tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_42/freeze.log

1704 lines
168 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_42.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 = 42 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1500
main_MD> Size of nv and nvoiz: 42 4200
main_MD> Size of nv and nvoiz: 42 4200
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 = 42
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.17903296843862446 -2.4699821960200417E-003 -0.16201825320632915 initial drift of cluster / NP1 for coalescence
init> 0.35329173038885431 0.30981530578299044 0.27617524085933343 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5037847429861399E-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) 2.14471 0.45283 -0.60582
force_rgl> df(natom) -3.17157 3.17293 -1.58828
preparo> THERMALIZATION PROCESS AT 1066.8145681810975
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -93.464420827376500 5.2051616591115497 -98.669582486488054 5.4777520950939737E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 30
FREEZING PROCESS: loop number 1 T-loop= 1040.0000000000000
main_MD> interactions number 1 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.41647 -2.48440 -1.21017
force_rgl> df(natom) 0.08717 -0.85528 -1.64156
5.0000 -98.50198 -93.87703 4.62495 2.47674 -93.97410 941.52948
10.0000 -97.32322 -92.58362 4.73960 2.57771 -92.75409 978.38720
15.0000 -97.58495 -91.83753 5.74742 2.62588 -92.17206 1002.11648
20.0000 -97.48180 -92.44092 5.04088 2.66392 -91.71249 1075.34739
25.0000 -97.94992 -91.71526 6.23466 2.64915 -91.89099 1035.81300
30.0000 -97.84991 -92.45221 5.39771 2.68234 -91.48987 1082.75272
35.0000 -97.87657 -91.34664 6.52993 2.65035 -91.87650 1004.76535
40.0000 -97.73875 -92.73756 5.00118 2.72016 -91.03297 1105.20107
45.0000 -97.78924 -91.54899 6.24025 2.59908 -92.49589 1008.11135
50.0000 -98.09811 -92.30681 5.79130 2.64324 -91.96238 1049.01274
55.0000 -98.52376 -93.79248 4.73128 2.51658 -93.49279 915.13294
60.0000 -97.36043 -92.13151 5.22892 2.56317 -92.92985 1007.40199
65.0000 -96.54415 -91.41447 5.12968 2.64475 -91.94414 1050.04455
70.0000 -97.82936 -91.56032 6.26904 2.65738 -91.79150 1042.35159
75.0000 -97.25425 -90.97514 6.27911 2.69120 -91.38284 1051.90065
80.0000 -96.93572 -91.57904 5.35668 2.73030 -90.91045 1122.87566
85.0000 -96.93470 -91.67796 5.25674 2.65741 -91.79115 1144.19454
90.0000 -99.16351 -93.61560 5.54790 2.58380 -92.68055 980.61181
95.0000 -98.42222 -93.71807 4.70415 2.52978 -93.33326 978.47026
100.0000 -97.76717 -93.17430 4.59287 2.51695 -93.48827 969.97591
105.0000 -97.65032 -92.21449 5.43583 2.55857 -92.98537 973.18457
110.0000 -97.21498 -92.30493 4.91005 2.62011 -92.24185 1074.23886
115.0000 -98.55166 -93.11702 5.43464 2.59739 -92.51630 1030.72238
120.0000 -97.93072 -91.45231 6.47841 2.63324 -92.08322 1104.52347
125.0000 -97.90080 -91.47381 6.42699 2.67763 -91.54681 1076.27212
130.0000 -96.68776 -90.49414 6.19362 2.72187 -91.01235 1090.78064
135.0000 -97.96700 -91.10733 6.85967 2.76947 -90.43718 1165.20969
140.0000 -97.54189 -91.08200 6.45989 2.61619 -92.28920 1020.67380
145.0000 -95.63740 -88.76524 6.87216 2.84467 -89.52857 1208.06915
150.0000 -96.87933 -91.29817 5.58116 2.80374 -90.02308 1187.30226
155.0000 -97.31843 -91.99709 5.32133 2.58306 -92.68946 1039.65065
160.0000 -98.12058 -91.05161 7.06897 2.66590 -91.68858 1047.80835
165.0000 -98.84906 -92.33054 6.51853 2.67653 -91.56010 1100.41639
