96.28377 5.87106 2.74791 -95.55181 1112.90321
375.0000 -101.32849 -95.22346 6.10503 2.76016 -95.39909 1121.14581
380.0000 -100.23923 -94.76425 5.47498 2.78821 -95.04958 1131.33506
385.0000 -101.22409 -95.51349 5.71060 2.77689 -95.19060 1101.47256
390.0000 -102.13918 -95.57662 6.56256 2.78139 -95.13457 1123.56937
395.0000 -101.86748 -95.50576 6.36172 2.73539 -95.70783 1125.03608
400.0000 -100.72660 -93.07233 7.65427 2.81271 -94.74416 1151.65614
405.0000 -100.80216 -93.04771 7.75445 2.88112 -93.89159 1247.27883
410.0000 -102.24142 -96.86782 5.37360 2.85018 -94.27716 1211.59686
415.0000 -102.44948 -96.84693 5.60255 2.62387 -97.09771 1065.05869
420.0000 -102.62835 -95.36204 7.26632 2.67842 -96.41785 1053.28106
425.0000 -99.55735 -91.63328 7.92406 2.95075 -93.02373 1282.16309
430.0000 -101.39388 -94.23291 7.16097 3.03520 -91.97115 1279.29752
435.0000 -103.14787 -95.82157 7.32629 2.83230 -94.50004 1204.08143
440.0000 -102.28845 -96.21444 6.07401 2.76352 -95.35720 1142.09707
445.0000 -100.79008 -94.07356 6.71652 2.81172 -94.75654 1201.58913
450.0000 -100.88057 -95.09168 5.78889 2.78063 -95.14402 1158.47514
455.0000 -101.63652 -93.66252 7.97400 2.91652 -93.45036 1269.75490
460.0000 -103.20720 -96.67547 6.53173 2.77215 -95.24972 1142.65263
465.0000 -102.25505 -95.79613 6.45892 2.73374 -95.72842 1151.60870
470.0000 -101.77083 -95.32837 6.44246 2.68696 -96.31145 1102.06546
475.0000 -101.41022 -95.59549 5.81473 2.69729 -96.18265 1036.89014
480.0000 -101.96317 -95.77604 6.18712 2.74837 -95.54608 1093.25771
485.0000 -102.58019 -97.25785 5.32234 2.65664 -96.68938 1052.28600
490.0000 -102.35511 -96.48943 5.86568 2.62582 -97.07351 1029.79230
495.0000 -101.29583 -93.83487 7.46096 2.79792 -94.92857 1185.24758
500.0000 -101.91457 -96.06782 5.84675 2.79698 -94.94017 1114.46963
FREEZING PROCESS: loop number 3 T-loop= 1113.0000000000000
main_MD> interactions number 3 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.61719 -0.22669 -0.27338
force_rgl> df(natom) -3.39954 3.72449 -5.26755
505.0000 -101.54865 -96.26639 5.28226 2.72112 -95.88570 1100.88662
510.0000 -101.18872 -94.52468 6.66404 2.73054 -95.76829 1070.20878
515.0000 -101.77705 -95.53721 6.23983 2.83349 -94.48524 1233.99691
520.0000 -101.03741 -94.00595 7.03146 2.73000 -95.77499 1138.40833
525.0000 -103.34486 -94.95161 8.39325 2.79036 -95.02280 1149.49016
530.0000 -100.65320 -93.10809 7.54510 2.87103 -94.01729 1241.90911
535.0000 -101.91423 -95.82951 6.08472 2.84269 -94.37054 1204.57060
540.0000 -102.37038 -97.38388 4.98650 2.64060 -96.88925 1090.14990
545.0000 -104.56978 -97.90437 6.66540 2.59128 -97.50399 1031.22256
550.0000 -104.06344 -97.89470 6.16873 2.54828 -98.03987 978.64986
555.0000 -101.89605 -96.87474 5.02131 2.61384 -97.22283 1021.41130
560.0000 -104.28867 -98.38871 5.89996 2.56593 -97.81986 961.79668
565.0000 -103.95429 -97.99379 5.96050 2.54861 -98.03573 931.77377
570.0000 -102.85930 -96.35178 6.50753 2.57620 -97.69190 1014.08580
575.0000 -102.60957 -97.97956 4.63001 2.57197 -97.74464 1008.11700
580.0000 -101.37560 -96.38480 4.99080 2.56006 -97.89308 990.47220
585.0000 -102.67541 -95.36469 7.31072 2.76592 -95.32734 1112.05566
590.0000 -103.18564 -97.39481 5.79083 2.68950 -96.27975 1067.60125
595.0000 -102.35848 -96.65820 5.70028 2.62143 -97.12814 1033.27704
600.0000 -102.64270 -97.29698 5.34571 2.67416 -96.47095 1075.79006
605.0000 -102.51747 -96.54164 5.97582 2.63856 -96.91471 1001.70824
610.0000 -100.99683 -94.40943 6.58740 2.75529 -95.45987 1115.55118
615.0000 -101.53694 -96.13872 5.39822 2.85353 -94.23544 1183.29672
620.0000 -102.89926 -96.50347 6.39578 2.65116 -96.75766 1018.43436
625.0000 -102.10486 -96.82646 5.27839 2.64633 -96.81780 1025.94306
630.0000 -102.76990 -95.76278 7.00711 2.66972 -96.52634 1062.47982
635.0000 -102.86052 -95.53158 7.32893 2.71805 -95.92392 1075.82687
640.0000 -102.64840 -96.87672 5.77169 2.71886 -95.91382 1110.19421
645.0000 -102.30982 -95.94347 6.36636 2.64530 -96.83062 1037.44356
650.0000 -102.26580 -95.55198 6.71382 2.70729 -96.05806 1112.51832
655.0000 -103.45295 -96.99805 6.45491 2.75059 -95.51837 1109.53706
660.0000 -102.83672 -96.14333 6.69338 2.67280 -96.48791 1082.36418
665.0000 -103.62110 -96.37668 7.24442 2.67419 -96.47065 1101.77376
670.0000 -102.33146 -95.18011 7.15134 2.69654 -96.19208 1081.82258
675.0000 -102.02916 -95.16051 6.86865 2.85992 -94.15585 1182.79130
680.0000 -101.07122 -94.36780 6.70342 2.88079 -93.89571 1185.93878
685.0000 -102.14901 -96.37497 5.77404 2.81910 -94.66450 1134.76426
690.0000 -102.18419 -96.90796 5.27623 2.70055 -96.14212 1054.72834
695.0000 -101.59845 -95.71157 5.88688 2.70388 -96.10054 1093.19735
700.0000 -100.55382 -95.11886 5.43496 2.78566 -95.08137 1154.86460
705.0000 -101.30959 -95.18196 6.12763 2.74297 -95.61336 1133.04210
710.0000 -102.91961 -97.17276 5.74686 2.71048 -96.01834 1095.66166
715.0000 -102.61772 -96.40524 6.21248 2.66772 -96.55122 1041.19532
720.0000 -102.28666 -96.13383 6.15282 2.64462 -96.83909 1075.77331
725.0000 -101.31637 -95.90264 5.41373 2.69139 -96.25628 1071.14969
730.0000 -101.51426 -95.14877 6.36549 2.76001 -95.40101 1143.00071
735.0000 -102.49091 -96.24757 6.24334 2.68156 -96.37877 1041.96771
740.0000 -101.71554 -94.69993 7.01561 2.75880 -95.41605 1181.66937
745.0000 -103.64208 -96.63403 7.00805 2.77438 -95.22193 1148.66158
750.0000 -102.10399 -94.83961 7.26438 2.75328 -95.48494 1134.93216
FREEZING PROCESS: loop number 4 T-loop= 1088.0000000000000
main_MD> interactions number 4 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.41855 -1.19512 1.88230
force_rgl> df(natom) 0.19658 1.64872 2.63628
755.0000 -101.86854 -93.24899 8.61956 2.92184 -93.38409 1270.12399
760.0000 -99.31983 -92.04453 7.27530 2.96665 -92.82561 1258.25830
765.0000 -101.37757 -94.02388 7.35369 2.94496 -93.09592 1316.65914
770.0000 -103.06145 -96.65712 6.40433 2.74066 -95.64211 1139.22803
775.0000 -102.95971 -96.65684 6.30287 2.67984 -96.40023 1066.22248
780.0000 -101.96852 -96.61045 5.35807 2.71833 -95.92048 1096.13347
785.0000 -102.48907 -95.37988 7.10920 2.72064 -95.89171 1133.84313
790.0000 -102.74542 -96.52853 6.21690 2.70732 -96.05769 1093.90612
795.0000 -103.08744 -96.40094 6.68650 2.64814 -96.79525 1041.36138
800.0000 -100.88618 -95.61458 5.27160 2.76552 -95.33236 1149.88682
805.0000 -101.91851 -97.22689 4.69161 2.63294 -96.98468 1035.15640
810.0000 -101.70976 -96.84304 4.86672 2.59756 -97.42571 997.35104
815.0000 -103.09952 -97.16402 5.93550 2.60356 -97.35085 993.32879
820.0000 -102.13738 -95.44775 6.68963 2.71935 -95.90775 1076.45533
825.0000 -102.10663 -96.20031 5.90632 2.73099 -95.76265 1140.84734
830.0000 -102.20737 -95.73800 6.46937 2.67317 -96.48330 1057.29886
835.0000 -103.45247 -96.82604 6.62643 2.70842 -96.04400 1085.14965
840.0000 -102.63862 -96.00558 6.63304 2.71087 -96.01340 1118.16409
845.0000 -102.46867 -97.57442 4.89425 2.65060 -96.76456 1030.10253
850.0000 -102.77419 -97.24739 5.52679 2.53537 -98.20072 926.18713
855.0000 -102.19382 -96.89231 5.30151 2.64410 -96.84561 1068.06492
860.0000 -101.75761 -96.50099 5.25662 2.67579 -96.45063 1045.21099
865.0000 -101.26691 -95.71730 5.54962 2.70556 -96.07969 1093.59412
870.0000 -102.72310 -97.23513 5.48797 2.73524 -95.70966 1068.46354
875.0000 -101.87879 -95.87645 6.00233 2.66642 -96.56745 997.17240
880.0000 -102.83718 -98.37446 4.46272 2.64669 -96.81329 1052.29623
885.0000 -101.42492 -95.95066 5.47426 2.66560 -96.57762 1059.50591
890.0000 -102.08488 -97.05588 5.02900 2.60487 -97.33462 973.63777
895.0000 -103.54737 -98.15138 5.39599 2.61236 -97.24128 1030.88612
900.0000 -104.44967 -98.88403 5.56564 2.58047 -97.63872 995.01508
905.0000 -103.27772 -95.92753 7.35019 2.59299 -97.48258 996.26190
910.0000 -102.52125 -96.38520 6.13605 2.65354 -96.72797 1040.26629
915.0000 -103.49370 -96.78962 6.70408 2.71537 -95.95741 1082.85852
920.0000 -101.59398 -95.38259 6.21139 2.71502 -95.96177 1108.08788
925.0000 -101.78153 -96.95249 4.82905 2.72809 -95.79879 1076.30485
930.0000 -102.90294 -97.55264 5.35030 2.62465 -97.08806 1037.63644
935.0000 -103.97381 -98.21087 5.76294 2.52405 -98.34180 950.68570
940.0000 -102.07094 -96.62170 5.44925 2.63171 -97.00011 1045.48570
945.0000 -103.16306 -97.62150 5.54156 2.63403 -96.97114 1020.15404
950.0000 -103.97757 -97.75059 6.22699 2.63560 -96.95155 1051.04893
955.0000 -103.90188 -97.30973 6.59215 2.59715 -97.43073 1022.65313
960.0000 -101.54073 -95.96865 5.57208 2.62059 -97.13865 1031.37333
965.0000 -101.15652 -95.30237 5.85415 2.72425 -95.84666 1075.78404
970.0000 -102.06333 -95.61562 6.44771 2.70928 -96.03330 1048.66804
975.0000 -102.23891 -95.97041 6.26850 2.72377 -95.85265 1069.64533
980.0000 -103.54835 -96.24086 7.30749 2.70227 -96.12065 1084.63630
985.0000 -103.01669 -96.28159 6.73510 2.68872 -96.28952 1083.60912
990.0000 -102.12125 -96.00538 6.11587 2.69571 -96.20240 1056.32881
995.0000 -101.31195 -94.63754 6.67441 2.79413 -94.97578 1169.09669
1000.0000 -100.98841 -95.28726 5.70115 2.79015 -95.02532 1139.58245
FREEZING PROCESS: loop number 5 T-loop= 1063.0000000000000
main_MD> interactions number 5 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08381 1.55749 -0.18233
force_rgl> df(natom) 2.85865 2.56599 -2.16144
1005.0000 -101.78928 -95.35075 6.43853 2.76591 -95.32741 1113.74901
1010.0000 -102.63195 -95.12892 7.50303 2.77341 -95.23398 1154.17643
1015.0000 -103.45763 -97.52545 5.93219 2.75174 -95.50408 1131.47403
1020.0000 -101.97820 -95.03737 6.94084 2.64563 -96.82661 1061.57152
1025.0000 -102.57277 -97.18671 5.38606 2.64639 -96.81709 1020.72488
1030.0000 -100.52859 -95.21501 5.31357 2.69109 -96.25994 1043.89693
1035.0000 -103.07867 -96.64056 6.43811 2.66392 -96.59858 1057.66911
1040.0000 -101.57670 -95.27068 6.30602 2.71618 -95.94723 1048.74903
1045.0000 -100.76484 -94.71623 6.04861 2.81675 -94.69388 1193.01715
1050.0000 -102.74507 -96.08915 6.65591 2.80251 -94.87126 1123.02799
1055.0000 -101.80219 -96.12287 5.67933 2.63063 -97.01345 1072.48847
1060.0000 -102.21980 -95.50110 6.71870 2.70975 -96.02739 1060.89199
1065.0000 -102.59116 -96.21151 6.37965 2.74638 -95.57083 1062.02607
1070.0000 -102.43997 -96.26670 6.17327 2.67943 -96.40534 1082.13023
1075.0000 -102.09498 -96.22055 5.87442 2.69269 -96.23998 1035.13303
1080.0000 -102.92628 -96.12190 6.80438 2.67987 -96.39981 1079.95101
1085.0000 -103.60292 -97.88196 5.72096 2.60687 -97.30965 958.11177
1090.0000 -101.98501 -94.70299 7.28202 2.61024 -97.26766 1010.99925
1095.0000 -102.76325 -96.58245 6.18080 2.70401 -96.09891 1069.23443
1100.0000 -102.87970 -97.98496 4.89474 2.61173 -97.24903 1002.31709
1105.0000 -102.08779 -95.84050 6.24729 2.70666 -96.06589 1052.70896
1110.0000 -102.50256 -96.20655 6.29601 2.72855 -95.79315 1069.62270
1115.0000 -102.69787 -97.16782 5.53005 2.67072 -96.51386 1023.77335
1120.0000 -103.42186 -96.56035 6.86151 2.61831 -97.16702 1034.10108
1125.0000 -101.64194 -96.22420 5.41773 2.67347 -96.47959 1051.07395
1130.0000 -102.70219 -96.65481 6.04738 2.65137 -96.75500 1011.96341
1135.0000 -103.33094 -96.30929 7.02164 2.66858 -96.54048 1067.83254
1140.0000 -103.82645 -97.64121 6.18524 2.59760 -97.42521 992.82397
1145.0000 -101.61317 -96.40292 5.21025 2.63929 -96.90563 1041.88083
1150.0000 -102.73725 -96.62962 6.10764 2.68241 -96.36819 1045.16332
1155.0000 -103.35654 -96.04005 7.31649 2.66035 -96.64304 1045.23140
1160.0000 -102.18206 -96.66026 5.52180 2.65994 -96.64815 1088.82638
1165.0000 -101.95683 -94.65614 7.30070 2.71137 -96.00716 1097.17872
1170.0000 -101.15057 -95.52146 5.62911 2.77997 -95.15226 1120.48867
1175.0000 -101.80041 -95.67747 6.12294 2.77416 -95.22468 1125.06373
1180.0000 -101.91948 -95.79404 6.12543 2.71159 -96.00445 1123.57691
1185.0000 -102.62899 -96.21403 6.41496 2.71474 -95.96520 1109.68367
1190.0000 -103.41315 -97.33672 6.07643 2.61148 -97.25218 987.50434
1195.0000 -102.99753 -96.22188 6.77565 2.62074 -97.13676 1043.89129
1200.0000 -103.03778 -96.07881 6.95897 2.74647 -95.56980 1098.44730
1205.0000 -102.47861 -96.78987 5.68874 2.70641 -96.06906 1074.14539
1210.0000 -103.10684 -96.16725 6.93959 2.68076 -96.38872 1093.67455
1215.0000 -101.47185 -94.54511 6.92674 2.81208 -94.75199 1168.30253
1220.0000 -102.48319 -96.28244 6.20075 2.80832 -94.79888 1178.94360
1225.0000 -103.24761 -97.96734 5.28027 2.61407 -97.21996 1007.57849
1230.0000 -102.61949 -95.99653 6.62296 2.58719 -97.55487 998.58260
1235.0000 -102.44788 -95.47076 6.97712 2.73291 -95.73875 1126.15518
1240.0000 -101.62353 -95.69241 5.93112 2.72793 -95.80085 1104.33251
1245.0000 -101.84960 -94.59106 7.25854 2.73328 -95.73416 1072.29060
1250.0000 -101.35087 -95.30842 6.04245 2.77594 -95.20245 1124.57659
FREEZING PROCESS: loop number 6 T-loop= 1038.0000000000000
main_MD> interactions number 6 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.22450 3.42295 -4.76266
force_rgl> df(natom) -5.23285 3.54589 8.50473
1255.0000 -102.94696 -97.04408 5.90288 2.71728 -95.93359 1097.14796
1260.0000 -103.61626 -97.56935 6.04691 2.61534 -97.20402 1004.91346
1265.0000 -102.64436 -97.16873 5.47563 2.59110 -97.50625 969.01383
1270.0000 -102.63199 -96.72789 5.90410 2.59739 -97.42773 992.47475
1275.0000 -103.66654 -98.19687 5.46967 2.59191 -97.49615 1030.40389
1280.0000 -105.47940 -100.11153 5.36787 2.46198 -99.11550 937.12622
1285.0000 -102.98259 -96.90160 6.08099 2.52290 -98.35614 987.95141
1290.0000 -101.61458 -94.65075 6.96384 2.68490 -96.33713 1097.44586
1295.0000 -101.85669 -95.33591 6.52078 2.74707 -95.56222 1098.40677
1300.0000 -101.83715 -96.15734 5.67982 2.74847 -95.54478 1105.31802
1305.0000 -102.89029 -96.73115 6.15913 2.67518 -96.45826 1000.82380
1310.0000 -104.03712 -98.83098 5.20614 2.63377 -96.97436 1039.28967
1315.0000 -103.91333 -98.00598 5.90735 2.51180 -98.49452 958.30368
1320.0000 -102.66124 -96.44880 6.21244 2.63053 -97.01477 1014.84394
1325.0000 -101.08370 -96.26977 4.81393 2.69018 -96.27136 1016.23229
1330.0000 -102.40223 -96.27174 6.13049 2.63887 -96.91087 1039.73088
1335.0000 -103.73347 -96.75674 6.97673 2.63080 -97.01142 1036.60427
1340.0000 -103.31688 -97.98955 5.32733 2.59243 -97.48964 964.45435
1345.0000 -104.24987 -98.04711 6.20275 2.58557 -97.57507 985.30197
1350.0000 -101.17821 -95.82376 5.35445 2.65937 -96.65530 1061.81171
1355.0000 -101.58047 -95.15728 6.42318 2.75336 -95.48391 1106.84930
1360.0000 -100.97043 -95.43377 5.53666 2.79871 -94.91863 1126.56006
1365.0000 -102.73172 -97.29847 5.43325 2.72704 -95.81190 1104.20658
1370.0000 -103.54076 -97.03770 6.50306 2.54004 -98.14258 971.03569
1375.0000 -102.79039 -97.13369 5.65670 2.60056 -97.38827 1045.17379
1380.0000 -100.74470 -95.99488 4.74981 2.60019 -97.39286 1015.98528
1385.0000 -102.68672 -96.80674 5.87998 2.67928 -96.40716 1061.09025
1390.0000 -103.15893 -97.60187 5.55706 2.60543 -97.32759 968.13057
1395.0000 -102.79023 -97.98711 4.80312 2.52497 -98.33036 953.89234
1400.0000 -103.82285 -98.91769 4.90516 2.54675 -98.05889 934.32717
1405.0000 -103.37555 -98.89728 4.47827 2.52390 -98.34379 1009.03086
1410.0000 -103.58272 -98.38058 5.20214 2.44112 -99.37548 895.60372
1415.0000 -103.18864 -97.19852 5.99012 2.56764 -97.79856 991.54809
1420.0000 -103.78369 -98.85521 4.92849 2.60942 -97.27789 1051.43763
1425.0000 -102.52315 -96.89003 5.63312 2.65018 -96.76985 1083.46785
1430.0000 -103.18374 -97.56223 5.62151 2.64747 -96.80366 1046.76374
1435.0000 -101.89030 -96.59390 5.29640 2.60034 -97.39099 1001.04888
