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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_25/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_25.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 = 25 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 25 2500
main_MD> Size of nv and nvoiz: 25 2500
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 = 25
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> -3.6135653699675745E-002 -0.14586704756285740 -0.16410462975352658 initial drift of cluster / NP1 for coalescence
init> 0.36660153656972388 0.40608772808780863 0.27409339961924639 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5495450644191262E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.51306 -2.03620 0.31743
force_rgl> df(natom) 0.43076 1.60284 -3.50288
preparo> THERMALIZATION PROCESS AT 1102.1088909842119
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -51.538221281816377 2.2623879524107626 -53.800609234227139 5.8866388380547066E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 31
FREEZING PROCESS: loop number 1 T-loop= 1068.0000000000000
main_MD> interactions number 1 at Temperature= 1068.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70374 0.25414 -1.11923
force_rgl> df(natom) 1.50328 0.16579 1.06785
5.0000 -55.98320 -52.24434 3.73886 2.55084 -51.94063 1172.03619
10.0000 -55.54257 -52.31890 3.22367 2.49569 -52.41214 1079.33189
15.0000 -57.70865 -54.12337 3.58529 2.33832 -53.75768 948.37117
20.0000 -57.21097 -53.25833 3.95263 2.34095 -53.73520 952.54448
25.0000 -55.79664 -52.65905 3.13759 2.40257 -53.20830 1071.03447
30.0000 -56.48045 -53.47572 3.00472 2.45027 -52.80045 1143.27250
35.0000 -56.53593 -53.24977 3.28616 2.31145 -53.98741 958.47420
40.0000 -56.29593 -52.41779 3.87814 2.45146 -52.79034 1044.48376
45.0000 -55.71108 -52.80167 2.90941 2.47220 -52.61296 1060.32208
50.0000 -55.94357 -52.41336 3.53021 2.41174 -53.12993 1016.30680
55.0000 -56.44350 -53.31735 3.12615 2.44319 -52.86099 1086.07115
60.0000 -57.31054 -54.46461 2.84593 2.27736 -54.27889 1021.98049
65.0000 -57.41460 -54.29053 3.12408 2.32046 -53.91035 1017.71881
70.0000 -56.06712 -53.76255 2.30457 2.34419 -53.70744 983.09992
75.0000 -57.19161 -53.41164 3.77997 2.36800 -53.50391 992.61925
80.0000 -55.65794 -52.26201 3.39593 2.37679 -53.42877 1051.02668
85.0000 -55.56831 -52.63212 2.93619 2.46117 -52.70727 1132.94879
90.0000 -55.77401 -52.38711 3.38690 2.48184 -52.53060 1055.98795
95.0000 -55.12222 -51.02335 4.09887 2.60603 -51.46872 1161.47146
100.0000 -57.05596 -53.32696 3.72899 2.45636 -52.74841 1129.51227
105.0000 -56.42536 -53.42441 3.00095 2.32601 -53.86289 977.01499
110.0000 -57.38756 -53.71082 3.67674 2.39954 -53.23425 1039.69665
115.0000 -57.02495 -52.94437 4.08058 2.39979 -53.23205 1052.65873
120.0000 -57.19724 -53.86445 3.33278 2.37475 -53.44614 999.63284
125.0000 -57.89120 -54.04941 3.84178 2.33896 -53.75216 996.32650
130.0000 -56.43954 -53.16360 3.27594 2.32323 -53.88669 965.30207
135.0000 -57.44472 -53.02573 4.41899 2.47260 -52.60954 1138.24970
140.0000 -57.17472 -54.34024 2.83447 2.39442 -53.27803 1017.26701
145.0000 -57.79265 -54.84149 2.95116 2.21614 -54.80229 842.71387
150.0000 -56.49357 -53.06073 3.43284 2.31074 -53.99344 964.91387
155.0000 -56.47110 -53.35520 3.11590 2.36490 -53.53038 1013.16280
160.0000 -57.12994 -53.17733 3.95260 2.39298 -53.29034 1019.85491
165.0000 -56.23706 -52.72483 3.51223 2.47415 -52.59632 1077.44762
170.0000 -54.53965 -50.14774 4.39192 2.64818 -51.10835 1302.44707
175.0000 -55.44443 -52.15679 3.28764 2.58591 -51.64079 1266.25812
180.0000 -56.99001 -54.01502 2.97499 2.39912 -53.23779 1024.05730
185.0000 -55.75935 -53.30025 2.45911 2.41100 -53.13621 994.23983
190.0000 -55.83992 -52.98697 2.85295 2.41542 -53.09849 1061.72472
195.0000 -57.33861 -54.21733 3.12128 2.34007 -53.74273 980.69981
200.0000 -56.73658 -53.64936 3.08722 2.30090 -54.07759 896.73230
205.0000 -57.22112 -53.58470 3.63643 2.42848 -52.98681 1079.83137
210.0000 -56.41101 -53.45699 2.95402 2.38334 -53.37277 989.32422
215.0000 -55.69049 -51.78717 3.90332 2.44408 -52.85337 1057.68594
220.0000 -56.55225 -53.70093 2.85132 2.50254 -52.35357 1127.21432
225.0000 -56.08925 -52.86765 3.22160 2.36092 -53.56440 949.18502
230.0000 -57.76813 -54.55667 3.21145 2.45103 -52.79400 1129.05593
235.0000 -58.08059 -53.87734 4.20325 2.28562 -54.20823 976.40450
240.0000 -56.15955 -52.60282 3.55674 2.38559 -53.35352 1074.78256
245.0000 -56.41649 -54.11149 2.30500 2.44049 -52.88410 1048.92152
250.0000 -57.23212 -54.56890 2.66321 2.28579 -54.20675 927.51013
FREEZING PROCESS: loop number 2 T-loop= 1043.0000000000000
main_MD> interactions number 2 at Temperature= 1043.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.75556 -1.17644 -0.52816
force_rgl> df(natom) -0.54508 1.48229 1.22029
255.0000 -57.84737 -54.87644 2.97093 2.25636 -54.45836 859.65532
260.0000 -56.54574 -52.43412 4.11163 2.30616 -54.03262 934.99829
265.0000 -57.05869 -54.26398 2.79471 2.40343 -53.20099 1015.16572
270.0000 -55.94261 -52.48086 3.46175 2.43679 -52.91574 1063.76438
275.0000 -56.88523 -53.47673 3.40851 2.44457 -52.84919 1057.94900
280.0000 -56.73668 -52.61608 4.12060 2.45448 -52.76447 1097.62388
285.0000 -56.52391 -53.55451 2.96940 2.43329 -52.94565 1037.59971
290.0000 -55.95709 -52.81078 3.14632 2.43801 -52.90528 1040.71283
295.0000 -57.10775 -54.57381 2.53394 2.36206 -53.55470 967.65750
300.0000 -56.89891 -54.23843 2.66048 2.24375 -54.56623 855.40386
305.0000 -57.09581 -53.56633 3.52948 2.34605 -53.69152 990.38001
310.0000 -57.68103 -53.37505 4.30598 2.42548 -53.01242 1021.05143
315.0000 -55.64160 -51.60348 4.03812 2.40814 -53.16065 919.45498
320.0000 -56.03088 -52.01227 4.01861 2.56278 -51.83857 1136.26982
325.0000 -55.88804 -52.54273 3.34532 2.46626 -52.66381 1065.62031
330.0000 -56.94803 -52.52712 4.42091 2.54439 -51.99574 1133.23193
335.0000 -57.15835 -53.56165 3.59670 2.46416 -52.68171 1082.84311
340.0000 -55.19285 -52.27439 2.91846 2.39849 -53.24323 1044.84665
345.0000 -56.25033 -53.51141 2.73893 2.45671 -52.74544 1108.13425
350.0000 -56.24443 -52.40083 3.84360 2.47301 -52.60610 1099.83442
355.0000 -56.03956 -52.64199 3.39757 2.44638 -52.83372 1039.10694
360.0000 -56.35688 -52.92072 3.43616 2.50867 -52.30119 1104.84587
365.0000 -56.87866 -52.68042 4.19824 2.50122 -52.36485 1116.80601
370.0000 -55.68500 -52.13814 3.54686 2.46164 -52.70330 1060.49901
375.0000 -55.67839 -52.28190 3.39648 2.50338 -52.34636 1117.22180
380.0000 -56.30562 -53.01798 3.28764 2.51021 -52.28797 1067.06630
385.0000 -55.99314 -53.13463 2.85851 2.45031 -52.80010 1091.27164
390.0000 -56.86656 -52.13782 4.72874 2.46559 -52.66951 1167.73586
395.0000 -55.35985 -51.82843 3.53142 2.51120 -52.27956 1127.34518
400.0000 -57.54898 -53.00056 4.54842 2.56153 -51.84926 1176.15702
405.0000 -56.34145 -52.95600 3.38545 2.45890 -52.72666 1068.38440
410.0000 -58.03086 -55.02408 3.00678 2.31430 -53.96298 978.55718
415.0000 -56.38023 -53.46624 2.91399 2.23198 -54.66685 873.50074
420.0000 -57.91694 -54.85604 3.06090 2.28347 -54.22664 953.02894
425.0000 -57.39821 -53.99568 3.40252 2.28465 -54.21656 947.97127
430.0000 -56.47492 -53.29056 3.18436 2.38115 -53.39143 1045.88868
435.0000 -56.28142 -52.03385 4.24757 2.51915 -52.21160 1154.37508
440.0000 -56.04710 -52.87225 3.17484 2.54395 -51.99953 1208.18527
445.0000 -56.88580 -53.68456 3.20124 2.40497 -53.18784 1000.97051
450.0000 -56.77195 -53.29772 3.47422 2.43467 -52.93388 1023.72705
455.0000 -57.35643 -54.02630 3.33013 2.34109 -53.73395 998.65767
460.0000 -55.25045 -51.75113 3.49932 2.44429 -52.85166 1104.68913
465.0000 -55.42804 -51.81694 3.61110 2.57655 -51.72082 1169.26252
470.0000 -55.72659 -51.22427 4.50232 2.57731 -51.71428 1228.05290
475.0000 -55.68934 -52.55300 3.13634 2.64845 -51.10603 1251.02204
480.0000 -56.00756 -52.66570 3.34186 2.49745 -52.39714 1140.26187
485.0000 -56.73141 -52.86694 3.86447 2.39681 -53.25758 998.35232
490.0000 -56.79674 -54.11457 2.68217 2.36612 -53.51995 968.61002
495.0000 -56.81160 -53.60515 3.20645 2.29059 -54.16570 960.99000
500.0000 -57.46673 -53.37270 4.09403 2.38284 -53.37696 1053.04486
FREEZING PROCESS: loop number 3 T-loop= 1018.0000000000000
main_MD> interactions number 3 at Temperature= 1018.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.69645 -0.80507 1.97328
force_rgl> df(natom) 2.71177 2.79561 -1.06291
505.0000 -56.24330 -52.41778 3.82552 2.44638 -52.83376 1116.85955
510.0000 -56.25883 -53.14953 3.10930 2.45737 -52.73975 1011.97521
515.0000 -56.09280 -52.34544 3.74736 2.45261 -52.78045 1090.08257
520.0000 -56.96259 -53.59167 3.37092 2.40800 -53.16191 1108.40765
525.0000 -57.02742 -54.08382 2.94360 2.31753 -53.93536 990.63073
530.0000 -56.71500 -53.61223 3.10277 2.28344 -54.22690 884.56768
535.0000 -57.13820 -53.85157 3.28662 2.34619 -53.69035 960.23684
540.0000 -55.72246 -51.77214 3.95032 2.37964 -53.40439 1027.03309
545.0000 -56.50947 -53.20272 3.30675 2.58925 -51.61219 1227.48449
550.0000 -55.51496 -52.25790 3.25706 2.49034 -52.45785 1093.96277
555.0000 -56.67098 -52.54372 4.12727 2.49203 -52.44347 1098.45442
560.0000 -55.96507 -53.21562 2.74945 2.44024 -52.88625 1080.90241
565.0000 -56.68726 -52.22826 4.45900 2.46479 -52.67631 1113.23772
570.0000 -56.01673 -53.19761 2.81912 2.41949 -53.06366 993.33712
575.0000 -57.09258 -53.63913 3.45345 2.37353 -53.45663 1030.75329
580.0000 -56.16018 -52.94532 3.21486 2.38898 -53.32450 1073.74062
585.0000 -55.42517 -52.70026 2.72491 2.47811 -52.56242 1078.64553
590.0000 -57.38905 -54.09481 3.29424 2.42496 -53.01687 1097.37684
595.0000 -56.93996 -53.59947 3.34049 2.36723 -53.51044 1020.35970
600.0000 -57.03544 -53.24316 3.79228 2.36310 -53.54579 1018.25455
605.0000 -55.41303 -52.46161 2.95143 2.37437 -53.44943 968.43823
610.0000 -55.07175 -51.74827 3.32348 2.50185 -52.35952 1042.38738
615.0000 -55.54388 -52.75669 2.78719 2.50767 -52.30970 1099.25350
620.0000 -57.40494 -53.81330 3.59164 2.37180 -53.47143 973.63477
625.0000 -58.07803 -54.71026 3.36777 2.28744 -54.19269 928.18019
630.0000 -58.40078 -55.08780 3.31298 2.16446 -55.24413 817.90563
635.0000 -56.74945 -53.90870 2.84076 2.24450 -54.55979 889.11048
640.0000 -56.04587 -51.89992 4.14595 2.40619 -53.17738 1060.01657
645.0000 -56.75449 -53.59231 3.16218 2.50016 -52.37393 1168.29590
650.0000 -57.89642 -54.81480 3.08162 2.26755 -54.36274 901.31503
655.0000 -57.27136 -54.19228 3.07907 2.23881 -54.60845 891.35091
660.0000 -55.73109 -53.14515 2.58594 2.36873 -53.49766 1014.13806
665.0000 -56.27536 -52.85273 3.42264 2.45416 -52.76722 1161.06069
670.0000 -56.20250 -52.90571 3.29679 2.39141 -53.30373 971.80387
675.0000 -56.36719 -52.76823 3.59896 2.44700 -52.82848 1072.52578
680.0000 -55.62651 -52.32078 3.30573 2.46224 -52.69812 1082.43475
685.0000 -56.66287 -53.62647 3.03640 2.47277 -52.60810 1095.70823
690.0000 -57.15359 -53.91831 3.23528 2.38088 -53.39380 1049.50279
695.0000 -56.66625 -53.71322 2.95303 2.27320 -54.31441 852.70178
700.0000 -56.15524 -52.49590 3.65934 2.39255 -53.29395 1038.60424
705.0000 -56.34616 -53.15162 3.19454 2.48853 -52.47335 1129.19322
710.0000 -57.20019 -53.66215 3.53804 2.38549 -53.35434 1070.40184
715.0000 -56.72838 -53.04162 3.68676 2.35758 -53.59298 1020.12573
720.0000 -57.24079 -53.81463 3.42615 2.36412 -53.53708 1051.47855
725.0000 -57.05997 -53.57780 3.48216 2.33650 -53.77321 965.43961
730.0000 -55.88726 -53.17068 2.71657 2.48111 -52.53681 1088.10831
735.0000 -55.20742 -52.30484 2.90258 2.43499 -52.93111 985.92526
740.0000 -56.91340 -53.53783 3.37557 2.41566 -53.09637 1054.49595
745.0000 -57.20403 -54.95242 2.25162 2.23383 -54.65101 894.62399
750.0000 -56.45241 -52.96910 3.48331 2.31568 -53.95125 953.72904
FREEZING PROCESS: loop number 4 T-loop= 993.00000000000000
main_MD> interactions number 4 at Temperature= 993.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.89668 3.63011 2.65061
force_rgl> df(natom) 2.16673 1.45017 1.20810
755.0000 -55.93713 -52.55395 3.38318 2.50423 -52.33911 1127.45223
760.0000 -56.86221 -54.05085 2.81135 2.39152 -53.30278 983.40154
765.0000 -57.54137 -53.45949 4.08188 2.29220 -54.15201 915.18506
770.0000 -55.11923 -52.02628 3.09295 2.39263 -53.29326 995.12069
775.0000 -56.76498 -54.43786 2.32711 2.39499 -53.27313 1029.75449
780.0000 -57.23277 -54.00454 3.22824 2.29436 -54.13351 920.52919
785.0000 -57.64675 -54.98922 2.65753 2.29187 -54.15483 955.50967
790.0000 -56.81360 -53.84925 2.96435 2.29270 -54.14769 933.34848
795.0000 -56.81680 -53.25629 3.56051 2.40937 -53.15016 1072.78467
800.0000 -57.41879 -53.40635 4.01244 2.36269 -53.54925 959.63859
805.0000 -57.26623 -53.99274 3.27349 2.36013 -53.57115 1039.46871
810.0000 -56.85950 -53.94124 2.91825 2.32643 -53.85935 981.23561
815.0000 -57.04196 -52.96901 4.07294 2.36861 -53.49869 997.65831
820.0000 -56.15042 -51.37389 4.77653 2.48194 -52.52969 1187.67808
825.0000 -56.42866 -52.00032 4.42834 2.57379 -51.74441 1134.40416
830.0000 -56.37206 -52.75306 3.61900 2.46559 -52.66950 1053.69882
835.0000 -56.94466 -53.36106 3.58360 2.38706 -53.34092 1069.85916
840.0000 -57.10193 -53.60941 3.49252 2.39065 -53.31027 1061.67225
845.0000 -56.43224 -53.10630 3.32594 2.38650 -53.34569 985.05714
850.0000 -56.22179 -52.63681 3.58498 2.42783 -52.99235 1023.58146
855.0000 -55.95554 -52.52228 3.43325 2.43952 -52.89240 1128.54941
860.0000 -56.40807 -52.63348 3.77460 2.47215 -52.61340 1051.93213
865.0000 -56.89435 -53.85998 3.03437 2.35872 -53.58320 972.72322
870.0000 -57.20793 -54.30422 2.90371 2.38743 -53.33773 1018.64643
875.0000 -57.79867 -54.66526 3.13341 2.24723 -54.53645 885.63378
880.0000 -57.21776 -53.43790 3.77985 2.32360 -53.88350 956.02930
885.0000 -56.67340 -53.66061 3.01279 2.40142 -53.21813 1038.50761
890.0000 -55.99202 -53.37213 2.61988 2.35296 -53.63250 1005.85573
895.0000 -55.87131 -52.26479 3.60651 2.39391 -53.28236 988.77010
900.0000 -56.75337 -53.46494 3.28843 2.38197 -53.38442 1010.64947
905.0000 -56.92304 -53.74611 3.17693 2.39218 -53.29719 1010.92986