170.0000 -98.53801 -93.42659 5.11141 2.59586 -92.53488 1000.72708
175.0000 -97.08652 -92.95595 4.13057 2.51174 -93.55129 942.01197
180.0000 -98.50628 -93.40722 5.09906 2.55479 -93.03103 938.52660
185.0000 -98.21597 -92.33392 5.88205 2.51720 -93.48525 990.86537
190.0000 -97.30378 -92.29982 5.00396 2.62295 -92.20756 1015.13025
195.0000 -96.54214 -89.55464 6.98750 2.77945 -90.31654 1181.06218
200.0000 -97.74593 -90.98048 6.76545 2.82749 -89.73609 1221.96220
205.0000 -97.68205 -91.83407 5.84798 2.62215 -92.21717 996.02431
210.0000 -97.54080 -91.33454 6.20626 2.73935 -90.80114 1085.70732
215.0000 -96.61724 -90.74642 5.87081 2.76978 -90.43339 1113.61214
220.0000 -97.65407 -91.54847 6.10560 2.68686 -91.43533 1101.59929
225.0000 -95.35248 -89.24986 6.10262 2.74109 -90.78012 1126.27414
230.0000 -96.84130 -90.06099 6.78031 2.83163 -89.68611 1167.39538
235.0000 -96.59726 -89.38795 7.20931 2.91698 -88.65485 1235.50660
240.0000 -98.09455 -92.19257 5.90198 2.68585 -91.44749 1114.15164
245.0000 -98.95419 -93.68756 5.26663 2.54740 -93.12043 1012.92478
250.0000 -98.04311 -92.33016 5.71295 2.61133 -92.34789 1032.84476
FREEZING PROCESS: loop number 2 T-loop= 1015.0000000000000
main_MD> interactions number 2 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.50888 0.55233 1.96515
force_rgl> df(natom) 2.13303 2.88101 0.28782
255.0000 -98.09414 -92.72619 5.36795 2.59057 -92.59879 1027.13718
260.0000 -98.37798 -93.77371 4.60427 2.48867 -93.83005 960.25969
265.0000 -97.77835 -91.71711 6.06124 2.56396 -92.92034 995.69669
270.0000 -97.81719 -91.81591 6.00128 2.68622 -91.44310 1088.28113
275.0000 -98.46796 -92.33099 6.13697 2.61570 -92.29518 1064.69276
280.0000 -97.97374 -90.83241 7.14133 2.67526 -91.57548 1052.08954
285.0000 -98.28544 -92.41595 5.86949 2.67503 -91.57825 1104.01404
290.0000 -97.37358 -91.46147 5.91211 2.68945 -91.40399 1112.92412
295.0000 -98.01629 -93.03269 4.98360 2.63160 -92.10303 1011.01157
300.0000 -97.02872 -91.95873 5.07000 2.65892 -91.77286 1088.99118
305.0000 -96.31211 -89.54280 6.76931 2.75412 -90.62263 1130.39451
310.0000 -97.83900 -91.74241 6.09659 2.74564 -90.72505 1137.72545
315.0000 -97.44728 -91.74519 5.70209 2.70705 -91.19132 1097.39639
320.0000 -96.84298 -91.28555 5.55743 2.68355 -91.47525 1063.52380
325.0000 -98.20799 -91.48051 6.72748 2.70373 -91.23153 1103.26202
330.0000 -98.29227 -92.75006 5.54221 2.62977 -92.12508 1038.48259
335.0000 -98.34897 -92.95767 5.39130 2.52047 -93.44579 952.90537
340.0000 -98.09212 -91.61491 6.47721 2.65610 -91.80697 1075.55303
345.0000 -97.78616 -92.83855 4.94761 2.63371 -92.07753 1070.51108
350.0000 -98.02829 -93.12399 4.90431 2.58776 -92.63275 1016.92503
355.0000 -98.21271 -93.79008 4.42263 2.48683 -93.85228 978.50042
360.0000 -97.27830 -91.78598 5.49232 2.54907 -93.10015 956.15716
365.0000 -98.75750 -92.96092 5.79658 2.65182 -91.85868 1061.97834
370.0000 -97.92046 -92.20967 5.71080 2.55732 -93.00046 998.61913
375.0000 -96.99083 -91.71660 5.27423 2.59171 -92.58496 976.84328
380.0000 -96.44455 -91.55624 4.88831 2.66745 -91.66988 1045.11475
385.0000 -98.84249 -92.09954 6.74295 2.60651 -92.40617 1042.62551
390.0000 -99.09972 -94.31823 4.78148 2.47135 -94.03925 922.24896
395.0000 -99.64435 -94.25353 5.39082 2.49035 -93.80967 933.29711
400.0000 -98.89929 -93.60291 5.29638 2.39803 -94.92512 884.25436
405.0000 -98.77946 -93.73601 5.04345 2.50836 -93.59205 961.60025
410.0000 -97.90574 -93.52455 4.38119 2.56439 -92.91512 998.85590