1440.0000 -102.72367 -97.23574 5.48793 2.68573 -96.32672 1095.59049
1445.0000 -104.91546 -99.98634 4.92912 2.52747 -98.29919 970.53301
1450.0000 -105.02132 -98.85707 6.16425 2.43149 -99.49542 896.27815
1455.0000 -103.94606 -97.96095 5.98511 2.43382 -99.46648 851.88840
1460.0000 -102.80495 -98.26382 4.54113 2.51748 -98.42375 944.53551
1465.0000 -104.31675 -97.59078 6.72597 2.57118 -97.75450 986.67347
1470.0000 -103.23654 -97.03974 6.19680 2.63710 -96.93284 1063.41376
1475.0000 -103.32287 -96.68075 6.64212 2.60635 -97.31612 1028.35019
1480.0000 -102.56058 -95.94107 6.61951 2.65374 -96.72547 1053.86224
1485.0000 -101.93620 -94.42160 7.51459 2.79386 -94.97918 1159.47106
1490.0000 -102.61039 -95.56925 7.04114 2.82083 -94.64296 1166.12793
1495.0000 -102.22482 -95.12100 7.10382 2.76632 -95.32240 1160.79377
1500.0000 -102.17718 -96.68511 5.49207 2.73167 -95.75424 1130.55627
FREEZING PROCESS: loop number 7 T-loop= 1013.0000000000000
main_MD> interactions number 7 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38916 -3.24705 -0.05415
force_rgl> df(natom) 1.58385 2.11072 -2.77048
1505.0000 -101.27239 -95.20322 6.06917 2.70156 -96.12955 1099.07351
1510.0000 -102.62791 -97.32173 5.30617 2.67778 -96.42588 1065.04237
1515.0000 -102.38079 -96.09544 6.28535 2.64775 -96.80009 1018.90657
1520.0000 -103.46718 -98.30249 5.16469 2.66533 -96.58107 1095.65064
1525.0000 -105.15604 -99.60557 5.55047 2.43913 -99.40025 883.14580
1530.0000 -104.82421 -98.83953 5.98468 2.46957 -99.02087 881.70727
1535.0000 -103.61865 -97.48307 6.13558 2.61708 -97.18243 1018.72644
1540.0000 -102.26703 -96.42588 5.84115 2.61424 -97.21773 1065.59479
1545.0000 -102.60277 -97.05474 5.54803 2.68304 -96.36032 1081.97324
1550.0000 -102.37734 -97.19754 5.17980 2.68267 -96.36493 1058.71141
1555.0000 -100.26043 -94.39123 5.86919 2.75236 -95.49636 1098.20651
1560.0000 -102.64649 -96.44637 6.20012 2.73770 -95.67902 1147.09280
1565.0000 -101.95308 -94.61311 7.33996 2.73491 -95.71380 1100.44800
1570.0000 -102.38801 -96.84869 5.53932 2.82645 -94.57290 1143.18719
1575.0000 -102.53840 -96.15071 6.38770 2.68925 -96.28289 1097.01508
1580.0000 -103.58485 -98.03293 5.55193 2.65477 -96.71267 1062.32953
1585.0000 -104.08034 -99.22143 4.85891 2.48124 -98.87544 938.37581
1590.0000 -103.79034 -99.16597 4.62437 2.50283 -98.60638 918.17405
1595.0000 -103.26330 -98.97245 4.29084 2.49666 -98.68318 903.99647
1600.0000 -102.75808 -97.71877 5.03930 2.55018 -98.01625 965.00159
1605.0000 -102.83283 -96.09038 6.74244 2.65917 -96.65779 1019.70812
1610.0000 -103.12579 -97.26139 5.86440 2.68490 -96.33709 1063.82439
1615.0000 -103.52858 -98.35516 5.17342 2.62015 -97.14416 993.40561
1620.0000 -101.76916 -96.20572 5.56343 2.59968 -97.39925 994.99617
1625.0000 -102.38413 -97.49161 4.89252 2.61329 -97.22961 1007.24218
1630.0000 -100.31191 -96.10869 4.20322 2.69929 -96.15779 1038.13420
1635.0000 -102.74520 -96.09469 6.65052 2.64755 -96.80262 1005.68778
1640.0000 -103.66410 -94.96426 8.69984 2.72690 -95.81367 1120.45890
1645.0000 -102.15979 -96.78202 5.37776 2.68985 -96.27544 1058.61458
1650.0000 -102.97339 -96.85949 6.11390 2.60526 -97.32974 974.78155
1655.0000 -102.69189 -95.52488 7.16701 2.66398 -96.59786 1019.77022
1660.0000 -103.41272 -97.81471 5.59801 2.65881 -96.66224 1084.44839
1665.0000 -101.75362 -96.27630 5.47733 2.60538 -97.32823 998.46892
1670.0000 -101.14632 -95.88988 5.25645 2.67286 -96.48722 1050.85655
1675.0000 -101.60999 -96.18185 5.42814 2.65800 -96.67234 1019.31049
1680.0000 -102.65701 -95.84524 6.81177 2.70884 -96.03876 1087.35557
1685.0000 -102.80196 -96.71278 6.08918 2.67940 -96.40569 1029.88704
1690.0000 -103.59282 -97.87918 5.71364 2.63348 -96.97801 1067.36099
1695.0000 -104.76683 -99.70819 5.05864 2.51602 -98.44196 912.87684
1700.0000 -104.00586 -99.13022 4.87564 2.41308 -99.72491 867.07613
1705.0000 -104.22604 -98.40759 5.81844 2.47675 -98.93140 921.84988
1710.0000 -103.64748 -98.82947 4.81802 2.56762 -97.79879 998.25351
1715.0000 -102.57872 -97.18519 5.39353 2.56404 -97.84341 999.96021
1720.0000 -102.40786 -96.48651 5.92136 2.62452 -97.08961 1053.15800
1725.0000 -102.25263 -96.06352 6.18911 2.66952 -96.52877 1100.62572
1730.0000 -101.00506 -94.45452 6.55054 2.75307 -95.48749 1120.73228
1735.0000 -103.82197 -97.57305 6.24892 2.72790 -95.80119 1126.73334
1740.0000 -102.87613 -96.19755 6.67858 2.60399 -97.34556 994.06945
1745.0000 -101.66363 -95.20983 6.45380 2.78123 -95.13650 1121.64958
1750.0000 -103.03367 -96.88378 6.14989 2.72463 -95.84199 1071.25134
FREEZING PROCESS: loop number 8 T-loop= 988.00000000000000
main_MD> interactions number 8 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.15028 0.80085 0.23579
force_rgl> df(natom) 0.09552 -0.32839 1.46273
1755.0000 -103.63022 -96.70757 6.92265 2.62377 -97.09904 1012.07465
1760.0000 -102.35459 -96.08312 6.27147 2.67823 -96.42024 1090.52374
1765.0000 -102.51192 -96.26345 6.24847 2.68512 -96.33439 1028.25984
1770.0000 -103.82228 -98.32437 5.49791 2.58916 -97.53040 973.67248
1775.0000 -103.48067 -99.58049 3.90019 2.48393 -98.84185 894.97012
1780.0000 -102.38666 -98.00952 4.37714 2.51195 -98.49269 919.64659
1785.0000 -103.52899 -97.63802 5.89098 2.51184 -98.49399 934.29675
1790.0000 -104.15662 -99.01854 5.13809 2.58870 -97.53611 985.35425
1795.0000 -103.10870 -97.68521 5.42350 2.55415 -97.96676 968.14833
1800.0000 -101.99619 -97.30688 4.68931 2.59096 -97.50791 977.71908
1805.0000 -104.90545 -98.83249 6.07296 2.56856 -97.78709 996.13489
1810.0000 -104.19148 -98.39568 5.79580 2.51835 -98.41285 928.23784
1815.0000 -104.78863 -100.43933 4.34930 2.50934 -98.52515 898.79203
1820.0000 -105.16058 -100.82941 4.33117 2.34781 -100.53835 820.14676
1825.0000 -106.20038 -100.24914 5.95124 2.35299 -100.47383 825.46257
1830.0000 -103.62579 -98.96210 4.66369 2.41769 -99.66750 884.12203
1835.0000 -103.16195 -98.84763 4.31432 2.48898 -98.77895 912.27301
1840.0000 -101.94477 -96.07791 5.86686 2.63632 -96.94256 1069.52798
1845.0000 -102.70276 -95.55690 7.14587 2.70555 -96.07982 1090.51544
1850.0000 -101.65448 -96.53653 5.11795 2.72942 -95.78220 1077.04188
1855.0000 -103.06360 -96.87946 6.18413 2.68986 -96.27533 1116.17475
1860.0000 -102.51321 -96.40732 6.10589 2.67048 -96.51682 1006.23481
1865.0000 -103.27951 -96.80189 6.47762 2.66866 -96.53952 1062.31556
1870.0000 -104.03295 -97.85069 6.18226 2.67926 -96.40739 1082.44668
1875.0000 -101.99352 -97.60378 4.38974 2.59998 -97.39550 936.41994
1880.0000 -104.50463 -99.54923 4.95540 2.52015 -98.39050 915.01591
1885.0000 -105.77221 -100.26072 5.51149 2.44449 -99.33350 914.81733
1890.0000 -104.84527 -99.33918 5.50608 2.42758 -99.54419 878.37619
1895.0000 -104.21507 -100.61473 3.60034 2.45464 -99.20696 872.35398
1900.0000 -104.87152 -99.43998 5.43154 2.38207 -100.11145 848.55139
1905.0000 -104.96031 -99.33586 5.62444 2.38068 -100.12879 822.02946
1910.0000 -103.55029 -98.91588 4.63441 2.43857 -99.40729 870.54155
1915.0000 -104.28942 -99.09978 5.18964 2.48142 -98.87317 868.58790
1920.0000 -103.14785 -97.91782 5.23003 2.53343 -98.22495 934.12238
1925.0000 -104.14732 -98.24719 5.90013 2.50511 -98.57794 947.28383
1930.0000 -101.50780 -95.74858 5.75921 2.62273 -97.11194 1029.40757
1935.0000 -102.71847 -96.01412 6.70435 2.69871 -96.16502 1093.25212
1940.0000 -104.48366 -98.92126 5.56240 2.58859 -97.53744 1035.56094
1945.0000 -104.49882 -100.30064 4.19818 2.43079 -99.50421 900.60341
1950.0000 -103.95880 -99.20758 4.75122 2.43093 -99.50248 890.59620
1955.0000 -103.91381 -98.79569 5.11812 2.45101 -99.25222 890.34070
1960.0000 -103.18526 -98.08915 5.09611 2.49400 -98.71641 931.49136
1965.0000 -102.49981 -97.15455 5.34526 2.59949 -97.40165 974.78215
1970.0000 -103.42592 -96.70180 6.72412 2.63903 -96.90881 1058.39064
1975.0000 -102.81445 -96.44770 6.36675 2.71062 -96.01653 1099.07411
1980.0000 -103.84822 -96.94106 6.90716 2.69822 -96.17117 1072.38751
1985.0000 -102.82299 -96.88666 5.93632 2.64368 -96.85084 1043.35416
1990.0000 -101.90490 -96.53242 5.37248 2.65046 -96.76637 1042.60683
1995.0000 -103.44300 -97.22803 6.21497 2.65156 -96.75263 1034.33273
2000.0000 -102.98763 -96.89556 6.09208 2.54820 -98.04083 1018.54025
FREEZING PROCESS: loop number 9 T-loop= 963.00000000000000
main_MD> interactions number 9 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.50264 2.55664 -1.71456
force_rgl> df(natom) 0.77308 -1.13759 0.86781
2005.0000 -102.29950 -95.56847 6.73103 2.68504 -96.33535 1076.85519
2010.0000 -102.51343 -96.57280 5.94064 2.73327 -95.73429 1069.83438
2015.0000 -102.72635 -97.57639 5.14996 2.62701 -97.05869 1040.52488
2020.0000 -104.91772 -98.73943 6.17830 2.62739 -97.05384 1032.47223
2025.0000 -104.66916 -100.08046 4.58870 2.42071 -99.62983 869.18912
2030.0000 -101.78515 -97.54910 4.23605 2.52309 -98.35383 970.65597
2035.0000 -104.29151 -98.58420 5.70731 2.55159 -97.99859 937.86981
2040.0000 -102.80775 -98.52806 4.27969 2.52602 -98.31730 918.14116
2045.0000 -104.69314 -100.14207 4.55106 2.45827 -99.16173 882.50253
2050.0000 -104.43325 -98.68369 5.74955 2.43596 -99.43972 883.33843
2055.0000 -104.35603 -98.17711 6.17892 2.52132 -98.37592 959.57318
2060.0000 -103.13286 -96.38282 6.75005 2.59842 -97.41500 1033.89230
2065.0000 -102.69584 -96.75689 5.93895 2.61958 -97.15119 1020.61232
2070.0000 -103.64376 -98.82756 4.81620 2.54004 -98.14253 923.94826
2075.0000 -104.36452 -98.54555 5.81897 2.54424 -98.09025 986.38192
2080.0000 -104.47345 -97.76572 6.70773 2.56489 -97.83282 979.35793
2085.0000 -103.58624 -98.81999 4.76625 2.49048 -98.76027 915.41520
2090.0000 -102.14802 -97.16695 4.98107 2.52491 -98.33110 921.95095
2095.0000 -102.65014 -97.21672 5.43343 2.62738 -97.05403 982.06803
2100.0000 -103.32237 -97.78475 5.53762 2.58068 -97.63609 1015.51735
2105.0000 -102.02404 -95.81374 6.21030 2.60188 -97.37182 1036.18878
2110.0000 -103.02287 -97.59464 5.42823 2.68605 -96.32285 1064.89536
2115.0000 -103.07892 -97.04808 6.03084 2.62797 -97.04660 1024.70317
2120.0000 -104.62081 -99.33015 5.29066 2.55658 -97.93647 1016.69139
2125.0000 -104.51114 -99.36057 5.15057 2.52115 -98.37804 951.35576
2130.0000 -103.31751 -97.91944 5.39808 2.52420 -98.34004 974.49850
2135.0000 -102.16014 -96.53785 5.62230 2.58374 -97.59792 983.10123
2140.0000 -103.26909 -98.07040 5.19869 2.61785 -97.17280 994.31540
2145.0000 -105.04595 -99.40332 5.64263 2.50166 -98.62093 927.02880
2150.0000 -102.89768 -98.14441 4.75327 2.44964 -99.26932 880.70021
2155.0000 -101.92376 -97.25729 4.66647 2.54790 -98.04466 986.66299
2160.0000 -103.60738 -99.09631 4.51107 2.52984 -98.26971 973.75492
2165.0000 -102.86406 -97.99633 4.86773 2.50250 -98.61041 952.49040
2170.0000 -102.64785 -96.65645 5.99139 2.56971 -97.77272 935.85746
2175.0000 -102.79919 -96.22817 6.57102 2.68846 -96.29270 1031.24720
2180.0000 -104.47444 -99.21345 5.26099 2.58647 -97.56395 982.79897
2185.0000 -103.88281 -97.93848 5.94433 2.48185 -98.86777 909.07631
2190.0000 -103.36030 -97.85624 5.50406 2.57223 -97.74135 989.10386
2195.0000 -103.80550 -98.83469 4.97082 2.51474 -98.45795 973.94969
2200.0000 -104.10165 -99.39063 4.71103 2.48758 -98.79635 914.29419
2205.0000 -104.84529 -99.64848 5.19680 2.45765 -99.16937 885.48947
2210.0000 -104.42469 -100.04896 4.37573 2.42214 -99.61204 864.45385
2215.0000 -104.89223 -98.69170 6.20053 2.40449 -99.83202 846.31924
2220.0000 -103.88964 -98.90120 4.98844 2.48461 -98.83343 895.76146
2225.0000 -104.13257 -98.58978 5.54279 2.50998 -98.51727 939.32204
2230.0000 -103.77137 -98.66116 5.11021 2.51812 -98.41580 931.48705
2235.0000 -104.49102 -98.52860 5.96243 2.51485 -98.45650 891.53808
2240.0000 -104.74753 -100.74350 4.00403 2.46928 -99.02443 912.30617
2245.0000 -104.28559 -99.02798 5.25761 2.35893 -100.39979 809.34015
2250.0000 -103.37068 -98.17298 5.19770 2.46923 -99.02515 900.53205
FREEZING PROCESS: loop number 10 T-loop= 938.00000000000000
main_MD> interactions number 10 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05249 -4.96693 3.37031
force_rgl> df(natom) 0.67479 -0.91105 -1.84757
2255.0000 -101.99787 -97.24553 4.75233 2.63500 -96.95908 998.16790
2260.0000 -104.88030 -99.00899 5.87131 2.54327 -98.10229 955.90113
2265.0000 -105.93851 -100.14877 5.78974 2.39902 -99.90018 862.03307
2270.0000 -104.04187 -99.36784 4.67403 2.41989 -99.64004 875.12422
2275.0000 -103.96314 -99.57467 4.38848 2.50855 -98.53504 916.26544
2280.0000 -104.17375 -98.93660 5.23715 2.43230 -99.48534 853.37532
2285.0000 -104.57444 -99.86575 4.70870 2.44585 -99.31644 887.50318
2290.0000 -104.48680 -98.43851 6.04828 2.41013 -99.76167 872.45248
2295.0000 -103.50132 -98.39899 5.10233 2.56222 -97.86608 975.71822
2300.0000 -103.65346 -98.76533 4.88813 2.51426 -98.46389 924.12162
2305.0000 -105.18607 -99.28021 5.90585 2.48271 -98.85713 922.76184
2310.0000 -102.98768 -97.77463 5.21305 2.49737 -98.67435 898.80741
2315.0000 -104.25384 -99.18489 5.06895 2.51869 -98.40872 926.59030
2320.0000 -104.26433 -99.21930 5.04504 2.42510 -99.57512 851.76109
2325.0000 -104.94872 -99.57160 5.37712 2.40536 -99.82114 854.15496
2330.0000 -103.40934 -98.47051 4.93883 2.50764 -98.54643 902.23382
2335.0000 -104.68066 -99.00651 5.67416 2.51423 -98.46430 908.98289
2340.0000 -103.64725 -97.39661 6.25065 2.56314 -97.85467 1015.50982
2345.0000 -103.90433 -98.76567 5.13867 2.56400 -97.84398 1002.85711
2350.0000 -104.06465 -99.21710 4.84755 2.43196 -99.48966 867.35892
2355.0000 -103.76649 -98.03148 5.73501 2.49209 -98.74015 938.95474
2360.0000 -104.54106 -99.43642 5.10464 2.48784 -98.79314 941.53373
2365.0000 -104.06808 -98.27138 5.79670 2.50176 -98.61966 937.92071
2370.0000 -103.60130 -98.55396 5.04734 2.46557 -99.07076 938.71554
2375.0000 -103.32099 -98.83357 4.48742 2.51416 -98.46510 941.78786
2380.0000 -105.85493 -100.86299 4.99193 2.41178 -99.74116 875.00534
2385.0000 -103.98520 -99.77292 4.21228 2.32944 -100.76739 796.21014
2390.0000 -103.46368 -96.80913 6.65456 2.53991 -98.14416 932.90080
2395.0000 -104.94473 -100.70758 4.23715 2.49705 -98.67838 945.88751
2400.0000 -104.43040 -99.52222 4.90818 2.40484 -99.82757 849.05692
2405.0000 -103.78479 -99.21482 4.56997 2.50097 -98.62955 963.01759
2410.0000 -104.01735 -98.35988 5.65747 2.47017 -99.01343 926.79227
2415.0000 -104.62832 -99.67318 4.95514 2.44817 -99.28753 890.83445
2420.0000 -102.92328 -98.61692 4.30636 2.47853 -98.90922 900.36612
2425.0000 -102.53794 -97.47106 5.06687 2.57518 -97.70461 979.84430
2430.0000 -103.67076 -97.48493 6.18583 2.59344 -97.47699 976.86104
2435.0000 -104.12346 -97.22769 6.89577 2.59434 -97.46584 963.20397
2440.0000 -102.30446 -96.95779 5.34668 2.57592 -97.69538 975.96148
2445.0000 -104.11376 -98.43498 5.67878 2.59113 -97.50585 1011.69802
2450.0000 -105.83395 -101.66308 4.17087 2.34790 -100.53730 830.35201
2455.0000 -103.90741 -98.73348 5.17392 2.34297 -100.59874 779.39883
2460.0000 -104.52401 -100.00127 4.52273 2.43458 -99.45692 871.03589
2465.0000 -103.57094 -98.97348 4.59745 2.45929 -99.14895 906.61016
2470.0000 -104.92465 -100.49310 4.43155 2.47353 -98.97149 916.78751
2475.0000 -104.41897 -99.43180 4.98717 2.42729 -99.54779 900.01470
2480.0000 -104.97494 -100.64139 4.33355 2.36994 -100.26257 849.98363
2485.0000 -105.32174 -100.06246 5.25928 2.36015 -100.38456 838.73340
2490.0000 -103.81612 -99.06688 4.74924 2.48124 -98.87536 891.95368
2495.0000 -105.21699 -100.23436 4.98263 2.39352 -99.96872 811.81250
2500.0000 -105.00541 -99.69986 5.30555 2.40919 -99.77342 885.75317