910.0000 -56.43436 -53.78373 2.65063 2.31020 -53.99809 960.32903
915.0000 -56.51022 -53.14674 3.36348 2.29971 -54.08775 967.97629
920.0000 -57.18627 -52.56581 4.62046 2.40502 -53.18737 1015.14939
925.0000 -56.98969 -53.41383 3.57586 2.46428 -52.68069 1131.38789
930.0000 -55.70873 -52.90622 2.80251 2.39650 -53.26018 1026.46603
935.0000 -56.13831 -52.32815 3.81016 2.49436 -52.42355 1118.35735
940.0000 -56.24133 -53.45622 2.78510 2.36180 -53.55688 1001.81229
945.0000 -56.22932 -52.71472 3.51460 2.39768 -53.25016 1041.44936
950.0000 -55.17460 -52.32388 2.85071 2.48964 -52.46385 1135.92698
955.0000 -55.83750 -53.16339 2.67410 2.44120 -52.87805 1058.94824
960.0000 -56.96556 -53.72863 3.23693 2.38844 -53.32911 1086.42123
965.0000 -56.11684 -52.92259 3.19425 2.41333 -53.11633 1043.88168
970.0000 -55.82385 -53.24073 2.58312 2.43831 -52.90277 1053.31905
975.0000 -56.94258 -54.10132 2.84126 2.42750 -52.99516 1048.13677
980.0000 -55.80553 -52.45808 3.34744 2.36837 -53.50072 949.58206
985.0000 -56.10473 -52.54204 3.56269 2.49922 -52.38195 1173.93417
990.0000 -57.73509 -54.98886 2.74623 2.28452 -54.21761 950.29801
995.0000 -57.10429 -54.82123 2.28306 2.18326 -55.08339 837.25597
1000.0000 -57.69131 -54.12603 3.56528 2.27277 -54.31806 916.44598
FREEZING PROCESS: loop number 5 T-loop= 968.00000000000000
main_MD> interactions number 5 at Temperature= 968.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.64385 -1.08197 6.06727
force_rgl> df(natom) -4.70828 -1.96205 1.58107
1005.0000 -57.03498 -53.62621 3.40877 2.33609 -53.77675 960.59911
1010.0000 -57.11759 -54.36557 2.75202 2.37340 -53.45776 994.57895
1015.0000 -57.05271 -54.63727 2.41544 2.23028 -54.68139 895.14937
1020.0000 -57.37133 -53.76653 3.60480 2.31523 -53.95510 982.57803
1025.0000 -56.07910 -53.62599 2.45311 2.30378 -54.05298 988.50325
1030.0000 -57.62825 -53.82326 3.80499 2.33312 -53.80214 980.17308
1035.0000 -56.82432 -53.30771 3.51661 2.35866 -53.58373 1000.62509
1040.0000 -55.03971 -51.42594 3.61377 2.50141 -52.36328 1125.38463
1045.0000 -57.52184 -52.93893 4.58291 2.52969 -52.12144 1201.00590
1050.0000 -55.27139 -51.81449 3.45690 2.50415 -52.33982 1141.86338
1055.0000 -57.13852 -54.11281 3.02571 2.41726 -53.08276 1068.43433
1060.0000 -56.53138 -53.19299 3.33839 2.26088 -54.41976 933.06615
1065.0000 -56.02072 -52.19626 3.82447 2.44843 -52.81619 1033.81907
1070.0000 -57.68717 -54.88850 2.79867 2.39223 -53.29675 1063.27681
1075.0000 -57.38513 -54.42285 2.96228 2.22236 -54.74911 870.51621
1080.0000 -56.90141 -53.87169 3.02972 2.25457 -54.47369 902.48474
1085.0000 -57.33165 -53.01017 4.32148 2.37995 -53.40171 1046.39380
1090.0000 -55.66586 -52.77129 2.89457 2.44794 -52.82038 1116.43747
1095.0000 -56.17034 -52.52245 3.64789 2.47711 -52.57097 1010.04721
1100.0000 -56.80003 -52.97294 3.82708 2.42949 -52.97818 1071.63200
1105.0000 -57.87079 -54.45968 3.41111 2.32180 -53.89885 984.58174
1110.0000 -57.24060 -54.24652 2.99408 2.22649 -54.71375 864.89121
1115.0000 -57.42810 -54.20958 3.21853 2.29804 -54.10202 958.50092
1120.0000 -57.89892 -53.72465 4.17427 2.43202 -52.95654 1083.00212
1125.0000 -56.54640 -54.28897 2.25743 2.32952 -53.83290 899.02622
1130.0000 -57.17385 -53.96354 3.21030 2.25379 -54.48038 817.21870
1135.0000 -57.02110 -52.70087 4.32023 2.45000 -52.80276 1062.76436
1140.0000 -56.42198 -53.09769 3.32430 2.44653 -52.83248 1079.15003
1145.0000 -56.23308 -52.89635 3.33672 2.44686 -52.82964 1002.46578
1150.0000 -56.02937 -52.37627 3.65310 2.46698 -52.65765 1097.37270
1155.0000 -56.74953 -52.40337 4.34616 2.50623 -52.32203 1173.98162
1160.0000 -56.78969 -52.60162 4.18807 2.49592 -52.41020 1118.75352
1165.0000 -56.11339 -53.12832 2.98507 2.39174 -53.30094 1016.53184
1170.0000 -56.35633 -52.03482 4.32151 2.45119 -52.79260 1083.74543
1175.0000 -56.08975 -53.25975 2.83000 2.52869 -52.13004 1125.91687
1180.0000 -56.17919 -52.11783 4.06137 2.43278 -52.94999 1012.80231
1185.0000 -56.74898 -52.69763 4.05134 2.46056 -52.71247 1133.87197
1190.0000 -55.83006 -53.15755 2.67252 2.39346 -53.28624 1064.88029
1195.0000 -55.80937 -52.18900 3.62037 2.43975 -52.89041 1049.30538
1200.0000 -56.23257 -53.63920 2.59337 2.46744 -52.65365 1049.48300
1205.0000 -57.45695 -54.29823 3.15872 2.39302 -53.28994 1010.58814
1210.0000 -57.07751 -54.87141 2.20610 2.19740 -54.96247 837.06733
1215.0000 -56.44059 -53.80013 2.64046 2.28857 -54.18297 907.01153
1220.0000 -56.44733 -53.45042 2.99690 2.36564 -53.52404 1000.62733
1225.0000 -57.39440 -54.06365 3.33075 2.39363 -53.28479 1047.84284
1230.0000 -57.69022 -54.42511 3.26511 2.31172 -53.98506 870.63381
1235.0000 -56.71106 -53.43985 3.27121 2.25224 -54.49365 896.23418
1240.0000 -56.86109 -54.50146 2.35963 2.28660 -54.19988 934.85577
1245.0000 -57.58047 -54.97434 2.60613 2.24687 -54.53951 847.02609
1250.0000 -56.87366 -53.86984 3.00382 2.24278 -54.57449 858.30531
FREEZING PROCESS: loop number 6 T-loop= 943.00000000000000
main_MD> interactions number 6 at Temperature= 943.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03638 -0.94133 -1.95807
force_rgl> df(natom) -0.71907 -1.35927 1.22600
1255.0000 -56.43964 -53.06322 3.37641 2.34218 -53.72467 1002.85930
1260.0000 -56.62598 -53.55384 3.07214 2.38452 -53.36260 974.02354
1265.0000 -58.02789 -54.51899 3.50891 2.27183 -54.32615 863.41948
1270.0000 -56.97509 -54.34376 2.63132 2.27204 -54.32431 906.47659
1275.0000 -57.78616 -55.30577 2.48039 2.23702 -54.62372 821.47973
1280.0000 -57.62489 -54.23203 3.39287 2.15354 -55.33752 884.13866
1285.0000 -56.26709 -52.48337 3.78372 2.37816 -53.41699 1057.52046
1290.0000 -57.07518 -53.36222 3.71296 2.39626 -53.26227 1023.25047
1295.0000 -56.66695 -52.93668 3.73027 2.40021 -53.22846 1003.29824
1300.0000 -56.79162 -54.09602 2.69560 2.40917 -53.15192 1047.63695
1305.0000 -56.31149 -53.20154 3.10995 2.33868 -53.75458 908.93264
1310.0000 -57.52098 -53.59818 3.92280 2.39424 -53.27954 1042.68817
1315.0000 -57.44566 -55.31279 2.13286 2.27454 -54.30298 864.72103
1320.0000 -57.32152 -53.92680 3.39471 2.27249 -54.32050 871.86580
1325.0000 -57.14509 -54.28312 2.86197 2.26009 -54.42650 917.88181
1330.0000 -56.72873 -54.00336 2.72537 2.25154 -54.49963 927.50644
1335.0000 -55.91399 -52.95918 2.95482 2.39866 -53.24177 970.65669
1340.0000 -56.57611 -54.54912 2.02699 2.31964 -53.91733 894.71739
1345.0000 -57.64747 -54.69872 2.94876 2.20577 -54.89095 816.50895
1350.0000 -56.76342 -53.99242 2.77100 2.21309 -54.82832 839.09026
1355.0000 -56.94561 -53.95590 2.98972 2.28401 -54.22199 985.84176
1360.0000 -57.93776 -54.55822 3.37954 2.23522 -54.63911 853.47208
1365.0000 -57.43084 -54.96567 2.46517 2.23497 -54.64131 892.06679
1370.0000 -57.38635 -54.08589 3.30046 2.21540 -54.80856 849.35072
1375.0000 -56.66595 -53.86996 2.79599 2.31215 -53.98139 920.81946
1380.0000 -57.12309 -53.93352 3.18957 2.29348 -54.14105 976.78823
1385.0000 -57.84593 -54.76531 3.08062 2.29004 -54.17041 893.95928
1390.0000 -57.25031 -54.37391 2.87641 2.24666 -54.54130 925.39563
1395.0000 -57.24272 -54.60486 2.63786 2.20498 -54.89769 835.87594
1400.0000 -56.56949 -53.32064 3.24885 2.32400 -53.88011 962.24880
1405.0000 -56.79158 -53.44049 3.35109 2.29227 -54.15137 924.10603
1410.0000 -56.60071 -53.80707 2.79364 2.32360 -53.88349 989.88132
1415.0000 -56.59163 -54.14640 2.44523 2.27021 -54.34002 901.53226
1420.0000 -56.89066 -53.05076 3.83989 2.40347 -53.20060 1078.59306
1425.0000 -56.82091 -53.62815 3.19276 2.35366 -53.62646 1031.66806
1430.0000 -57.03310 -54.54247 2.49062 2.33497 -53.78626 997.69243
1435.0000 -57.10852 -53.48231 3.62621 2.33943 -53.74819 997.15615
1440.0000 -58.35758 -54.93334 3.42424 2.23110 -54.67434 888.63851
1445.0000 -58.05403 -55.33194 2.72209 2.16158 -55.26879 840.01408
1450.0000 -57.47664 -55.05570 2.42094 2.14904 -55.37598 836.06880
1455.0000 -57.94948 -54.30997 3.63951 2.21812 -54.78538 891.61067
1460.0000 -57.04653 -54.28368 2.76286 2.28960 -54.17416 913.94069
1465.0000 -57.50792 -53.68459 3.82334 2.33821 -53.75859 932.74227
1470.0000 -56.89205 -53.19974 3.69231 2.32992 -53.82945 990.35057
1475.0000 -56.77860 -53.94590 2.83270 2.29393 -54.13715 957.68591
1480.0000 -56.99059 -53.78254 3.20805 2.27395 -54.30799 928.94089
1485.0000 -56.04912 -53.64192 2.40720 2.32941 -53.83378 969.11899
1490.0000 -56.03236 -52.78540 3.24695 2.43557 -52.92617 1010.55088
1495.0000 -56.77245 -53.50283 3.26962 2.38082 -53.39430 1023.61255
1500.0000 -57.02783 -54.22347 2.80436 2.30322 -54.05771 966.59381
FREEZING PROCESS: loop number 7 T-loop= 918.00000000000000
main_MD> interactions number 7 at Temperature= 918.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.35477 1.33945 2.02237
force_rgl> df(natom) 0.19399 1.19094 0.47939
1505.0000 -58.16656 -55.18589 2.98067 2.23990 -54.59913 876.18280
1510.0000 -58.26846 -54.39211 3.87634 2.19883 -54.95027 853.36993
1515.0000 -57.02119 -54.85197 2.16922 2.31893 -53.92346 975.38953
1520.0000 -57.44440 -55.02610 2.41830 2.18379 -55.07884 822.00007
1525.0000 -58.04079 -55.91170 2.12910 2.15930 -55.28821 833.29181
1530.0000 -57.65907 -55.10056 2.55852 2.07875 -55.97698 717.41459
1535.0000 -57.18512 -53.85515 3.32997 2.24560 -54.55043 894.47302
1540.0000 -57.50155 -54.47580 3.02576 2.22507 -54.72590 893.72203
1545.0000 -56.06631 -53.69660 2.36971 2.31666 -53.94280 956.28322
1550.0000 -57.71426 -54.46224 3.25202 2.30196 -54.06855 947.30833
1555.0000 -56.97696 -53.82383 3.15313 2.27834 -54.27050 876.28396
1560.0000 -57.85779 -55.33517 2.52262 2.22417 -54.73362 861.81677
1565.0000 -57.90855 -55.42561 2.48293 2.16525 -55.23740 823.66933
1570.0000 -57.77785 -54.30663 3.47123 2.25301 -54.48702 905.30123
1575.0000 -57.22033 -54.66533 2.55500 2.26340 -54.39817 889.70341
1580.0000 -57.85968 -54.89959 2.96010 2.20906 -54.86281 813.18401
1585.0000 -57.23211 -54.57241 2.65970 2.19392 -54.99222 832.57156
1590.0000 -55.70998 -52.81654 2.89344 2.38918 -53.32281 1035.15413
1595.0000 -56.32011 -53.65980 2.66031 2.43071 -52.96774 1034.80446
1600.0000 -58.19298 -54.77406 3.41892 2.21222 -54.83575 889.95280
1605.0000 -58.10717 -54.78544 3.32173 2.15883 -55.29227 789.40272
1610.0000 -56.67595 -53.86241 2.81354 2.33344 -53.79933 951.46466
1615.0000 -56.15253 -53.37338 2.77915 2.33046 -53.82485 960.60787
1620.0000 -56.40443 -54.04315 2.36128 2.38038 -53.39802 956.59379
1625.0000 -56.68757 -53.86135 2.82623 2.24041 -54.59473 864.30442
1630.0000 -57.85081 -54.82412 3.02669 2.24805 -54.52942 876.46009
1635.0000 -56.46476 -54.28518 2.17958 2.18472 -55.07089 843.49706
1640.0000 -57.24859 -54.73331 2.51528 2.24847 -54.52589 975.27038
1645.0000 -57.34125 -54.49488 2.84637 2.25515 -54.46871 922.57446
1650.0000 -57.65954 -55.67037 1.98917 2.13738 -55.47570 794.94801
1655.0000 -57.89360 -54.88283 3.01077 2.14886 -55.37754 811.38522
1660.0000 -57.63352 -54.76458 2.86894 2.23124 -54.67315 900.15890
1665.0000 -57.91832 -54.90862 3.00971 2.20950 -54.85907 853.40478
1670.0000 -56.73728 -52.88022 3.85706 2.28396 -54.22243 955.55065
1675.0000 -56.36415 -53.09160 3.27255 2.44743 -52.82481 1014.21048
1680.0000 -57.46983 -53.88738 3.58246 2.33871 -53.75431 973.35296
1685.0000 -57.81904 -54.12843 3.69061 2.27440 -54.30419 936.81453
1690.0000 -57.24709 -54.36272 2.88437 2.26715 -54.36615 956.93621
1695.0000 -57.52425 -54.84103 2.68322 2.26592 -54.37664 901.59877
1700.0000 -57.69425 -55.01041 2.68385 2.16205 -55.26475 840.82262
1705.0000 -57.65394 -55.04429 2.60965 2.18425 -55.07491 857.11967
1710.0000 -56.86744 -53.91645 2.95099 2.26395 -54.39354 910.17386
1715.0000 -56.45630 -52.57699 3.87931 2.44394 -52.85463 1060.47074
1720.0000 -57.45480 -54.54887 2.90592 2.40203 -53.21294 1001.02094
1725.0000 -57.21810 -54.29017 2.92792 2.31756 -53.93512 951.44216
1730.0000 -58.11319 -55.15414 2.95905 2.21788 -54.78736 877.49994
1735.0000 -57.29123 -54.37045 2.92078 2.19754 -54.96132 832.18727
1740.0000 -57.82489 -54.73635 3.08854 2.26872 -54.35276 908.23801
1745.0000 -57.34864 -54.72007 2.62857 2.19548 -54.97895 801.97765
1750.0000 -57.80019 -55.46645 2.33375 2.23410 -54.64871 883.04953
FREEZING PROCESS: loop number 8 T-loop= 893.00000000000000
main_MD> interactions number 8 at Temperature= 893.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76969 -1.16982 -1.40061
force_rgl> df(natom) -0.11918 1.02246 0.21713
1755.0000 -57.95101 -54.98497 2.96604 2.17950 -55.11554 822.63421
1760.0000 -57.80012 -55.17305 2.62707 2.17735 -55.13391 809.96528
1765.0000 -57.04359 -55.32409 1.71950 2.13762 -55.47361 760.36874
1770.0000 -57.68085 -54.17926 3.50159 2.20402 -54.90585 892.46473
1775.0000 -56.44821 -53.20939 3.23882 2.38063 -53.39591 1085.59020
1780.0000 -56.48172 -53.25521 3.22651 2.38094 -53.39328 1023.38945
1785.0000 -57.45823 -54.15300 3.30524 2.35048 -53.65368 1005.11706
1790.0000 -58.00590 -55.80767 2.19823 2.22205 -54.75174 849.77362
1795.0000 -57.62847 -54.93422 2.69426 2.14706 -55.39291 822.19584
1800.0000 -56.70080 -54.60086 2.09994 2.23207 -54.66606 874.76975
1805.0000 -57.59180 -54.85594 2.73585 2.20662 -54.88363 843.57183
1810.0000 -58.10046 -55.06537 3.03508 2.23683 -54.62541 904.84853
1815.0000 -58.03570 -54.87046 3.16524 2.20111 -54.93079 849.51397
1820.0000 -57.34323 -53.90536 3.43787 2.21217 -54.83624 870.44500
1825.0000 -57.23808 -54.60117 2.63691 2.31141 -53.98773 923.95680
1830.0000 -57.68318 -54.89605 2.78713 2.22407 -54.73450 880.05254
1835.0000 -58.31505 -55.99117 2.32388 2.10431 -55.75837 751.77282
1840.0000 -57.55609 -54.94737 2.60872 2.10424 -55.75897 790.08971
1845.0000 -57.98732 -55.57852 2.40880 2.18606 -55.05943 834.33028
1850.0000 -57.89323 -55.58503 2.30820 2.10249 -55.77394 752.34751
1855.0000 -57.73127 -55.02038 2.71089 2.20514 -54.89635 818.05295
1860.0000 -58.14143 -55.53966 2.60177 2.18688 -55.05246 860.45081
1865.0000 -57.88789 -55.42957 2.45832 2.17960 -55.11464 867.06583
1870.0000 -57.18656 -54.43010 2.75645 2.23268 -54.66089 913.23977
1875.0000 -57.96985 -55.20733 2.76252 2.14477 -55.41244 809.71598
1880.0000 -55.83949 -53.26442 2.57508 2.27548 -54.29491 902.45009