415.0000 -98.28670 -91.88900 6.39769 2.57472 -92.79028 1024.53181
420.0000 -99.53291 -92.37643 7.15648 2.57688 -92.76418 1013.67751
425.0000 -98.71017 -91.18407 7.52610 2.58311 -92.68888 999.02143
430.0000 -96.63220 -91.41420 5.21800 2.75252 -90.64199 1105.81920
435.0000 -98.35885 -93.22415 5.13470 2.66207 -91.73485 1078.56086
440.0000 -99.12666 -93.17849 5.94817 2.50728 -93.60511 941.41852
445.0000 -98.77465 -94.62674 4.14792 2.46662 -94.09644 951.42649
450.0000 -98.25894 -92.45484 5.80410 2.50065 -93.68526 953.94654
455.0000 -98.56254 -93.94315 4.61938 2.54788 -93.11455 971.23752
460.0000 -97.42967 -91.91713 5.51254 2.59937 -92.49239 977.85788
465.0000 -96.47143 -91.23571 5.23572 2.70441 -91.22320 1073.10400
470.0000 -96.72277 -90.58743 6.13534 2.75842 -90.57065 1160.38106
475.0000 -97.07595 -90.22105 6.85489 2.74356 -90.75022 1142.33803
480.0000 -98.14244 -91.92716 6.21528 2.62143 -92.22593 1030.69631
485.0000 -97.93651 -93.66668 4.26984 2.54663 -93.12967 993.73115
490.0000 -98.68030 -94.56571 4.11460 2.48100 -93.92268 936.04719
495.0000 -98.44678 -93.01884 5.42794 2.48844 -93.83277 943.74898
500.0000 -99.68185 -95.16281 4.51904 2.44847 -94.31567 906.79405
FREEZING PROCESS: loop number 3 T-loop= 990.00000000000000
main_MD> interactions number 3 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.27182 1.42870 3.28484
force_rgl> df(natom) 2.52122 3.67891 -0.62715
505.0000 -97.86793 -92.62572 5.24220 2.45894 -94.18928 924.24157
510.0000 -99.82231 -94.43252 5.38979 2.54084 -93.19962 985.02536
515.0000 -99.10821 -93.47076 5.63745 2.51590 -93.50093 974.65404
520.0000 -98.60318 -91.41195 7.19123 2.63631 -92.04604 1057.42328
525.0000 -97.49916 -92.46419 5.03498 2.58212 -92.70087 998.17364
530.0000 -98.49426 -92.38140 6.11286 2.61108 -92.35096 1025.13682
535.0000 -96.99350 -91.64232 5.35117 2.56396 -92.92032 1009.16624
540.0000 -98.75865 -91.99899 6.75966 2.64571 -91.93256 1042.54691
545.0000 -97.89028 -92.31633 5.57395 2.58188 -92.70378 996.18106
550.0000 -99.11187 -92.59943 6.51244 2.63813 -92.02414 1058.82913
555.0000 -97.94172 -92.82231 5.11941 2.58042 -92.72138 1035.57919
560.0000 -99.51536 -94.19988 5.31548 2.50383 -93.64687 932.99008
565.0000 -98.58929 -93.92307 4.66622 2.53303 -93.29399 957.59069
570.0000 -98.83524 -94.41453 4.42071 2.51174 -93.55130 984.52977
575.0000 -98.48319 -93.37756 5.10562 2.46553 -94.10954 879.21930
580.0000 -98.56245 -93.62750 4.93495 2.55443 -93.03539 976.40561
585.0000 -97.59185 -91.55680 6.03505 2.59713 -92.51949 1033.97374
590.0000 -98.99497 -94.59233 4.40264 2.47457 -94.00042 931.31925
595.0000 -100.13049 -94.97969 5.15081 2.38140 -95.12613 836.14257
600.0000 -99.87455 -94.48857 5.38598 2.43730 -94.45065 917.63639
605.0000 -99.97472 -94.60265 5.37208 2.43382 -94.49269 896.67418
610.0000 -97.33536 -91.90198 5.43338 2.54668 -93.12904 1002.30496
615.0000 -97.92149 -92.76200 5.15949 2.57669 -92.76644 1018.42725
620.0000 -98.60831 -92.96238 5.64593 2.57303 -92.81069 949.29369
625.0000 -96.64828 -91.04849 5.59979 2.58234 -92.69815 999.47280
630.0000 -98.42825 -92.17592 6.25233 2.70389 -91.22958 1110.20088
635.0000 -98.47440 -92.96138 5.51302 2.62861 -92.13917 1033.79074
640.0000 -98.67220 -93.51735 5.15485 2.56037 -92.96364 947.17519
645.0000 -98.36668 -92.25004 6.11664 2.56107 -92.95518 930.00922
650.0000 -95.85035 -90.74996 5.10040 2.63167 -92.10218 1036.58690
655.0000 -98.50580 -92.90346 5.60234 2.65890 -91.77318 1040.16996