FREEZING PROCESS: loop number 11 T-loop= 913.00000000000000
main_MD> interactions number 11 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.14710 0.45506 -2.65542
force_rgl> df(natom) 2.62011 -8.43291 1.61492
2505.0000 -104.81872 -99.42368 5.39504 2.42367 -99.59289 855.33254
2510.0000 -104.31421 -99.73941 4.57481 2.41668 -99.68006 872.59757
2515.0000 -104.82076 -100.22713 4.59363 2.39032 -100.00863 850.14031
2520.0000 -103.95198 -99.87718 4.07480 2.42105 -99.62561 842.91785
2525.0000 -103.24137 -97.76401 5.47736 2.50638 -98.56213 919.08175
2530.0000 -104.65229 -100.29448 4.35782 2.47942 -98.89813 949.10126
2535.0000 -105.14848 -100.20084 4.94765 2.29043 -101.25361 765.73019
2540.0000 -105.19515 -99.56404 5.63111 2.38329 -100.09614 867.93133
2545.0000 -104.61990 -99.48357 5.13634 2.42075 -99.62927 873.54649
2550.0000 -105.20335 -99.55321 5.65014 2.45134 -99.24811 904.72335
2555.0000 -103.69329 -99.46253 4.23076 2.46961 -99.02041 936.48549
2560.0000 -103.01119 -97.89910 5.11209 2.47215 -98.98867 917.91250
2565.0000 -104.84051 -99.13784 5.70267 2.51100 -98.50450 954.59787
2570.0000 -103.79357 -98.19322 5.60035 2.48839 -98.78624 941.51237
2575.0000 -103.66325 -97.62607 6.03718 2.53147 -98.24939 988.06201
2580.0000 -103.94556 -98.49626 5.44929 2.49992 -98.64259 919.82138
2585.0000 -104.40961 -99.30921 5.10040 2.45423 -99.21200 895.31031
2590.0000 -105.18797 -100.40920 4.77877 2.38035 -100.13281 823.36239
2595.0000 -103.65030 -99.30304 4.34726 2.42386 -99.59050 870.19883
2600.0000 -103.73556 -99.33366 4.40190 2.42651 -99.55756 891.31820
2605.0000 -103.06305 -99.40482 3.65823 2.42271 -99.60486 828.76404
2610.0000 -103.40593 -97.68178 5.72415 2.50336 -98.59969 901.69858
2615.0000 -105.84618 -100.23152 5.61466 2.45382 -99.21714 881.94997
2620.0000 -105.20720 -99.77983 5.42737 2.43540 -99.44678 886.62273
2625.0000 -104.69799 -99.37259 5.32540 2.37256 -100.22987 810.20627
2630.0000 -104.36094 -99.35538 5.00557 2.43842 -99.40915 911.72834
2635.0000 -104.67849 -98.11016 6.56832 2.48543 -98.82313 910.72901
2640.0000 -104.14210 -97.91175 6.23035 2.59279 -97.48515 1008.05209
2645.0000 -103.03298 -97.83809 5.19489 2.53276 -98.23331 932.66773
2650.0000 -104.25667 -98.79704 5.45963 2.50411 -98.59034 914.91247
2655.0000 -103.39103 -97.26648 6.12455 2.54356 -98.09866 951.18768
2660.0000 -103.84231 -98.08476 5.75755 2.56823 -97.79124 958.52723
2665.0000 -103.80974 -97.81233 5.99742 2.58437 -97.59012 1006.77564
2670.0000 -102.54523 -95.49316 7.05208 2.63162 -97.00115 1051.44352
2675.0000 -103.43382 -97.28731 6.14651 2.64293 -96.86022 1023.12351
2680.0000 -102.03813 -97.43861 4.59951 2.56089 -97.88277 951.23868
2685.0000 -102.91335 -97.29302 5.62033 2.57609 -97.69328 1001.65305
2690.0000 -105.36443 -100.08466 5.27977 2.50764 -98.54642 932.38543
2695.0000 -103.82932 -99.36676 4.46256 2.48677 -98.80644 918.88862
2700.0000 -104.10410 -98.87408 5.23002 2.40520 -99.82310 859.51078
2705.0000 -103.56833 -98.88293 4.68541 2.47665 -98.93257 881.89442
2710.0000 -103.51282 -97.42021 6.09261 2.54522 -98.07805 959.17254
2715.0000 -105.38489 -98.85342 6.53147 2.59199 -97.49512 1022.78832
2720.0000 -104.50365 -99.25463 5.24902 2.49036 -98.76176 921.85834
2725.0000 -105.33837 -99.69751 5.64086 2.44653 -99.30796 871.69456
2730.0000 -102.65137 -98.37864 4.27273 2.47428 -98.96221 922.06634
2735.0000 -104.24989 -98.94467 5.30521 2.54226 -98.11491 960.44116
2740.0000 -103.88105 -98.00500 5.87605 2.51092 -98.50551 939.64876
2745.0000 -104.29473 -99.10235 5.19238 2.49520 -98.70141 915.58004
2750.0000 -103.95179 -99.32389 4.62790 2.44162 -99.36915 884.12356
FREEZING PROCESS: loop number 12 T-loop= 888.00000000000000
main_MD> interactions number 12 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.28513 0.63590 -1.84434
force_rgl> df(natom) -1.00037 1.29232 0.74601
2755.0000 -106.18110 -101.94904 4.23205 2.40382 -99.84030 879.96530
2760.0000 -104.61899 -101.22147 3.39752 2.28775 -101.28693 762.91859
2765.0000 -104.59140 -98.45818 6.13322 2.39564 -99.94222 829.33864
2770.0000 -103.45161 -96.87792 6.57370 2.58275 -97.61032 998.10963
2775.0000 -104.13218 -99.03622 5.09596 2.57037 -97.76461 991.95428
2780.0000 -103.70041 -98.57044 5.12997 2.48664 -98.80814 920.88091
2785.0000 -104.63143 -99.35030 5.28113 2.49232 -98.73734 965.32691
2790.0000 -103.95615 -98.94180 5.01435 2.45060 -99.25734 882.26406
2795.0000 -104.81885 -99.78779 5.03105 2.44918 -99.27493 929.50700
2800.0000 -105.27553 -101.26653 4.00901 2.42179 -99.61633 847.84235
2805.0000 -104.67617 -100.33425 4.34193 2.33244 -100.73001 768.07313
2810.0000 -105.44379 -99.89938 5.54440 2.34416 -100.58384 840.49370
2815.0000 -104.52441 -100.25961 4.26480 2.43022 -99.51126 848.44255
2820.0000 -104.76648 -100.71414 4.05234 2.33760 -100.66564 758.81202
2825.0000 -104.50462 -99.15698 5.34764 2.38103 -100.12436 810.45336
2830.0000 -105.10225 -100.67378 4.42847 2.37869 -100.15353 851.19013
2835.0000 -105.10717 -100.02288 5.08429 2.36299 -100.34925 804.05498
2840.0000 -104.16729 -99.09422 5.07307 2.37166 -100.24116 810.74775
2845.0000 -104.83743 -98.47494 6.36249 2.49910 -98.65277 923.48577
2850.0000 -103.68827 -98.36572 5.32255 2.51982 -98.39456 960.91972
2855.0000 -102.35349 -96.73435 5.61914 2.63065 -97.01332 1025.39255
2860.0000 -105.41415 -100.29048 5.12367 2.53733 -98.17636 961.75650
2865.0000 -105.01137 -100.24599 4.76538 2.33594 -100.68629 802.00885
2870.0000 -105.43874 -100.54897 4.88977 2.38188 -100.11372 872.71132
2875.0000 -105.60333 -100.05197 5.55135 2.37704 -100.17407 873.84800
2880.0000 -104.92539 -100.18239 4.74300 2.39051 -100.00622 867.46987
2885.0000 -105.54781 -101.32579 4.22201 2.33359 -100.71564 828.04709
2890.0000 -104.18861 -99.06441 5.12421 2.42025 -99.63557 861.59464
2895.0000 -104.02459 -98.93288 5.09171 2.53074 -98.25850 925.81944
2900.0000 -104.00355 -99.58495 4.41860 2.47434 -98.96143 921.41514
2905.0000 -103.74207 -98.81099 4.93108 2.43728 -99.42329 893.76861
2910.0000 -103.35020 -97.54330 5.80690 2.56327 -97.85302 923.52731
2915.0000 -104.04030 -98.20690 5.83340 2.50075 -98.63225 916.50384
2920.0000 -104.13954 -99.44598 4.69357 2.46587 -99.06700 908.28421
2925.0000 -104.01492 -99.11530 4.89962 2.45697 -99.17794 931.33753
2930.0000 -104.80886 -99.30857 5.50029 2.49739 -98.67418 902.14863
2935.0000 -103.96523 -99.84739 4.11784 2.43248 -99.48307 875.14172
2940.0000 -103.14901 -98.15958 4.98943 2.47782 -98.91803 901.46248
2945.0000 -104.18589 -100.15343 4.03246 2.45859 -99.15770 876.42501
2950.0000 -103.38654 -99.25600 4.13054 2.37358 -100.21719 794.36215
2955.0000 -105.41963 -100.55553 4.86410 2.43253 -99.48246 876.12095
2960.0000 -104.47694 -99.24742 5.22952 2.40030 -99.88419 855.60433
2965.0000 -106.28160 -101.14394 5.13765 2.43448 -99.45821 865.48589
2970.0000 -104.07809 -98.28738 5.79070 2.38662 -100.05467 844.46674
2975.0000 -104.03948 -99.17820 4.86127 2.55311 -97.97973 973.55074
2980.0000 -104.62597 -98.72762 5.89835 2.44658 -99.30737 886.28436
2985.0000 -105.35594 -98.23567 7.12027 2.49189 -98.74269 940.04303
2990.0000 -102.27170 -98.25101 4.02069 2.42352 -99.59484 857.94646
2995.0000 -104.09743 -99.10576 4.99167 2.53052 -98.26126 945.17429
3000.0000 -104.55344 -98.64917 5.90427 2.48303 -98.85310 936.12363
FREEZING PROCESS: loop number 13 T-loop= 863.00000000000000
main_MD> interactions number 13 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03046 -0.04235 3.35476
force_rgl> df(natom) -2.68879 -1.83435 -4.46645
3005.0000 -105.51800 -100.88223 4.63577 2.38408 -100.08634 865.88569
3010.0000 -104.10436 -99.85252 4.25183 2.44991 -99.26589 878.37688
3015.0000 -105.24077 -100.56967 4.67110 2.36098 -100.37426 796.71376
3020.0000 -104.80735 -100.03976 4.76759 2.36520 -100.32171 844.17587
3025.0000 -105.37147 -100.30775 5.06372 2.34016 -100.63376 804.64932
3030.0000 -103.67709 -99.63187 4.04523 2.38036 -100.13270 814.53389
3035.0000 -104.19708 -98.70426 5.49282 2.44456 -99.33252 854.40944
3040.0000 -103.05364 -97.86106 5.19258 2.47573 -98.94407 864.97457
3045.0000 -104.36567 -99.07452 5.29115 2.54990 -98.01971 960.02399
3050.0000 -104.53554 -99.08379 5.45175 2.47226 -98.98739 891.94003
3055.0000 -103.86156 -98.15047 5.71108 2.56868 -97.78559 964.90185
3060.0000 -105.16068 -100.45603 4.70465 2.42247 -99.60787 882.07350
3065.0000 -105.75473 -100.13318 5.62154 2.35131 -100.49476 821.55891
3070.0000 -105.14649 -100.39449 4.75200 2.42968 -99.51799 867.76328
3075.0000 -103.92135 -99.24116 4.68019 2.35790 -100.41266 821.90179
3080.0000 -105.47259 -100.75136 4.72123 2.37708 -100.17358 838.33310
3085.0000 -105.27767 -99.38653 5.89114 2.38783 -100.03966 850.96649
3090.0000 -105.19885 -100.20327 4.99558 2.37504 -100.19908 849.16104
3095.0000 -104.10319 -99.61433 4.48885 2.40154 -99.86874 853.75012
3100.0000 -104.59536 -99.29996 5.29540 2.43141 -99.49646 878.41854
3105.0000 -103.53560 -98.65697 4.87863 2.45189 -99.24117 865.95201
3110.0000 -104.75310 -99.59550 5.15759 2.46426 -99.08698 867.88506
3115.0000 -105.22062 -101.39640 3.82421 2.39691 -99.92640 861.84762
3120.0000 -105.93244 -102.80771 3.12473 2.24639 -101.80239 746.56711
3125.0000 -105.68992 -101.44967 4.24024 2.24067 -101.87370 745.18583
3130.0000 -104.50467 -99.94019 4.56448 2.31462 -100.95210 779.82764
3135.0000 -106.24713 -101.57911 4.66802 2.31678 -100.92510 783.07573
3140.0000 -105.01023 -100.50894 4.50130 2.32668 -100.80175 804.86271
3145.0000 -104.56788 -99.48679 5.08109 2.39483 -99.95231 833.44259
3150.0000 -104.41678 -98.55887 5.85791 2.46502 -99.07762 913.28883
3155.0000 -104.16491 -98.20110 5.96381 2.42968 -99.51805 883.50516
3160.0000 -104.62595 -99.78947 4.83649 2.44299 -99.35208 858.56052
3165.0000 -105.03702 -100.31461 4.72241 2.39214 -99.98586 861.94399
3170.0000 -105.17919 -100.06542 5.11377 2.38907 -100.02419 886.78807
3175.0000 -105.11260 -100.37162 4.74098 2.39347 -99.96936 805.20195
3180.0000 -105.07631 -99.90201 5.17430 2.36325 -100.34592 830.53620
3185.0000 -103.63422 -99.72654 3.90769 2.45374 -99.21811 902.00894
3190.0000 -103.51104 -99.79686 3.71418 2.40061 -99.88032 813.73112
3195.0000 -103.51353 -99.13938 4.37415 2.42084 -99.62826 832.89737
3200.0000 -104.31466 -99.90943 4.40523 2.44118 -99.37469 881.51289
3205.0000 -104.75563 -99.73772 5.01791 2.38612 -100.06088 841.39353
3210.0000 -105.08382 -100.99677 4.08706 2.42162 -99.61844 855.13557
3215.0000 -104.92795 -99.96699 4.96096 2.33781 -100.66306 775.32874
3220.0000 -104.67833 -98.87596 5.80237 2.43373 -99.46754 894.93760
3225.0000 -104.49055 -99.89831 4.59225 2.44427 -99.33613 899.18221
3230.0000 -105.23213 -99.67740 5.55473 2.45660 -99.18256 870.78845
3235.0000 -104.49906 -99.95381 4.54524 2.45740 -99.17248 885.51592
3240.0000 -104.85071 -99.99191 4.85881 2.37936 -100.14522 825.69806
3245.0000 -104.74702 -99.85432 4.89270 2.42524 -99.57331 868.84289
3250.0000 -104.96753 -100.83775 4.12978 2.35697 -100.42423 833.36634
FREEZING PROCESS: loop number 14 T-loop= 838.00000000000000
main_MD> interactions number 14 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.59703 6.50536 -3.90125
force_rgl> df(natom) -1.03573 5.85466 -2.51128
3255.0000 -105.20341 -100.55251 4.65090 2.31111 -100.99586 797.17316
3260.0000 -105.16786 -99.84520 5.32266 2.39803 -99.91247 873.31146
3265.0000 -105.28453 -100.20653 5.07801 2.38009 -100.13611 850.31071
3270.0000 -105.46528 -100.56009 4.90520 2.37836 -100.15760 846.80116
3275.0000 -104.61555 -100.58825 4.02729 2.30881 -101.02450 762.40668
3280.0000 -104.07558 -99.82433 4.25125 2.41171 -99.74203 781.43436
3285.0000 -105.60361 -101.19300 4.41062 2.36120 -100.37146 789.01308
3290.0000 -105.52626 -99.91929 5.60697 2.34540 -100.56847 801.33367
3295.0000 -105.38159 -100.96311 4.41848 2.38408 -100.08641 844.83335
3300.0000 -105.23857 -101.64400 3.59458 2.30825 -101.03139 790.78725
3305.0000 -105.90390 -101.50816 4.39573 2.30417 -101.08226 786.70007
3310.0000 -105.09543 -101.58248 3.51295 2.31107 -100.99626 772.41869
3315.0000 -104.54072 -99.98557 4.55515 2.26609 -101.55687 721.08691
3320.0000 -104.62444 -100.76931 3.85513 2.36607 -100.31081 819.36594
3325.0000 -105.78200 -101.33879 4.44321 2.32193 -100.86095 782.92439
3330.0000 -104.02186 -100.01593 4.00592 2.34904 -100.52308 790.82263
3335.0000 -103.79182 -99.60181 4.19002 2.38101 -100.12463 779.36716
3340.0000 -105.95122 -101.82253 4.12869 2.34985 -100.51292 826.29959
3345.0000 -104.66724 -100.32503 4.34220 2.34222 -100.60812 847.08553
3350.0000 -105.67146 -100.87485 4.79661 2.32629 -100.80661 805.68778
3355.0000 -105.59871 -100.69636 4.90234 2.38039 -100.13231 848.76880
3360.0000 -104.41924 -99.71651 4.70273 2.35609 -100.43524 817.70950
3365.0000 -105.02750 -99.89348 5.13402 2.49708 -98.67793 915.59142
3370.0000 -105.10117 -100.80515 4.29602 2.42417 -99.58666 886.01680
3375.0000 -103.83867 -99.73563 4.10304 2.38603 -100.06199 816.64514
3380.0000 -105.45077 -100.13609 5.31468 2.41160 -99.74342 896.50050
3385.0000 -105.36700 -100.57544 4.79156 2.38829 -100.03383 887.47324
3390.0000 -106.58207 -101.68647 4.89560 2.31309 -100.97116 795.02615
3395.0000 -105.27588 -100.71906 4.55682 2.36068 -100.37795 844.82877
3400.0000 -105.89762 -101.14469 4.75293 2.37749 -100.16849 881.79214
3405.0000 -105.21373 -100.89297 4.32076 2.28191 -101.35980 745.02935
3410.0000 -106.45436 -101.69921 4.75514 2.32401 -100.83497 794.77099
3415.0000 -104.61093 -99.41302 5.19791 2.36104 -100.37355 819.72120
3420.0000 -104.97734 -99.93095 5.04638 2.40348 -99.84453 853.42910
3425.0000 -105.14029 -101.02469 4.11559 2.41836 -99.65907 860.19493
3430.0000 -104.60689 -99.34700 5.25989 2.34877 -100.52641 797.43280
3435.0000 -104.12693 -99.40698 4.71995 2.43970 -99.39320 882.39579
3440.0000 -105.85483 -100.82670 5.02813 2.35730 -100.42016 787.35138
3445.0000 -105.53385 -100.19405 5.33980 2.33371 -100.71411 799.73392
3450.0000 -104.58175 -100.06558 4.51617 2.37628 -100.18357 822.66755
3455.0000 -104.85814 -100.12142 4.73672 2.38536 -100.07044 835.73153
3460.0000 -105.23145 -99.42425 5.80721 2.37666 -100.17877 820.71733
3465.0000 -105.82270 -99.83673 5.98597 2.42443 -99.58345 846.78458
3470.0000 -104.63620 -100.30284 4.33336 2.38807 -100.03662 812.37383
3475.0000 -105.18460 -100.83134 4.35326 2.32795 -100.78598 763.37930
3480.0000 -104.77752 -99.44340 5.33412 2.33514 -100.69625 816.73561
3485.0000 -103.77865 -99.19266 4.58599 2.40734 -99.79642 825.11545
3490.0000 -105.22828 -101.26339 3.96489 2.37457 -100.20492 831.54203
3495.0000 -104.79402 -100.69273 4.10129 2.35798 -100.41162 802.24815
3500.0000 -103.99611 -98.94723 5.04888 2.39587 -99.93935 842.75387
FREEZING PROCESS: loop number 15 T-loop= 813.00000000000000
main_MD> interactions number 15 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45645 0.35104 -1.66551
force_rgl> df(natom) -1.55635 0.16118 -0.24642
3505.0000 -105.00485 -100.47686 4.52799 2.36537 -100.31956 848.28818
3510.0000 -106.35982 -101.21848 5.14134 2.27945 -101.39035 752.55557
3515.0000 -106.21251 -101.24510 4.96740 2.31603 -100.93450 805.51604
3520.0000 -105.55866 -100.44226 5.11640 2.33934 -100.64391 824.62354
3525.0000 -106.41135 -101.55776 4.85359 2.31284 -100.97428 768.71682
3530.0000 -105.95064 -100.64094 5.30970 2.26430 -101.57919 767.31982
3535.0000 -105.29599 -101.07484 4.22114 2.31134 -100.99292 773.81060
3540.0000 -104.73337 -100.98238 3.75099 2.32183 -100.86219 776.20841
3545.0000 -103.84255 -98.23279 5.60976 2.42158 -99.61898 862.32631