1885.0000 -57.20477 -54.38674 2.81802 2.29653 -54.11495 956.36435
1890.0000 -57.96468 -54.51020 3.45448 2.31894 -53.92338 973.69135
1895.0000 -57.29973 -54.19658 3.10315 2.25510 -54.46916 950.81505
1900.0000 -58.11391 -54.83578 3.27813 2.22833 -54.69808 933.20803
1905.0000 -56.88174 -53.89940 2.98234 2.22353 -54.73911 871.28515
1910.0000 -55.69950 -53.21287 2.48662 2.33820 -53.75871 933.70613
1915.0000 -56.80218 -53.24852 3.55366 2.36713 -53.51129 1023.18175
1920.0000 -56.61070 -53.48357 3.12713 2.33988 -53.74429 1031.80278
1925.0000 -56.73109 -53.73443 2.99667 2.31199 -53.98276 944.81892
1930.0000 -57.46353 -54.84395 2.61958 2.26967 -54.34459 871.53169
1935.0000 -57.60513 -54.72160 2.88352 2.27152 -54.32876 911.96341
1940.0000 -57.26820 -55.17986 2.08834 2.17572 -55.14784 815.31171
1945.0000 -56.94777 -54.38296 2.56481 2.20564 -54.89207 829.97841
1950.0000 -56.51458 -53.91657 2.59801 2.33665 -53.77194 978.46428
1955.0000 -58.21519 -55.78244 2.43275 2.24675 -54.54052 914.61668
1960.0000 -58.47271 -56.23717 2.23554 2.06268 -56.11433 701.17029
1965.0000 -58.43103 -54.93540 3.49563 2.17434 -55.15963 833.90199
1970.0000 -57.89334 -54.43803 3.45531 2.29380 -54.13827 981.27084
1975.0000 -56.35855 -53.47621 2.88234 2.32157 -53.90086 1009.43819
1980.0000 -56.33465 -53.56306 2.77159 2.33848 -53.75627 984.33306
1985.0000 -56.28871 -53.81030 2.47841 2.38883 -53.32578 1014.50849
1990.0000 -58.33223 -54.68853 3.64370 2.25190 -54.49651 906.01725
1995.0000 -57.59531 -55.09914 2.49616 2.19449 -54.98735 851.86789
2000.0000 -58.70857 -56.34189 2.36668 2.09339 -55.85179 732.65560
FREEZING PROCESS: loop number 9 T-loop= 868.00000000000000
main_MD> interactions number 9 at Temperature= 868.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12685 3.48301 -0.55634
force_rgl> df(natom) -0.99510 2.41537 -0.37435
2005.0000 -57.54130 -55.21136 2.32993 2.14395 -55.41947 804.77005
2010.0000 -57.42391 -54.84412 2.57979 2.17968 -55.11401 837.74109
2015.0000 -56.97314 -54.38856 2.58458 2.24552 -54.55108 869.82007
2020.0000 -57.70997 -54.44542 3.26454 2.25990 -54.42811 917.98240
2025.0000 -58.31763 -55.20608 3.11155 2.21570 -54.80607 859.35491
2030.0000 -57.59305 -54.57925 3.01380 2.17331 -55.16844 845.21652
2035.0000 -58.01692 -55.65812 2.35880 2.16394 -55.24856 808.72559
2040.0000 -58.19512 -55.67227 2.52284 2.07148 -56.03906 737.57336
2045.0000 -57.87399 -55.47816 2.39583 2.14804 -55.38456 826.24947
2050.0000 -57.51932 -55.02675 2.49257 2.17907 -55.11924 819.84267
2055.0000 -58.36282 -55.63493 2.72789 2.22241 -54.74870 901.44924
2060.0000 -58.00924 -54.90285 3.10639 2.19880 -54.95053 851.82985
2065.0000 -56.32985 -53.46704 2.86281 2.30428 -54.04866 958.31224
2070.0000 -58.23642 -55.44539 2.79103 2.25343 -54.48341 907.97331
2075.0000 -57.92908 -54.85459 3.07449 2.18661 -55.05477 858.67054
2080.0000 -57.28018 -54.88450 2.39568 2.19933 -54.94601 862.57862
2085.0000 -57.70987 -54.99955 2.71032 2.17349 -55.16696 850.12437
2090.0000 -58.35486 -55.76282 2.59205 2.13136 -55.52715 792.72589
2095.0000 -58.06450 -53.95805 4.10645 2.12484 -55.58286 792.83524
2100.0000 -58.08576 -54.85094 3.23482 2.24240 -54.57775 876.08800
2105.0000 -58.66793 -55.90415 2.76378 2.20789 -54.87281 858.13458
2110.0000 -58.29732 -56.42528 1.87204 2.05667 -56.16574 711.83485
2115.0000 -58.67007 -55.69197 2.97809 2.08838 -55.89457 756.69885
2120.0000 -56.60507 -53.60341 3.00165 2.23419 -54.64796 881.65794
2125.0000 -57.60538 -54.06962 3.53575 2.31021 -53.99797 943.82573
2130.0000 -57.53581 -55.02422 2.51159 2.22522 -54.72468 846.92211
2135.0000 -56.58426 -54.39318 2.19109 2.28646 -54.20107 938.37164
2140.0000 -57.65764 -55.11644 2.54120 2.22001 -54.76919 854.68112
2145.0000 -58.00877 -55.43023 2.57854 2.18439 -55.07369 792.84684
2150.0000 -57.46567 -55.33641 2.12927 2.19816 -54.95598 808.37221
2155.0000 -58.10996 -55.55440 2.55555 2.18266 -55.08849 824.68798
2160.0000 -58.33760 -55.70795 2.62965 2.11673 -55.65217 761.59393
2165.0000 -58.27358 -55.56617 2.70742 2.09972 -55.79768 783.82356
2170.0000 -57.31208 -54.62742 2.68466 2.12722 -55.56256 814.51587
2175.0000 -58.19692 -55.26491 2.93200 2.21847 -54.78233 883.80094
2180.0000 -56.85543 -54.60501 2.25043 2.18265 -55.08858 825.47645
2185.0000 -57.67883 -54.98862 2.69022 2.20645 -54.88508 827.90755
2190.0000 -56.72103 -54.26218 2.45885 2.25229 -54.49317 858.63678
2195.0000 -56.90101 -54.76840 2.13260 2.27735 -54.27891 811.13371
2200.0000 -58.00927 -54.72115 3.28812 2.19316 -54.99879 870.63517
2205.0000 -56.35902 -53.87537 2.48366 2.21477 -54.81398 856.94437
2210.0000 -57.02314 -54.49526 2.52788 2.25231 -54.49301 929.59852
2215.0000 -57.73139 -54.56383 3.16756 2.19891 -54.94954 788.43475
2220.0000 -57.08814 -54.53300 2.55514 2.23618 -54.63094 873.85156
2225.0000 -57.63889 -54.79867 2.84022 2.26794 -54.35940 888.89094
2230.0000 -57.21095 -54.89622 2.31473 2.19198 -55.00880 784.22320
2235.0000 -56.86437 -53.60301 3.26136 2.24272 -54.57505 827.95159
2240.0000 -57.03398 -54.07144 2.96254 2.29013 -54.16967 866.74369
2245.0000 -57.51799 -54.14473 3.37326 2.30663 -54.02862 836.97314
2250.0000 -56.58852 -54.21110 2.37742 2.32958 -53.83240 928.60437
FREEZING PROCESS: loop number 10 T-loop= 843.00000000000000
main_MD> interactions number 10 at Temperature= 843.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.57050 2.44984 1.42839
force_rgl> df(natom) 2.94722 -3.03275 0.21826
2255.0000 -56.05008 -53.20770 2.84238 2.34886 -53.66750 967.59345
2260.0000 -56.25530 -53.58521 2.67010 2.32245 -53.89336 971.50994
2265.0000 -57.18797 -53.95794 3.23003 2.36239 -53.55184 976.60428
2270.0000 -57.80276 -54.38855 3.41421 2.24766 -54.53280 921.58376
2275.0000 -56.79590 -53.81946 2.97644 2.25529 -54.46755 871.13889
2280.0000 -57.75901 -54.83434 2.92467 2.26377 -54.39502 903.65657
2285.0000 -57.54939 -55.09221 2.45718 2.17057 -55.19189 874.65443
2290.0000 -58.20359 -55.43043 2.77316 2.15102 -55.35904 793.25311
2295.0000 -57.78269 -55.47932 2.30337 2.15722 -55.30604 826.81147
2300.0000 -57.54154 -55.12753 2.41402 2.15044 -55.36398 806.54542
2305.0000 -57.13183 -52.88003 4.25180 2.28511 -54.21262 926.83855
2310.0000 -58.16174 -54.67908 3.48266 2.35884 -53.58217 1012.62309
2315.0000 -58.14505 -55.66237 2.48269 2.14241 -55.43261 785.76273
2320.0000 -58.33602 -55.93030 2.40571 2.08870 -55.89185 758.96353
2325.0000 -57.46724 -54.27627 3.19097 2.09594 -55.82998 742.82009
2330.0000 -58.61541 -54.55982 4.05560 2.19613 -54.97332 862.27081
2335.0000 -58.42527 -56.22742 2.19784 2.13486 -55.49717 782.37123
2340.0000 -57.65458 -55.20710 2.44748 2.13062 -55.53347 808.93333
2345.0000 -56.91229 -54.20175 2.71054 2.22363 -54.73823 846.75613
2350.0000 -57.35321 -54.44276 2.91045 2.28480 -54.21520 944.71229
2355.0000 -58.16358 -55.05401 3.10957 2.27919 -54.26316 926.55894
2360.0000 -57.59644 -54.48119 3.11524 2.20901 -54.86322 821.23847
2365.0000 -58.08809 -55.18985 2.89824 2.25762 -54.44759 912.95314
2370.0000 -58.47289 -55.55208 2.92081 2.23837 -54.61222 853.68114
2375.0000 -57.87060 -55.63285 2.23775 2.18867 -55.03712 854.37476
2380.0000 -58.35073 -55.99751 2.35323 2.11773 -55.64363 727.58595
2385.0000 -58.71817 -56.58174 2.13643 2.05049 -56.21857 706.35900
2390.0000 -58.02985 -55.38232 2.64753 2.09890 -55.80463 783.55161
2395.0000 -57.94159 -55.43234 2.50924 2.14897 -55.37654 823.44200
2400.0000 -58.15507 -55.86153 2.29354 2.16079 -55.27547 816.49893
2405.0000 -58.43242 -55.48568 2.94673 2.14858 -55.37990 826.95229
2410.0000 -57.72520 -54.97420 2.75100 2.13459 -55.49953 760.35115
2415.0000 -57.83959 -54.95674 2.88285 2.14469 -55.41317 849.26446
2420.0000 -56.76963 -54.45231 2.31732 2.21653 -54.79890 851.34517
2425.0000 -57.54192 -55.03324 2.50868 2.23505 -54.64060 779.25646
2430.0000 -57.95997 -55.32815 2.63182 2.17597 -55.14570 776.91897
2435.0000 -57.68857 -55.78409 1.90448 2.17293 -55.17168 835.03729
2440.0000 -57.05099 -54.49234 2.55865 2.17471 -55.15652 799.59091
2445.0000 -57.27463 -54.09693 3.17769 2.24181 -54.58278 836.31076
2450.0000 -56.94554 -53.78235 3.16319 2.33628 -53.77510 937.09751
2455.0000 -57.64681 -54.44836 3.19845 2.32129 -53.90326 924.17057
2460.0000 -58.09293 -55.05572 3.03721 2.16717 -55.22099 808.56524
2465.0000 -57.85024 -55.41525 2.43499 2.14344 -55.42388 813.77436
2470.0000 -56.93633 -54.89835 2.03798 2.15413 -55.33245 823.44834
2475.0000 -57.99851 -55.59153 2.40698 2.14945 -55.37246 785.84298
2480.0000 -58.13447 -55.55779 2.57668 2.15315 -55.34083 802.10537
2485.0000 -57.99597 -55.17542 2.82054 2.14093 -55.44528 807.00010
2490.0000 -57.44395 -55.30088 2.14307 2.15307 -55.34154 799.46451
2495.0000 -57.73317 -55.33186 2.40131 2.21577 -54.80543 800.90172
2500.0000 -57.54507 -55.28599 2.25908 2.17089 -55.18916 814.63696
FREEZING PROCESS: loop number 11 T-loop= 818.00000000000000
main_MD> interactions number 11 at Temperature= 818.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.95390 -5.32270 -2.98886
force_rgl> df(natom) -0.41209 0.84269 0.02356
2505.0000 -57.41185 -54.35378 3.05807 2.21436 -54.81748 836.64571
2510.0000 -57.12544 -54.77887 2.34657 2.25292 -54.48780 932.54486
2515.0000 -57.30511 -53.94873 3.35638 2.25823 -54.44244 899.36811
2520.0000 -58.49795 -55.85645 2.64150 2.25416 -54.47717 907.66308
2525.0000 -57.70038 -55.43834 2.26204 2.10228 -55.77577 788.14348
2530.0000 -57.78836 -54.74487 3.04349 2.19663 -54.96908 802.37061
2535.0000 -57.63254 -54.81109 2.82145 2.22442 -54.73148 820.49841
2540.0000 -58.13575 -55.45076 2.68499 2.18717 -55.04999 818.96684
2545.0000 -58.29157 -55.38481 2.90676 2.13107 -55.52960 786.68886
2550.0000 -58.29076 -55.82313 2.46763 2.18019 -55.10965 801.24075
2555.0000 -58.52703 -55.60003 2.92699 2.10643 -55.74026 778.72902
2560.0000 -58.66192 -55.43632 3.22559 2.20728 -54.87801 912.62302
2565.0000 -58.95198 -55.98326 2.96871 2.13249 -55.51747 763.65493
2570.0000 -57.32732 -55.05703 2.27029 2.21116 -54.84482 919.59610
2575.0000 -58.33198 -55.43100 2.90098 2.15417 -55.33213 811.11233
2580.0000 -57.72990 -55.62499 2.10491 2.12210 -55.60629 783.07364
2585.0000 -57.15981 -54.80033 2.35948 2.22343 -54.73990 818.62728
2590.0000 -57.50615 -55.29367 2.21248 2.15399 -55.33365 809.18608
2595.0000 -57.73955 -55.04332 2.69624 2.18580 -55.06165 869.93572
2600.0000 -57.66135 -55.36506 2.29629 2.16490 -55.24035 850.38981
2605.0000 -58.33251 -56.08281 2.24969 2.09509 -55.83722 748.20517
2610.0000 -58.66443 -56.19319 2.47124 2.02904 -56.40194 649.05309
2615.0000 -58.31367 -55.63312 2.68055 2.04780 -56.24152 691.41790
2620.0000 -57.92711 -55.56934 2.35778 2.11074 -55.70342 716.54962
2625.0000 -57.58722 -54.72991 2.85731 2.17371 -55.16503 808.41221
2630.0000 -57.33475 -55.38102 1.95374 2.16788 -55.21486 758.53918
2635.0000 -57.73615 -55.38013 2.35602 2.16410 -55.24717 762.19252
2640.0000 -57.86430 -55.09489 2.76941 2.15094 -55.35972 780.67003
2645.0000 -57.94059 -55.83751 2.10308 2.08750 -55.90213 732.88779
2650.0000 -58.47484 -55.73502 2.73982 2.12322 -55.59673 802.97535
2655.0000 -57.84405 -56.29501 1.54905 2.12759 -55.55939 732.14666
2660.0000 -57.99339 -55.17477 2.81863 2.05409 -56.18774 700.47192
2665.0000 -57.80561 -55.37286 2.43275 2.14773 -55.38719 767.00971
2670.0000 -57.86890 -55.57956 2.28934 2.13048 -55.53461 772.72383
2675.0000 -57.92445 -55.28314 2.64130 2.15050 -55.36350 767.64695
2680.0000 -58.19160 -56.16499 2.02661 2.08915 -55.88804 764.41375
2685.0000 -58.87027 -56.60173 2.26854 2.03529 -56.34853 692.22764
2690.0000 -58.39821 -55.58764 2.81057 2.02476 -56.43857 673.10583
2695.0000 -58.24980 -55.65138 2.59841 2.11116 -55.69980 788.54120
2700.0000 -57.40703 -54.43130 2.97574 2.15675 -55.31002 803.89933
2705.0000 -57.64633 -54.74266 2.90367 2.21184 -54.83903 919.41561
2710.0000 -58.06943 -55.88722 2.18221 2.13725 -55.47677 740.54069
2715.0000 -58.68250 -55.83009 2.85240 2.09771 -55.81485 758.53520
2720.0000 -57.92987 -55.14794 2.78193 2.17614 -55.14426 796.02020
2725.0000 -58.32705 -55.26342 3.06363 2.12580 -55.57463 745.25907
2730.0000 -56.88320 -53.77839 3.10482 2.27655 -54.28575 942.00165
2735.0000 -57.95962 -53.98838 3.97124 2.30475 -54.04470 896.97527
2740.0000 -56.56878 -54.34771 2.22107 2.28035 -54.25332 914.87261
2745.0000 -57.20455 -55.54116 1.66339 2.21926 -54.77562 841.26168
2750.0000 -56.89374 -54.79813 2.09560 2.17974 -55.11352 836.41147
FREEZING PROCESS: loop number 12 T-loop= 793.00000000000000
main_MD> interactions number 12 at Temperature= 793.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.21246 -1.18608 -1.99227
force_rgl> df(natom) 0.20522 -2.32833 0.08023
2755.0000 -58.45276 -55.73198 2.72078 2.13746 -55.47496 750.09332
2760.0000 -57.79569 -54.90696 2.88873 2.20117 -54.93029 870.54880
2765.0000 -58.08447 -55.18049 2.90398 2.16539 -55.23615 838.65097
2770.0000 -58.49921 -55.82408 2.67513 2.13511 -55.49509 813.62094
2775.0000 -57.98181 -55.00867 2.97314 2.12677 -55.56640 783.90891
2780.0000 -57.07256 -54.87128 2.20129 2.22551 -54.72217 867.85289
2785.0000 -58.56457 -55.31667 3.24790 2.13570 -55.49006 794.98111
2790.0000 -58.19970 -55.49104 2.70865 2.14103 -55.44446 836.00028
2795.0000 -58.49541 -56.18809 2.30732 2.08752 -55.90198 703.89907
2800.0000 -58.13045 -55.47420 2.65625 2.05892 -56.14649 707.45848
2805.0000 -57.66005 -55.06330 2.59675 2.16427 -55.24578 856.50810
2810.0000 -57.41916 -54.99807 2.42109 2.19675 -54.96802 841.48781
2815.0000 -58.18003 -54.93854 3.24149 2.21297 -54.82939 873.22109
2820.0000 -58.82529 -55.43588 3.38942 2.16471 -55.24198 821.45351
2825.0000 -58.33132 -55.50692 2.82440 2.12030 -55.62168 734.01721
2830.0000 -58.21420 -55.75673 2.45747 2.10833 -55.72404 776.59720
2835.0000 -58.31018 -56.03512 2.27506 2.08547 -55.91945 741.35637
2840.0000 -58.59076 -55.78737 2.80338 2.09395 -55.84696 731.86493
2845.0000 -58.64880 -56.20864 2.44016 2.09559 -55.83298 747.22163
2850.0000 -57.41510 -55.01929 2.39581 2.13992 -55.45391 786.46198
2855.0000 -57.86193 -54.04109 3.82084 2.19681 -54.96757 841.20928