660.0000 -97.29648 -91.13911 6.15736 2.64987 -91.88226 1074.37166
665.0000 -97.61754 -92.27437 5.34317 2.63827 -92.02239 1041.14389
670.0000 -98.31485 -92.15540 6.15945 2.57958 -92.73154 1014.73144
675.0000 -97.70021 -91.89802 5.80219 2.62950 -92.12844 1082.93042
680.0000 -98.39671 -93.63376 4.76295 2.53166 -93.31051 912.40804
685.0000 -98.09533 -92.45801 5.63733 2.52895 -93.34325 943.91456
690.0000 -97.71718 -91.81114 5.90604 2.62626 -92.16753 1057.16380
695.0000 -96.89680 -90.22442 6.67238 2.73718 -90.82733 1145.33237
700.0000 -95.53922 -89.06767 6.47155 2.84984 -89.46603 1201.99891
705.0000 -97.43506 -91.47931 5.95575 2.80040 -90.06341 1166.53271
710.0000 -98.28061 -93.27387 5.00675 2.60104 -92.47229 1008.64228
715.0000 -99.79721 -94.34839 5.44882 2.49329 -93.77413 930.51930
720.0000 -98.44259 -93.26716 5.17543 2.50339 -93.65212 968.95374
725.0000 -98.39988 -92.68151 5.71836 2.56268 -92.93574 982.13938
730.0000 -99.07368 -91.82918 7.24449 2.64611 -91.92770 1055.61657
735.0000 -97.61758 -93.01301 4.60457 2.58494 -92.66678 1005.52047
740.0000 -98.86160 -93.44132 5.42028 2.57263 -92.81549 1004.05462
745.0000 -97.78662 -92.21319 5.57344 2.54674 -93.12830 1008.10609
750.0000 -97.40699 -92.04742 5.35957 2.61591 -92.29264 1019.45535
FREEZING PROCESS: loop number 4 T-loop= 965.00000000000000
main_MD> interactions number 4 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89350 -2.32122 -1.23441
force_rgl> df(natom) 0.73732 1.73816 1.55319
755.0000 -97.38075 -92.08568 5.29508 2.63742 -92.03269 1048.91807
760.0000 -99.78918 -93.32319 6.46599 2.60878 -92.37872 1028.20630
765.0000 -98.70495 -92.75731 5.94764 2.57894 -92.73928 1042.04812
770.0000 -98.21981 -92.52619 5.69362 2.62824 -92.14359 1062.41801
775.0000 -98.65998 -92.35570 6.30428 2.56413 -92.91824 1015.78505
780.0000 -97.88122 -92.16933 5.71189 2.68400 -91.46990 1126.69211
785.0000 -98.33682 -93.96451 4.37231 2.54735 -93.12098 993.98153
790.0000 -98.28121 -93.41546 4.86574 2.54399 -93.16160 977.01643
795.0000 -97.45383 -92.13712 5.31670 2.53502 -93.26993 955.61406
800.0000 -97.60307 -92.39221 5.21086 2.60620 -92.40992 1033.71005
805.0000 -97.75341 -93.35434 4.39908 2.55782 -92.99452 959.43141
810.0000 -99.56231 -94.76655 4.79576 2.45249 -94.26718 846.10344
815.0000 -97.24940 -92.87527 4.37412 2.48799 -93.83818 895.49094
820.0000 -98.04320 -92.86604 5.17716 2.56924 -92.85653 1022.14623
825.0000 -97.39995 -91.59729 5.80266 2.61329 -92.32422 994.03031
830.0000 -98.06079 -92.94423 5.11656 2.57904 -92.73803 983.54994
835.0000 -98.44613 -93.42830 5.01784 2.62418 -92.19271 1037.67173
840.0000 -98.29836 -92.84271 5.45565 2.57278 -92.81370 1040.25812
845.0000 -99.42714 -94.64566 4.78147 2.59439 -92.55266 1035.43351
850.0000 -98.92142 -94.31920 4.60223 2.43179 -94.51732 853.80879
855.0000 -99.83093 -94.81432 5.01661 2.45555 -94.23020 859.82076
860.0000 -99.97311 -93.72069 6.25242 2.49652 -93.73513 949.11535
865.0000 -99.05326 -94.00274 5.05051 2.46833 -94.07573 956.12920
870.0000 -99.57646 -94.96330 4.61316 2.42066 -94.65171 892.48528
875.0000 -99.09463 -94.01700 5.07762 2.47311 -94.01802 930.75834
880.0000 -98.35932 -93.72789 4.63143 2.47088 -94.04490 901.33911
885.0000 -98.68935 -93.93743 4.75192 2.52218 -93.42516 949.90992
890.0000 -98.39734 -93.29645 5.10089 2.50977 -93.57507 982.26581
895.0000 -99.55898 -92.89957 6.65941 2.55025 -93.08599 970.08678
900.0000 -99.58251 -94.37389 5.20863 2.39691 -94.93876 842.97044