3550.0000 -105.17614 -99.85907 5.31706 2.45369 -99.21884 887.37260
3555.0000 -104.79547 -99.11640 5.67907 2.42450 -99.58259 859.24164
3560.0000 -103.85689 -98.77130 5.08559 2.44920 -99.27470 864.47167
3565.0000 -102.87035 -98.84082 4.02953 2.47950 -98.89709 881.97428
3570.0000 -104.30611 -99.25638 5.04973 2.45783 -99.16720 898.47985
3575.0000 -105.98696 -102.00376 3.98321 2.34057 -100.62863 789.84321
3580.0000 -106.12068 -101.23965 4.88104 2.24737 -101.79020 749.44763
3585.0000 -106.15548 -100.99738 5.15810 2.26741 -101.54041 732.23003
3590.0000 -103.86816 -99.12957 4.73859 2.37048 -100.25584 829.35208
3595.0000 -103.62642 -99.71005 3.91637 2.47838 -98.91102 876.92660
3600.0000 -102.92077 -98.63495 4.28582 2.43582 -99.44144 864.49178
3605.0000 -105.54684 -100.99947 4.54737 2.40057 -99.88086 805.25447
3610.0000 -106.85366 -101.20646 5.64721 2.25230 -101.72882 746.92852
3615.0000 -104.60688 -100.60591 4.00097 2.32486 -100.82444 769.62125
3620.0000 -104.98257 -100.41462 4.56795 2.35207 -100.48528 815.88463
3625.0000 -105.73154 -100.53911 5.19244 2.37509 -100.19835 865.07739
3630.0000 -104.14834 -99.64456 4.50378 2.39968 -99.89191 844.06601
3635.0000 -105.16738 -100.17342 4.99396 2.46822 -99.03765 906.22163
3640.0000 -105.93351 -101.55144 4.38207 2.30162 -101.11406 769.79534
3645.0000 -105.00671 -99.94146 5.06526 2.31639 -100.92998 790.83682
3650.0000 -105.20859 -99.68280 5.52579 2.37795 -100.16273 851.98351
3655.0000 -104.23054 -99.17092 5.05963 2.48680 -98.80610 905.51110
3660.0000 -105.31257 -99.70402 5.60855 2.42820 -99.53647 833.15460
3665.0000 -105.97035 -101.41837 4.55198 2.34066 -100.62747 806.45160
3670.0000 -105.15940 -100.37594 4.78346 2.33955 -100.64134 808.56173
3675.0000 -105.53692 -101.41120 4.12573 2.29054 -101.25220 752.11912
3680.0000 -106.53264 -101.12117 5.41147 2.30055 -101.12737 803.45133
3685.0000 -104.98647 -100.31014 4.67633 2.37111 -100.24804 844.80288
3690.0000 -105.06012 -101.62869 3.43143 2.30250 -101.10308 740.79278
3695.0000 -105.35658 -100.20467 5.15191 2.29623 -101.18130 781.93916
3700.0000 -103.80137 -98.72698 5.07439 2.41995 -99.63925 845.90950
3705.0000 -104.78449 -99.78768 4.99681 2.45039 -99.25990 897.54626
3710.0000 -105.73463 -100.69869 5.03595 2.35826 -100.40822 804.53993
3715.0000 -105.16171 -100.04113 5.12058 2.39033 -100.00849 815.64634
3720.0000 -104.26843 -99.00136 5.26707 2.45514 -99.20065 854.26335
3725.0000 -105.21196 -99.71870 5.49325 2.40002 -99.88767 838.37416
3730.0000 -105.17291 -100.29929 4.87362 2.40382 -99.84038 869.11385
3735.0000 -104.79929 -100.34496 4.45433 2.31193 -100.98554 784.46760
3740.0000 -104.47996 -100.45661 4.02335 2.34854 -100.52935 807.37572
3745.0000 -104.11129 -99.87271 4.23858 2.37025 -100.25875 802.19511
3750.0000 -105.16142 -100.17599 4.98543 2.41613 -99.68696 859.96817
FREEZING PROCESS: loop number 16 T-loop= 788.00000000000000
main_MD> interactions number 16 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.96561 -1.59990 -1.38476
force_rgl> df(natom) -5.93648 -1.69623 -3.12399
3755.0000 -104.90656 -99.94973 4.95683 2.40463 -99.83023 814.87882
3760.0000 -104.90691 -100.56814 4.33878 2.40066 -99.87967 823.12385
3765.0000 -104.72520 -99.69933 5.02587 2.39278 -99.97788 866.95770
3770.0000 -104.37096 -100.38636 3.98459 2.38514 -100.07312 847.20838
3775.0000 -104.60160 -100.49042 4.11119 2.34155 -100.61636 824.96647
3780.0000 -104.17100 -99.15238 5.01862 2.39944 -99.89493 882.91279
3785.0000 -104.00041 -99.04977 4.95064 2.45928 -99.14907 896.13552
3790.0000 -104.09159 -100.49199 3.59960 2.39209 -99.98653 825.21635
3795.0000 -104.05878 -100.50825 3.55053 2.35960 -100.39147 828.30623
3800.0000 -104.36342 -98.97714 5.38629 2.44726 -99.29887 862.55409
3805.0000 -103.54886 -99.55861 3.99025 2.44638 -99.30984 868.42762
3810.0000 -105.39221 -101.54854 3.84367 2.34079 -100.62590 785.08888
3815.0000 -106.63905 -101.98349 4.65556 2.28016 -101.38153 772.56801
3820.0000 -104.56175 -100.61961 3.94214 2.29477 -101.19947 751.12603
3825.0000 -105.29111 -100.47158 4.81953 2.35209 -100.48503 779.90305
3830.0000 -104.61439 -100.58323 4.03116 2.33087 -100.74947 788.28265
3835.0000 -104.48016 -99.61377 4.86639 2.32401 -100.83502 820.73969
3840.0000 -106.21421 -101.53009 4.68412 2.33460 -100.70301 787.06233
3845.0000 -104.68821 -99.58798 5.10023 2.35312 -100.47219 806.56356
3850.0000 -103.78287 -99.50561 4.27726 2.44619 -99.31230 859.69962
3855.0000 -105.64776 -100.02918 5.61858 2.36592 -100.31273 821.89578
3860.0000 -105.64530 -100.75739 4.88791 2.38151 -100.11843 860.19269
3865.0000 -105.30742 -101.28719 4.02024 2.26445 -101.57736 737.32362
3870.0000 -105.90176 -101.15297 4.74879 2.31947 -100.89166 766.94836
3875.0000 -104.69278 -100.11669 4.57609 2.37771 -100.16578 821.25481
3880.0000 -106.13026 -100.56378 5.56649 2.36938 -100.26957 827.70278
3885.0000 -106.30782 -101.21062 5.09721 2.31361 -100.96469 795.74741
3890.0000 -105.52526 -101.60033 3.92493 2.25680 -101.67270 748.92402
3895.0000 -104.25389 -99.38065 4.87324 2.32294 -100.84840 775.23391
3900.0000 -104.11822 -100.19152 3.92670 2.41312 -99.72439 823.32365
3905.0000 -105.12250 -100.83927 4.28322 2.35017 -100.50905 816.62219
3910.0000 -105.59410 -100.24292 5.35117 2.28919 -101.26905 760.06475
3915.0000 -104.91427 -100.13761 4.77666 2.32662 -100.80245 758.43793
3920.0000 -104.30106 -99.86342 4.43764 2.37686 -100.17639 834.59552
3925.0000 -105.21749 -99.78996 5.42753 2.44546 -99.32129 902.67883
3930.0000 -105.14006 -100.20445 4.93561 2.37806 -100.16139 818.11837
3935.0000 -105.01442 -100.49189 4.52253 2.36981 -100.26427 796.04514
3940.0000 -105.11699 -100.48834 4.62865 2.33441 -100.70544 793.05160
3945.0000 -104.58396 -99.21633 5.36763 2.35834 -100.40713 786.17369
3950.0000 -106.21836 -101.68759 4.53078 2.37019 -100.25948 850.91131
3955.0000 -106.76290 -102.96190 3.80099 2.16159 -102.85938 663.39364
3960.0000 -106.05660 -101.41339 4.64321 2.17185 -102.73148 689.86528
3965.0000 -106.19667 -101.57905 4.61762 2.25393 -101.70848 772.39343
3970.0000 -106.04477 -101.82390 4.22087 2.28246 -101.35290 794.67960
3975.0000 -104.82696 -101.30735 3.51960 2.27241 -101.47808 745.20065
3980.0000 -104.11598 -99.93534 4.18064 2.38723 -100.04709 818.33341
3985.0000 -105.05255 -100.32642 4.72613 2.38877 -100.02794 826.21455
3990.0000 -104.80853 -100.53857 4.26995 2.36246 -100.35579 822.29146
3995.0000 -104.60285 -100.04579 4.55707 2.31846 -100.90420 765.21845
4000.0000 -104.83606 -100.46358 4.37247 2.35589 -100.43770 812.11464
FREEZING PROCESS: loop number 17 T-loop= 763.00000000000000
main_MD> interactions number 17 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90481 5.96334 3.29528
force_rgl> df(natom) -1.49786 -0.35700 -0.53529
4005.0000 -104.49154 -100.65203 3.83951 2.32074 -100.87575 788.10536
4010.0000 -104.70440 -100.19854 4.50586 2.37429 -100.20832 839.18246
4015.0000 -104.94822 -100.73764 4.21058 2.36830 -100.28298 813.46040
4020.0000 -104.69321 -99.39555 5.29767 2.36073 -100.37733 824.93894
4025.0000 -103.84179 -99.29702 4.54477 2.44151 -99.37060 882.56827
4030.0000 -104.13179 -100.41468 3.71711 2.35428 -100.45773 804.48256
4035.0000 -105.30039 -101.21828 4.08211 2.33507 -100.69724 767.93069
4040.0000 -105.76982 -101.02029 4.74953 2.27973 -101.38689 763.70969
4045.0000 -105.63214 -101.30732 4.32482 2.33145 -100.74234 794.88175
4050.0000 -106.34012 -101.56821 4.77191 2.26175 -101.61099 750.57138
4055.0000 -106.21816 -101.12938 5.08878 2.29346 -101.21582 777.74402
4060.0000 -105.09190 -100.85023 4.24166 2.37312 -100.22297 806.40778
4065.0000 -105.83495 -101.91385 3.92109 2.31932 -100.89346 776.53250
4070.0000 -105.63568 -101.66962 3.96605 2.25054 -101.75065 743.02168
4075.0000 -107.19074 -102.58475 4.60598 2.22656 -102.04958 726.31381
4080.0000 -106.90160 -102.01870 4.88289 2.19129 -102.48919 665.80904
4085.0000 -105.83350 -101.39711 4.43640 2.23453 -101.95020 722.59950
4090.0000 -105.77540 -101.35989 4.41552 2.28538 -101.31643 764.45095
4095.0000 -104.72140 -99.30591 5.41549 2.31343 -100.96691 785.41360
4100.0000 -105.56541 -101.20771 4.35769 2.30884 -101.02414 805.05657
4105.0000 -105.19438 -101.29790 3.89648 2.27357 -101.46364 735.55479
4110.0000 -105.21898 -100.81160 4.40738 2.26123 -101.61751 731.11649
4115.0000 -105.73826 -100.99839 4.73987 2.29600 -101.18414 774.03474
4120.0000 -105.81297 -102.04181 3.77116 2.27444 -101.45285 745.06130
4125.0000 -105.87556 -102.06105 3.81451 2.20946 -102.26265 684.87472
4130.0000 -105.34300 -101.78527 3.55773 2.25395 -101.70823 724.75215
4135.0000 -106.12278 -100.88027 5.24252 2.27509 -101.44469 744.87318
4140.0000 -106.14221 -101.73658 4.40563 2.32821 -100.78266 771.01962
4145.0000 -105.65602 -101.38215 4.27388 2.25264 -101.72450 741.26982
4150.0000 -105.51301 -101.20730 4.30571 2.28381 -101.33608 765.11561
4155.0000 -104.66415 -99.56572 5.09842 2.32647 -100.80438 770.12150
4160.0000 -105.07922 -100.80215 4.27707 2.37166 -100.24120 835.36921
4165.0000 -104.72588 -100.50588 4.22000 2.34087 -100.62488 813.12934
4170.0000 -105.29644 -100.83383 4.46261 2.33935 -100.64379 802.50930
4175.0000 -105.49828 -101.99255 3.50573 2.30915 -101.02027 787.24510
4180.0000 -105.98847 -101.78220 4.20627 2.21119 -102.24118 694.94765
4185.0000 -106.21936 -102.66099 3.55837 2.26282 -101.59760 746.62102
4190.0000 -105.72863 -101.32515 4.40348 2.19983 -102.38270 657.47272
4195.0000 -105.39242 -101.25834 4.13408 2.27815 -101.40663 752.79241
4200.0000 -104.70405 -100.57774 4.12631 2.33690 -100.67432 748.99677
4205.0000 -105.67300 -100.99303 4.67997 2.33878 -100.65100 791.96938
4210.0000 -104.88608 -100.78466 4.10142 2.36955 -100.26745 814.18517
4215.0000 -106.08670 -102.71289 3.37380 2.26345 -101.58986 728.35383
4220.0000 -106.77211 -102.29503 4.47709 2.17418 -102.70244 653.33539
4225.0000 -105.57513 -101.21742 4.35772 2.21947 -102.13793 725.73884
4230.0000 -104.61626 -99.86130 4.75496 2.30547 -101.06613 783.70201
4235.0000 -105.52109 -100.59194 4.92915 2.33269 -100.72690 796.80081
4240.0000 -106.08721 -102.71756 3.36965 2.29475 -101.19973 746.14765
4245.0000 -106.09674 -101.86529 4.23145 2.22783 -102.03377 714.91816
4250.0000 -105.07700 -101.14894 3.92806 2.31231 -100.98080 772.45905
FREEZING PROCESS: loop number 18 T-loop= 738.00000000000000
main_MD> interactions number 18 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.58630 -1.53461 0.63579
force_rgl> df(natom) 2.66768 2.63494 0.75995
4255.0000 -106.41312 -102.00340 4.40972 2.23780 -101.90947 736.21308
4260.0000 -105.56448 -101.62749 3.93699 2.27942 -101.39080 782.66541
4265.0000 -106.06728 -101.60071 4.46658 2.26888 -101.52212 709.87966
4270.0000 -106.21903 -102.04869 4.17033 2.25355 -101.71314 717.73337
4275.0000 -106.01315 -101.57576 4.43740 2.24573 -101.81066 734.48542
4280.0000 -106.15456 -102.05792 4.09664 2.23231 -101.97789 729.76693
4285.0000 -105.89167 -102.13935 3.75232 2.21178 -102.23382 697.61787
4290.0000 -107.08608 -103.00693 4.07915 2.18797 -102.53058 680.38884
4295.0000 -106.09023 -102.22789 3.86235 2.15407 -102.95306 660.93554
4300.0000 -105.13164 -100.68109 4.45055 2.28097 -101.37149 765.35189
4305.0000 -105.85743 -102.66123 3.19620 2.27512 -101.44436 728.41727
4310.0000 -107.24665 -103.96926 3.27738 2.16597 -102.80475 663.87702
4315.0000 -104.85123 -101.18592 3.66531 2.22695 -102.04467 738.93348
4320.0000 -105.81637 -100.13261 5.68377 2.33930 -100.64446 810.80962
4325.0000 -105.91679 -102.16695 3.74985 2.29468 -101.20062 768.29744
4330.0000 -106.10786 -101.35533 4.75252 2.25776 -101.66073 756.98212
4335.0000 -105.70286 -101.64817 4.05469 2.25838 -101.65297 789.44537
4340.0000 -105.52034 -101.38852 4.13181 2.29502 -101.19628 779.98829
4345.0000 -104.79293 -100.41952 4.37341 2.34218 -100.60859 825.40242
4350.0000 -105.95038 -100.92454 5.02584 2.34565 -100.56533 794.69918
4355.0000 -104.94333 -101.24907 3.69425 2.27512 -101.44433 760.83461
4360.0000 -105.41745 -101.12551 4.29194 2.31365 -100.96417 768.01384
4365.0000 -104.84934 -101.27101 3.57833 2.30647 -101.05363 752.04078
4370.0000 -105.97011 -101.70874 4.26137 2.32338 -100.84283 782.56768
4375.0000 -105.38550 -100.42678 4.95872 2.29908 -101.14575 744.51493
4380.0000 -105.27949 -100.88601 4.39348 2.36809 -100.28568 799.73948
4385.0000 -105.48240 -101.28131 4.20109 2.30892 -101.02306 781.73533
4390.0000 -106.10432 -102.01037 4.09395 2.23529 -101.94083 699.83633
4395.0000 -106.17954 -101.61372 4.56582 2.23777 -101.90991 735.19012
4400.0000 -105.98303 -102.55721 3.42582 2.25902 -101.64500 751.94364
4405.0000 -105.60253 -102.25108 3.35145 2.18449 -102.57386 691.93141
4410.0000 -105.13186 -101.86350 3.26836 2.25041 -101.75231 711.46554
4415.0000 -105.61487 -101.19373 4.42114 2.25365 -101.71201 754.37413
4420.0000 -106.20175 -102.09552 4.10623 2.28093 -101.37193 753.96361
4425.0000 -105.16316 -100.65575 4.50741 2.33080 -100.75037 783.57310
4430.0000 -105.42485 -101.33837 4.08648 2.35266 -100.47796 827.81374
4435.0000 -105.65326 -102.06342 3.58984 2.25183 -101.73465 715.09650
4440.0000 -105.19416 -101.13897 4.05519 2.31989 -100.88638 750.52914
4445.0000 -105.17414 -101.42407 3.75007 2.28751 -101.28989 753.18844
4450.0000 -106.00229 -101.78729 4.21500 2.25168 -101.73655 747.06761
4455.0000 -107.58530 -102.90272 4.68259 2.18150 -102.61121 689.18763
4460.0000 -105.57713 -101.63823 3.93891 2.20061 -102.37306 703.50290
4465.0000 -106.38391 -102.10932 4.27459 2.25765 -101.66209 721.88653
4470.0000 -105.96875 -101.89221 4.07654 2.22605 -102.05595 704.48451
4475.0000 -107.01410 -102.88488 4.12922 2.19622 -102.42774 707.74765
4480.0000 -106.61809 -103.09277 3.52532 2.16936 -102.76252 677.35978
4485.0000 -105.54118 -101.50902 4.03216 2.16662 -102.79664 664.79740
4490.0000 -104.73822 -99.85732 4.88090 2.34252 -100.60427 798.87841
4495.0000 -105.33437 -100.25482 5.07955 2.41983 -99.64082 856.47713
4500.0000 -105.75595 -101.75001 4.00594 2.29433 -101.20493 744.37130
FREEZING PROCESS: loop number 19 T-loop= 713.00000000000000
main_MD> interactions number 19 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.00338 -3.27059 -1.63466
force_rgl> df(natom) -1.19319 -1.14751 -1.18080
4505.0000 -105.03812 -101.13438 3.90373 2.26658 -101.55080 726.89412
4510.0000 -105.09587 -101.73807 3.35779 2.29389 -101.21040 726.55510
4515.0000 -107.10434 -102.14331 4.96103 2.20328 -102.33976 643.48747
4520.0000 -106.59256 -102.50684 4.08572 2.21227 -102.22770 713.29782
4525.0000 -106.43623 -102.35237 4.08386 2.21788 -102.15774 717.71831
4530.0000 -106.19584 -102.10174 4.09410 2.23397 -101.95721 732.09321
4535.0000 -105.71605 -101.31391 4.40214 2.24262 -101.84944 749.31275
4540.0000 -105.55495 -101.01059 4.54435 2.24479 -101.82234 760.37894
4545.0000 -106.84962 -102.39260 4.45703 2.27068 -101.49964 753.85246
4550.0000 -106.39896 -102.69301 3.70595 2.20357 -102.33609 694.02640
4555.0000 -106.45097 -102.78195 3.66902 2.21668 -102.17275 720.27902
4560.0000 -107.80758 -103.06880 4.73878 2.21000 -102.25600 678.66615
4565.0000 -106.32633 -102.37379 3.95254 2.17489 -102.69357 682.13287
4570.0000 -106.60004 -102.96425 3.63580 2.18029 -102.62630 722.86239
4575.0000 -107.93107 -104.20544 3.72564 2.14406 -103.07778 651.01160
4580.0000 -106.34184 -103.22324 3.11859 2.13028 -103.24951 640.35567
4585.0000 -106.41897 -102.68760 3.73136 2.17967 -102.63396 666.35171
4590.0000 -107.42799 -103.52340 3.90460 2.15512 -102.93998 647.93784
4595.0000 -106.92791 -103.58732 3.34058 2.13942 -103.13568 610.13802