2860.0000 -58.11148 -55.08831 3.02317 2.20501 -54.89745 845.04774
2865.0000 -57.39758 -54.95028 2.44729 2.16961 -55.20011 826.92194
2870.0000 -57.81923 -55.07256 2.74666 2.17829 -55.12588 840.29025
2875.0000 -58.05332 -55.66776 2.38556 2.12905 -55.54689 711.44981
2880.0000 -58.07836 -55.06754 3.01082 2.19313 -54.99901 853.91342
2885.0000 -57.40474 -54.53008 2.87466 2.27747 -54.27789 892.45679
2890.0000 -57.37873 -54.49739 2.88135 2.24931 -54.51867 885.27775
2895.0000 -57.12377 -55.00336 2.12041 2.25762 -54.44764 875.62807
2900.0000 -58.23618 -56.25148 1.98470 2.07091 -56.04398 702.14650
2905.0000 -57.88156 -56.35061 1.53095 2.03698 -56.33404 689.96598
2910.0000 -57.82809 -55.18345 2.64464 2.10047 -55.79121 784.84312
2915.0000 -57.90399 -55.69987 2.20411 2.09785 -55.81361 720.17473
2920.0000 -57.63307 -54.75777 2.87530 2.17818 -55.12680 821.20098
2925.0000 -57.71445 -55.35977 2.35469 2.21170 -54.84022 825.00903
2930.0000 -58.25375 -55.00082 3.25293 2.14560 -55.40538 821.28528
2935.0000 -58.30630 -55.86407 2.44223 2.15697 -55.30820 814.79166
2940.0000 -58.05985 -55.39459 2.66526 2.17438 -55.15928 830.55278
2945.0000 -57.32478 -54.40616 2.91862 2.18481 -55.07018 825.62261
2950.0000 -57.80344 -55.11613 2.68731 2.18484 -55.06987 834.98778
2955.0000 -57.75788 -54.68962 3.06827 2.17897 -55.12005 839.85292
2960.0000 -57.26168 -54.84815 2.41353 2.20981 -54.85643 862.35629
2965.0000 -57.53618 -54.56981 2.96637 2.25323 -54.48519 883.39904
2970.0000 -57.11173 -53.97263 3.13910 2.28258 -54.23422 941.60166
2975.0000 -58.11116 -55.32084 2.79032 2.22300 -54.74361 892.48094
2980.0000 -59.03943 -56.49423 2.54520 2.08777 -55.89979 756.07199
2985.0000 -57.85451 -55.86531 1.98920 2.08666 -55.90930 729.42087
2990.0000 -58.35570 -56.16911 2.18659 2.10619 -55.74229 773.72743
2995.0000 -58.80437 -56.97233 1.83203 2.02492 -56.43717 712.70127
3000.0000 -58.29525 -56.11070 2.18455 2.01863 -56.49094 692.26751
FREEZING PROCESS: loop number 13 T-loop= 768.00000000000000
main_MD> interactions number 13 at Temperature= 768.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17077 3.10993 -0.01824
force_rgl> df(natom) -1.22201 4.20829 2.11869
3005.0000 -58.93284 -56.40220 2.53064 2.05812 -56.15330 727.07021
3010.0000 -57.83646 -55.24875 2.58771 2.06064 -56.13181 745.87285
3015.0000 -58.30878 -55.88135 2.42742 2.07574 -56.00263 727.13385
3020.0000 -58.23071 -55.99143 2.23929 2.09230 -55.86107 733.79120
3025.0000 -58.32680 -55.58718 2.73962 2.11353 -55.67956 766.75325
3030.0000 -58.10887 -56.17203 1.93684 2.11501 -55.66688 710.62742
3035.0000 -58.07866 -55.30014 2.77852 2.13468 -55.49875 696.64858
3040.0000 -57.40318 -54.19071 3.21246 2.24035 -54.59529 884.86232
3045.0000 -57.02757 -54.84977 2.17781 2.25168 -54.49838 833.17088
3050.0000 -57.77170 -54.86882 2.90287 2.21504 -54.81167 843.99571
3055.0000 -57.82635 -55.06501 2.76134 2.17682 -55.13844 815.51945
3060.0000 -58.16089 -55.92513 2.23576 2.11448 -55.67143 793.13951
3065.0000 -58.21012 -55.72537 2.48475 2.12092 -55.61643 782.44290
3070.0000 -58.58682 -55.95808 2.62874 2.04837 -56.23666 748.04713
3075.0000 -58.38039 -55.79718 2.58321 2.04938 -56.22804 721.11840
3080.0000 -58.17038 -55.98663 2.18375 2.08395 -55.93250 741.44315
3085.0000 -58.79082 -56.11009 2.68073 2.05551 -56.17566 693.97235
3090.0000 -59.05098 -57.02843 2.02255 2.00245 -56.62928 626.39521
3095.0000 -58.89818 -56.16998 2.72820 2.02131 -56.46808 662.03843
3100.0000 -58.80338 -56.21791 2.58546 2.09762 -55.81564 741.14588
3105.0000 -58.58517 -56.01441 2.57076 2.05052 -56.21833 695.51987
3110.0000 -58.63894 -56.29678 2.34216 2.03107 -56.38458 677.21649
3115.0000 -58.36364 -56.38779 1.97585 2.03223 -56.37466 675.33499
3120.0000 -59.03291 -56.91820 2.11471 1.98969 -56.73839 615.26034
3125.0000 -58.89962 -56.69582 2.20380 1.97537 -56.86080 631.96479
3130.0000 -58.82763 -56.10648 2.72115 2.06088 -56.12975 713.31892
3135.0000 -58.19218 -55.70599 2.48619 2.07913 -55.97373 717.48366
3140.0000 -58.48156 -54.70353 3.77803 2.17131 -55.18554 796.69814
3145.0000 -58.31476 -55.60726 2.70750 2.12452 -55.58557 705.64324
3150.0000 -57.58454 -55.02110 2.56344 2.14375 -55.42122 783.29449
3155.0000 -58.95627 -56.29983 2.65644 2.11014 -55.70858 756.36763
3160.0000 -58.82713 -56.59797 2.22916 1.98864 -56.74737 609.96986
3165.0000 -57.86579 -55.16098 2.70481 2.08717 -55.90492 737.83451
3170.0000 -58.21940 -55.32647 2.89293 2.12453 -55.58551 813.28607
3175.0000 -58.48856 -55.99871 2.48985 2.09984 -55.79659 725.26317
3180.0000 -58.60444 -56.37703 2.22742 2.07142 -56.03961 740.77954
3185.0000 -58.70527 -56.46845 2.23682 2.02001 -56.47911 659.14768
3190.0000 -57.06614 -55.42684 1.63930 2.07026 -56.04948 694.09932
3195.0000 -58.49248 -56.13109 2.36139 2.10199 -55.77822 750.73691
3200.0000 -58.16725 -55.59417 2.57309 2.12984 -55.54010 784.54006
3205.0000 -58.80374 -57.10242 1.70132 2.03156 -56.38038 674.39680
3210.0000 -58.85940 -56.92067 1.93874 1.98087 -56.81380 628.33728
3215.0000 -58.27455 -55.72038 2.55417 2.07865 -55.97778 713.78661
3220.0000 -58.21282 -56.00954 2.20328 2.11663 -55.65308 784.14415
3225.0000 -57.61856 -55.40388 2.21468 2.05843 -56.15070 725.28043
3230.0000 -58.41118 -56.03634 2.37484 2.08654 -55.91034 737.54761
3235.0000 -56.62087 -53.91710 2.70377 2.14784 -55.38623 837.79264
3240.0000 -58.12863 -55.12573 3.00290 2.25296 -54.48743 903.09856
3245.0000 -57.44855 -54.92025 2.52830 2.17914 -55.11864 816.57634
3250.0000 -57.78849 -54.16520 3.62329 2.25195 -54.49606 892.43964
FREEZING PROCESS: loop number 14 T-loop= 743.00000000000000
main_MD> interactions number 14 at Temperature= 743.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01704 1.69415 -1.01393
force_rgl> df(natom) -3.35791 -1.57852 3.22704
3255.0000 -57.50228 -55.49534 2.00694 2.13693 -55.47953 757.37845
3260.0000 -57.99523 -55.61162 2.38361 2.16988 -55.19776 796.96276
3265.0000 -57.65397 -54.87465 2.77932 2.17429 -55.16008 836.98137
3270.0000 -58.77678 -55.80350 2.97328 2.19416 -54.99017 864.28646
3275.0000 -57.17949 -54.23538 2.94411 2.19033 -55.02297 785.47254
3280.0000 -57.68417 -55.23165 2.45253 2.19713 -54.96482 772.24409
3285.0000 -58.20710 -55.54970 2.65741 2.17675 -55.13902 829.69848
3290.0000 -58.35792 -55.90892 2.44900 2.08047 -55.96220 761.20810
3295.0000 -58.03247 -55.53212 2.50035 2.10835 -55.72388 793.15007
3300.0000 -58.94324 -55.62121 3.32203 2.12421 -55.58830 816.74407
3305.0000 -58.44825 -56.34496 2.10328 2.05940 -56.14235 697.60407
3310.0000 -58.96509 -56.30430 2.66079 2.01622 -56.51153 707.94353
3315.0000 -58.42743 -56.59660 1.83083 2.04305 -56.28216 707.20843
3320.0000 -58.72118 -56.57188 2.14930 2.00577 -56.60089 639.95990
3325.0000 -58.71706 -56.75482 1.96224 2.05185 -56.20689 685.43209
3330.0000 -57.99231 -55.91021 2.08210 2.03579 -56.34428 661.04550
3335.0000 -58.73977 -55.94698 2.79278 2.14742 -55.38982 793.76205
3340.0000 -58.55467 -56.25684 2.29783 2.10416 -55.75972 790.80380
3345.0000 -59.23304 -57.29229 1.94075 1.98359 -56.79055 663.21360
3350.0000 -59.08633 -56.74362 2.34270 1.94208 -57.14549 595.35999
3355.0000 -59.03401 -56.64096 2.39305 1.99963 -56.65337 662.05497
3360.0000 -57.80586 -55.64155 2.16431 2.12087 -55.61680 765.33405
3365.0000 -58.58048 -56.40404 2.17645 2.06263 -56.11479 697.17722
3370.0000 -58.06067 -55.97132 2.08935 2.05932 -56.14305 695.34779
3375.0000 -57.41974 -54.66915 2.75059 2.16027 -55.27994 818.88390
3380.0000 -57.77536 -54.94667 2.82868 2.20101 -54.93159 847.02265
3385.0000 -58.43975 -55.79465 2.64510 2.18177 -55.09617 839.75505
3390.0000 -57.89767 -55.66316 2.23451 2.13769 -55.47303 787.44332
3395.0000 -57.56381 -54.70738 2.85644 2.18098 -55.10285 783.17112
3400.0000 -57.62040 -55.34253 2.27786 2.19636 -54.97135 837.75715
3405.0000 -58.09040 -55.70184 2.38856 2.07955 -55.97008 680.24269
3410.0000 -58.23332 -56.00984 2.22348 2.07270 -56.02868 697.56742
3415.0000 -58.27896 -56.24549 2.03347 2.06287 -56.11270 727.03225
3420.0000 -58.37015 -55.64665 2.72350 2.06347 -56.10760 696.53716
3425.0000 -58.19499 -55.72594 2.46906 2.09173 -55.86594 747.85716
3430.0000 -58.24215 -55.63802 2.60413 2.12904 -55.54697 785.70172
3435.0000 -58.12712 -55.23364 2.89348 2.11830 -55.63882 754.42975
3440.0000 -56.76886 -53.92659 2.84227 2.19216 -55.00734 862.92028
3445.0000 -57.43323 -53.46236 3.97087 2.37492 -53.44468 1010.60517
3450.0000 -57.43924 -54.38192 3.05732 2.23419 -54.64791 847.00339
3455.0000 -57.66424 -54.84399 2.82025 2.20952 -54.85884 866.38415
3460.0000 -58.67478 -56.11887 2.55591 2.13686 -55.48011 798.89520
3465.0000 -59.06093 -56.87059 2.19034 2.01962 -56.48248 664.82372
3470.0000 -58.40493 -55.88181 2.52312 2.02234 -56.45922 652.21856
3475.0000 -57.96465 -55.67200 2.29265 2.07520 -56.00726 741.26835
3480.0000 -58.68128 -56.72725 1.95403 2.06285 -56.11290 717.57987
3485.0000 -57.69873 -55.32014 2.37859 2.05498 -56.18014 666.09392
3490.0000 -58.20683 -55.44043 2.76640 2.12596 -55.57333 822.07541
3495.0000 -58.38582 -55.30558 3.08024 2.16716 -55.22102 827.38601
3500.0000 -58.42636 -56.11628 2.31008 2.08424 -55.92998 748.70021
FREEZING PROCESS: loop number 15 T-loop= 718.00000000000000
main_MD> interactions number 15 at Temperature= 718.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21198 -2.69089 -2.12575
force_rgl> df(natom) -2.14943 -0.78755 0.79916
3505.0000 -58.08543 -55.28738 2.79805 2.12211 -55.60620 769.56285
3510.0000 -58.08825 -55.68923 2.39902 2.18242 -55.09056 816.63743
3515.0000 -57.86776 -55.92195 1.94581 2.09883 -55.80529 737.39799
3520.0000 -58.55681 -55.81337 2.74343 2.09575 -55.83156 771.08945
3525.0000 -58.96271 -56.72581 2.23690 2.04820 -56.23814 704.30976
3530.0000 -58.45800 -56.20474 2.25325 2.01863 -56.49099 679.58161
3535.0000 -57.56210 -55.96700 1.59509 2.07189 -56.03560 735.01441
3540.0000 -57.84753 -55.49991 2.34762 2.06484 -56.09587 666.69577
3545.0000 -57.64764 -55.10047 2.54717 2.18328 -55.08319 781.19897
3550.0000 -58.48782 -55.69984 2.78799 2.10324 -55.76758 759.54182
3555.0000 -57.86293 -55.09080 2.77214 2.13780 -55.47208 790.63436
3560.0000 -57.58831 -55.57961 2.00870 2.14514 -55.40927 803.00939
3565.0000 -58.74347 -55.83616 2.90730 2.05410 -56.18773 675.07940
3570.0000 -58.33345 -56.11665 2.21680 2.11345 -55.68026 760.22013
3575.0000 -58.12556 -55.44132 2.68423 2.13738 -55.47567 739.34142
3580.0000 -57.60811 -54.51379 3.09432 2.19351 -54.99578 825.60757
3585.0000 -58.12330 -55.02658 3.09672 2.18444 -55.07328 818.67088
3590.0000 -57.83874 -55.22604 2.61269 2.17336 -55.16803 809.33564
3595.0000 -58.97572 -56.82203 2.15370 2.08282 -55.94213 728.58761
3600.0000 -58.32599 -56.41226 1.91373 2.01925 -56.48566 652.95354
3605.0000 -58.16741 -56.17464 1.99277 2.11232 -55.68988 762.67988
3610.0000 -57.60856 -56.13927 1.46928 2.00077 -56.64364 617.17683
3615.0000 -57.75419 -55.26074 2.49346 2.13170 -55.52421 751.45791
3620.0000 -58.00878 -55.63700 2.37178 2.15669 -55.31053 756.01127
3625.0000 -58.55847 -56.65866 1.89981 2.08598 -55.91512 726.76265
3630.0000 -58.13298 -56.43103 1.70195 2.01799 -56.49647 668.51279
3635.0000 -57.68431 -55.32173 2.36258 2.08629 -55.91249 743.48180
3640.0000 -58.69519 -56.74467 1.95052 2.08296 -55.94092 768.84424
3645.0000 -58.88778 -56.12167 2.76611 2.05575 -56.17359 716.56473
3650.0000 -58.99739 -56.53876 2.45864 2.00470 -56.61002 654.56809
3655.0000 -58.45800 -55.89106 2.56694 2.00859 -56.57683 600.19183
3660.0000 -58.15994 -55.71667 2.44326 2.13270 -55.51565 749.89817
3665.0000 -58.09333 -56.10303 1.99030 2.10702 -55.73519 746.63519
3670.0000 -58.34790 -55.69152 2.65638 2.07791 -55.98413 736.32281
3675.0000 -58.30194 -56.48603 1.81592 2.07600 -56.00043 719.75078
3680.0000 -58.63668 -56.55301 2.08367 2.02441 -56.44158 684.21877
3685.0000 -58.25853 -56.49147 1.76706 1.96542 -56.94586 638.72826
3690.0000 -58.56958 -56.72920 1.84038 2.00789 -56.58280 662.26893
3695.0000 -58.70089 -56.10983 2.59107 2.04589 -56.25790 719.85709
3700.0000 -58.58438 -56.21159 2.37279 2.07260 -56.02956 787.54824
3705.0000 -58.54747 -56.17741 2.37006 1.98039 -56.81794 680.19659
3710.0000 -57.35016 -54.62527 2.72489 2.13278 -55.51495 788.92057
3715.0000 -57.63295 -54.40092 3.23203 2.27207 -54.32403 931.84527
3720.0000 -57.33823 -55.14126 2.19698 2.20562 -54.89223 855.36722
3725.0000 -58.11759 -55.04852 3.06906 2.16099 -55.27376 861.19317
3730.0000 -58.76797 -56.57297 2.19499 2.08568 -55.91765 745.95259
3735.0000 -57.67404 -55.30921 2.36482 2.09394 -55.84709 701.30193
3740.0000 -57.90130 -55.30547 2.59583 2.12635 -55.57000 748.29725
3745.0000 -58.61083 -55.86897 2.74186 2.04561 -56.26027 681.72879
3750.0000 -57.72773 -55.66627 2.06146 2.08574 -55.91718 705.13704
FREEZING PROCESS: loop number 16 T-loop= 693.00000000000000
main_MD> interactions number 16 at Temperature= 693.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.50573 -0.60745 -1.54902
force_rgl> df(natom) 7.40199 2.94057 -1.51585
3755.0000 -58.10245 -56.01196 2.09049 2.12446 -55.58612 772.62932
3760.0000 -59.03939 -56.23700 2.80239 2.07256 -56.02990 681.73152
3765.0000 -58.72600 -56.01202 2.71398 2.06158 -56.12375 710.67052
3770.0000 -57.33169 -55.45112 1.88057 2.12358 -55.59364 724.17586
3775.0000 -58.65123 -56.12281 2.52842 2.13105 -55.52982 763.31661
3780.0000 -58.98161 -56.44041 2.54120 2.09707 -55.82027 755.90939
3785.0000 -58.14004 -55.91841 2.22163 2.03237 -56.37346 656.46059
3790.0000 -59.09551 -57.31908 1.77643 1.99794 -56.66788 660.61290
3795.0000 -58.43189 -56.71840 1.71350 1.97883 -56.83122 613.20367
3800.0000 -59.45023 -56.91380 2.53644 1.98814 -56.75162 649.60432
3805.0000 -58.44176 -56.72809 1.71368 1.98541 -56.77501 649.31093
3810.0000 -58.22589 -56.08694 2.13894 1.98111 -56.81173 580.57558
3815.0000 -58.12374 -55.80218 2.32156 2.12004 -55.62389 782.40797
3820.0000 -57.71268 -55.45234 2.26034 2.11393 -55.67619 742.58157
3825.0000 -58.00293 -56.09335 1.90958 2.07375 -56.01972 701.68328
3830.0000 -58.97431 -56.73293 2.24137 2.03436 -56.35645 696.20074
3835.0000 -58.10652 -55.67329 2.43323 2.06560 -56.08940 701.90481