905.0000 -98.72229 -94.75956 3.96273 2.45939 -94.18375 906.36191
910.0000 -100.10795 -95.56543 4.54252 2.37790 -95.16841 840.57579
915.0000 -98.26576 -93.32132 4.94444 2.38322 -95.10415 848.03974
920.0000 -97.56498 -91.97135 5.59362 2.58777 -92.63255 982.22128
925.0000 -99.61662 -94.22747 5.38915 2.53271 -93.29787 996.49592
930.0000 -99.11742 -93.87300 5.24442 2.49855 -93.71059 939.66203
935.0000 -98.36054 -92.57907 5.78147 2.52546 -93.38553 947.59022
940.0000 -96.61951 -91.86472 4.75478 2.55964 -92.97249 999.01468
945.0000 -97.77540 -91.84663 5.92877 2.62588 -92.17207 1053.67589
950.0000 -97.10708 -92.71564 4.39144 2.63273 -92.08937 1060.80958
955.0000 -99.29808 -93.23466 6.06341 2.56126 -92.95295 955.39831
960.0000 -97.59651 -91.72839 5.86812 2.58437 -92.67365 1026.40292
965.0000 -99.56362 -94.11436 5.44927 2.58605 -92.65336 998.81560
970.0000 -98.25730 -92.37635 5.88095 2.56227 -92.94066 985.95188
975.0000 -97.65260 -91.36130 6.29130 2.58886 -92.61947 1016.76670
980.0000 -97.67745 -92.78330 4.89415 2.60869 -92.37978 1019.31880
985.0000 -99.19551 -94.45255 4.74296 2.58378 -92.68075 1043.64777
990.0000 -99.22757 -95.05719 4.17039 2.40726 -94.81368 859.52332
995.0000 -100.19596 -95.03799 5.15797 2.44024 -94.41518 911.79555
1000.0000 -99.02179 -94.07298 4.94881 2.39633 -94.94576 850.55454
FREEZING PROCESS: loop number 5 T-loop= 940.00000000000000
main_MD> interactions number 5 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.30890 2.30395 1.87200
force_rgl> df(natom) 0.33133 2.08889 -1.22769
1005.0000 -99.75925 -95.55357 4.20568 2.41800 -94.68391 875.33235
1010.0000 -98.14534 -92.81865 5.32669 2.54047 -93.20413 952.13378
1015.0000 -99.87696 -94.41929 5.45767 2.55946 -92.97470 1002.00609
1020.0000 -98.64161 -93.60919 5.03241 2.46560 -94.10870 905.03531
1025.0000 -98.08069 -92.69124 5.38944 2.49528 -93.75007 948.35512
1030.0000 -98.57814 -92.74274 5.83540 2.56019 -92.96582 980.89789
1035.0000 -98.40128 -93.96237 4.43891 2.51150 -93.55419 968.57252
1040.0000 -98.50802 -93.89195 4.61607 2.50613 -93.61904 960.39872
1045.0000 -99.64214 -94.53152 5.11063 2.39161 -95.00278 847.93673
1050.0000 -98.49470 -94.35263 4.14207 2.42294 -94.62415 897.14236
1055.0000 -100.17377 -96.09846 4.07531 2.40271 -94.86859 896.04551
1060.0000 -97.96500 -94.28716 3.67784 2.32415 -95.81782 813.03390
1065.0000 -98.90156 -93.02239 5.87917 2.53093 -93.31933 962.13812
1070.0000 -98.28968 -93.45207 4.83761 2.55241 -93.05989 1015.31730
1075.0000 -98.10946 -92.32774 5.78171 2.59471 -92.54876 1004.22587
1080.0000 -96.24673 -91.32465 4.92208 2.60788 -92.38962 1057.69698
1085.0000 -97.43568 -92.19684 5.23884 2.66481 -91.70170 1097.68207
1090.0000 -98.54877 -91.55592 6.99285 2.67684 -91.55644 1067.36553
1095.0000 -99.26703 -93.51521 5.75181 2.59786 -92.51065 975.13790
1100.0000 -98.47626 -93.34211 5.13415 2.49182 -93.79192 945.14336
1105.0000 -98.29247 -92.88294 5.40953 2.56233 -92.93996 1038.70094
1110.0000 -98.84396 -94.18682 4.65715 2.58565 -92.65820 1037.89408
1115.0000 -98.17359 -92.89475 5.27884 2.53730 -93.24237 943.00306
1120.0000 -98.27161 -93.94993 4.32169 2.53490 -93.27143 954.38932
1125.0000 -98.09286 -92.66898 5.42388 2.52155 -93.43269 1014.85649
1130.0000 -99.03160 -94.26433 4.76727 2.50975 -93.57529 975.74652
1135.0000 -98.82738 -93.31053 5.51685 2.48235 -93.90638 927.76846
1140.0000 -99.56186 -94.54267 5.01918 2.52093 -93.44024 907.00871