4600.0000 -107.21891 -103.85582 3.36309 2.06284 -104.09011 586.21743
4605.0000 -106.58759 -103.08503 3.50257 2.10544 -103.55910 611.62276
4610.0000 -106.08460 -102.69921 3.38539 2.18127 -102.61403 648.16187
4615.0000 -106.50457 -102.02301 4.48156 2.20951 -102.26203 684.17400
4620.0000 -106.75199 -102.23642 4.51558 2.22482 -102.07124 731.01614
4625.0000 -105.49610 -101.81058 3.68551 2.21977 -102.13419 697.77130
4630.0000 -105.07365 -101.21997 3.85368 2.20686 -102.29508 702.25534
4635.0000 -105.44514 -101.34598 4.09916 2.28721 -101.29363 782.10428
4640.0000 -106.42112 -101.74553 4.67558 2.27708 -101.41995 771.36601
4645.0000 -106.66030 -102.63252 4.02778 2.22843 -102.02626 732.86970
4650.0000 -107.14447 -102.50144 4.64303 2.15681 -102.91896 670.37481
4655.0000 -105.71759 -101.64506 4.07253 2.22249 -102.10025 696.72652
4660.0000 -106.05244 -101.69447 4.35797 2.25110 -101.74368 741.69004
4665.0000 -106.81686 -103.25380 3.56305 2.21474 -102.19684 697.52322
4670.0000 -105.49079 -102.48075 3.01004 2.18580 -102.55757 634.80598
4675.0000 -106.60206 -102.23972 4.36233 2.17081 -102.74436 667.72696
4680.0000 -105.59601 -102.29684 3.29917 2.18725 -102.53952 708.82619
4685.0000 -105.32102 -100.05811 5.26292 2.26881 -101.52296 732.44102
4690.0000 -106.38398 -101.59627 4.78771 2.32876 -100.77583 805.52411
4695.0000 -106.83554 -102.17417 4.66138 2.21452 -102.19958 719.08970
4700.0000 -105.96770 -101.91165 4.05605 2.21232 -102.22710 705.03437
4705.0000 -106.19898 -101.96772 4.23126 2.23277 -101.97222 758.69098
4710.0000 -105.99297 -102.26665 3.72632 2.28129 -101.36744 732.19184
4715.0000 -106.76080 -102.89167 3.86912 2.16449 -102.82321 684.01745
4720.0000 -106.36105 -102.29581 4.06524 2.15303 -102.96607 677.48723
4725.0000 -106.22465 -101.95136 4.27330 2.22147 -102.11298 705.26867
4730.0000 -106.64925 -102.27399 4.37527 2.19767 -102.40965 682.93540
4735.0000 -106.24485 -102.19663 4.04822 2.19093 -102.49368 695.13756
4740.0000 -106.44013 -102.30973 4.13040 2.20249 -102.34957 721.69733
4745.0000 -105.86731 -101.87168 3.99564 2.23947 -101.88869 749.84768
4750.0000 -106.40116 -102.95125 3.44991 2.19624 -102.42744 671.74216
FREEZING PROCESS: loop number 20 T-loop= 688.00000000000000
main_MD> interactions number 20 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91131 -0.86695 -0.25650
force_rgl> df(natom) -0.24314 0.11731 -0.89452
4755.0000 -105.79393 -102.47004 3.32389 2.17712 -102.66572 662.59992
4760.0000 -106.64210 -102.73119 3.91091 2.18244 -102.59947 660.55743
4765.0000 -105.92971 -102.07358 3.85613 2.20099 -102.36828 692.76573
4770.0000 -106.93046 -103.08266 3.84780 2.20011 -102.37918 713.54115
4775.0000 -105.83155 -101.67184 4.15972 2.16567 -102.80844 666.37520
4780.0000 -106.07496 -101.91762 4.15734 2.24397 -101.83260 715.31171
4785.0000 -105.44825 -101.31707 4.13118 2.23548 -101.93844 709.74566
4790.0000 -106.78372 -102.74708 4.03664 2.24080 -101.87211 694.84232
4795.0000 -106.60044 -104.03339 2.56705 2.11431 -103.44860 598.98386
4800.0000 -106.86610 -103.50036 3.36574 2.11103 -103.48947 619.38322
4805.0000 -107.00035 -103.15609 3.84426 2.12844 -103.27250 651.65606
4810.0000 -107.22028 -103.71854 3.50173 2.13496 -103.19119 621.15855
4815.0000 -106.69331 -103.78120 2.91211 2.09953 -103.63275 627.32255
4820.0000 -106.55315 -102.63771 3.91544 2.16859 -102.77204 686.37779
4825.0000 -106.55194 -103.12844 3.42350 2.17488 -102.69371 680.80999
4830.0000 -106.86539 -103.63003 3.23536 2.13883 -103.14294 652.08199
4835.0000 -106.47490 -102.01115 4.46376 2.15109 -102.99017 669.39332
4840.0000 -105.67929 -102.05257 3.62672 2.20418 -102.32856 688.23935
4845.0000 -107.21551 -102.66486 4.55065 2.20830 -102.27716 705.45030
4850.0000 -105.39123 -101.16935 4.22188 2.24069 -101.87344 713.35871
4855.0000 -105.33096 -100.85117 4.47979 2.31932 -100.89350 771.56099
4860.0000 -105.75208 -101.57724 4.17484 2.29624 -101.18119 773.38375
4865.0000 -106.55292 -102.39636 4.15657 2.17682 -102.66948 682.83215
4870.0000 -106.98652 -102.98766 3.99886 2.20510 -102.31708 691.92280
4875.0000 -106.71832 -102.37770 4.34061 2.17190 -102.73084 668.08819
4880.0000 -106.14705 -102.70229 3.44476 2.16861 -102.77178 653.91643
4885.0000 -107.12868 -102.97639 4.15229 2.17338 -102.71244 686.32582
4890.0000 -106.23938 -102.25762 3.98176 2.18826 -102.52693 669.86577
4895.0000 -106.76267 -102.75299 4.00968 2.17366 -102.70892 680.85401
4900.0000 -106.87120 -102.85783 4.01337 2.14978 -103.00653 674.81058
4905.0000 -106.91774 -102.37923 4.53851 2.16625 -102.80127 641.95552
4910.0000 -107.29247 -102.96721 4.32526 2.16630 -102.80068 651.57858
4915.0000 -106.18104 -102.74593 3.43511 2.13597 -103.17866 640.48937
4920.0000 -106.19307 -102.45529 3.73778 2.23514 -101.94261 725.63714
4925.0000 -105.97984 -102.59981 3.38004 2.18242 -102.59977 698.98086
4930.0000 -106.66631 -102.48515 4.18116 2.14425 -103.07543 664.47345
4935.0000 -105.82940 -101.86278 3.96662 2.21097 -102.24387 701.95534
4940.0000 -106.12593 -101.83363 4.29229 2.25639 -101.67780 770.48678
4945.0000 -105.82467 -102.42091 3.40375 2.23161 -101.98666 728.34797
4950.0000 -107.09895 -103.52609 3.57285 2.14838 -103.02394 679.51222
4955.0000 -106.26691 -102.57483 3.69208 2.15421 -102.95129 660.41206
4960.0000 -105.66100 -101.35904 4.30196 2.23203 -101.98146 688.53742
4965.0000 -105.50804 -100.85455 4.65349 2.25479 -101.69771 735.30068
4970.0000 -106.34981 -101.88146 4.46835 2.26645 -101.55246 752.47075
4975.0000 -105.66697 -101.56041 4.10656 2.20017 -102.37849 701.51900
4980.0000 -106.87001 -102.68037 4.18964 2.21479 -102.19630 702.25021
4985.0000 -106.79463 -103.16932 3.62531 2.15097 -102.99175 664.15042
4990.0000 -107.43528 -103.41795 4.01733 2.11264 -103.46936 602.46800
4995.0000 -106.66322 -102.95456 3.70866 2.15214 -102.97711 622.83705
5000.0000 -106.17838 -101.99237 4.18602 2.18676 -102.54557 651.68805
FREEZING PROCESS: loop number 21 T-loop= 663.00000000000000
main_MD> interactions number 21 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.15755 -0.16468 0.99296
force_rgl> df(natom) 0.45310 -2.92727 -1.11163
5005.0000 -105.56039 -101.59323 3.96716 2.21297 -102.21893 673.85709
5010.0000 -106.74812 -102.55127 4.19685 2.21260 -102.22357 704.47224
5015.0000 -106.99852 -103.17263 3.82590 2.16886 -102.76874 649.30595
5020.0000 -106.45471 -102.73231 3.72240 2.16639 -102.79954 684.22211
5025.0000 -106.29791 -102.59825 3.69965 2.13807 -103.15252 645.91726
5030.0000 -106.86648 -102.51952 4.34697 2.15845 -102.89844 662.23813
5035.0000 -106.88267 -102.93598 3.94669 2.16957 -102.75982 679.74782
5040.0000 -107.59193 -103.60389 3.98804 2.16583 -102.80654 648.18493
5045.0000 -105.39004 -101.70708 3.68296 2.12897 -103.26593 645.29165
5050.0000 -105.69388 -102.20035 3.49352 2.23204 -101.98131 709.12946
5055.0000 -105.97128 -101.66653 4.30476 2.20638 -102.30115 672.76387
5060.0000 -106.18633 -102.15016 4.03617 2.21627 -102.17787 698.93458
5065.0000 -106.27297 -102.08987 4.18310 2.22061 -102.12375 688.29951
5070.0000 -107.00897 -103.16580 3.84317 2.17724 -102.66428 668.11497
5075.0000 -106.07148 -102.36671 3.70477 2.16472 -102.82027 673.26146
5080.0000 -106.39265 -102.10622 4.28643 2.20553 -102.31168 686.84724
5085.0000 -106.67242 -103.97475 2.69767 2.19374 -102.45860 672.02366
5090.0000 -106.79416 -103.78856 3.00560 2.08891 -103.76522 576.62669
5095.0000 -106.93651 -103.89023 3.04627 2.05282 -104.21498 573.50436
5100.0000 -105.59911 -101.96989 3.62922 2.18058 -102.62261 686.18806
5105.0000 -106.37624 -102.49244 3.88380 2.22391 -102.08266 722.33534
5110.0000 -106.30546 -102.75943 3.54603 2.15068 -102.99526 632.62738
5115.0000 -106.31251 -103.00123 3.31128 2.14424 -103.07557 614.88904
5120.0000 -106.50629 -102.65666 3.84962 2.18075 -102.62050 673.45092
5125.0000 -107.32868 -103.12226 4.20641 2.13470 -103.19446 643.93475
5130.0000 -106.77537 -102.98928 3.78609 2.11019 -103.49993 624.97914
5135.0000 -105.96945 -102.16312 3.80633 2.19053 -102.49862 674.81326
5140.0000 -105.21237 -101.71769 3.49469 2.22833 -102.02758 708.92007
5145.0000 -105.73052 -101.63489 4.09563 2.26982 -101.51046 693.92811
5150.0000 -105.20137 -100.96319 4.23818 2.28805 -101.28317 734.10950
5155.0000 -106.25858 -102.25578 4.00281 2.27409 -101.45716 773.67279
5160.0000 -107.16106 -102.98063 4.18043 2.14514 -103.06434 686.42807
5165.0000 -106.66053 -103.00523 3.65529 2.10993 -103.50314 654.49873
5170.0000 -106.60188 -103.08154 3.52034 2.13898 -103.14118 658.31820
5175.0000 -107.19230 -103.61305 3.57925 2.11504 -103.43948 647.75430
5180.0000 -107.00131 -103.86652 3.13480 2.05328 -104.20918 601.35692
5185.0000 -107.38142 -103.44120 3.94022 2.10210 -103.60080 616.94788
5190.0000 -106.58148 -102.85513 3.72635 2.10878 -103.51747 640.10871
5195.0000 -106.44406 -102.51715 3.92691 2.18442 -102.57483 643.33232
5200.0000 -106.66514 -101.82427 4.84087 2.21628 -102.17767 666.49888
5205.0000 -106.77431 -102.82695 3.94736 2.21905 -102.14312 691.41362
5210.0000 -107.61953 -104.20888 3.41065 2.08281 -103.84114 595.21731
5215.0000 -107.37699 -103.56147 3.81552 2.10886 -103.51646 606.52024
5220.0000 -106.95661 -103.22064 3.73597 2.14549 -103.06001 646.13282
5225.0000 -106.55741 -102.44970 4.10772 2.18560 -102.56005 673.24332
5230.0000 -107.09738 -103.31094 3.78644 2.17494 -102.69292 668.29442
5235.0000 -107.16084 -103.58117 3.57967 2.08149 -103.85761 610.08597
5240.0000 -106.86441 -103.35223 3.51218 2.13690 -103.16711 649.65365
5245.0000 -105.82497 -101.76040 4.06457 2.13651 -103.17185 648.34398
5250.0000 -105.72517 -101.66883 4.05634 2.23997 -101.88241 740.75990
FREEZING PROCESS: loop number 22 T-loop= 638.00000000000000
main_MD> interactions number 22 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.79989 0.99533 2.01340
force_rgl> df(natom) 0.67356 -0.51061 0.52365
5255.0000 -105.91625 -101.14862 4.76763 2.27261 -101.47559 714.17692
5260.0000 -105.85395 -102.66382 3.19013 2.23918 -101.89229 703.19868
5265.0000 -106.40913 -102.73723 3.67190 2.16496 -102.81737 667.57060
5270.0000 -106.80132 -102.81151 3.98981 2.19581 -102.43280 671.62389
5275.0000 -106.77437 -102.91046 3.86391 2.12340 -103.33526 633.52072
5280.0000 -107.41061 -103.64433 3.76628 2.11552 -103.43353 628.83042
5285.0000 -106.49051 -103.32779 3.16272 2.10904 -103.51423 595.01958
5290.0000 -106.50163 -102.52805 3.97358 2.15286 -102.96809 662.35300
5295.0000 -106.46279 -102.86159 3.60120 2.18043 -102.62450 687.46789
5300.0000 -106.69495 -102.92688 3.76807 2.17366 -102.70886 659.52229
5305.0000 -106.63570 -102.61036 4.02534 2.19206 -102.47951 683.05485
5310.0000 -107.32398 -103.94995 3.37403 2.11872 -103.39368 616.77937
5315.0000 -107.55421 -103.44176 4.11245 2.10991 -103.50347 637.48507
5320.0000 -107.85422 -103.76978 4.08444 2.13193 -103.22903 659.83239
5325.0000 -107.23270 -103.99026 3.24244 2.11553 -103.43334 651.88867
5330.0000 -107.61756 -104.04527 3.57229 2.07518 -103.93623 606.79035
5335.0000 -107.68661 -103.97160 3.71500 2.04844 -104.26958 575.03565
5340.0000 -107.36152 -103.67807 3.68345 2.07907 -103.88780 604.54058
5345.0000 -107.72757 -103.74458 3.98299 2.08053 -103.86962 600.20485
5350.0000 -107.39720 -103.89073 3.50647 2.10984 -103.50425 614.78682
5355.0000 -106.02990 -103.12313 2.90677 2.15467 -102.94552 621.66358
5360.0000 -106.37574 -103.25493 3.12081 2.12672 -103.29396 621.50477
5365.0000 -107.80804 -103.89131 3.91673 2.09572 -103.68024 609.50389
5370.0000 -107.53400 -103.08778 4.44622 2.12151 -103.35882 661.96906
5375.0000 -106.68745 -103.18387 3.50359 2.13750 -103.15954 650.76577
5380.0000 -107.68675 -104.58683 3.09992 2.09418 -103.69953 616.51842
5385.0000 -107.71276 -104.23549 3.47727 2.04077 -104.36518 534.01932
5390.0000 -107.02344 -103.07487 3.94856 2.08731 -103.78511 595.82672
5395.0000 -107.21246 -104.20854 3.00392 2.09221 -103.72402 590.64983
5400.0000 -107.65175 -104.48045 3.17130 2.08223 -103.84840 580.86561
5405.0000 -106.91374 -102.94582 3.96792 2.08339 -103.83390 620.44586
5410.0000 -107.02764 -103.79308 3.23456 2.12883 -103.26769 648.99682
5415.0000 -106.56334 -102.54043 4.02290 2.15760 -102.90904 678.59145
5420.0000 -107.00394 -103.75064 3.25330 2.09956 -103.63241 622.55116
5425.0000 -107.09675 -103.29891 3.79783 2.15022 -103.00104 653.84277
5430.0000 -106.80368 -103.37964 3.42404 2.08114 -103.86195 585.79653
5435.0000 -106.71243 -102.32778 4.38465 2.12704 -103.28997 647.18887
5440.0000 -106.82538 -102.85217 3.97320 2.21184 -102.23310 712.21439
5445.0000 -106.90267 -102.78788 4.11478 2.16262 -102.84644 655.03823
5450.0000 -106.80388 -102.91049 3.89339 2.11327 -103.46155 625.10548
5455.0000 -106.60730 -103.13180 3.47549 2.18204 -102.60441 678.60511
5460.0000 -108.02825 -104.03955 3.98870 2.11109 -103.48870 600.16142
5465.0000 -106.59836 -103.63616 2.96221 2.06407 -104.07473 606.36350
5470.0000 -106.73649 -103.22455 3.51194 2.11411 -103.45109 619.95442
5475.0000 -106.78776 -103.29438 3.49338 2.14234 -103.09928 669.49965
5480.0000 -107.60933 -102.81463 4.79470 2.13916 -103.13883 648.02674
5485.0000 -107.54539 -104.51406 3.03133 2.13233 -103.22395 666.36370
5490.0000 -107.54841 -104.48340 3.06501 2.04243 -104.34451 583.70291
5495.0000 -106.63891 -103.31964 3.31927 2.07027 -103.99751 607.82875
5500.0000 -106.36986 -102.78274 3.58713 2.16552 -102.81039 667.83160
FREEZING PROCESS: loop number 23 T-loop= 613.00000000000000
main_MD> interactions number 23 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41798 2.14936 1.48491
force_rgl> df(natom) 0.80150 -2.05121 1.23157
5505.0000 -107.16438 -103.88548 3.27890 2.11795 -103.40319 633.56755
5510.0000 -107.18590 -104.44479 2.74111 2.05801 -104.15031 572.60470
5515.0000 -108.15000 -105.86762 2.28238 1.99969 -104.87709 506.04404
5520.0000 -107.94373 -104.27557 3.66815 1.99112 -104.98391 514.24868
5525.0000 -107.15520 -104.34936 2.80584 2.04190 -104.35109 556.58930
5530.0000 -107.33618 -103.38072 3.95546 2.07179 -103.97852 574.38036
5535.0000 -106.60535 -102.99633 3.60902 2.12555 -103.30849 640.40147
5540.0000 -106.38012 -103.59721 2.78291 2.13462 -103.19551 641.77792
5545.0000 -106.38308 -102.82358 3.55950 2.13156 -103.23361 623.09524
5550.0000 -107.41339 -103.75215 3.66124 2.06962 -104.00561 602.34025
5555.0000 -107.12339 -103.97462 3.14876 2.04394 -104.32567 548.58340
5560.0000 -107.09625 -102.65180 4.44445 2.12204 -103.35228 629.86850
5565.0000 -106.96106 -103.76246 3.19861 2.16042 -102.87390 680.19357
5570.0000 -107.25890 -103.72919 3.52971 2.15113 -102.98969 662.73502
5575.0000 -106.56005 -102.90116 3.65890 2.11461 -103.44489 645.65594
5580.0000 -106.81217 -102.69940 4.11278 2.16901 -102.76685 659.53126
5585.0000 -106.79090 -103.29188 3.49901 2.17581 -102.68215 649.00063
5590.0000 -107.32896 -104.14053 3.18843 2.10027 -103.62359 606.14900
5595.0000 -107.58408 -104.00453 3.57956 2.06939 -104.00842 585.21292
5600.0000 -107.05801 -103.76196 3.29605 2.06928 -104.00987 583.20729
5605.0000 -107.77682 -104.22525 3.55156 2.09354 -103.70749 624.84808
5610.0000 -106.98741 -104.01103 2.97637 2.07266 -103.96767 564.02904
5615.0000 -107.06118 -103.60569 3.45549 2.09767 -103.65596 624.92314
5620.0000 -106.06638 -103.40004 2.66634 2.10260 -103.59457 615.04292
5625.0000 -107.72099 -103.35351 4.36748 2.12742 -103.28518 636.10505
5630.0000 -107.72531 -104.24220 3.48311 2.09615 -103.67488 612.06035
5635.0000 -107.82526 -103.73719 4.08808 2.06569 -104.05463 594.89484