3840.0000 -58.19345 -56.09045 2.10300 2.08578 -55.91682 717.91587
3845.0000 -57.34314 -55.26655 2.07659 2.13607 -55.48688 806.31475
3850.0000 -57.57239 -54.84874 2.72365 2.15593 -55.31703 778.54041
3855.0000 -57.49900 -54.72388 2.77512 2.21225 -54.83553 847.76407
3860.0000 -57.83778 -55.40224 2.43555 2.19614 -54.97326 855.16936
3865.0000 -57.97311 -55.83377 2.13934 2.11439 -55.67218 766.51675
3870.0000 -58.58435 -56.48929 2.09506 2.06734 -56.07453 729.37037
3875.0000 -59.48575 -57.29160 2.19415 1.99429 -56.69910 659.18526
3880.0000 -58.16022 -56.29264 1.86758 1.93861 -57.17510 558.76880
3885.0000 -58.52597 -56.30989 2.21608 2.04392 -56.27475 728.08297
3890.0000 -58.10570 -55.61170 2.49400 2.06827 -56.06652 717.75288
3895.0000 -58.30440 -55.70778 2.59662 2.08731 -55.90376 744.53603
3900.0000 -57.89362 -56.04665 1.84696 2.13532 -55.49323 800.55699
3905.0000 -58.73276 -56.54526 2.18750 2.04463 -56.26862 709.27973
3910.0000 -59.22231 -56.66685 2.55545 1.96157 -56.97879 658.20175
3915.0000 -58.49657 -55.51909 2.97748 2.01945 -56.48390 709.65289
3920.0000 -59.03414 -56.44612 2.58802 2.04882 -56.23286 747.30368
3925.0000 -58.29262 -56.24783 2.04479 2.03695 -56.33430 668.38804
3930.0000 -59.08834 -57.01676 2.07158 1.98959 -56.73920 635.71822
3935.0000 -59.27621 -57.23470 2.04152 1.97194 -56.89018 640.42645
3940.0000 -58.87257 -56.03209 2.84048 2.05181 -56.20723 685.73122
3945.0000 -58.33509 -56.59173 1.74337 2.00208 -56.63245 634.23579
3950.0000 -57.68039 -55.76273 1.91767 2.08351 -55.93626 729.31826
3955.0000 -58.84538 -56.55085 2.29453 2.06699 -56.07747 669.26844
3960.0000 -58.51922 -56.55406 1.96516 2.00652 -56.59447 637.27847
3965.0000 -58.21120 -56.41618 1.79502 2.05829 -56.15188 683.90066
3970.0000 -58.56601 -56.99770 1.56832 2.00273 -56.62692 641.83437
3975.0000 -58.64455 -57.09554 1.54901 1.96518 -56.94795 626.23657
3980.0000 -58.58975 -56.24426 2.34549 1.97714 -56.84566 616.20377
3985.0000 -57.65427 -55.56026 2.09401 2.06200 -56.12013 730.47870
3990.0000 -58.65845 -56.59656 2.06190 2.09627 -55.82717 740.89149
3995.0000 -59.02450 -57.16871 1.85579 1.97245 -56.88577 631.84588
4000.0000 -58.84143 -57.10358 1.73785 1.96358 -56.96165 592.23967
FREEZING PROCESS: loop number 17 T-loop= 668.00000000000000
main_MD> interactions number 17 at Temperature= 668.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.34293 1.11624 -1.34750
force_rgl> df(natom) 0.60734 -0.01045 3.50932
4005.0000 -59.05713 -56.80893 2.24820 1.96806 -56.92333 614.82466
4010.0000 -59.03154 -56.80461 2.22692 1.96975 -56.90891 618.70323
4015.0000 -59.00500 -56.64371 2.36129 1.96950 -56.91103 598.35589
4020.0000 -58.04023 -55.93261 2.10762 2.01115 -56.55487 590.28921
4025.0000 -57.82113 -56.11850 1.70263 2.05971 -56.13969 658.63822
4030.0000 -58.32456 -56.44708 1.87748 2.07441 -56.01405 686.75654
4035.0000 -58.71793 -56.05406 2.66386 2.01090 -56.55706 650.90669
4040.0000 -57.79708 -55.82058 1.97651 2.06659 -56.08092 760.28740
4045.0000 -59.01170 -57.34165 1.67005 1.99017 -56.73429 601.07579
4050.0000 -59.85640 -58.02211 1.83429 1.89956 -57.50895 583.91024
4055.0000 -58.92606 -56.93155 1.99451 1.87932 -57.68200 559.30687
4060.0000 -57.93148 -56.11641 1.81507 2.00743 -56.58673 683.59417
4065.0000 -58.85519 -56.06341 2.79178 2.02689 -56.42033 678.30419
4070.0000 -58.59400 -55.80186 2.79214 2.11079 -55.70299 795.57381
4075.0000 -58.12099 -56.41508 1.70591 2.03954 -56.31218 671.18031
4080.0000 -58.27279 -55.64589 2.62690 2.03623 -56.34052 655.95911
4085.0000 -58.37641 -56.24958 2.12683 2.10053 -55.79073 718.08511
4090.0000 -57.65475 -55.43120 2.22355 2.07330 -56.02354 717.25655
4095.0000 -59.25547 -56.68569 2.56978 2.06562 -56.08922 730.50998
4100.0000 -59.79237 -57.25756 2.53480 1.98297 -56.79586 630.74535
4105.0000 -58.41141 -56.47930 1.93211 1.94400 -57.12901 542.36709
4110.0000 -58.72156 -56.99254 1.72903 1.97348 -56.87700 562.94050
4115.0000 -58.24546 -55.58812 2.65733 2.05624 -56.16938 722.63582
4120.0000 -58.54652 -56.07240 2.47412 2.08876 -55.89137 765.76629
4125.0000 -58.38622 -56.63309 1.75313 2.03897 -56.31701 731.56993
4130.0000 -58.45923 -56.23156 2.22767 1.98743 -56.75774 618.72619
4135.0000 -58.58023 -56.41707 2.16316 2.08796 -55.89820 801.49442
4140.0000 -58.94666 -57.17821 1.76844 1.98085 -56.81399 665.49589
4145.0000 -59.17569 -56.85402 2.32167 1.96593 -56.94152 622.68611
4150.0000 -58.64152 -57.01115 1.63037 1.99933 -56.65594 686.35353
4155.0000 -58.30004 -55.75178 2.54826 2.04399 -56.27411 675.11543
4160.0000 -58.17754 -55.15113 3.02641 2.13098 -55.53038 765.36160
4165.0000 -58.45297 -56.59283 1.86014 2.07662 -55.99513 727.37014
4170.0000 -58.73963 -56.80175 1.93788 1.98633 -56.76710 614.45886
4175.0000 -58.75019 -55.54850 3.20169 2.01961 -56.48257 648.68075
4180.0000 -58.46583 -56.30960 2.15623 2.09371 -55.84904 710.89555
4185.0000 -57.75303 -55.98039 1.77264 2.05521 -56.17821 674.42019
4190.0000 -58.54273 -56.48030 2.06243 2.03102 -56.38499 619.88110
4195.0000 -58.78115 -57.02273 1.75843 1.98836 -56.74973 635.43058
4200.0000 -58.98665 -56.18724 2.79941 1.99129 -56.72472 662.20793
4205.0000 -58.35155 -56.29557 2.05598 2.02895 -56.40268 667.17754
4210.0000 -58.16213 -56.12488 2.03725 2.07217 -56.03315 712.63168
4215.0000 -58.90368 -56.37521 2.52846 2.04270 -56.28516 753.20375
4220.0000 -58.82782 -56.70553 2.12229 1.97337 -56.87797 639.21266
4225.0000 -58.28598 -56.70003 1.58595 2.01165 -56.55067 663.78878
4230.0000 -58.53328 -55.72665 2.80663 2.07084 -56.04455 704.24584
4235.0000 -58.85022 -56.62684 2.22338 2.04551 -56.26113 703.92291
4240.0000 -59.57065 -57.30349 2.26716 1.95397 -57.04382 615.13798
4245.0000 -58.18786 -56.48375 1.70410 1.95699 -57.01801 619.89742
4250.0000 -59.22972 -56.83285 2.39687 2.02762 -56.41408 718.63273
FREEZING PROCESS: loop number 18 T-loop= 643.00000000000000
main_MD> interactions number 18 at Temperature= 643.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33769 -2.32527 0.87440
force_rgl> df(natom) -0.06125 1.29457 0.82731
4255.0000 -59.21912 -57.51349 1.70563 1.95280 -57.05379 632.07638
4260.0000 -59.24233 -57.29349 1.94885 1.90845 -57.43301 555.76607
4265.0000 -59.72976 -58.16885 1.56091 1.87908 -57.68408 503.47379
4270.0000 -58.74180 -57.12025 1.62154 1.86115 -57.83742 472.55195
4275.0000 -58.62253 -56.63238 1.99015 2.01610 -56.51262 654.23897
4280.0000 -58.24716 -56.38899 1.85817 1.97711 -56.84592 596.39243
4285.0000 -58.75903 -55.67748 3.08155 2.08543 -55.91982 740.08643
4290.0000 -58.50027 -55.97604 2.52423 2.09257 -55.85880 718.17589
4295.0000 -57.33049 -55.53200 1.79850 2.10594 -55.74450 738.42103
4300.0000 -58.51096 -56.59738 1.91358 2.03351 -56.36373 655.35471
4305.0000 -58.24471 -56.37450 1.87022 2.00080 -56.64337 612.64802
4310.0000 -58.18170 -56.20519 1.97652 2.03974 -56.31045 666.30236
4315.0000 -58.24656 -56.42149 1.82507 2.07335 -56.02311 737.67820
4320.0000 -58.71339 -56.16605 2.54734 2.02221 -56.46036 690.65922
4325.0000 -58.28945 -55.73950 2.54996 2.10259 -55.77309 775.89803
4330.0000 -58.58192 -55.88260 2.69932 2.10066 -55.78965 750.52577
4335.0000 -58.57458 -56.29809 2.27649 2.06933 -56.05746 715.40219
4340.0000 -57.72419 -55.98858 1.73561 2.05281 -56.19871 705.88090
4345.0000 -57.83919 -56.13584 1.70334 2.07892 -55.97548 732.53370
4350.0000 -58.17101 -56.63104 1.53998 2.04422 -56.27218 674.87609
4355.0000 -58.89461 -56.40744 2.48717 2.02925 -56.40017 652.08708
4360.0000 -58.40151 -56.83316 1.56835 2.00979 -56.56658 643.64062
4365.0000 -58.84276 -56.99028 1.85248 1.97362 -56.87575 628.34849
4370.0000 -59.54961 -57.80376 1.74585 1.89928 -57.51136 546.92010
4375.0000 -59.53015 -57.16523 2.36492 1.91017 -57.41826 576.64488
4380.0000 -59.16643 -57.35122 1.81520 1.93932 -57.16904 587.29355
4385.0000 -58.44883 -56.50524 1.94360 1.98485 -56.77976 617.32765
4390.0000 -59.09041 -56.70133 2.38908 2.00213 -56.63201 643.11728
4395.0000 -58.41281 -56.04605 2.36676 2.02743 -56.41575 709.36852
4400.0000 -58.23974 -55.86707 2.37267 2.08570 -55.91755 748.96683
4405.0000 -58.97328 -56.53849 2.43479 2.03235 -56.37365 659.15542
4410.0000 -57.87276 -55.94333 1.92943 2.02505 -56.43604 656.62321
4415.0000 -59.00068 -56.33522 2.66546 2.04116 -56.29831 683.11226
4420.0000 -58.27496 -55.97631 2.29865 2.05587 -56.17255 720.56825
4425.0000 -59.32915 -57.46387 1.86528 1.95713 -57.01675 629.65060
4430.0000 -58.87249 -56.79750 2.07498 1.96622 -56.93904 642.94799
4435.0000 -59.44633 -56.94532 2.50101 2.00122 -56.63985 653.64860
4440.0000 -57.98184 -56.01285 1.96899 2.05764 -56.15739 697.22293
4445.0000 -59.15672 -57.67865 1.47807 2.00634 -56.59601 627.72471
4450.0000 -58.95832 -56.32783 2.63049 1.99201 -56.71853 635.72931
4455.0000 -58.67518 -56.09501 2.58017 2.04822 -56.23799 745.24411
4460.0000 -59.06807 -56.67150 2.39658 2.03871 -56.31923 707.80916
4465.0000 -59.18807 -57.04658 2.14149 1.93152 -57.23574 609.41300
4470.0000 -58.57572 -56.11901 2.45671 1.99675 -56.67806 661.10745
4475.0000 -58.08890 -55.97698 2.11193 2.06771 -56.07129 707.59175
4480.0000 -58.32386 -55.97097 2.35288 2.09514 -55.83684 734.06902
4485.0000 -58.07052 -55.72787 2.34265 2.07693 -55.99252 734.58623
4490.0000 -58.03175 -55.90917 2.12258 2.08254 -55.94452 693.96132
4495.0000 -58.31838 -56.28327 2.03511 2.06678 -56.07931 706.74321
4500.0000 -59.09953 -57.44905 1.65048 1.93856 -57.17556 563.78806
FREEZING PROCESS: loop number 19 T-loop= 618.00000000000000
main_MD> interactions number 19 at Temperature= 618.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44278 -2.96514 -0.29862
force_rgl> df(natom) 3.66745 -4.84242 4.49899
4505.0000 -58.70180 -56.56691 2.13489 1.96893 -56.91584 595.00556
4510.0000 -58.13822 -56.52435 1.61386 1.98815 -56.75158 644.48298
4515.0000 -59.05079 -57.20564 1.84515 1.92549 -57.28733 552.04234
4520.0000 -59.18167 -57.36879 1.81288 1.91192 -57.40328 543.96762
4525.0000 -59.27752 -57.68308 1.59444 1.89835 -57.51936 557.86159
4530.0000 -58.37925 -56.73547 1.64377 1.97544 -56.86021 652.08779
4535.0000 -58.83188 -56.90802 1.92385 1.97741 -56.84337 634.81299
4540.0000 -59.33632 -56.83784 2.49848 1.96292 -56.96730 640.09414
4545.0000 -59.64886 -57.44199 2.20687 1.94075 -57.15679 624.04084
4550.0000 -58.97191 -57.16106 1.81085 1.92923 -57.25535 599.73369
4555.0000 -58.46757 -55.72982 2.73775 2.03496 -56.35136 722.04112
4560.0000 -58.74618 -56.51733 2.22885 2.06269 -56.11426 770.10316
4565.0000 -59.15070 -57.09459 2.05610 2.01751 -56.50056 676.16884
4570.0000 -59.21188 -57.97256 1.23932 1.87004 -57.76142 540.60762
4575.0000 -59.68372 -57.49096 2.19276 1.86969 -57.76440 523.07881
4580.0000 -58.84730 -56.92613 1.92116 1.90636 -57.45086 572.49920
4585.0000 -59.69064 -57.81866 1.87198 1.95135 -57.06620 646.42163
4590.0000 -59.63516 -57.36449 2.27067 1.86170 -57.83266 527.98750
4595.0000 -59.37989 -57.36544 2.01445 1.96514 -56.94825 655.66512
4600.0000 -58.90255 -56.88165 2.02090 1.93820 -57.17863 640.52009
4605.0000 -57.69565 -56.00270 1.69295 2.00969 -56.56741 703.05249
4610.0000 -58.81090 -56.62264 2.18826 2.02146 -56.46679 684.23742
4615.0000 -58.67617 -56.52046 2.15571 2.01405 -56.53014 640.26691
4620.0000 -57.98970 -55.64544 2.34426 2.04893 -56.23188 705.40747
4625.0000 -58.73275 -56.84528 1.88747 2.01994 -56.47976 664.86572
4630.0000 -58.14857 -56.05714 2.09143 2.01439 -56.52717 653.01246
4635.0000 -58.65898 -56.83074 1.82824 1.99671 -56.67840 650.99088
4640.0000 -58.29388 -56.56101 1.73287 1.96747 -56.92841 604.09979
4645.0000 -58.67924 -56.93959 1.73965 2.00425 -56.61392 637.79520
4650.0000 -58.67083 -56.43718 2.23365 2.01052 -56.56032 647.65010
4655.0000 -59.28092 -57.52108 1.75984 1.94961 -57.08110 572.37072
4660.0000 -58.67653 -56.81391 1.86263 1.94560 -57.11533 610.55985
4665.0000 -58.91545 -56.96820 1.94726 1.95244 -57.05689 623.41302
4670.0000 -58.88484 -57.06990 1.81494 1.96193 -56.97574 626.74566
4675.0000 -58.94431 -57.24712 1.69719 1.92074 -57.32795 618.32963
4680.0000 -59.09343 -57.33645 1.75698 1.90938 -57.42504 572.19710
4685.0000 -58.79971 -56.31497 2.48473 1.98052 -56.81682 624.32789
4690.0000 -58.36598 -56.71562 1.65036 2.01580 -56.51513 630.48012
4695.0000 -58.49443 -56.43956 2.05486 2.01838 -56.49312 638.62313
4700.0000 -58.83422 -56.69610 2.13813 1.99020 -56.73399 650.09375
4705.0000 -58.53899 -56.67255 1.86644 1.99011 -56.73481 673.06075
4710.0000 -58.49530 -56.04397 2.45134 1.98040 -56.81778 649.55049
4715.0000 -58.99831 -56.74964 2.24866 2.03321 -56.36631 691.50221
4720.0000 -58.91327 -57.20501 1.70826 2.00803 -56.58158 634.59648
4725.0000 -59.39285 -57.32869 2.06416 1.93234 -57.22875 561.91193
4730.0000 -59.30476 -57.11615 2.18861 1.92834 -57.26295 578.28247
4735.0000 -58.82698 -56.89397 1.93301 1.96413 -56.95695 615.88794
4740.0000 -58.52956 -56.00457 2.52499 2.07570 -56.00298 735.47795
4745.0000 -59.28915 -57.84816 1.44099 1.94388 -57.13003 571.69406
4750.0000 -58.96428 -56.66797 2.29631 1.93610 -57.19657 524.10196
FREEZING PROCESS: loop number 20 T-loop= 593.00000000000000
main_MD> interactions number 20 at Temperature= 593.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25754 0.08273 -2.33535
force_rgl> df(natom) -2.31070 1.75053 1.07374
4755.0000 -59.46875 -57.30825 2.16051 1.96805 -56.92341 629.72037
4760.0000 -58.82995 -57.36884 1.46112 1.94869 -57.08891 569.56715
4765.0000 -59.50769 -57.51961 1.98808 1.91993 -57.33480 576.46539
4770.0000 -59.47195 -57.60942 1.86253 1.91204 -57.40231 545.67970
4775.0000 -58.42048 -56.53518 1.88530 1.97911 -56.82889 596.46898
4780.0000 -58.64467 -56.43462 2.21005 2.01316 -56.53769 634.62140
4785.0000 -59.41539 -57.84912 1.56627 1.95150 -57.06489 601.09554
4790.0000 -59.35959 -57.54080 1.81879 1.87323 -57.73409 499.41728
4795.0000 -59.14163 -57.53260 1.60903 1.91887 -57.34387 548.45417
4800.0000 -58.85939 -56.90225 1.95714 1.92619 -57.28128 580.66349
4805.0000 -59.31417 -57.33933 1.97484 1.91930 -57.34023 612.62226
4810.0000 -59.13550 -57.79525 1.34025 1.87305 -57.73563 530.92704