1145.0000 -99.62336 -94.96689 4.65647 2.42288 -94.62497 906.63989
1150.0000 -99.08404 -94.35835 4.72569 2.42858 -94.55599 879.59584
1155.0000 -99.68871 -95.35979 4.32892 2.40094 -94.89006 875.14297
1160.0000 -98.29440 -93.55468 4.73972 2.46063 -94.16882 915.62041
1165.0000 -98.98677 -93.47665 5.51012 2.49035 -93.80964 974.84804
1170.0000 -98.33182 -92.77064 5.56118 2.54861 -93.10570 960.54527
1175.0000 -99.59011 -94.75198 4.83813 2.42746 -94.56955 873.95377
1180.0000 -98.49212 -92.41840 6.07373 2.50853 -93.59005 978.44927
1185.0000 -97.41037 -92.30873 5.10164 2.63149 -92.10432 1024.40763
1190.0000 -97.54483 -91.59598 5.94885 2.66123 -91.74505 1070.39783
1195.0000 -98.23292 -92.81034 5.42258 2.61381 -92.31794 1054.88791
1200.0000 -99.11204 -93.84782 5.26422 2.58612 -92.65251 1031.54859
1205.0000 -96.57113 -92.11310 4.45803 2.54232 -93.18181 968.13949
1210.0000 -98.48289 -91.68046 6.80244 2.61489 -92.30493 982.35175
1215.0000 -97.71146 -92.50199 5.20947 2.59632 -92.52933 1002.00366
1220.0000 -98.92488 -93.53857 5.38632 2.56698 -92.88382 974.54829
1225.0000 -99.61877 -93.84001 5.77876 2.53616 -93.25619 985.28254
1230.0000 -98.73523 -93.56494 5.17029 2.54877 -93.10383 1037.70204
1235.0000 -100.01737 -94.14921 5.86817 2.48472 -93.87769 918.18732
1240.0000 -99.47273 -94.53259 4.94014 2.46056 -94.16968 906.20337
1245.0000 -100.63123 -95.63924 4.99199 2.40127 -94.88597 834.50357
1250.0000 -98.98886 -94.27306 4.71580 2.35496 -95.44553 875.96626
FREEZING PROCESS: loop number 6 T-loop= 915.00000000000000
main_MD> interactions number 6 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 9.21345 1.71798 -5.47414
force_rgl> df(natom) 2.70142 0.23576 0.84325
1255.0000 -98.34739 -93.58983 4.75756 2.51200 -93.54816 946.02732
1260.0000 -98.86116 -94.19440 4.66675 2.48891 -93.82709 933.90013
1265.0000 -99.21558 -94.53023 4.68535 2.45938 -94.18390 896.80391
1270.0000 -99.56227 -94.55775 5.00452 2.41467 -94.72416 862.97602
1275.0000 -99.36672 -94.55318 4.81354 2.46941 -94.06268 912.85443
1280.0000 -99.70796 -94.83320 4.87475 2.43749 -94.44838 916.86171
1285.0000 -100.32160 -95.36985 4.95174 2.36102 -95.37234 840.93368
1290.0000 -100.36718 -95.33826 5.02893 2.34204 -95.60169 835.31560
1295.0000 -98.88531 -94.62293 4.26238 2.40350 -94.85903 845.87818
1300.0000 -100.07605 -94.94042 5.13563 2.45692 -94.21360 896.63242
1305.0000 -98.69307 -94.40424 4.28883 2.38703 -95.05809 880.95890
1310.0000 -98.92022 -93.53518 5.38504 2.50525 -93.62962 960.59030
1315.0000 -97.85004 -93.68917 4.16087 2.47505 -93.99451 908.28010
1320.0000 -98.88474 -94.38615 4.49859 2.45490 -94.23799 917.59385
1325.0000 -98.43540 -94.62216 3.81324 2.43479 -94.48100 881.02725
1330.0000 -99.14671 -95.26375 3.88296 2.36656 -95.30544 839.69171
1335.0000 -100.46556 -93.69357 6.77199 2.42935 -94.54673 906.82059
1340.0000 -98.95112 -92.87987 6.07126 2.56154 -92.94951 959.00848
1345.0000 -99.02795 -94.86305 4.16489 2.46827 -94.07651 912.54677
1350.0000 -99.51274 -94.87714 4.63560 2.38851 -95.04015 856.69277
1355.0000 -99.68165 -95.19350 4.48815 2.39113 -95.00853 864.06202
1360.0000 -99.14554 -93.63378 5.51176 2.44674 -94.33659 923.40631
1365.0000 -99.10875 -94.57015 4.53861 2.44767 -94.32538 869.17942
1370.0000 -99.30942 -94.13399 5.17543 2.46426 -94.12492 876.85540
1375.0000 -98.17381 -94.02016 4.15364 2.49592 -93.74242 911.94325
1380.0000 -99.99390 -94.95856 5.03534 2.42066 -94.65175 859.99943
1385.0000 -101.47332 -96.43811 5.03521 2.31434 -95.93634 825.77460