5640.0000 -107.24227 -103.64233 3.59995 2.07219 -103.97354 586.37384
5645.0000 -107.88106 -103.70315 4.17791 2.08362 -103.83114 601.70692
5650.0000 -106.40705 -102.84712 3.55994 2.10563 -103.55673 632.49569
5655.0000 -105.47242 -102.19032 3.28210 2.19617 -102.42836 660.17360
5660.0000 -106.76689 -103.57341 3.19348 2.14661 -103.04601 619.12993
5665.0000 -107.16352 -103.97293 3.19059 2.02929 -104.50822 555.87980
5670.0000 -106.37731 -103.15142 3.22589 2.11753 -103.40850 591.81677
5675.0000 -106.97856 -103.28545 3.69310 2.10574 -103.55547 614.28695
5680.0000 -107.19543 -103.45564 3.73980 2.13668 -103.16977 626.98478
5685.0000 -107.69460 -104.48972 3.20488 2.04669 -104.29135 587.15056
5690.0000 -107.76707 -104.54097 3.22610 2.04558 -104.30518 539.04832
5695.0000 -107.83616 -104.35782 3.47835 2.04217 -104.34776 555.42693
5700.0000 -107.92700 -105.18698 2.74002 2.04327 -104.33399 540.16735
5705.0000 -107.44848 -103.77322 3.67526 2.04610 -104.29871 519.76600
5710.0000 -106.54044 -102.88313 3.65731 2.10656 -103.54519 596.80866
5715.0000 -108.04703 -104.64901 3.39802 2.04457 -104.31785 548.46122
5720.0000 -107.33318 -103.54332 3.78986 2.08234 -103.84710 616.81443
5725.0000 -106.59335 -103.39628 3.19707 2.15481 -102.94387 644.63492
5730.0000 -108.24409 -104.57981 3.66428 2.07317 -103.96136 608.01171
5735.0000 -106.86816 -104.00642 2.86174 2.05622 -104.17265 598.82057
5740.0000 -106.67204 -103.33273 3.33931 2.09068 -103.74314 617.53920
5745.0000 -107.56793 -103.30942 4.25852 2.09849 -103.64573 651.00480
5750.0000 -108.15678 -104.69759 3.45919 2.05333 -104.20858 583.61127
FREEZING PROCESS: loop number 24 T-loop= 588.00000000000000
main_MD> interactions number 24 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05495 0.34692 -0.32048
force_rgl> df(natom) -4.39793 3.86634 -2.52966
5755.0000 -107.69142 -103.79035 3.90107 2.06508 -104.06216 602.31153
5760.0000 -108.06458 -104.70890 3.35568 2.06664 -104.04277 610.56377
5765.0000 -106.58273 -103.29501 3.28773 2.07244 -103.97038 576.23593
5770.0000 -107.53340 -103.40888 4.12452 2.13771 -103.15692 639.08877
5775.0000 -106.98485 -104.19009 2.79476 2.08383 -103.82850 618.43280
5780.0000 -107.85390 -103.48857 4.36533 2.04025 -104.37168 562.12082
5785.0000 -108.37150 -105.20483 3.16667 2.02542 -104.55642 543.30820
5790.0000 -107.01733 -103.20913 3.80820 2.04090 -104.36356 571.63982
5795.0000 -105.83518 -102.66067 3.17451 2.16277 -102.84465 669.11851
5800.0000 -107.40465 -103.22995 4.17470 2.18318 -102.59024 679.29532
5805.0000 -106.82897 -103.23263 3.59634 2.10791 -103.52842 599.00493
5810.0000 -105.56899 -102.37204 3.19695 2.14616 -103.05162 612.76747
5815.0000 -106.64254 -102.39990 4.24264 2.22169 -102.11026 680.09423
5820.0000 -107.09189 -103.72296 3.36893 2.17512 -102.69064 683.35959
5825.0000 -107.25575 -104.22085 3.03490 2.08908 -103.76306 612.93121
5830.0000 -107.46755 -103.90908 3.55848 2.03202 -104.47423 559.02538
5835.0000 -106.93744 -103.17331 3.76413 2.14022 -103.12561 642.62358
5840.0000 -107.41722 -104.21243 3.20480 2.05080 -104.24014 545.70113
5845.0000 -107.74500 -104.76895 2.97605 2.03482 -104.43927 567.57832
5850.0000 -107.30419 -103.63024 3.67395 2.05404 -104.19981 571.39889
5855.0000 -107.30853 -103.09269 4.21584 2.13409 -103.20201 649.24816
5860.0000 -107.44263 -104.43500 3.00763 2.07454 -103.94429 619.04708
5865.0000 -107.57008 -104.69488 2.87520 2.04058 -104.36753 559.63337
5870.0000 -107.48234 -104.05436 3.42798 2.04348 -104.33135 588.59140
5875.0000 -106.69450 -103.70503 2.98948 2.08350 -103.83261 605.72417
5880.0000 -105.80097 -103.05659 2.74438 2.08978 -103.75428 585.90118
5885.0000 -107.08633 -103.67193 3.41440 2.13596 -103.17879 606.93979
5890.0000 -107.68825 -104.28879 3.39946 2.04824 -104.27211 548.98342
5895.0000 -106.94233 -103.65430 3.28803 2.04543 -104.30713 551.28900
5900.0000 -107.31734 -103.92314 3.39420 2.07446 -103.94524 583.06700
5905.0000 -107.65879 -104.21820 3.44059 2.08152 -103.85725 544.18803
5910.0000 -107.62032 -104.09729 3.52303 2.05047 -104.24430 558.14867
5915.0000 -107.18420 -103.98168 3.20251 2.06637 -104.04607 610.60304
5920.0000 -108.30398 -103.96963 4.33435 2.08957 -103.75692 649.77862
5925.0000 -107.18204 -103.92004 3.26200 2.08256 -103.84430 618.98811
5930.0000 -106.79380 -103.46974 3.32406 2.09010 -103.75031 621.58208
5935.0000 -106.49665 -104.00605 2.49060 2.08786 -103.77825 621.38060
5940.0000 -107.32642 -103.95337 3.37306 2.09965 -103.63136 604.95336
5945.0000 -107.44351 -103.09454 4.34896 2.10077 -103.61735 637.97475
5950.0000 -107.34610 -104.32750 3.01861 2.09994 -103.62770 601.57559
5955.0000 -108.00225 -105.06537 2.93687 2.01238 -104.71902 540.30449
5960.0000 -107.26159 -103.99201 3.26958 2.04552 -104.30601 556.61743
5965.0000 -107.79095 -104.69004 3.10092 2.08368 -103.83038 616.25661
5970.0000 -107.16043 -104.07568 3.08475 2.03857 -104.39259 552.40123
5975.0000 -107.45935 -104.16223 3.29712 2.06474 -104.06642 599.80280
5980.0000 -107.43748 -103.89079 3.54669 2.07984 -103.87820 602.17012
5985.0000 -106.88116 -103.43205 3.44912 2.08585 -103.80326 586.55377
5990.0000 -107.17001 -103.62534 3.54466 2.09852 -103.64541 599.69000
5995.0000 -106.83832 -103.17513 3.66319 2.11528 -103.43654 601.48154
6000.0000 -106.60334 -102.71896 3.88438 2.15679 -102.91919 652.76708
FREEZING PROCESS: loop number 25 T-loop= 563.00000000000000
main_MD> interactions number 25 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54550 -0.71556 0.20995
force_rgl> df(natom) 2.03731 1.19801 -0.66552
6005.0000 -105.98774 -102.57452 3.41322 2.17327 -102.71378 647.77673
6010.0000 -107.79411 -104.58841 3.20569 2.09750 -103.65814 609.84745
6015.0000 -107.47079 -104.43796 3.03284 2.05211 -104.22383 588.59303
6020.0000 -107.69849 -104.50003 3.19846 2.05498 -104.18807 576.81939
6025.0000 -108.73005 -105.60451 3.12555 2.00647 -104.79258 538.16265
6030.0000 -107.09259 -103.91560 3.17699 2.02093 -104.61242 546.30696
6035.0000 -107.41169 -103.59681 3.81488 2.07350 -103.95718 610.75955
6040.0000 -107.72622 -104.24437 3.48186 2.08717 -103.78691 614.44684
6045.0000 -107.26245 -104.02418 3.23827 2.05494 -104.18859 584.86322
6050.0000 -107.74158 -104.55169 3.18989 2.03695 -104.41276 563.41949
6055.0000 -108.27844 -105.37444 2.90400 2.00454 -104.81674 527.80064
6060.0000 -107.58279 -104.61788 2.96491 1.99178 -104.97578 530.29328
6065.0000 -107.78321 -104.40695 3.37626 2.03865 -104.39163 558.74320
6070.0000 -106.96370 -104.69920 2.26450 2.03226 -104.47122 559.99577
6075.0000 -107.54242 -104.75900 2.78342 2.01960 -104.62902 545.90334
6080.0000 -107.13256 -104.31704 2.81553 2.00996 -104.74914 502.34757
6085.0000 -107.59634 -103.82815 3.76819 2.08698 -103.78922 588.05451
6090.0000 -107.85406 -104.61158 3.24249 2.02088 -104.61305 539.05262
6095.0000 -108.10580 -105.23531 2.87050 1.99080 -104.98799 513.03326
6100.0000 -108.00000 -104.48576 3.51425 2.01017 -104.74652 537.93800
6105.0000 -108.21557 -104.90698 3.30858 2.02113 -104.60996 545.58852
6110.0000 -107.29275 -104.41002 2.88273 2.03186 -104.47620 530.41519
6115.0000 -107.73887 -104.68893 3.04993 2.00453 -104.81683 552.36439
6120.0000 -107.97093 -104.90844 3.06249 1.95963 -105.37639 506.18279
6125.0000 -107.80958 -104.84642 2.96316 2.00429 -104.81979 564.57689
6130.0000 -107.24754 -103.87001 3.37754 2.02654 -104.54250 536.50044
6135.0000 -107.36413 -103.80044 3.56368 2.09123 -103.73631 594.15277
6140.0000 -107.27150 -103.50038 3.77112 2.09745 -103.65877 614.82368
6145.0000 -105.69962 -102.48884 3.21077 2.14265 -103.09536 628.05699
6150.0000 -106.66574 -103.17812 3.48762 2.19851 -102.39912 694.54255
6155.0000 -107.15756 -103.35327 3.80429 2.11056 -103.49528 626.43949
6160.0000 -107.58019 -104.22093 3.35925 2.07028 -103.99733 585.73418
6165.0000 -107.53910 -103.86172 3.67739 2.07317 -103.96133 619.08512
6170.0000 -106.88100 -103.81360 3.06740 2.12338 -103.33553 657.01025
6175.0000 -107.13504 -103.92692 3.20812 2.08391 -103.82754 572.55391
6180.0000 -107.78739 -104.16668 3.62071 2.07853 -103.89454 607.29665
6185.0000 -107.39680 -104.63756 2.75924 2.05130 -104.23386 567.09776
6190.0000 -107.23862 -103.67145 3.56718 2.02132 -104.60760 547.32934
6195.0000 -107.70800 -104.85791 2.85009 2.05863 -104.14261 594.94332
6200.0000 -108.37812 -105.69645 2.68167 1.98083 -105.11223 519.26564
6205.0000 -108.43384 -105.44202 2.99183 1.97763 -105.15211 529.72329
6210.0000 -107.29901 -103.96912 3.32988 2.02950 -104.50560 568.47026
6215.0000 -107.08088 -103.90088 3.18000 2.09146 -103.73334 608.56856
6220.0000 -108.53771 -104.93158 3.60613 2.05312 -104.21118 587.82463
6225.0000 -107.46678 -104.86070 2.60607 1.98964 -105.00240 513.03402
6230.0000 -107.65253 -104.75905 2.89349 2.03347 -104.45617 543.81485
6235.0000 -107.84738 -104.09462 3.75276 2.04178 -104.35258 573.84772
6240.0000 -107.40616 -104.27321 3.13295 2.03801 -104.39957 569.38608
6245.0000 -107.99732 -104.39933 3.59799 2.05088 -104.23912 580.83362
6250.0000 -107.42735 -104.20054 3.22681 2.02450 -104.56791 554.05785
FREEZING PROCESS: loop number 26 T-loop= 538.00000000000000
main_MD> interactions number 26 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38978 2.07601 -0.43185
force_rgl> df(natom) 0.92107 -0.54041 0.16111
6255.0000 -108.22079 -105.07310 3.14769 2.01849 -104.64278 549.95597
6260.0000 -107.84995 -104.91255 2.93740 2.01762 -104.65367 540.67047
6265.0000 -107.34660 -104.64264 2.70396 1.98311 -105.08377 508.73634
6270.0000 -107.78183 -104.41753 3.36430 2.00687 -104.78763 504.11699
6275.0000 -107.02959 -103.83580 3.19379 2.05785 -104.15231 570.71791
6280.0000 -108.19351 -105.02649 3.16702 2.03635 -104.42021 561.15478
6285.0000 -107.72658 -105.08890 2.63768 1.97661 -105.16479 519.31733
6290.0000 -107.68557 -104.73696 2.94861 2.00094 -104.86161 542.91246
6295.0000 -107.61139 -105.22947 2.38192 2.03662 -104.41683 554.05879
6300.0000 -107.97861 -105.79297 2.18565 1.96896 -105.26016 500.58924
6305.0000 -107.92418 -104.35262 3.57155 1.98033 -105.11838 520.48544
6310.0000 -107.34718 -103.90104 3.44614 2.02331 -104.58280 564.31469
6315.0000 -107.92927 -104.41107 3.51820 2.06385 -104.07754 590.11512
6320.0000 -106.76344 -103.86387 2.89957 2.05115 -104.23576 577.53547
6325.0000 -107.58575 -103.71823 3.86752 2.09895 -103.63999 585.00383
6330.0000 -107.51706 -104.47798 3.03908 2.05818 -104.14821 560.92072
6335.0000 -107.52737 -104.36531 3.16205 2.03913 -104.38553 557.26791
6340.0000 -107.40531 -104.67191 2.73341 2.01633 -104.66977 526.93200
6345.0000 -108.50782 -105.38416 3.12366 1.97578 -105.17510 533.07429
6350.0000 -108.28764 -105.04916 3.23848 1.98423 -105.06985 541.75194
6355.0000 -107.67410 -105.16536 2.50874 1.97110 -105.23345 549.91075
6360.0000 -108.21154 -105.18244 3.02910 1.98428 -105.06919 546.54924
6365.0000 -108.25780 -105.27671 2.98109 1.95512 -105.43266 534.57109
6370.0000 -108.46426 -105.10568 3.35857 1.98327 -105.08177 555.48114
6375.0000 -108.46371 -105.54642 2.91729 1.97583 -105.17458 543.25820
6380.0000 -107.80762 -105.32304 2.48459 1.95136 -105.47952 487.60089
6385.0000 -107.84012 -105.11293 2.72719 1.96672 -105.28802 500.09355
6390.0000 -107.65132 -104.79208 2.85924 1.97390 -105.19858 488.31432
6395.0000 -107.93544 -105.42914 2.50631 1.98797 -105.02322 489.98314
6400.0000 -108.92487 -105.65599 3.26888 1.94880 -105.51138 499.32621
6405.0000 -107.65468 -104.83942 2.81526 1.98317 -105.08301 539.06821
6410.0000 -106.96127 -104.18604 2.77523 2.04653 -104.29335 580.31619
6415.0000 -107.61138 -104.80331 2.80807 2.03737 -104.40759 569.70903
6420.0000 -108.01406 -105.20872 2.80534 2.02286 -104.58835 542.83499
6425.0000 -108.45510 -105.84668 2.60842 1.94944 -105.50348 485.87547
6430.0000 -107.97490 -105.17225 2.80265 1.99825 -104.89507 532.33970
6435.0000 -107.78402 -105.01642 2.76761 1.97139 -105.22987 510.47123
6440.0000 -107.70063 -104.50057 3.20005 1.99896 -104.88630 533.52053
6445.0000 -108.15817 -104.89132 3.26685 2.04705 -104.28688 561.43814
6450.0000 -107.61030 -103.96810 3.64220 2.01924 -104.63342 566.84792
6455.0000 -107.83315 -104.66029 3.17286 2.04767 -104.27910 596.90542
6460.0000 -108.53476 -105.13043 3.40433 2.00622 -104.79573 538.49031
6465.0000 -108.32402 -105.14196 3.18207 1.97585 -105.17431 529.88104
6470.0000 -107.90641 -105.45140 2.45501 1.97368 -105.20127 524.39434
6475.0000 -108.59149 -105.28881 3.30267 1.99204 -104.97253 533.60778
6480.0000 -108.35833 -105.60320 2.75512 1.97282 -105.21210 505.29269
6485.0000 -107.74212 -104.92757 2.81455 2.01323 -104.70844 541.43462
6490.0000 -108.22239 -105.71838 2.50401 1.97314 -105.20800 497.37536
6495.0000 -108.44190 -105.29011 3.15179 1.95672 -105.41274 505.42795
6500.0000 -107.68504 -104.84822 2.83683 1.99893 -104.88659 550.24869
FREEZING PROCESS: loop number 27 T-loop= 513.00000000000000
main_MD> interactions number 27 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83090 0.60709 -1.64967
force_rgl> df(natom) 0.86464 -0.37134 -1.06751
6505.0000 -107.61249 -104.58169 3.03080 2.00938 -104.75642 517.76532
6510.0000 -107.56240 -103.24170 4.32071 2.05419 -104.19795 563.90595
6515.0000 -107.99064 -105.14419 2.84645 2.01761 -104.65375 548.01547
6520.0000 -107.36463 -104.11318 3.25145 2.01559 -104.67899 544.64271
6525.0000 -107.77009 -105.18928 2.58082 2.01120 -104.73374 525.45237
6530.0000 -107.55361 -104.04625 3.50736 2.02552 -104.55524 562.57782
6535.0000 -108.45201 -105.44415 3.00786 1.99906 -104.88504 518.64386
6540.0000 -108.08586 -105.28411 2.80175 1.95415 -105.44473 497.94229
6545.0000 -107.92169 -104.81861 3.10308 1.97363 -105.20190 502.86482
6550.0000 -107.97264 -104.80342 3.16922 2.01501 -104.68622 546.92652
6555.0000 -108.21835 -104.38438 3.83397 1.99884 -104.88771 519.32496
6560.0000 -107.99058 -105.50397 2.48661 1.97770 -105.15116 506.40748
6565.0000 -107.13232 -104.36447 2.76785 2.03821 -104.39707 565.49512
6570.0000 -107.97418 -104.89281 3.08136 2.01526 -104.68313 546.94180
6575.0000 -108.69690 -105.72507 2.97183 1.96448 -105.31595 521.23970
6580.0000 -108.21234 -104.91130 3.30104 1.95951 -105.37790 518.08215
6585.0000 -107.74847 -105.19081 2.55766 1.97069 -105.23858 512.55792
6590.0000 -108.34201 -105.02141 3.32060 1.98811 -105.02146 512.24975
6595.0000 -108.22921 -105.24929 2.97993 1.97630 -105.16863 497.57012
6600.0000 -107.85975 -105.14746 2.71229 1.96428 -105.31843 498.82458
6605.0000 -107.90212 -104.84720 3.05492 1.99667 -104.91480 509.28639
6610.0000 -107.27286 -104.33819 2.93467 2.01552 -104.67979 519.25707
6615.0000 -107.84941 -105.18425 2.66515 2.00686 -104.78779 543.42810
6620.0000 -108.50536 -105.51257 2.99280 1.98285 -105.08699 500.38503
6625.0000 -108.39983 -105.84053 2.55930 1.94053 -105.61453 481.01007
6630.0000 -108.63324 -105.64393 2.98930 1.94786 -105.52307 497.31912
6635.0000 -108.97245 -106.15676 2.81570 1.92794 -105.77141 498.29193
6640.0000 -109.09179 -105.99672 3.09507 1.91233 -105.96600 461.91886
6645.0000 -108.82048 -106.46037 2.36011 1.90744 -106.02684 467.65472
6650.0000 -108.84537 -106.22008 2.62530 1.86798 -106.51875 449.20421
6655.0000 -107.77913 -104.87216 2.90697 1.94108 -105.60764 480.05687
6660.0000 -107.20562 -104.40514 2.80047 2.00456 -104.81639 544.48996
6665.0000 -107.81406 -105.14856 2.66550 2.01410 -104.69750 514.00777
6670.0000 -108.23573 -105.13799 3.09773 1.97577 -105.17521 523.79592
6675.0000 -108.16111 -105.14403 3.01708 1.97903 -105.13458 524.68833