4815.0000 -59.53330 -57.79589 1.73741 1.88291 -57.65132 560.96247
4820.0000 -59.43999 -57.75594 1.68405 1.86578 -57.79784 539.26188
4825.0000 -59.56957 -57.87717 1.69240 1.86798 -57.77901 524.11575
4830.0000 -59.45807 -57.82162 1.63645 1.90873 -57.43062 581.27012
4835.0000 -59.42196 -57.43528 1.98668 1.88884 -57.60067 557.15543
4840.0000 -59.28214 -57.58970 1.69243 1.89958 -57.50883 562.25477
4845.0000 -59.34179 -57.60472 1.73707 1.88708 -57.61574 550.69314
4850.0000 -59.33331 -57.04834 2.28497 1.90152 -57.49224 558.29308
4855.0000 -59.33730 -57.66025 1.67705 1.88662 -57.61961 568.18363
4860.0000 -59.72929 -57.65427 2.07502 1.86454 -57.80845 533.45061
4865.0000 -59.63618 -58.04407 1.59212 1.83631 -58.04978 463.69757
4870.0000 -59.51195 -57.72148 1.79047 1.87979 -57.67804 555.39854
4875.0000 -59.01936 -57.01837 2.00099 1.88470 -57.63604 539.08192
4880.0000 -59.34255 -57.79682 1.54572 1.90560 -57.45734 549.27610
4885.0000 -59.55734 -58.23896 1.31839 1.87869 -57.68746 522.70746
4890.0000 -58.57008 -57.12408 1.44600 1.88708 -57.61568 549.72262
4895.0000 -58.87028 -56.78096 2.08932 1.94366 -57.13193 585.92929
4900.0000 -59.06452 -57.30304 1.76148 1.96990 -56.90756 638.23281
4905.0000 -58.63638 -57.12336 1.51302 1.92535 -57.28848 558.84179
4910.0000 -58.22166 -56.44066 1.78101 1.96891 -56.91606 581.48841
4915.0000 -57.38284 -55.82677 1.55608 2.06449 -56.09889 703.68776
4920.0000 -59.54308 -57.30925 2.23383 1.96590 -56.94179 598.36421
4925.0000 -58.27598 -56.22622 2.04975 1.97535 -56.86099 625.95382
4930.0000 -59.39518 -56.71842 2.67676 2.00686 -56.59163 666.23005
4935.0000 -58.72595 -56.16866 2.55729 2.03707 -56.33332 674.49680
4940.0000 -59.21941 -57.02869 2.19072 2.02043 -56.47558 661.62752
4945.0000 -58.52548 -56.77093 1.75456 1.98255 -56.79948 613.09227
4950.0000 -58.36682 -56.80752 1.55930 1.97898 -56.82995 650.82104
4955.0000 -59.23771 -57.67081 1.56690 1.91789 -57.35224 561.45046
4960.0000 -59.05889 -57.50079 1.55810 1.88780 -57.60954 573.44381
4965.0000 -59.44145 -57.42274 2.01872 1.94839 -57.09150 626.53373
4970.0000 -58.38402 -56.57323 1.81080 1.95971 -56.99475 648.75534
4975.0000 -58.67278 -56.83709 1.83568 1.96542 -56.94588 603.45436
4980.0000 -59.02384 -57.56350 1.46034 1.96409 -56.95725 583.93200
4985.0000 -59.24113 -57.33430 1.90683 1.90592 -57.45461 550.46699
4990.0000 -58.96202 -57.05994 1.90209 1.96446 -56.95411 589.32187
4995.0000 -59.63367 -57.25697 2.37670 1.93318 -57.22152 587.50380
5000.0000 -58.70637 -56.91161 1.79475 1.97551 -56.85959 596.87994
FREEZING PROCESS: loop number 21 T-loop= 568.00000000000000
main_MD> interactions number 21 at Temperature= 568.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.20357 3.12554 -1.12514
force_rgl> df(natom) 0.03261 -3.42644 -1.29453
5005.0000 -59.06242 -57.19600 1.86643 1.94987 -57.07888 594.83134
5010.0000 -59.72026 -57.78236 1.93790 1.88569 -57.62754 558.13024
5015.0000 -59.23477 -57.71524 1.51953 1.87279 -57.73787 534.64317
5020.0000 -59.21846 -57.24552 1.97294 1.90560 -57.45736 586.68311
5025.0000 -59.19328 -57.12170 2.07157 1.93793 -57.18096 608.69380
5030.0000 -59.88764 -58.18754 1.70011 1.84193 -58.00170 500.01903
5035.0000 -59.64381 -58.32705 1.31677 1.81686 -58.21603 485.75625
5040.0000 -60.00015 -58.31947 1.68068 1.81239 -58.25431 462.88757
5045.0000 -58.54896 -57.07316 1.47579 1.89562 -57.54267 560.08211
5050.0000 -58.92779 -56.85994 2.06784 1.95691 -57.01870 627.87896
5055.0000 -58.80543 -56.73761 2.06782 1.96919 -56.91369 601.15545
5060.0000 -59.23497 -57.51371 1.72126 1.94824 -57.09277 589.41817
5065.0000 -58.96268 -57.51636 1.44632 1.95745 -57.01403 599.95361
5070.0000 -59.38807 -57.75015 1.63791 1.86371 -57.81547 494.72594
5075.0000 -58.72698 -57.45546 1.27151 1.89404 -57.55620 542.40671
5080.0000 -59.42315 -57.09966 2.32349 1.95857 -57.00442 626.95817
5085.0000 -59.59123 -57.10477 2.48647 1.96859 -56.91878 661.01988
5090.0000 -59.01146 -56.99827 2.01319 1.94070 -57.15724 589.13266
5095.0000 -58.40050 -57.03388 1.36662 1.95765 -57.01229 583.60856
5100.0000 -59.34861 -57.16954 2.17907 1.92371 -57.30249 565.40885
5105.0000 -59.44753 -57.46717 1.98036 1.89865 -57.51677 554.93513
5110.0000 -58.70217 -57.29010 1.41207 1.93625 -57.19529 571.88889
5115.0000 -59.23784 -57.73056 1.50728 1.87763 -57.69647 509.00455
5120.0000 -59.13890 -57.54755 1.59134 1.91634 -57.36550 544.22165
5125.0000 -58.64981 -56.98492 1.66489 1.91697 -57.36017 555.95483
5130.0000 -58.58576 -56.63705 1.94871 1.96794 -56.92438 634.23173
5135.0000 -58.54025 -56.46902 2.07123 2.03216 -56.37530 649.21276
5140.0000 -58.24720 -56.93169 1.31552 1.94933 -57.08346 557.88192
5145.0000 -59.55269 -56.98686 2.56583 1.95531 -57.03230 603.75039
5150.0000 -59.07410 -56.70755 2.36655 1.97701 -56.84678 645.00134
5155.0000 -59.54169 -58.03794 1.50375 1.90559 -57.45744 509.81762
5160.0000 -59.08840 -57.04822 2.04017 1.85985 -57.84854 478.41518
5165.0000 -59.20204 -57.46351 1.73852 1.92436 -57.29692 580.78394
5170.0000 -59.08846 -57.44968 1.63878 1.86703 -57.78715 524.62315
5175.0000 -58.98390 -57.25104 1.73286 1.88244 -57.65538 554.56874
5180.0000 -59.20661 -57.17673 2.02988 1.92875 -57.25941 580.51068
5185.0000 -58.38703 -56.75025 1.63678 1.98224 -56.80205 609.05517
5190.0000 -59.33972 -57.60881 1.73092 1.91365 -57.38851 554.00639
5195.0000 -59.27921 -57.46431 1.81490 1.90452 -57.46654 579.35717
5200.0000 -59.66463 -57.64477 2.01986 1.90311 -57.47868 585.20139
5205.0000 -59.32143 -57.83806 1.48337 1.85837 -57.86114 547.68712
5210.0000 -59.12807 -56.66786 2.46021 1.91560 -57.37187 540.41166
5215.0000 -59.35452 -57.64634 1.70818 1.96289 -56.96755 643.63882
5220.0000 -59.07677 -57.06113 2.01564 1.91049 -57.41554 569.08529
5225.0000 -59.11005 -57.17409 1.93596 1.93447 -57.21049 593.92315
5230.0000 -59.30436 -57.64286 1.66150 1.94119 -57.15304 609.05720
5235.0000 -59.37117 -57.86469 1.50648 1.87445 -57.72365 507.61711
5240.0000 -59.08552 -57.84667 1.23885 1.84950 -57.93699 501.14649
5245.0000 -59.47875 -58.03142 1.44733 1.85025 -57.93055 506.60627
5250.0000 -59.64143 -57.46911 2.17232 1.85228 -57.91319 490.86566
FREEZING PROCESS: loop number 22 T-loop= 543.00000000000000
main_MD> interactions number 22 at Temperature= 543.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51315 1.36830 -1.82721
force_rgl> df(natom) 1.03881 -1.55544 -0.01868
5255.0000 -59.63872 -57.71697 1.92175 1.91338 -57.39080 586.86119
5260.0000 -59.51259 -57.64417 1.86843 1.89428 -57.55417 548.79683
5265.0000 -59.45915 -57.63239 1.82676 1.91334 -57.39115 575.79652
5270.0000 -59.19659 -57.37259 1.82401 1.92098 -57.32582 571.74270
5275.0000 -59.07149 -57.04948 2.02201 1.92758 -57.26944 597.13530
5280.0000 -60.02045 -58.45743 1.56302 1.85088 -57.92518 515.64136
5285.0000 -59.67550 -58.42611 1.24939 1.81014 -58.27348 471.43201
5290.0000 -59.91271 -58.69403 1.21867 1.79477 -58.40491 438.31282
5295.0000 -59.94804 -58.07424 1.87381 1.78017 -58.52975 430.16733
5300.0000 -59.82943 -58.11541 1.71402 1.84240 -57.99768 513.94344
5305.0000 -59.94366 -58.12305 1.82060 1.83538 -58.05776 513.96113
5310.0000 -59.59431 -58.10689 1.48742 1.81150 -58.26186 464.99020
5315.0000 -59.29488 -57.91688 1.37800 1.78906 -58.45377 414.60052
5320.0000 -59.62329 -57.60878 2.01451 1.87772 -57.69571 551.29436
5325.0000 -59.54531 -57.63728 1.90803 1.91318 -57.39253 572.79878
5330.0000 -59.83302 -58.50796 1.32506 1.82023 -58.18723 472.73375
5335.0000 -59.15111 -58.01928 1.13183 1.78427 -58.49467 422.03233
5340.0000 -59.28318 -57.80421 1.47897 1.86204 -57.82981 527.89867
5345.0000 -59.89612 -57.78070 2.11542 1.88033 -57.67339 542.07186
5350.0000 -59.31417 -57.75378 1.56040 1.84959 -57.93627 500.32983
5355.0000 -59.07450 -57.52171 1.55279 1.89504 -57.54762 562.38519
5360.0000 -58.28951 -56.43636 1.85315 1.92541 -57.28799 568.72503
5365.0000 -59.43360 -57.74293 1.69067 1.97718 -56.84537 598.61829
5370.0000 -59.67276 -58.16491 1.50785 1.82728 -58.12701 461.34791
5375.0000 -59.76896 -58.68152 1.08744 1.80939 -58.27994 450.73989
5380.0000 -59.82411 -57.84879 1.97532 1.81409 -58.23973 482.90439
5385.0000 -59.21402 -57.82071 1.39332 1.82935 -58.10928 502.49630
5390.0000 -59.73022 -57.53271 2.19751 1.89835 -57.51936 563.39897
5395.0000 -59.57405 -57.99655 1.57750 1.88666 -57.61928 569.76882
5400.0000 -59.39935 -57.73067 1.66868 1.87756 -57.69706 523.02446
5405.0000 -58.98049 -57.72138 1.25911 1.80610 -58.30806 401.12923
5410.0000 -58.89176 -57.48194 1.40982 1.88981 -57.59233 512.20583
5415.0000 -59.83927 -58.13653 1.70274 1.88237 -57.65596 516.30106
5420.0000 -59.42035 -58.00505 1.41530 1.82762 -58.12408 448.00509
5425.0000 -59.47008 -57.72459 1.74549 1.89424 -57.55444 532.85399
5430.0000 -59.07953 -57.40097 1.67856 1.92409 -57.29922 580.11665
5435.0000 -58.66032 -57.06273 1.59759 1.89606 -57.53894 519.19124
5440.0000 -59.27040 -56.96151 2.30889 1.97017 -56.90526 559.89840
5445.0000 -59.78192 -57.87538 1.90654 1.94199 -57.14622 611.22079
5450.0000 -58.75343 -57.48662 1.26681 1.87862 -57.68802 535.90735
5455.0000 -59.49687 -57.77203 1.72484 1.88923 -57.59730 555.00712
5460.0000 -59.08025 -57.44266 1.63759 1.86758 -57.78244 544.50775
5465.0000 -59.38245 -57.60509 1.77736 1.90703 -57.44514 563.64066
5470.0000 -59.33206 -56.87834 2.45372 1.92196 -57.31744 568.28719
5475.0000 -59.92573 -58.34901 1.57671 1.88994 -57.59128 559.27927
5480.0000 -59.82337 -57.28532 2.53805 1.85299 -57.90717 519.42773
5485.0000 -59.10542 -58.08896 1.01646 1.85371 -57.90104 506.85216
5490.0000 -59.39952 -58.13195 1.26758 1.85322 -57.90519 516.57221
5495.0000 -59.64348 -57.77544 1.86804 1.88278 -57.65249 534.80037
5500.0000 -59.56154 -57.97275 1.58879 1.89375 -57.55869 547.37955
FREEZING PROCESS: loop number 23 T-loop= 518.00000000000000
main_MD> interactions number 23 at Temperature= 518.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48032 -0.77686 -2.54947
force_rgl> df(natom) 2.71557 -2.26400 3.16381
5505.0000 -59.55903 -57.81000 1.74903 1.87559 -57.71396 539.79254
5510.0000 -59.32405 -57.94864 1.37541 1.85212 -57.91464 510.11445
5515.0000 -59.84643 -58.10677 1.73967 1.82873 -58.11454 487.81198
5520.0000 -59.59571 -58.09276 1.50294 1.82545 -58.14261 490.65315
5525.0000 -59.33933 -57.50214 1.83719 1.89896 -57.51412 552.62220
5530.0000 -59.23921 -56.79072 2.44848 1.94768 -57.09759 591.50924
5535.0000 -59.56800 -57.31707 2.25093 1.96153 -56.97912 656.95589
5540.0000 -58.71352 -57.14167 1.57185 1.95646 -57.02249 585.93547
5545.0000 -59.69761 -58.09374 1.60388 1.90528 -57.46009 540.46413
5550.0000 -59.78273 -58.46893 1.31380 1.81727 -58.21254 467.39600
5555.0000 -59.93788 -57.88218 2.05570 1.80571 -58.31136 458.62489
5560.0000 -59.10015 -57.60294 1.49721 1.86979 -57.76354 521.07130
5565.0000 -59.44246 -57.41456 2.02791 1.90781 -57.43843 554.13343
5570.0000 -59.53527 -57.66483 1.87044 1.85538 -57.88675 506.27489
5575.0000 -59.62530 -58.24749 1.37782 1.83487 -58.06212 452.83434
5580.0000 -59.43508 -58.20967 1.22541 1.81844 -58.20257 459.11901
5585.0000 -59.10048 -57.60802 1.49246 1.87224 -57.74258 532.70110
5590.0000 -59.63892 -57.63244 2.00649 1.89084 -57.58355 556.06307
5595.0000 -59.30309 -57.93049 1.37261 1.86246 -57.82621 504.83798
5600.0000 -59.49132 -58.02575 1.46557 1.84806 -57.94929 504.54376
5605.0000 -59.64564 -58.11396 1.53168 1.83128 -58.09280 475.51057
5610.0000 -59.11202 -57.32714 1.78488 1.84922 -57.93942 479.94797
5615.0000 -58.97589 -57.40198 1.57391 1.92947 -57.25327 572.35292
5620.0000 -59.45291 -57.78412 1.66879 1.87452 -57.72304 477.09131
5625.0000 -59.37436 -57.92370 1.45066 1.86081 -57.84026 469.43823
5630.0000 -59.49158 -58.15679 1.33479 1.83534 -58.05805 456.36817
5635.0000 -59.90701 -57.89110 2.01592 1.83273 -58.08039 504.87264
5640.0000 -59.04504 -57.15718 1.88786 1.83994 -58.01877 494.31073
5645.0000 -59.39914 -57.32774 2.07140 1.92676 -57.27648 559.96582
5650.0000 -59.50634 -57.94040 1.56595 1.88932 -57.59654 557.83453
5655.0000 -58.87916 -56.45846 2.42070 1.96146 -56.97978 626.76510
5660.0000 -59.39493 -57.44735 1.94758 1.96188 -56.97613 594.74381
5665.0000 -59.48255 -57.41014 2.07241 1.91713 -57.35880 586.19194
5670.0000 -59.33741 -57.83829 1.49912 1.89675 -57.53304 527.54930
5675.0000 -59.21946 -57.71702 1.50244 1.89650 -57.53513 526.34611
5680.0000 -59.15723 -57.56988 1.58735 1.87159 -57.74817 481.53125
5685.0000 -59.61631 -58.07806 1.53825 1.86541 -57.80098 503.59538
5690.0000 -59.40981 -57.77317 1.63664 1.84769 -57.95245 495.61111
5695.0000 -59.34147 -57.37135 1.97012 1.87091 -57.75391 540.31502
5700.0000 -59.69706 -57.76690 1.93016 1.88168 -57.66190 569.40185
5705.0000 -59.02605 -57.58455 1.44150 1.88940 -57.59588 548.45768
5710.0000 -59.16391 -57.80026 1.36365 1.85348 -57.90300 473.36609
5715.0000 -58.79169 -57.01285 1.77884 1.91786 -57.35250 517.88393
5720.0000 -58.93783 -57.11975 1.81808 1.94164 -57.14921 580.90907
5725.0000 -58.57052 -57.27941 1.29111 1.94657 -57.10708 580.62571
5730.0000 -58.95351 -57.57950 1.37401 1.90626 -57.45171 513.35808
5735.0000 -59.60341 -57.87878 1.72463 1.88123 -57.66569 551.74346
5740.0000 -59.48675 -57.97620 1.51054 1.83692 -58.04457 504.95761
5745.0000 -59.82934 -58.19777 1.63157 1.86925 -57.76810 542.77310
5750.0000 -59.64581 -58.47500 1.17081 1.80590 -58.30974 462.66861
FREEZING PROCESS: loop number 24 T-loop= 493.00000000000000
main_MD> interactions number 24 at Temperature= 493.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.82469 1.77403 -2.92293
force_rgl> df(natom) 0.31052 -1.40142 2.36942
5755.0000 -59.64926 -58.17216 1.47710 1.78481 -58.49012 442.40105
5760.0000 -59.74703 -57.87348 1.87354 1.82031 -58.18657 470.98806
5765.0000 -59.87849 -57.72257 2.15592 1.87079 -57.75499 527.15900
5770.0000 -59.96713 -58.12280 1.84433 1.83601 -58.05235 491.04994
5775.0000 -59.20838 -57.70432 1.50406 1.85002 -57.93257 517.01606
5780.0000 -59.34429 -57.56779 1.77650 1.88619 -57.62332 553.81751
5785.0000 -59.55690 -57.58166 1.97524 1.86535 -57.80149 509.30156
5790.0000 -59.22248 -57.60808 1.61440 1.87858 -57.68838 514.88678