1390.0000 -99.78329 -94.14200 5.64129 2.33055 -95.74051 775.64095
1395.0000 -100.22957 -94.68370 5.54587 2.47492 -93.99613 942.68149
1400.0000 -99.72603 -95.11807 4.60796 2.39843 -94.92029 894.53185
1405.0000 -100.11649 -95.52052 4.59597 2.40744 -94.81151 875.34129
1410.0000 -98.60108 -93.39091 5.21017 2.45869 -94.19220 933.14319
1415.0000 -99.62432 -94.66493 4.95939 2.45311 -94.25965 909.04823
1420.0000 -97.90419 -92.92072 4.98347 2.50118 -93.67880 952.65909
1425.0000 -100.18220 -95.47835 4.70385 2.46481 -94.11828 934.02924
1430.0000 -98.87731 -93.81660 5.06071 2.38356 -95.09997 855.99371
1435.0000 -99.25746 -94.19743 5.06003 2.46282 -94.14233 896.72668
1440.0000 -98.05310 -93.28885 4.76425 2.51094 -93.56089 922.99793
1445.0000 -99.75597 -95.07951 4.67646 2.44557 -94.35081 904.63419
1450.0000 -98.73172 -93.19569 5.53602 2.45964 -94.18070 917.16047
1455.0000 -98.91969 -93.46586 5.45384 2.50019 -93.69083 938.18758
1460.0000 -99.08602 -93.92019 5.16583 2.49510 -93.75231 927.52413
1465.0000 -98.16824 -93.61370 4.55454 2.50110 -93.67981 931.29881
1470.0000 -98.19468 -92.97266 5.22201 2.49451 -93.75943 966.44879
1475.0000 -98.59443 -93.17732 5.41711 2.52908 -93.34177 953.46922
1480.0000 -99.59462 -94.48317 5.11145 2.55723 -93.00164 948.06678
1485.0000 -98.02729 -93.49277 4.53452 2.45573 -94.22799 909.48516
1490.0000 -97.32393 -92.82918 4.49475 2.55107 -93.07598 975.97845
1495.0000 -99.38718 -94.67751 4.70967 2.50738 -93.60389 970.17910
1500.0000 -99.57371 -95.09522 4.47849 2.37490 -95.20469 821.73705
FREEZING PROCESS: loop number 7 T-loop= 890.00000000000000
main_MD> interactions number 7 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54110 -3.16512 -1.16967
force_rgl> df(natom) 0.76816 -0.02036 -1.34078
1505.0000 -98.84013 -94.11280 4.72733 2.43733 -94.45031 873.83617
1510.0000 -98.96787 -92.96235 6.00552 2.54690 -93.12641 955.38856
1515.0000 -100.85216 -96.62537 4.22680 2.33868 -95.64228 825.09169
1520.0000 -100.78074 -95.99108 4.78965 2.29672 -96.14933 804.38317
1525.0000 -100.46137 -95.89250 4.56888 2.25239 -96.68490 747.00209
1530.0000 -100.01968 -94.90551 5.11417 2.34278 -95.59276 807.22812
1535.0000 -99.90836 -94.31802 5.59034 2.40157 -94.88235 901.40503
1540.0000 -98.57956 -93.17155 5.40801 2.45928 -94.18510 924.94466
1545.0000 -98.09534 -93.28924 4.80610 2.47930 -93.94325 902.07854
1550.0000 -99.24407 -95.20238 4.04169 2.41422 -94.72950 852.14866
1555.0000 -98.38282 -93.93408 4.44874 2.42943 -94.54573 885.77457
1560.0000 -99.98635 -94.68052 5.30584 2.42623 -94.58442 896.84378
1565.0000 -99.32501 -94.66855 4.65646 2.42818 -94.56089 915.58375
1570.0000 -100.19679 -96.11669 4.08009 2.32520 -95.80518 821.42036
1575.0000 -100.89037 -97.14468 3.74569 2.31180 -95.96703 814.07762
1580.0000 -100.41213 -96.42164 3.99049 2.29774 -96.13690 787.65919
1585.0000 -100.09979 -95.58579 4.51401 2.30531 -96.04555 782.88443
1590.0000 -97.82322 -92.59645 5.22678 2.49218 -93.78758 919.74793
1595.0000 -98.62262 -93.65869 4.96393 2.55912 -92.97872 995.26271
1600.0000 -98.73506 -93.10865 5.62641 2.52498 -93.39129 934.81508
1605.0000 -98.07426 -92.98641 5.08785 2.52338 -93.41056 926.13058
1610.0000 -98.73674 -93.81868 4.91806 2.52838 -93.35019 962.80434
1615.0000 -97.75583 -92.41283 5.34300 2.56751 -92.87739 979.78040
1620.0000 -99.28109 -94.13056 5.15054 2.56218 -92.94184 940.28909
1625.0000 -100.03632 -95.35920 4.67712 2.41999 -94.65987 881.65374