6680.0000 -107.58375 -104.39928 3.18446 2.00642 -104.79327 550.63204
6685.0000 -107.42993 -104.67224 2.75769 2.01730 -104.65771 561.01488
6690.0000 -108.58797 -105.31512 3.27285 1.98190 -105.09885 482.26126
6695.0000 -107.65552 -104.70982 2.94570 1.98528 -105.05672 518.70012
6700.0000 -107.59609 -104.75194 2.84415 1.99579 -104.92578 505.29218
6705.0000 -108.12199 -104.97308 3.14891 2.00205 -104.84775 508.54201
6710.0000 -107.30829 -104.69378 2.61452 2.00338 -104.83117 511.99422
6715.0000 -108.00521 -104.51947 3.48574 1.98976 -105.00093 545.19465
6720.0000 -108.74010 -105.36933 3.37076 1.98645 -105.04217 545.40453
6725.0000 -108.14592 -105.11372 3.03219 1.97138 -105.23002 530.14480
6730.0000 -107.17626 -103.90493 3.27133 2.02316 -104.58462 552.09413
6735.0000 -108.34541 -105.33796 3.00745 2.04232 -104.34587 567.17031
6740.0000 -109.01866 -106.03786 2.98080 1.94150 -105.60241 500.20411
6745.0000 -108.28298 -105.38973 2.89325 1.91723 -105.90493 481.69101
6750.0000 -108.35540 -105.48680 2.86861 1.98094 -105.11082 529.58036
FREEZING PROCESS: loop number 28 T-loop= 488.00000000000000
main_MD> interactions number 28 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20835 1.42213 1.11265
force_rgl> df(natom) -0.90580 0.52762 -1.93965
6755.0000 -107.67339 -104.39316 3.28022 1.96858 -105.26491 520.61386
6760.0000 -107.92742 -105.08645 2.84096 2.00571 -104.80206 544.65078
6765.0000 -107.44013 -104.79805 2.64208 1.96453 -105.31530 486.69500
6770.0000 -108.13128 -105.26159 2.86969 1.99705 -104.91009 508.38594
6775.0000 -108.01541 -105.28429 2.73112 1.97967 -105.12661 499.36360
6780.0000 -108.00704 -105.26831 2.73873 1.95762 -105.40145 490.60781
6785.0000 -108.46250 -104.81541 3.64709 1.99357 -104.95340 520.07627
6790.0000 -108.12545 -105.18829 2.93716 1.98460 -105.06516 523.82120
6795.0000 -108.61916 -105.83629 2.78287 1.93620 -105.66841 461.79226
6800.0000 -107.63729 -104.68002 2.95726 1.96383 -105.32411 497.59721
6805.0000 -107.96351 -105.10813 2.85538 1.97572 -105.17588 499.91049
6810.0000 -108.09426 -105.36396 2.73030 1.97027 -105.24379 478.98614
6815.0000 -108.34143 -105.74537 2.59605 1.95197 -105.47194 487.03479
6820.0000 -108.51658 -106.12660 2.38998 1.92516 -105.80605 446.92459
6825.0000 -108.34175 -105.39930 2.94245 1.95913 -105.38261 494.46462
6830.0000 -108.30357 -105.62114 2.68243 1.93753 -105.65191 477.95698
6835.0000 -107.52351 -104.69838 2.82513 1.97671 -105.16354 495.91710
6840.0000 -107.74007 -104.85644 2.88363 2.01308 -104.71029 558.58577
6845.0000 -108.21119 -105.44134 2.76984 1.95321 -105.45649 507.04155
6850.0000 -108.45010 -105.58404 2.86606 1.95858 -105.38947 502.50892
6855.0000 -108.45486 -105.70021 2.75465 1.93048 -105.73972 479.71896
6860.0000 -108.25498 -105.51582 2.73916 1.92577 -105.79840 446.70865
6865.0000 -108.34729 -105.49046 2.85683 1.97267 -105.21394 497.09931
6870.0000 -108.74563 -105.98406 2.76157 1.92777 -105.77350 477.10550
6875.0000 -108.09535 -105.59310 2.50225 1.91131 -105.97869 441.32117
6880.0000 -109.09485 -106.06148 3.03337 1.94047 -105.61520 477.88695
6885.0000 -108.95953 -105.91554 3.04399 1.89811 -106.14323 459.89533
6890.0000 -109.00752 -106.34540 2.66212 1.88564 -106.29864 450.09713
6895.0000 -109.29913 -107.15448 2.14465 1.86572 -106.54689 419.75186
6900.0000 -108.29509 -105.92654 2.36854 1.86086 -106.60743 419.62437
6905.0000 -108.37936 -106.35253 2.02683 1.92766 -105.77492 475.49058
6910.0000 -108.66776 -106.38038 2.28738 1.87652 -106.41227 431.79734
6915.0000 -108.39476 -104.88273 3.51202 1.91713 -105.90608 470.40032
6920.0000 -107.15805 -104.20080 2.95725 2.02630 -104.54545 565.34222
6925.0000 -107.06678 -103.74575 3.32103 2.08671 -103.79262 601.05953
6930.0000 -108.19126 -105.28160 2.90966 2.01535 -104.68203 551.80552
6935.0000 -108.40727 -105.26088 3.14640 1.95847 -105.39094 494.87263
6940.0000 -108.79134 -105.98509 2.80624 1.93528 -105.67989 470.98848
6945.0000 -108.31703 -106.10678 2.21025 1.92330 -105.82919 468.53543
6950.0000 -108.10054 -105.42600 2.67454 1.92411 -105.81916 475.54847
6955.0000 -108.70554 -106.45592 2.24962 1.90519 -106.05499 449.56641
6960.0000 -108.61386 -106.22224 2.39162 1.91524 -105.92966 461.37403
6965.0000 -108.45845 -105.86274 2.59571 1.90666 -106.03655 455.25768
6970.0000 -109.10220 -105.87111 3.23109 1.95823 -105.39393 518.11786
6975.0000 -108.17155 -105.22232 2.94923 1.94709 -105.53273 501.35529
6980.0000 -108.82558 -106.03078 2.79480 1.92678 -105.78582 478.27598
6985.0000 -108.91437 -106.31575 2.59861 1.88327 -106.32811 437.95686
6990.0000 -108.88419 -105.89239 2.99180 1.88899 -106.25684 453.73182
6995.0000 -108.23793 -105.02797 3.20996 1.94582 -105.54853 520.50572
7000.0000 -108.26988 -105.24411 3.02578 1.96935 -105.25526 522.80870
FREEZING PROCESS: loop number 29 T-loop= 463.00000000000000
main_MD> interactions number 29 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57420 1.61603 -0.97532
force_rgl> df(natom) 0.25918 1.76830 -2.01920
7005.0000 -108.26135 -105.53028 2.73108 1.95607 -105.42084 497.63547
7010.0000 -109.16863 -106.46424 2.70438 1.90401 -106.06966 453.67338
7015.0000 -108.75715 -106.35607 2.40108 1.87295 -106.45673 431.54342
7020.0000 -108.96084 -106.49950 2.46134 1.87308 -106.45517 425.40357
7025.0000 -109.13050 -106.83937 2.29113 1.86934 -106.50171 437.64223
7030.0000 -108.77771 -106.54091 2.23680 1.87316 -106.45408 429.30908
7035.0000 -108.85372 -106.60508 2.24864 1.85192 -106.71888 413.78188
7040.0000 -108.36708 -105.85218 2.51491 1.88168 -106.34792 448.46417
7045.0000 -108.65113 -105.75758 2.89355 1.94427 -105.56785 500.00035
7050.0000 -109.20456 -106.39178 2.81278 1.90650 -106.03859 468.72708
7055.0000 -107.95911 -105.55134 2.40777 1.94229 -105.59255 506.24404
7060.0000 -108.32009 -105.43462 2.88547 1.95890 -105.38547 533.96786
7065.0000 -109.48107 -106.34831 3.13276 1.93652 -105.66441 509.95022
7070.0000 -108.76821 -106.17605 2.59216 1.92603 -105.79518 503.65299
7075.0000 -109.02366 -106.46524 2.55842 1.88125 -106.35329 458.64899
7080.0000 -108.89001 -106.61868 2.27132 1.86522 -106.55304 455.67085
7085.0000 -109.28336 -106.67207 2.61129 1.83590 -106.91846 427.87998
7090.0000 -109.49881 -107.28074 2.21807 1.83434 -106.93796 433.72242
7095.0000 -109.14592 -106.59484 2.55107 1.86084 -106.60773 456.43698
7100.0000 -109.61785 -107.03560 2.58225 1.82602 -107.04167 420.16763
7105.0000 -108.83071 -106.60212 2.22859 1.86422 -106.56556 450.07953
7110.0000 -109.22407 -106.71097 2.51310 1.85807 -106.64215 454.60063
7115.0000 -109.76089 -107.28289 2.47800 1.82337 -107.07465 427.48806
7120.0000 -109.56664 -106.73220 2.83444 1.84744 -106.77468 449.68951
7125.0000 -109.21374 -106.12865 3.08509 1.88462 -106.31133 475.73421
7130.0000 -108.48473 -105.79256 2.69218 1.90225 -106.09159 494.31937
7135.0000 -109.86983 -106.82684 3.04299 1.92431 -105.81666 503.59313
7140.0000 -109.08823 -105.79101 3.29721 1.90916 -106.00546 499.32537
7145.0000 -109.14667 -106.46814 2.67854 1.87469 -106.43507 466.31315
7150.0000 -109.23588 -106.56907 2.66681 1.87912 -106.37981 474.97839
7155.0000 -109.43020 -106.75439 2.67581 1.84917 -106.75317 437.79936
7160.0000 -109.12198 -106.18069 2.94129 1.87818 -106.39161 465.12988
7165.0000 -108.61975 -106.71559 1.90416 1.88312 -106.33000 459.70064
7170.0000 -109.15040 -106.53909 2.61132 1.88048 -106.36291 455.86947
7175.0000 -108.69770 -106.11318 2.58452 1.89330 -106.20307 496.12152
7180.0000 -109.41383 -106.31604 3.09778 1.88686 -106.28338 483.53295
7185.0000 -109.22984 -106.75485 2.47499 1.86132 -106.60173 453.84036
7190.0000 -109.70892 -106.75401 2.95491 1.85235 -106.71350 447.37792
7195.0000 -108.67331 -106.06956 2.60375 1.86503 -106.55552 460.92419
7200.0000 -109.12103 -106.94896 2.17206 1.86980 -106.49604 462.33486
7205.0000 -109.68417 -106.88993 2.79424 1.81990 -107.11788 422.10199
7210.0000 -108.92427 -106.15555 2.76872 1.87386 -106.44537 467.41163
7215.0000 -109.51783 -106.89773 2.62010 1.86492 -106.55689 469.58894
7220.0000 -109.56174 -106.55281 3.00893 1.85443 -106.68761 448.54754
7225.0000 -109.04750 -106.53232 2.51518 1.88021 -106.36632 474.57754
7230.0000 -109.29406 -106.40190 2.89216 1.88921 -106.25412 486.03719
7235.0000 -108.78772 -105.98675 2.80097 1.87156 -106.47412 471.75473
7240.0000 -108.93519 -106.47212 2.46307 1.87052 -106.48710 457.29795
7245.0000 -109.11300 -106.58468 2.52831 1.85247 -106.71196 454.28702
7250.0000 -109.17835 -107.38682 1.79153 1.85273 -106.70870 448.44432
FREEZING PROCESS: loop number 30 T-loop= 438.00000000000000
main_MD> interactions number 30 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.57600 -1.94405 -0.40628
force_rgl> df(natom) 0.62936 -0.68650 -1.83639
7255.0000 -109.65550 -107.23174 2.42376 1.79795 -107.39144 395.48459
7260.0000 -109.33128 -106.83677 2.49451 1.83164 -106.97161 427.98423
7265.0000 -109.84586 -106.84811 2.99775 1.83478 -106.93249 430.42331
7270.0000 -109.07725 -106.39392 2.68333 1.85361 -106.69774 451.45207
7275.0000 -109.09797 -106.80679 2.29118 1.86527 -106.55252 461.77969
7280.0000 -109.52691 -107.04372 2.48319 1.83025 -106.98894 427.83244
7285.0000 -109.59077 -106.22699 3.36378 1.85902 -106.63039 459.65079
7290.0000 -109.27233 -106.73172 2.54062 1.86619 -106.54103 460.49187
7295.0000 -109.16795 -107.20112 1.96683 1.83659 -106.90994 434.41697
7300.0000 -110.08018 -107.75582 2.32436 1.78458 -107.55810 383.62427
7305.0000 -109.80972 -107.57545 2.23427 1.77014 -107.73817 370.17314
7310.0000 -109.16650 -106.54330 2.62320 1.82878 -107.00720 420.75244
7315.0000 -109.91188 -106.89314 3.01874 1.85129 -106.72667 429.16187
7320.0000 -109.43513 -107.04274 2.39239 1.82285 -107.08120 421.25141
7325.0000 -109.89669 -107.29162 2.60507 1.82829 -107.01340 421.35980
7330.0000 -109.33617 -106.65463 2.68154 1.85010 -106.74155 450.81220
7335.0000 -109.58742 -107.66193 1.92549 1.81743 -107.14870 414.82997
7340.0000 -109.30454 -107.28271 2.02183 1.78809 -107.51439 383.68593
7345.0000 -109.37892 -106.54802 2.83090 1.85250 -106.71157 427.85942
7350.0000 -109.43525 -107.23436 2.20089 1.83567 -106.92141 434.08925
7355.0000 -109.10112 -106.65338 2.44775 1.84224 -106.83948 450.62651
7360.0000 -109.14900 -106.60268 2.54633 1.83869 -106.88375 430.32473
7365.0000 -109.53453 -107.15981 2.37473 1.84652 -106.78620 433.19589
7370.0000 -110.23885 -107.47242 2.76644 1.80906 -107.25299 405.69876
7375.0000 -109.28866 -106.67936 2.60930 1.81827 -107.13822 422.22278
7380.0000 -109.35873 -106.83417 2.52456 1.86899 -106.50611 475.03848
7385.0000 -109.37091 -106.80286 2.56805 1.84257 -106.83536 440.85092
7390.0000 -109.21398 -107.06492 2.14906 1.83104 -106.97905 425.15865
7395.0000 -109.19605 -106.81701 2.37904 1.85406 -106.69220 446.41658
7400.0000 -108.81944 -106.33260 2.48684 1.86498 -106.55610 422.30545
7405.0000 -108.51144 -105.55780 2.95364 1.91584 -105.92217 464.65957
7410.0000 -108.56114 -106.18155 2.37958 1.92654 -105.78885 475.91380
7415.0000 -108.71753 -105.90527 2.81226 1.90068 -106.11120 452.87393
7420.0000 -108.12438 -105.19117 2.93321 1.97229 -105.21858 518.36519
7425.0000 -108.77824 -106.16071 2.61753 1.94376 -105.57418 503.37802
7430.0000 -108.81364 -106.40896 2.40468 1.88730 -106.27787 449.39659
7435.0000 -109.43751 -106.83249 2.60502 1.85841 -106.63800 420.25583
7440.0000 -108.43885 -106.02337 2.41548 1.88090 -106.35773 452.91315
7445.0000 -108.81199 -106.52963 2.28236 1.87336 -106.45169 434.73903
7450.0000 -108.70820 -105.93964 2.76856 1.90400 -106.06976 450.66355
7455.0000 -108.47307 -106.13931 2.33377 1.93976 -105.62405 480.33119
7460.0000 -108.60184 -106.61904 1.98280 1.88728 -106.27820 423.55718
7465.0000 -108.65636 -106.14057 2.51579 1.88617 -106.29202 419.22529
7470.0000 -109.37409 -107.17970 2.19439 1.86152 -106.59920 409.99411
7475.0000 -108.77105 -106.71409 2.05695 1.84825 -106.76465 405.88704
7480.0000 -109.10417 -106.79272 2.31145 1.83847 -106.88645 392.60929
7485.0000 -109.15828 -106.69311 2.46516 1.86379 -106.57097 425.68910
7490.0000 -109.21661 -106.88899 2.32762 1.83822 -106.88963 404.88543
7495.0000 -109.41365 -106.49424 2.91941 1.85372 -106.69647 440.90679
7500.0000 -109.34711 -106.99255 2.35456 1.86570 -106.54713 452.74212
FREEZING PROCESS: loop number 31 T-loop= 413.00000000000000
main_MD> interactions number 31 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03050 1.03522 -1.07726
force_rgl> df(natom) 2.21632 0.66173 -1.95136
7505.0000 -109.17648 -106.71906 2.45742 1.84847 -106.76188 430.11477
7510.0000 -108.36596 -106.17314 2.19281 1.87324 -106.45308 446.66018
7515.0000 -109.90450 -107.26089 2.64361 1.87190 -106.46985 454.45723
7520.0000 -109.37055 -107.17397 2.19658 1.80322 -107.32585 384.97114
7525.0000 -109.45433 -107.13130 2.32303 1.79523 -107.42538 380.41041
7530.0000 -109.04406 -106.82166 2.22241 1.82225 -107.08860 407.49138
7535.0000 -109.15751 -106.57299 2.58452 1.85538 -106.67579 439.04930
7540.0000 -108.92115 -106.89045 2.03069 1.85033 -106.73863 425.83923
7545.0000 -109.63854 -107.09651 2.54203 1.83316 -106.95263 406.50093
7550.0000 -109.24054 -107.34823 1.89232 1.80438 -107.31139 389.21205
7555.0000 -110.12200 -107.61966 2.50234 1.78570 -107.54419 373.05575
7560.0000 -109.20431 -107.02411 2.18020 1.80413 -107.31454 384.22011
7565.0000 -109.78398 -107.64346 2.14053 1.80036 -107.36147 377.19346
7570.0000 -109.35013 -106.90612 2.44401 1.78948 -107.49707 361.74413
7575.0000 -109.06227 -106.70097 2.36130 1.83785 -106.89424 424.30538
7580.0000 -109.44635 -107.04919 2.39716 1.83396 -106.94264 400.61662
7585.0000 -109.72436 -107.52052 2.20385 1.82469 -107.05827 405.22154
7590.0000 -109.59951 -107.67329 1.92622 1.78137 -107.59816 359.83979
7595.0000 -109.53420 -107.74244 1.79175 1.78097 -107.60309 363.08944
7600.0000 -109.80730 -107.32315 2.48415 1.76906 -107.75161 352.34349
7605.0000 -109.55455 -107.36866 2.18589 1.79518 -107.42607 371.50771
7610.0000 -109.36182 -106.95358 2.40825 1.82462 -107.05913 403.46870
7615.0000 -109.23867 -106.50279 2.73588 1.86763 -106.52303 445.77031
7620.0000 -109.44456 -106.66035 2.78421 1.88119 -106.35406 455.79946
7625.0000 -109.89236 -106.93545 2.95690 1.83961 -106.87227 431.08487
7630.0000 -109.52183 -106.98080 2.54103 1.82684 -107.03141 414.54198
7635.0000 -108.79001 -106.35617 2.43384 1.86184 -106.59526 437.24427
7640.0000 -109.41975 -106.95252 2.46723 1.85452 -106.68650 433.76545
7645.0000 -109.36507 -107.19239 2.17268 1.82977 -106.99486 419.24632
7650.0000 -109.38000 -107.25164 2.12836 1.79073 -107.48145 381.18217
7655.0000 -109.59788 -107.32923 2.26865 1.80033 -107.36180 384.90434
7660.0000 -109.74448 -107.50194 2.24254 1.77872 -107.63115 364.02844
7665.0000 -109.97159 -108.08786 1.88372 1.76459 -107.80729 344.64298
7670.0000 -109.65338 -107.21810 2.43528 1.79469 -107.43209 380.39487
7675.0000 -110.03102 -107.34155 2.68947 1.83206 -106.96642 421.75335
7680.0000 -109.27240 -107.32013 1.95227 1.79179 -107.46834 379.69829
7685.0000 -109.59179 -107.51290 2.07889 1.79769 -107.39471 384.99535
7690.0000 -109.08127 -106.87473 2.20653 1.78349 -107.57178 368.51438
7695.0000 -109.32390 -106.46177 2.86212 1.83781 -106.89477 416.73619
7700.0000 -109.26755 -106.91455 2.35301 1.84079 -106.85755 418.91971
7705.0000 -109.10994 -106.48241 2.62753 1.84070 -106.85873 409.55699
7710.0000 -108.78244 -106.17933 2.60311 1.86234 -106.58900 441.65210
7715.0000 -109.51070 -107.01683 2.49387 1.87822 -106.39105 458.78070
7720.0000 -109.33393 -107.41728 1.91665 1.80509 -107.30251 390.75797