5795.0000 -59.63810 -57.93365 1.70445 1.87418 -57.72603 501.62216
5800.0000 -59.39412 -57.69697 1.69715 1.85546 -57.88605 502.69613
5805.0000 -59.49949 -57.81753 1.68196 1.87815 -57.69205 534.34227
5810.0000 -59.95066 -58.37829 1.57237 1.83909 -58.02596 488.54906
5815.0000 -59.62378 -57.67537 1.94841 1.83800 -58.03529 498.39194
5820.0000 -59.20953 -57.73247 1.47706 1.87002 -57.76157 533.08270
5825.0000 -59.26337 -57.57016 1.69321 1.87150 -57.74889 541.36097
5830.0000 -59.83055 -58.42668 1.40388 1.81807 -58.20576 477.09407
5835.0000 -59.79440 -58.18035 1.61405 1.80741 -58.29690 467.90630
5840.0000 -59.97075 -58.34428 1.62647 1.77878 -58.54169 444.23446
5845.0000 -59.69243 -58.00223 1.69021 1.84139 -58.00632 501.79417
5850.0000 -59.31870 -57.57161 1.74709 1.86843 -57.77517 518.03310
5855.0000 -59.10533 -57.57328 1.53204 1.90090 -57.49752 569.46008
5860.0000 -59.35358 -57.78435 1.56923 1.87472 -57.72137 519.29226
5865.0000 -59.87883 -57.94206 1.93677 1.85962 -57.85047 524.95397
5870.0000 -59.48387 -57.81624 1.66763 1.85494 -57.89051 512.80248
5875.0000 -59.50160 -57.93653 1.56507 1.81335 -58.24607 498.35430
5880.0000 -59.52585 -58.01491 1.51095 1.81753 -58.21036 486.96151
5885.0000 -59.90936 -57.90070 2.00865 1.83954 -58.02214 524.34641
5890.0000 -59.06572 -57.49868 1.56703 1.88186 -57.66032 535.45137
5895.0000 -59.23300 -57.28529 1.94771 1.89871 -57.51628 542.75475
5900.0000 -58.75771 -57.26695 1.49075 1.88524 -57.63142 517.67990
5905.0000 -59.56061 -58.18100 1.37961 1.86983 -57.76315 506.92263
5910.0000 -60.15160 -58.35373 1.79787 1.81651 -58.21903 480.21515
5915.0000 -59.68439 -58.15661 1.52778 1.80849 -58.28759 469.09280
5920.0000 -59.17324 -57.61201 1.56123 1.84106 -58.00916 522.21220
5925.0000 -60.04049 -58.64126 1.39923 1.83156 -58.09037 499.54802
5930.0000 -59.66139 -58.22024 1.44115 1.77343 -58.58741 439.88024
5935.0000 -59.74349 -57.56335 2.18014 1.87631 -57.70777 531.46705
5940.0000 -59.50950 -57.98385 1.52565 1.85853 -57.85982 497.94421
5945.0000 -60.14945 -58.19501 1.95444 1.82031 -58.18657 500.74245
5950.0000 -60.07334 -58.74028 1.33306 1.80608 -58.30826 468.66832
5955.0000 -59.74368 -58.30359 1.44009 1.81271 -58.25158 470.17497
5960.0000 -59.87320 -58.42373 1.44947 1.83235 -58.08361 495.46380
5965.0000 -59.78261 -58.42304 1.35957 1.81898 -58.19791 469.95141
5970.0000 -59.88763 -58.08611 1.80152 1.82582 -58.13942 518.88127
5975.0000 -59.13147 -57.49343 1.63805 1.83550 -58.05666 492.41979
5980.0000 -59.66790 -57.72884 1.93906 1.83231 -58.08400 472.52431
5985.0000 -59.86628 -58.41095 1.45533 1.84069 -58.01235 495.65710
5990.0000 -59.42410 -57.42230 2.00180 1.86064 -57.84173 528.72479
5995.0000 -59.72097 -58.03957 1.68141 1.88753 -57.61184 545.92403
6000.0000 -59.74815 -58.46955 1.27860 1.81412 -58.23946 476.57517
FREEZING PROCESS: loop number 25 T-loop= 468.00000000000000
main_MD> interactions number 25 at Temperature= 468.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16121 -3.49220 -1.35090
force_rgl> df(natom) 2.88891 -0.83070 1.98878
6005.0000 -59.35985 -58.12713 1.23272 1.80261 -58.33789 452.37340
6010.0000 -59.53995 -57.99070 1.54925 1.79935 -58.36579 432.73248
6015.0000 -59.64140 -58.06007 1.58134 1.85290 -57.90792 512.76798
6020.0000 -59.80035 -58.54917 1.25118 1.75106 -58.77865 392.05266
6025.0000 -59.90515 -58.53662 1.36853 1.80400 -58.32604 462.12860
6030.0000 -59.96257 -58.48152 1.48105 1.80047 -58.35617 457.80590
6035.0000 -59.81918 -58.55206 1.26713 1.77470 -58.57650 429.13722
6040.0000 -59.69634 -58.45656 1.23978 1.79513 -58.40185 437.69111
6045.0000 -60.08885 -58.69904 1.38981 1.76984 -58.61806 409.64290
6050.0000 -59.68360 -58.50185 1.18175 1.76708 -58.64166 399.12763
6055.0000 -60.10468 -58.46805 1.63664 1.81577 -58.22536 486.47688
6060.0000 -59.54876 -57.76212 1.78665 1.80724 -58.29832 469.47419
6065.0000 -59.90327 -58.27171 1.63157 1.85149 -57.91999 485.48649
6070.0000 -59.95576 -58.08388 1.87189 1.82161 -58.17549 479.40413
6075.0000 -59.28474 -57.64800 1.63674 1.86214 -57.82889 553.36845
6080.0000 -59.77996 -58.02920 1.75076 1.84377 -57.98598 498.82736
6085.0000 -59.81910 -58.22710 1.59200 1.81900 -58.19773 449.87922
6090.0000 -59.12624 -57.79302 1.33322 1.83650 -58.04817 468.29864
6095.0000 -59.00895 -57.33237 1.67658 1.90915 -57.42703 545.44464
6100.0000 -59.23813 -57.79242 1.44571 1.88201 -57.65906 502.30740
6105.0000 -59.18873 -57.62082 1.56791 1.91751 -57.35556 542.52123
6110.0000 -59.40084 -57.82594 1.57490 1.85544 -57.88620 480.55312
6115.0000 -59.79639 -58.01436 1.78203 1.87315 -57.73481 491.34566
6120.0000 -59.36602 -58.28331 1.08271 1.81438 -58.23730 451.40575
6125.0000 -59.49577 -57.72464 1.77112 1.82355 -58.15887 459.06593
6130.0000 -59.29456 -57.63148 1.66308 1.86855 -57.77416 487.46476
6135.0000 -59.13409 -57.70088 1.43322 1.90764 -57.43987 521.35385
6140.0000 -59.31603 -57.70102 1.61501 1.86955 -57.76561 539.13232
6145.0000 -59.87042 -58.34688 1.52354 1.82692 -58.13003 480.87820
6150.0000 -59.51632 -57.89791 1.61841 1.84522 -57.97361 468.20677
6155.0000 -59.18195 -57.76255 1.41940 1.84976 -57.93478 476.73720
6160.0000 -59.27462 -57.98589 1.28873 1.86170 -57.83271 493.56397
6165.0000 -59.44648 -57.51273 1.93375 1.88423 -57.64010 529.55171
6170.0000 -59.66800 -57.58659 2.08141 1.87695 -57.70231 534.85236
6175.0000 -60.10210 -58.67150 1.43060 1.81885 -58.19903 485.43267
6180.0000 -59.70486 -57.92845 1.77642 1.79905 -58.36835 450.35035
6185.0000 -59.93106 -58.25974 1.67132 1.82770 -58.12337 471.04367
6190.0000 -59.41958 -58.17363 1.24595 1.78986 -58.44688 416.51013
6195.0000 -59.41262 -57.87050 1.54212 1.81745 -58.21103 445.93224
6200.0000 -59.56663 -57.98899 1.57764 1.85612 -57.88042 470.19300
6205.0000 -59.56285 -58.28651 1.27634 1.81533 -58.22916 425.81517
6210.0000 -59.53332 -57.99275 1.54057 1.84951 -57.93687 472.94404
6215.0000 -60.26168 -58.71618 1.54550 1.81237 -58.25450 442.61767
6220.0000 -59.73533 -58.51281 1.22252 1.79043 -58.44201 434.70219
6225.0000 -59.54246 -57.92913 1.61333 1.81211 -58.25664 452.26258
6230.0000 -59.72776 -58.05225 1.67551 1.85232 -57.91290 503.66418
6235.0000 -59.94261 -58.64622 1.29640 1.82448 -58.15092 484.17604
6240.0000 -59.79041 -58.65703 1.13338 1.77792 -58.54901 423.46348
6245.0000 -59.74723 -58.17881 1.56842 1.81386 -58.24171 470.37693
6250.0000 -60.07939 -58.64708 1.43231 1.79862 -58.37205 459.00824
FREEZING PROCESS: loop number 26 T-loop= 443.00000000000000
main_MD> interactions number 26 at Temperature= 443.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22256 0.28113 0.65484
force_rgl> df(natom) 1.65220 -2.84844 2.19532
6255.0000 -59.41987 -58.03926 1.38062 1.81796 -58.20665 473.09094
6260.0000 -59.47648 -58.18829 1.28818 1.83572 -58.05484 474.32700
6265.0000 -59.74336 -58.21546 1.52790 1.81859 -58.20126 481.12262
6270.0000 -59.75435 -58.42863 1.32572 1.77303 -58.59083 419.98972
6275.0000 -59.90280 -58.70621 1.19659 1.79646 -58.39050 443.77449
6280.0000 -59.29872 -57.83717 1.46155 1.80370 -58.32854 460.80354
6285.0000 -59.80863 -58.11918 1.68945 1.84698 -57.95852 499.26417
6290.0000 -59.89233 -58.27567 1.61665 1.83113 -58.09409 476.55715
6295.0000 -59.92848 -58.47746 1.45102 1.80961 -58.27802 469.48588
6300.0000 -60.03034 -58.37688 1.65347 1.78080 -58.52437 427.00749
6305.0000 -60.18058 -59.32991 0.85067 1.74409 -58.83827 386.90252
6310.0000 -60.13893 -59.19498 0.94395 1.70785 -59.14808 349.55014
6315.0000 -59.34247 -57.77737 1.56510 1.79133 -58.43438 443.51148
6320.0000 -59.72387 -58.29097 1.43291 1.87174 -57.74689 529.25907
6325.0000 -59.96162 -58.33321 1.62841 1.79779 -58.37914 442.85602
6330.0000 -59.55670 -58.17609 1.38062 1.86650 -57.79162 539.66897
6335.0000 -59.58522 -57.72474 1.86047 1.83819 -58.03369 478.78746
6340.0000 -59.73205 -58.41336 1.31868 1.80380 -58.32770 489.20031
6345.0000 -59.96242 -58.74967 1.21275 1.77923 -58.53776 420.49779
6350.0000 -60.00219 -58.70787 1.29432 1.74282 -58.84906 396.46849
6355.0000 -60.18188 -59.29347 0.88841 1.72615 -58.99167 378.30570
6360.0000 -59.92298 -58.50493 1.41805 1.75271 -58.76453 410.66853
6365.0000 -60.03795 -58.92673 1.11122 1.79488 -58.40395 443.85650
6370.0000 -60.01082 -58.92748 1.08334 1.73076 -58.95218 388.01309
6375.0000 -60.07752 -58.64500 1.43252 1.76429 -58.66556 402.01093
6380.0000 -59.42030 -58.00574 1.41456 1.81051 -58.27032 456.44428
6385.0000 -59.17772 -57.33347 1.84425 1.89366 -57.55940 573.60539
6390.0000 -59.61911 -57.82509 1.79402 1.91622 -57.36656 585.71862
6395.0000 -60.19489 -59.06351 1.13138 1.79837 -58.37419 451.51301
6400.0000 -59.70594 -58.44454 1.26141 1.75812 -58.71827 409.18029
6405.0000 -59.81933 -58.60504 1.21428 1.80152 -58.34724 455.52265
6410.0000 -59.98834 -58.88848 1.09986 1.77368 -58.58527 435.19451
6415.0000 -60.28486 -59.25966 1.02520 1.71899 -59.05284 361.05168
6420.0000 -60.26812 -59.04811 1.22000 1.70889 -59.13924 349.85433
6425.0000 -59.58062 -58.09168 1.48894 1.79580 -58.39611 473.96974
6430.0000 -59.85611 -58.52963 1.32648 1.82566 -58.14080 484.56459
6435.0000 -59.85127 -58.45906 1.39221 1.77071 -58.61068 433.30880
6440.0000 -59.65083 -58.55357 1.09726 1.79581 -58.39602 451.18984
6445.0000 -60.24193 -58.65511 1.58682 1.77282 -58.59260 431.82713
6450.0000 -60.19106 -58.95053 1.24054 1.73624 -58.90537 396.91410
6455.0000 -59.88863 -58.73575 1.15288 1.74615 -58.82061 372.71235
6460.0000 -60.08487 -58.57010 1.51477 1.75183 -58.77209 389.23209
6465.0000 -59.42789 -58.46753 0.96036 1.80254 -58.33852 473.62690
6470.0000 -60.04854 -58.52562 1.52292 1.78149 -58.51847 428.44185
6475.0000 -59.78290 -58.69115 1.09175 1.78971 -58.44823 429.17764
6480.0000 -59.70089 -58.26624 1.43465 1.76131 -58.69103 397.65068
6485.0000 -60.01690 -58.54859 1.46831 1.79326 -58.41783 433.51520
6490.0000 -60.24678 -58.83036 1.41641 1.73919 -58.88013 379.17147
6495.0000 -60.05763 -59.06358 0.99405 1.72371 -59.01252 364.21528
6500.0000 -59.76895 -58.24399 1.52496 1.74260 -58.85098 374.95278
FREEZING PROCESS: loop number 27 T-loop= 418.00000000000000
main_MD> interactions number 27 at Temperature= 418.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.92270 -0.10713 -0.66185
force_rgl> df(natom) -0.04526 -0.63804 -0.79654
6505.0000 -59.93241 -58.86284 1.06958 1.77073 -58.61044 399.42563
6510.0000 -60.06910 -58.75181 1.31730 1.74958 -58.79129 397.26458
6515.0000 -60.63409 -59.48501 1.14908 1.71414 -59.09432 353.45549
6520.0000 -60.14054 -59.07516 1.06538 1.74199 -58.85617 379.69984
6525.0000 -59.55080 -58.34031 1.21049 1.75044 -58.78399 382.83744
6530.0000 -59.82355 -58.52069 1.30286 1.78803 -58.46260 424.81375
6535.0000 -60.09653 -58.43096 1.66557 1.81073 -58.26849 478.24482
6540.0000 -59.94517 -57.86000 2.08518 1.82699 -58.12945 487.86416
6545.0000 -59.58904 -58.10516 1.48388 1.82699 -58.12945 446.23561
6550.0000 -60.11381 -58.55475 1.55906 1.79988 -58.36126 457.38848
6555.0000 -59.49109 -58.27005 1.22104 1.81987 -58.19030 448.42562
6560.0000 -60.02185 -58.55567 1.46618 1.75580 -58.73814 392.75283
6565.0000 -59.58956 -58.40631 1.18325 1.78333 -58.50274 453.94169
6570.0000 -59.62055 -58.57257 1.04798 1.79488 -58.40402 455.26146
6575.0000 -60.23740 -58.69683 1.54057 1.78201 -58.51402 431.82849
6580.0000 -60.02832 -58.99404 1.03428 1.76709 -58.64155 422.29022
6585.0000 -59.98515 -58.51220 1.47296 1.72960 -58.96212 374.17513
6590.0000 -60.09959 -58.43746 1.66213 1.75118 -58.77759 395.08603
6595.0000 -59.94953 -58.38332 1.56621 1.78158 -58.51769 441.63762
6600.0000 -60.24957 -58.86950 1.38007 1.74147 -58.86064 384.73927
6605.0000 -59.89104 -58.80149 1.08955 1.74381 -58.84061 394.21324
6610.0000 -59.84294 -58.50244 1.34050 1.76454 -58.66340 421.86136
6615.0000 -59.72135 -58.58268 1.13866 1.76020 -58.70048 400.02420
6620.0000 -59.93010 -58.91819 1.01191 1.74661 -58.81668 393.32261
6625.0000 -60.04713 -58.69271 1.35443 1.73550 -58.91172 381.99756
6630.0000 -60.32472 -59.04794 1.27678 1.72210 -59.02623 367.43050
6635.0000 -60.14081 -58.68234 1.45847 1.74648 -58.81780 377.65754
6640.0000 -59.75490 -58.51723 1.23767 1.77102 -58.60798 419.52853
6645.0000 -59.68272 -58.63993 1.04279 1.77626 -58.56319 417.42620
6650.0000 -59.66822 -57.70394 1.96428 1.79094 -58.43771 443.55500
6655.0000 -59.40651 -57.41247 1.99404 1.89227 -57.57131 544.58732
6660.0000 -60.07170 -58.68338 1.38832 1.82101 -58.18061 484.63805
6665.0000 -60.16554 -58.57440 1.59114 1.76121 -58.69183 415.81068
6670.0000 -60.29247 -59.00088 1.29159 1.77332 -58.58833 426.95829
6675.0000 -60.06903 -58.80330 1.26572 1.71984 -59.04554 355.64125
6680.0000 -59.99991 -59.06600 0.93391 1.73613 -58.90630 386.83243
6685.0000 -59.89842 -58.59064 1.30778 1.72359 -59.01354 366.22124
6690.0000 -59.79866 -58.41415 1.38451 1.80771 -58.29433 473.91711
6695.0000 -59.84991 -58.74057 1.10934 1.82046 -58.18528 463.02696
6700.0000 -59.73870 -58.72237 1.01633 1.72116 -59.03429 342.55960
6705.0000 -60.37139 -59.27717 1.09423 1.70263 -59.19269 320.55388
6710.0000 -60.16982 -58.60422 1.56560 1.73542 -58.91235 371.41043
6715.0000 -60.35617 -59.28910 1.06707 1.73056 -58.95389 365.65333
6720.0000 -60.00665 -59.09095 0.91569 1.66463 -59.51761 284.75424
6725.0000 -59.87519 -58.40922 1.46596 1.76167 -58.68791 399.11335
6730.0000 -60.03097 -58.69220 1.33877 1.77686 -58.55805 422.31539
6735.0000 -60.05852 -58.79080 1.26772 1.75657 -58.73151 399.66871
6740.0000 -60.04766 -58.57432 1.47334 1.76080 -58.69536 398.87634
6745.0000 -59.63840 -58.47193 1.16647 1.77061 -58.61148 383.52869
6750.0000 -59.93550 -58.84851 1.08699 1.76720 -58.64065 393.12179
FREEZING PROCESS: loop number 28 T-loop= 393.00000000000000
main_MD> interactions number 28 at Temperature= 393.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30164 0.04300 0.27750
force_rgl> df(natom) 0.91544 -0.97060 -0.10663
6755.0000 -60.14600 -58.83925 1.30675 1.75699 -58.72798 402.88006
6760.0000 -59.97078 -58.58709 1.38369 1.77399 -58.58258 411.28403
6765.0000 -59.99883 -58.69011 1.30871 1.75822 -58.71746 395.49108
6770.0000 -59.53171 -58.51873 1.01297 1.77505 -58.57356 402.01221
6775.0000 -60.05298 -59.00633 1.04665 1.76301 -58.67649 417.40434
6780.0000 -60.11381 -58.66079 1.45302 1.76839 -58.63051 427.94825
6785.0000 -59.94144 -58.36101 1.58043 1.76118 -58.69215 415.49667
6790.0000 -60.08748 -58.98057 1.10691 1.77630 -58.56288 422.13338
6795.0000 -60.26362 -58.81074 1.45288 1.75360 -58.75697 412.67566
6800.0000 -59.70715 -58.47912 1.22803 1.74646 -58.81800 392.70522
6805.0000 -60.09130 -58.99828 1.09302 1.77268 -58.59381 411.93163
6810.0000 -59.77712 -58.37824 1.39888 1.76047 -58.69815 408.40754
6815.0000 -59.66712 -58.26878 1.39834 1.77964 -58.53429 415.76044
6820.0000 -59.74782 -58.69269 1.05513 1.77797 -58.54855 373.76201
6825.0000 -59.72804 -58.15609 1.57196 1.80722 -58.29851 438.32356
6830.0000 -59.80591 -58.60089 1.20503 1.79405 -58.41109 460.53552
6835.0000 -59.88675 -58.55793 1.32883 1.76267 -58.67936 403.22967
6840.0000 -59.70875 -58.53805 1.17070 1.76088 -58.69466 401.03895
6845.0000 -59.98851 -58.82020 1.16831 1.74115 -58.86338 389.52877
6850.0000 -60.01720 -58.50900 1.50821 1.73442 -58.92088 397.48251
6855.0000 -60.29754 -58.89487 1.40267 1.76372 -58.67038 411.22340
6860.0000 -60.46992 -59.30498 1.16494 1.72062 -59.03894 355.54451
6865.0000 -60.40280 -59.32797 1.07483 1.70280 -59.19123 332.52068
6870.0000 -60.36251 -59.20248 1.16003 1.70366 -59.18395 338.69009
6875.0000 -59.73444 -58.62538 1.10906 1.73531 -58.91333 371.09982
6880.0000 -60.16674 -58.61301 1.55373 1.78286 -58.50679 436.90029
6885.0000 -59.92098 -58.67006 1.25092 1.77090 -58.60903 423.24479
6890.0000 -60.44723 -59.14641 1.30082 1.72590 -58.99375 374.04405
6895.0000 -59.95001 -58.91553 1.03448 1.73842 -58.88671 372.51918
6900.0000 -59.65001 -58.23595 1.41406 1.76263 -58.67969 408.42266
6905.0000 -59.76913 -58.31038 1.45875 1.80803 -58.29155 461.46469
6910.0000 -59.29444 -58.29806 0.99637 1.80264 -58.33763 435.44100
6915.0000 -59.48394 -58.25914 1.22479 1.79533 -58.40012 431.48132
6920.0000 -59.31737 -57.81677 1.50060 1.83057 -58.09885 473.14353
6925.0000 -59.94837 -58.53741 1.41096 1.82724 -58.12731 493.03762
6930.0000 -60.04123 -58.81342 1.22780 1.75539 -58.74163 399.45705
6935.0000 -60.02264 -59.08385 0.93879 1.75630 -58.73381 404.95776
6940.0000 -60.43106 -59.35592 1.07513 1.71778 -59.06323 353.19209
6945.0000 -60.02560 -58.80610 1.21950 1.73318 -58.93152 392.83403
6950.0000 -60.48598 -58.74273 1.74325 1.75209 -58.76987 408.33916
6955.0000 -59.56696 -58.24524 1.32172 1.76704 -58.64206 414.10927
6960.0000 -59.83477 -58.78210 1.05267 1.77881 -58.54138 426.14698
6965.0000 -60.02482 -58.76375 1.26106 1.76994 -58.61723 416.87399
6970.0000 -60.27461 -59.01843 1.25619 1.76113 -58.69256 400.32021
6975.0000 -60.20936 -58.75845 1.45091 1.74205 -58.85569 386.81009
6980.0000 -60.07040 -58.71124 1.35916 1.71958 -59.04782 368.30674
6985.0000 -59.71758 -58.73054 0.98703 1.75578 -58.73829 399.04861
6990.0000 -60.38192 -58.92707 1.45485 1.76699 -58.64248 410.16325
6995.0000 -59.88850 -58.78277 1.10573 1.74317 -58.84611 388.16477
7000.0000 -59.97635 -58.54455 1.43180 1.74587 -58.82302 387.70206
FREEZING PROCESS: loop number 29 T-loop= 368.00000000000000
main_MD> interactions number 29 at Temperature= 368.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20719 -0.28493 -1.24404
force_rgl> df(natom) 0.50233 -0.66641 1.92188
7005.0000 -60.38820 -59.38024 1.00796 1.73502 -58.91575 380.64063
7010.0000 -60.22872 -58.74934 1.47938 1.71288 -59.10507 354.65265
7015.0000 -60.26066 -59.11534 1.14533 1.74181 -58.85771 386.37571
7020.0000 -60.48291 -59.08447 1.39844 1.74458 -58.83408 390.80790
7025.0000 -60.22875 -59.18575 1.04300 1.72450 -59.00571 368.08727
7030.0000 -60.41013 -59.36387 1.04626 1.69746 -59.23690 330.61250
7035.0000 -60.09651 -59.17921 0.91730 1.69157 -59.28724 325.75639
7040.0000 -60.18742 -59.03116 1.15626 1.73117 -58.94869 379.88279
7045.0000 -60.18168 -59.23664 0.94504 1.71599 -59.07853 366.51547
7050.0000 -60.18804 -58.87160 1.31643 1.72021 -59.04243 369.28674
7055.0000 -60.17056 -59.12519 1.04537 1.74291 -58.84837 387.08773
7060.0000 -60.28921 -59.12488 1.16433 1.72897 -58.96750 364.69722
7065.0000 -60.74180 -59.66483 1.07698 1.68687 -59.32750 323.04426
7070.0000 -59.76543 -58.53754 1.22789 1.72288 -59.01963 373.07489
7075.0000 -59.77725 -58.45207 1.32518 1.79949 -58.36460 445.79428
7080.0000 -59.49564 -58.47399 1.02165 1.78634 -58.47705 409.57707
7085.0000 -59.53610 -58.29723 1.23887 1.82062 -58.18396 459.34458
7090.0000 -60.05800 -58.83981 1.21819 1.79366 -58.41442 441.47949
7095.0000 -60.01292 -58.91991 1.09301 1.74703 -58.81308 387.06098
7100.0000 -60.14038 -59.07465 1.06574 1.72795 -58.97621 372.78931
7105.0000 -59.96935 -59.22020 0.74914 1.69366 -59.26939 324.08516
7110.0000 -60.50850 -59.20947 1.29903 1.70303 -59.18928 340.40446
7115.0000 -60.29228 -59.25341 1.03887 1.70568 -59.16661 343.71428
7120.0000 -59.82402 -58.74631 1.07772 1.73487 -58.91704 349.21554
7125.0000 -60.12064 -59.15523 0.96541 1.72689 -58.98528 362.36730
7130.0000 -60.23791 -59.24714 0.99077 1.70869 -59.14094 351.15317
7135.0000 -60.43866 -59.38738 1.05128 1.69899 -59.22383 341.08350
7140.0000 -60.24100 -59.19707 1.04394 1.69641 -59.24587 328.03018
7145.0000 -60.26013 -59.10070 1.15943 1.70882 -59.13978 352.80865
7150.0000 -60.27387 -58.79952 1.47435 1.72668 -58.98713 368.42374
7155.0000 -60.07170 -58.84364 1.22805 1.76702 -58.64223 417.50531
7160.0000 -60.45889 -59.40667 1.05222 1.71217 -59.11116 356.38871
7165.0000 -60.57305 -59.17911 1.39394 1.68997 -59.30096 322.74848
7170.0000 -60.48041 -59.43099 1.04942 1.69405 -59.26604 330.12785
7175.0000 -60.34522 -59.19877 1.14646 1.69271 -59.27757 333.27161
7180.0000 -59.77286 -58.26573 1.50712 1.76376 -58.67005 425.51948
7185.0000 -60.31277 -59.16860 1.14418 1.73656 -58.90260 357.97358
7190.0000 -60.05347 -58.79206 1.26141 1.73395 -58.92492 371.98671
7195.0000 -60.20120 -59.28703 0.91417 1.71704 -59.06949 337.83334
7200.0000 -60.37906 -59.27027 1.10879 1.69387 -59.26763 323.00526
7205.0000 -60.24947 -58.87067 1.37879 1.69412 -59.26545 339.67385
7210.0000 -60.37815 -59.35431 1.02385 1.72966 -58.96158 374.57673
7215.0000 -59.91329 -58.99036 0.92293 1.70349 -59.18539 352.05770
7220.0000 -59.88727 -58.42892 1.45834 1.76286 -58.67772 407.20644
7225.0000 -60.23274 -58.58930 1.64344 1.78724 -58.46932 444.16116
7230.0000 -59.96836 -58.85061 1.11774 1.77219 -58.59797 408.38389
7235.0000 -60.20182 -59.06382 1.13799 1.73260 -58.93649 387.28409
7240.0000 -60.28043 -59.11118 1.16925 1.71333 -59.10123 348.61179
7245.0000 -60.17503 -58.73886 1.43618 1.74955 -58.79156 405.90422
7250.0000 -60.01981 -59.13190 0.88792 1.73253 -58.93709 373.75205
FREEZING PROCESS: loop number 30 T-loop= 343.00000000000000
main_MD> interactions number 30 at Temperature= 343.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85491 -4.09646 -2.21733
force_rgl> df(natom) -1.39882 2.86357 -1.31801
7255.0000 -59.88939 -58.65321 1.23618 1.73100 -58.95018 371.91305
7260.0000 -60.01370 -58.93257 1.08114 1.75847 -58.71529 384.07673
7265.0000 -60.31917 -59.25690 1.06227 1.71640 -59.07495 341.69617
7270.0000 -60.53363 -59.26519 1.26844 1.71916 -59.05141 344.70894
7275.0000 -60.49082 -59.63237 0.85845 1.67668 -59.41455 318.65018
7280.0000 -60.30083 -59.55762 0.74321 1.65829 -59.57178 279.79169
7285.0000 -60.19871 -58.84366 1.35505 1.69846 -59.22836 334.66957
7290.0000 -60.00565 -59.03103 0.97462 1.72319 -59.01692 353.69263
7295.0000 -60.11777 -58.68028 1.43749 1.75480 -58.74663 399.70886
7300.0000 -59.67784 -58.62491 1.05293 1.75306 -58.76153 397.54855
7305.0000 -60.28180 -59.01932 1.26247 1.74065 -58.86769 395.67268
7310.0000 -60.37735 -59.25562 1.12173 1.70742 -59.15174 340.56296
7315.0000 -59.95169 -58.89801 1.05368 1.70912 -59.13720 350.42354
7320.0000 -60.28815 -59.17587 1.11228 1.71913 -59.05164 356.61445
7325.0000 -60.27321 -58.88626 1.38695 1.72580 -58.99465 370.69415
7330.0000 -60.29267 -59.03617 1.25650 1.72320 -59.01688 361.16859
7335.0000 -60.10204 -58.83141 1.27063 1.71480 -59.08864 369.88623
7340.0000 -60.33744 -59.25305 1.08438 1.72891 -58.96807 378.54284
7345.0000 -60.22333 -58.74132 1.48201 1.74193 -58.85670 375.68065
7350.0000 -60.42927 -59.26602 1.16324 1.72498 -59.00161 356.02170
7355.0000 -60.32970 -59.16766 1.16204 1.71258 -59.10762 344.06648
7360.0000 -60.28227 -59.30922 0.97304 1.70224 -59.19609 331.29061
7365.0000 -60.43627 -59.51981 0.91647 1.68990 -59.30156 323.46199
7370.0000 -60.46194 -59.77848 0.68346 1.67360 -59.44091 294.67731
7375.0000 -60.37061 -59.58129 0.78932 1.66154 -59.54401 295.32213
7380.0000 -60.53747 -59.51750 1.01997 1.68081 -59.37928 313.77941
7385.0000 -60.40293 -59.42425 0.97868 1.68965 -59.30366 318.52121
7390.0000 -60.38431 -59.33201 1.05230 1.68858 -59.31285 322.43132
7395.0000 -60.17182 -59.08680 1.08502 1.70914 -59.13705 355.36403
7400.0000 -60.37827 -59.17865 1.19963 1.71855 -59.05659 370.35393
7405.0000 -60.39053 -59.43210 0.95843 1.67220 -59.45290 306.93796
7410.0000 -60.44639 -59.13503 1.31135 1.69088 -59.29320 328.64437
7415.0000 -59.88044 -58.52921 1.35123 1.74410 -58.83818 390.52825
7420.0000 -59.97201 -58.95468 1.01734 1.74943 -58.79262 377.85831
7425.0000 -60.31914 -59.48814 0.83100 1.70603 -59.16361 315.85384
7430.0000 -60.61096 -59.50642 1.10454 1.67232 -59.45184 287.56059
7435.0000 -60.52398 -59.34719 1.17679 1.67347 -59.44200 297.73147
7440.0000 -60.34344 -59.06024 1.28320 1.72834 -58.97289 377.10958
7445.0000 -60.07631 -58.88861 1.18770 1.72228 -59.02474 361.52192
7450.0000 -60.37008 -59.25120 1.11888 1.72316 -59.01721 363.28776
7455.0000 -60.25672 -59.37170 0.88502 1.66642 -59.50233 291.96119
7460.0000 -60.57700 -59.38220 1.19480 1.69168 -59.28633 322.42665
7465.0000 -60.02214 -58.86325 1.15889 1.70022 -59.21329 325.95691
7470.0000 -60.04454 -58.78044 1.26410 1.73519 -58.91435 374.17001
7475.0000 -60.12903 -59.06701 1.06203 1.73030 -58.95617 381.04255
7480.0000 -60.63066 -59.40954 1.22113 1.67151 -59.45878 310.42632
7485.0000 -60.34870 -59.29442 1.05428 1.69114 -59.29095 331.06595
7490.0000 -60.09119 -58.78527 1.30592 1.73350 -58.92875 370.13780
7495.0000 -60.30873 -58.96288 1.34586 1.75098 -58.77936 392.28242
7500.0000 -60.23152 -59.14652 1.08501 1.73808 -58.88961 388.07109
FREEZING PROCESS: loop number 31 T-loop= 318.00000000000000
main_MD> interactions number 31 at Temperature= 318.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.26470 1.83591 0.57738
force_rgl> df(natom) 2.47764 -1.80943 -0.61692
7505.0000 -60.29241 -59.43454 0.85787 1.69116 -59.29082 328.19180
7510.0000 -60.48945 -59.35834 1.13110 1.68398 -59.35214 306.79754
7515.0000 -60.38978 -59.17260 1.21718 1.71090 -59.12199 345.91080
7520.0000 -60.33601 -59.27948 1.05653 1.68835 -59.31484 319.63546
7525.0000 -60.47182 -59.38952 1.08230 1.68171 -59.37155 308.24945
7530.0000 -60.67611 -59.77613 0.89998 1.63274 -59.79026 259.15362
7535.0000 -60.32790 -59.40196 0.92595 1.66266 -59.53444 290.96880
7540.0000 -60.36556 -59.41674 0.94882 1.67199 -59.45468 310.95771
7545.0000 -60.38168 -59.48435 0.89733 1.67274 -59.44828 307.60025
7550.0000 -60.39646 -59.30220 1.09426 1.68898 -59.30943 328.93334
7555.0000 -60.22880 -59.25888 0.96992 1.68606 -59.33438 317.18557
7560.0000 -60.55378 -59.51653 1.03724 1.70723 -59.15337 342.27283
7565.0000 -60.45195 -59.66486 0.78709 1.65025 -59.64054 277.72771
7570.0000 -60.29665 -59.32963 0.96701 1.66829 -59.48636 291.59769
7575.0000 -60.57649 -59.78588 0.79060 1.63436 -59.77638 251.09242
7580.0000 -60.37097 -59.40715 0.96383 1.65344 -59.61326 278.36192
7585.0000 -60.44532 -59.33438 1.11094 1.67688 -59.41285 306.45001
7590.0000 -60.38984 -59.58740 0.80243 1.66550 -59.51019 286.54130
7595.0000 -60.41261 -59.28489 1.12772 1.65518 -59.59841 280.99503
7600.0000 -60.39624 -59.36490 1.03134 1.68968 -59.30344 329.59392
7605.0000 -60.39410 -59.38557 1.00853 1.67040 -59.46830 302.37634
7610.0000 -59.94482 -58.58410 1.36072 1.70711 -59.15442 348.88074
7615.0000 -60.41731 -59.34847 1.06883 1.74616 -58.82057 389.86769
7620.0000 -60.30839 -59.41713 0.89127 1.66976 -59.47374 302.60226
7625.0000 -60.38713 -59.47268 0.91445 1.65854 -59.56972 281.66111
7630.0000 -60.34981 -59.22153 1.12828 1.70983 -59.13114 340.92590
7635.0000 -60.30726 -59.44832 0.85893 1.69005 -59.30025 322.15498
7640.0000 -60.42974 -59.16452 1.26522 1.69207 -59.28298 316.63413
7645.0000 -60.59003 -59.37780 1.21223 1.69586 -59.25064 337.71012
7650.0000 -60.38838 -59.69973 0.68865 1.66435 -59.52005 296.29513
7655.0000 -60.81948 -59.74668 1.07280 1.64306 -59.70203 276.25053
7660.0000 -60.59497 -59.55712 1.03785 1.64172 -59.71345 268.94185
7665.0000 -59.83738 -58.95120 0.88618 1.67867 -59.39759 311.76042
7670.0000 -60.38735 -59.45718 0.93017 1.70839 -59.14350 347.23828
7675.0000 -60.36552 -59.52515 0.84038 1.66517 -59.51299 302.46086
7680.0000 -60.33454 -59.11719 1.21736 1.68504 -59.34314 316.98770
7685.0000 -60.52223 -59.43186 1.09036 1.68787 -59.31888 325.91921
7690.0000 -60.37952 -59.58109 0.79843 1.65829 -59.57180 280.36399
7695.0000 -60.39578 -59.32166 1.07411 1.68554 -59.33885 326.63430
7700.0000 -60.15774 -59.14166 1.01607 1.70344 -59.18580 338.64685
7705.0000 -60.29848 -59.21465 1.08383 1.69434 -59.26360 325.70287
7710.0000 -60.37747 -59.15455 1.22293 1.68017 -59.38474 307.00080
7715.0000 -60.25908 -58.82758 1.43150 1.72564 -58.99596 378.63095
7720.0000 -60.45409 -59.41403 1.04006 1.72998 -58.95885 380.08940
7725.0000 -60.30920 -59.66530 0.64391 1.66313 -59.53041 286.33522
7730.0000 -60.58079 -59.68741 0.89338 1.64271 -59.70504 263.08467
7735.0000 -60.51309 -59.46248 1.05062 1.66672 -59.49973 292.56726
7740.0000 -60.56214 -59.45678 1.10536 1.68518 -59.34196 328.79552
7745.0000 -60.12524 -59.18429 0.94095 1.69088 -59.29318 326.41086
7750.0000 -60.51082 -59.42246 1.08835 1.67150 -59.45885 296.29051
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 6.7692205 [s].
main_MD> Deallocating global variables
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