7725.0000 -109.47983 -106.73006 2.74978 1.82053 -107.11007 407.05741
7730.0000 -109.05516 -107.23343 1.82174 1.83358 -106.94738 422.74945
7735.0000 -109.12094 -106.52857 2.59237 1.83766 -106.89653 422.62978
7740.0000 -109.60803 -107.65780 1.95023 1.80818 -107.26398 390.72875
7745.0000 -109.77307 -107.52418 2.24889 1.77946 -107.62191 363.95261
7750.0000 -109.65596 -107.74092 1.91505 1.76417 -107.81258 349.47330
FREEZING PROCESS: loop number 32 T-loop= 388.00000000000000
main_MD> interactions number 32 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.73349 3.25688 -4.43691
force_rgl> df(natom) -0.97191 0.09187 1.19432
7755.0000 -109.77652 -107.47981 2.29671 1.78822 -107.51280 367.37518
7760.0000 -110.19200 -107.74409 2.44791 1.77821 -107.63754 366.45538
7765.0000 -109.21749 -107.01940 2.19810 1.80696 -107.27915 385.21071
7770.0000 -109.58407 -106.95181 2.63225 1.83036 -106.98753 412.81421
7775.0000 -109.55041 -106.87648 2.67392 1.84261 -106.83495 425.20568
7780.0000 -109.35739 -107.33831 2.01908 1.83143 -106.97424 405.42154
7785.0000 -109.39213 -106.46453 2.92761 1.86684 -106.53292 441.96099
7790.0000 -109.67097 -107.20705 2.46392 1.83200 -106.96715 408.63577
7795.0000 -109.34021 -107.46548 1.87473 1.78213 -107.58863 367.22312
7800.0000 -109.56271 -106.69161 2.87110 1.81917 -107.12709 398.45730
7805.0000 -109.19121 -106.71899 2.47222 1.85004 -106.74231 428.07923
7810.0000 -109.49513 -107.71719 1.77793 1.79813 -107.38926 378.50902
7815.0000 -109.20652 -107.50153 1.70499 1.79192 -107.46667 359.17561
7820.0000 -109.48081 -107.27306 2.20775 1.77660 -107.65757 348.19046
7825.0000 -109.46022 -106.86936 2.59086 1.84026 -106.86415 416.57320
7830.0000 -109.84468 -107.10161 2.74307 1.82362 -107.07157 413.44231
7835.0000 -109.69430 -107.40228 2.29203 1.83231 -106.96330 407.86351
7840.0000 -109.31975 -107.53196 1.78779 1.77921 -107.62504 343.61340
7845.0000 -109.58134 -107.28533 2.29600 1.81506 -107.17829 394.37518
7850.0000 -109.13218 -106.99178 2.14040 1.82055 -107.10978 410.65285
7855.0000 -109.07230 -106.69586 2.37644 1.85659 -106.66059 427.43045
7860.0000 -109.58112 -107.50209 2.07903 1.81549 -107.17295 387.71985
7865.0000 -109.23191 -107.16182 2.07009 1.80843 -107.26085 383.85061
7870.0000 -109.42161 -107.39797 2.02364 1.81710 -107.15278 411.71566
7875.0000 -109.61471 -107.32336 2.29135 1.80799 -107.26639 393.05892
7880.0000 -109.64138 -107.28947 2.35190 1.79222 -107.46289 387.98116
7885.0000 -109.91490 -107.56118 2.35372 1.78351 -107.57147 378.02558
7890.0000 -109.66494 -107.60722 2.05772 1.79476 -107.43122 389.12815
7895.0000 -109.05068 -107.21131 1.83937 1.77899 -107.62786 376.45373
7900.0000 -108.97095 -106.60281 2.36814 1.84868 -106.75919 415.21866
7905.0000 -109.33700 -106.97415 2.36285 1.86556 -106.54883 452.29842
7910.0000 -109.78006 -107.23928 2.54079 1.80861 -107.25863 383.16119
7915.0000 -109.24590 -107.06604 2.17986 1.80780 -107.26872 396.62135
7920.0000 -108.74456 -106.45536 2.28920 1.85502 -106.68024 435.17010
7925.0000 -109.33094 -106.56144 2.76950 1.86344 -106.57525 428.27749
7930.0000 -109.15535 -106.51406 2.64129 1.87648 -106.41272 428.02521
7935.0000 -109.67191 -107.27355 2.39837 1.84100 -106.85494 424.57468
7940.0000 -109.82693 -107.38849 2.43844 1.80951 -107.24749 410.58085
7945.0000 -109.66126 -107.21896 2.44230 1.76921 -107.74973 366.19777
7950.0000 -110.10710 -108.01897 2.08813 1.76874 -107.75560 363.76948
7955.0000 -110.05755 -108.08277 1.97478 1.75802 -107.88916 348.91799
7960.0000 -109.75085 -107.39635 2.35450 1.77283 -107.70456 363.91476
7965.0000 -109.41543 -106.86100 2.55443 1.80092 -107.35452 388.18083
7970.0000 -110.12343 -108.07073 2.05270 1.78743 -107.52261 381.88362
7975.0000 -109.42441 -107.16401 2.26040 1.76861 -107.75712 355.99124
7980.0000 -109.81618 -107.84241 1.97377 1.80771 -107.26990 382.35629
7985.0000 -109.43292 -107.09943 2.33349 1.77060 -107.73238 363.89737
7990.0000 -109.61896 -107.76784 1.85112 1.81707 -107.15317 414.48931
7995.0000 -109.54340 -107.16773 2.37567 1.79518 -107.42602 385.64872
8000.0000 -109.72140 -107.30631 2.41509 1.80781 -107.26861 390.12654
FREEZING PROCESS: loop number 33 T-loop= 363.00000000000000
main_MD> interactions number 33 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.53622 -0.06366 1.63379
force_rgl> df(natom) -2.99558 1.09331 1.36647
8005.0000 -109.83230 -107.61956 2.21274 1.80669 -107.28258 393.94823
8010.0000 -109.58088 -107.03124 2.54964 1.79643 -107.41043 371.43518
8015.0000 -110.27589 -108.04449 2.23140 1.76662 -107.78195 360.67085
8020.0000 -110.03504 -108.25469 1.78035 1.72373 -108.31657 316.06884
8025.0000 -109.77415 -108.20999 1.56416 1.71950 -108.36922 310.15973
8030.0000 -109.77985 -108.03549 1.74437 1.74238 -108.08414 333.65113
8035.0000 -110.07726 -107.86074 2.21652 1.74835 -108.00965 332.67126
8040.0000 -110.20993 -108.25361 1.95632 1.73629 -108.16000 330.79382
8045.0000 -110.13318 -108.21243 1.92075 1.73244 -108.20796 322.51429
8050.0000 -110.21482 -107.91540 2.29942 1.76119 -107.84965 352.55610
8055.0000 -110.13353 -108.35503 1.77850 1.76727 -107.77384 349.46645
8060.0000 -109.86133 -107.97643 1.88490 1.73452 -108.18202 324.34996
8065.0000 -109.66795 -107.89385 1.77410 1.76157 -107.84488 355.57536
8070.0000 -109.02169 -107.34421 1.67748 1.79231 -107.46181 370.56665
8075.0000 -109.41221 -107.17043 2.24177 1.83383 -106.94433 404.45051
8080.0000 -109.20508 -107.45867 1.74642 1.79601 -107.41567 366.03938
8085.0000 -109.48026 -107.45708 2.02318 1.77429 -107.68641 337.07298
8090.0000 -109.59690 -107.59147 2.00543 1.80560 -107.29621 376.87332
8095.0000 -109.62516 -107.11509 2.51007 1.80566 -107.29539 377.39016
8100.0000 -109.04060 -106.88064 2.15996 1.84778 -106.77043 417.30626
8105.0000 -109.32337 -107.60898 1.71440 1.80520 -107.30109 355.52576
8110.0000 -109.16062 -107.09570 2.06491 1.79117 -107.47596 339.02940
8115.0000 -109.25651 -107.20032 2.05619 1.81739 -107.14918 377.92295
8120.0000 -109.48245 -107.83764 1.64481 1.78834 -107.51126 348.97675
8125.0000 -109.47351 -107.77616 1.69736 1.77288 -107.70401 342.85048
8130.0000 -109.52384 -107.66069 1.86314 1.75613 -107.91275 327.01254
8135.0000 -110.01810 -107.81952 2.19857 1.76019 -107.86212 338.11227
8140.0000 -109.78570 -108.09188 1.69381 1.76092 -107.85305 336.36003
8145.0000 -110.04883 -108.15144 1.89738 1.75405 -107.93865 328.85945
8150.0000 -109.80079 -107.65773 2.14306 1.76839 -107.75992 342.16118
8155.0000 -109.94207 -107.75489 2.18718 1.76194 -107.84035 337.50166
8160.0000 -109.71284 -107.45583 2.25702 1.78475 -107.55606 355.82239
8165.0000 -109.59731 -107.73923 1.85808 1.79848 -107.38491 375.09862
8170.0000 -109.46975 -107.22564 2.24411 1.78099 -107.60288 359.27025
8175.0000 -109.07313 -107.28691 1.78622 1.81005 -107.24069 374.06095
8180.0000 -109.72488 -107.62212 2.10277 1.79259 -107.45825 358.56714
8185.0000 -109.54296 -107.90759 1.63537 1.78198 -107.59052 347.10511
8190.0000 -109.42410 -107.75825 1.66584 1.75492 -107.92777 326.83595
8195.0000 -109.68262 -107.94716 1.73546 1.76075 -107.85520 327.99169
8200.0000 -109.61929 -107.99976 1.61953 1.75923 -107.87411 327.76627
8205.0000 -109.40318 -107.72216 1.68102 1.76237 -107.83494 331.18862
8210.0000 -109.38751 -107.03168 2.35583 1.80407 -107.31521 373.66173
8215.0000 -109.12690 -106.93818 2.18872 1.84670 -106.78386 393.94300
8220.0000 -109.46551 -107.08834 2.37717 1.81189 -107.21774 366.36815
8225.0000 -108.72784 -107.00578 1.72206 1.81919 -107.12678 362.48941
8230.0000 -109.25284 -107.13090 2.12193 1.84562 -106.79733 400.13928
8235.0000 -109.29173 -107.23565 2.05608 1.80376 -107.31910 357.75139
8240.0000 -109.28321 -107.25961 2.02360 1.80024 -107.36299 368.83852
8245.0000 -109.65121 -107.83628 1.81493 1.78376 -107.56831 359.41506
8250.0000 -109.79641 -107.76680 2.02961 1.74455 -108.05710 315.42318
FREEZING PROCESS: loop number 34 T-loop= 338.00000000000000
main_MD> interactions number 34 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.68994 1.89590 -0.82169
force_rgl> df(natom) 0.00631 1.78572 1.67105
8255.0000 -109.53153 -107.50485 2.02669 1.77782 -107.64238 352.21174
8260.0000 -109.85301 -107.71211 2.14090 1.77874 -107.63086 345.43581
8265.0000 -109.79743 -108.33473 1.46270 1.74621 -108.03638 314.36085
8270.0000 -109.86681 -108.07620 1.79061 1.72650 -108.28199 293.51169
8275.0000 -109.56391 -107.69210 1.87181 1.76840 -107.75981 335.08803
8280.0000 -109.95379 -108.07113 1.88266 1.76090 -107.85328 328.96918
8285.0000 -110.14303 -108.43549 1.70755 1.71428 -108.43427 299.66377
8290.0000 -109.77870 -108.09308 1.68562 1.71640 -108.40784 305.07404
8295.0000 -109.79600 -107.88982 1.90618 1.74628 -108.03554 333.88342
8300.0000 -110.14112 -108.10839 2.03273 1.72159 -108.34323 310.58712
8305.0000 -110.16380 -107.87998 2.28382 1.74912 -108.00006 342.25831
8310.0000 -110.14202 -108.03519 2.10683 1.74700 -108.02651 333.26567
8315.0000 -109.63721 -107.88532 1.75189 1.76241 -107.83448 354.53768
8320.0000 -109.81925 -108.00256 1.81669 1.75721 -107.89929 344.20818
8325.0000 -109.92877 -108.43908 1.48969 1.72716 -108.27378 312.43463
8330.0000 -109.71081 -107.65845 2.05236 1.75291 -107.95291 340.53878
8335.0000 -109.51847 -107.57422 1.94424 1.80126 -107.35019 378.48292
8340.0000 -109.95118 -108.21025 1.74093 1.75479 -107.92939 345.70970
8345.0000 -109.86106 -108.36114 1.49992 1.73322 -108.19827 325.20186
8350.0000 -110.02306 -108.00845 2.01462 1.75914 -107.87517 352.45334
8355.0000 -109.70270 -108.13606 1.56664 1.74534 -108.04720 332.04101
8360.0000 -110.21843 -108.18245 2.03599 1.72647 -108.28241 314.10158
8365.0000 -109.76263 -107.91452 1.84811 1.73816 -108.13675 331.04782
8370.0000 -109.33247 -107.67551 1.65696 1.75289 -107.95305 333.45687
8375.0000 -109.91154 -107.70709 2.20445 1.76467 -107.80624 358.33833
8380.0000 -109.91303 -108.12126 1.79177 1.77995 -107.61583 362.95943
8385.0000 -110.01551 -107.92623 2.08928 1.73031 -108.23448 319.33628
8390.0000 -109.38037 -107.49395 1.88642 1.77861 -107.63251 360.72101
8395.0000 -110.06266 -108.32138 1.74128 1.75546 -107.92108 334.57125
8400.0000 -110.20452 -108.30839 1.89613 1.71975 -108.36608 308.54678
8405.0000 -110.18157 -108.46898 1.71259 1.70361 -108.56731 293.31289
8410.0000 -110.27861 -108.49396 1.78465 1.71570 -108.41667 301.63978
8415.0000 -110.43007 -108.27863 2.15144 1.72417 -108.31099 317.82692
8420.0000 -109.98739 -107.90675 2.08064 1.72669 -108.27963 313.66292
8425.0000 -109.51021 -107.77650 1.73371 1.76440 -107.80969 351.77324
8430.0000 -110.14470 -108.12690 2.01780 1.77676 -107.65562 366.75228
8435.0000 -109.92143 -108.29889 1.62254 1.73252 -108.20698 324.00995
8440.0000 -109.81701 -108.02581 1.79121 1.73985 -108.11564 319.83228
8445.0000 -109.99572 -108.25698 1.73874 1.75368 -107.94328 326.96036
8450.0000 -109.72660 -108.05624 1.67036 1.74223 -108.08596 318.76746
8455.0000 -109.69535 -108.13689 1.55846 1.72996 -108.23892 303.06351
8460.0000 -110.34187 -108.15008 2.19180 1.73423 -108.18571 312.17534
8465.0000 -109.91335 -107.79735 2.11600 1.75362 -107.94396 331.32791
8470.0000 -109.28786 -107.05216 2.23570 1.78411 -107.56405 353.83850
8475.0000 -109.78562 -107.43248 2.35314 1.80568 -107.29510 378.90662
8480.0000 -109.32079 -107.49400 1.82679 1.78781 -107.51793 368.67537
8485.0000 -109.37149 -107.82697 1.54452 1.77589 -107.66642 345.86630
8490.0000 -109.62337 -107.77313 1.85024 1.77514 -107.67577 347.39181
8495.0000 -109.72082 -107.22852 2.49231 1.77903 -107.62734 357.82558
8500.0000 -109.00396 -106.98586 2.01810 1.80910 -107.25249 383.05183
FREEZING PROCESS: loop number 35 T-loop= 313.00000000000000
main_MD> interactions number 35 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65755 -2.71748 1.07372
force_rgl> df(natom) 0.70996 -1.93069 0.72449
8505.0000 -109.96190 -108.05065 1.91125 1.78811 -107.51415 363.45371
8510.0000 -110.17434 -108.49329 1.68104 1.72570 -108.29203 300.22890
8515.0000 -110.03706 -108.13819 1.89887 1.71159 -108.46781 280.44280
8520.0000 -110.13403 -108.47803 1.65600 1.71418 -108.43560 288.88510
8525.0000 -109.96840 -108.19327 1.77513 1.73579 -108.16628 313.49241
8530.0000 -109.89323 -108.15896 1.73427 1.72681 -108.27817 298.13099
8535.0000 -110.14071 -108.31675 1.82396 1.74037 -108.10920 324.56044
8540.0000 -109.93998 -108.35096 1.58902 1.72614 -108.28649 303.38521
8545.0000 -109.78281 -107.71459 2.06822 1.73715 -108.14927 311.47383
8550.0000 -110.15850 -108.41397 1.74453 1.73509 -108.17496 307.70364
8555.0000 -109.79763 -108.28884 1.50878 1.72719 -108.27345 299.65422
8560.0000 -110.11707 -108.26120 1.85587 1.72345 -108.31998 297.76650
8565.0000 -110.06565 -108.59375 1.47190 1.71276 -108.45324 290.72642
8570.0000 -110.41399 -108.75606 1.65793 1.70259 -108.57995 289.35550
8575.0000 -110.60252 -108.54240 2.06012 1.69789 -108.63864 288.69057
8580.0000 -110.56620 -108.61277 1.95343 1.70427 -108.55904 300.86389
8585.0000 -110.15729 -108.72110 1.43619 1.70286 -108.57665 293.88832
8590.0000 -110.01703 -107.41600 2.60103 1.74125 -108.09820 332.83300
8595.0000 -109.62958 -107.76279 1.86679 1.78625 -107.53728 371.53844
8600.0000 -110.49773 -108.84761 1.65012 1.73206 -108.21276 317.50941
8605.0000 -110.14904 -108.33105 1.81799 1.70422 -108.55969 292.71918
8610.0000 -109.73021 -107.91119 1.81902 1.73494 -108.17683 332.27438
8615.0000 -110.30729 -108.84056 1.46673 1.71610 -108.41159 306.46527
8620.0000 -110.43180 -108.74476 1.68704 1.70393 -108.56337 288.06015
8625.0000 -110.01284 -108.29791 1.71493 1.69448 -108.68106 278.05321
8630.0000 -110.03282 -108.54196 1.49086 1.71503 -108.42494 295.72251
8635.0000 -109.84058 -108.53236 1.30822 1.71111 -108.47381 280.89547
8640.0000 -110.26695 -108.59456 1.67239 1.70468 -108.55399 275.42634
8645.0000 -109.92747 -108.26835 1.65912 1.72886 -108.25258 319.57809
8650.0000 -110.48067 -108.43585 2.04482 1.71613 -108.41124 313.21117
8655.0000 -110.09790 -108.49807 1.59983 1.71080 -108.47771 294.41519
8660.0000 -110.10721 -108.36292 1.74428 1.70619 -108.53509 298.04234
8665.0000 -110.09091 -108.43715 1.65376 1.72575 -108.29134 320.19084
8670.0000 -110.28382 -108.69638 1.58743 1.70793 -108.51351 299.45582
8675.0000 -109.88852 -108.30995 1.57857 1.71026 -108.48445 299.16576
8680.0000 -110.05107 -108.07437 1.97670 1.72815 -108.26141 321.98167
8685.0000 -110.45279 -108.43793 2.01486 1.72324 -108.32269 314.06835
8690.0000 -109.99144 -107.89130 2.10014 1.75231 -107.96031 346.40151
8695.0000 -109.89954 -108.04090 1.85864 1.73189 -108.21484 320.96765
8700.0000 -109.88242 -108.11577 1.76665 1.74071 -108.10485 333.53365
8705.0000 -109.80924 -107.98656 1.82268 1.74260 -108.08130 333.33891
8710.0000 -109.93643 -108.24558 1.69085 1.73996 -108.11425 328.57011
8715.0000 -109.85112 -108.40002 1.45110 1.73213 -108.21190 318.08422
8720.0000 -110.28190 -108.45870 1.82319 1.72381 -108.31554 310.80113
8725.0000 -110.14747 -108.02852 2.11894 1.72268 -108.32966 308.22752
8730.0000 -109.84628 -107.93364 1.91264 1.74706 -108.02575 331.33138
8735.0000 -109.84383 -107.94871 1.89512 1.74251 -108.08243 334.38859
8740.0000 -109.64112 -107.91599 1.72514 1.74811 -108.01263 341.43411
8745.0000 -110.13972 -108.28248 1.85724 1.71882 -108.37770 308.40278
8750.0000 -109.92470 -108.05651 1.86818 1.72316 -108.32366 313.74670
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 50.8350503 [s].
main_MD> Deallocating global variables
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