1630.0000 -98.81080 -92.44918 6.36162 2.48556 -93.86759 951.29460
1635.0000 -99.49371 -94.02618 5.46752 2.52280 -93.41766 938.76961
1640.0000 -99.18187 -94.46319 4.71868 2.42650 -94.58121 902.63269
1645.0000 -100.46442 -94.90623 5.55819 2.47635 -93.97879 915.13095
1650.0000 -100.12153 -95.08672 5.03480 2.35131 -95.48973 789.37464
1655.0000 -99.88336 -94.09719 5.78618 2.40586 -94.83059 869.66777
1660.0000 -98.82487 -93.83345 4.99142 2.46450 -94.12208 906.75476
1665.0000 -98.78768 -95.24897 3.53871 2.46486 -94.11767 897.64151
1670.0000 -99.25092 -95.60046 3.65046 2.31269 -95.95629 798.52747
1675.0000 -97.59378 -93.27505 4.31872 2.46516 -94.11404 912.48257
1680.0000 -99.49782 -94.32170 5.17613 2.54011 -93.20851 992.90936
1685.0000 -97.70283 -92.48381 5.21902 2.58308 -92.68927 999.24534
1690.0000 -99.32061 -94.41990 4.90071 2.57917 -92.73656 1007.33818
1695.0000 -98.35117 -93.68419 4.66699 2.50859 -93.58929 922.19731
1700.0000 -99.06060 -94.92200 4.13860 2.44150 -94.39998 877.71228
1705.0000 -99.24842 -93.91438 5.33404 2.46760 -94.08455 935.92743
1710.0000 -99.30941 -93.93514 5.37426 2.50110 -93.67985 957.19559
1715.0000 -100.48265 -96.42046 4.06219 2.36156 -95.36585 832.85436
1720.0000 -99.38476 -95.06596 4.31880 2.26915 -96.48240 774.24907
1725.0000 -97.10436 -92.69437 4.40999 2.52884 -93.34468 929.30790
1730.0000 -98.03432 -92.01770 6.01662 2.55009 -93.08791 901.26268
1735.0000 -100.28137 -94.03370 6.24766 2.57161 -92.82781 1005.77465
1740.0000 -99.29690 -94.93093 4.36597 2.42163 -94.63997 871.80955
1745.0000 -100.23258 -94.33086 5.90172 2.44110 -94.40474 882.48522
1750.0000 -99.77870 -94.14072 5.63798 2.48683 -93.85221 942.37191
FREEZING PROCESS: loop number 8 T-loop= 865.00000000000000
main_MD> interactions number 8 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17084 -2.48217 -1.28790
force_rgl> df(natom) -1.66571 2.02880 1.64357
1755.0000 -98.89271 -94.33872 4.55399 2.38989 -95.02356 861.47823
1760.0000 -98.75144 -94.40556 4.34588 2.43603 -94.46602 894.85398
1765.0000 -99.71359 -94.57507 5.13851 2.40960 -94.78532 864.65990
1770.0000 -99.85205 -95.05341 4.79864 2.44283 -94.38388 911.60209
1775.0000 -99.03515 -94.12590 4.90924 2.42023 -94.65694 888.26542
1780.0000 -98.27599 -94.38541 3.89058 2.44609 -94.34448 884.54603
1785.0000 -97.98026 -93.66011 4.32015 2.47002 -94.05539 887.25003
1790.0000 -99.64620 -95.05409 4.59211 2.42312 -94.62199 877.42438
1795.0000 -99.95712 -95.01471 4.94242 2.41691 -94.69707 872.27297
1800.0000 -99.84587 -95.38764 4.45823 2.33893 -95.63929 803.82801
1805.0000 -99.68386 -94.58191 5.10195 2.39868 -94.91734 868.56340
1810.0000 -98.80049 -93.92609 4.87440 2.44824 -94.31854 906.16053
1815.0000 -99.52782 -94.99995 4.52787 2.42314 -94.62179 876.89419
1820.0000 -100.89337 -95.64929 5.24408 2.34658 -95.54679 847.97379
1825.0000 -99.44193 -93.98256 5.45937 2.45169 -94.27686 926.88466
1830.0000 -99.33582 -94.53789 4.79793 2.46019 -94.17414 910.11597
1835.0000 -99.27914 -93.08952 6.18962 2.50757 -93.60158 925.37539
1840.0000 -97.41381 -93.09334 4.32047 2.52973 -93.33390 945.88230
1845.0000 -98.20478 -93.01972 5.18506 2.54429 -93.15791 973.15650
1850.0000 -97.27785 -92.43724 4.84061 2.61025 -92.36097 967.26022
1855.0000 -99.41545 -93.92202 5.49342 2.56848 -92.86570 1024.58961
1860.0000 -99.78739 -95.39552 4.39186 2.45176 -94.27599 881.88116
1865.0000 -99.45594 -94.91417 4.54177 2.37942 -95.15004 821.67128
1870.0000 -100.08661 -94.49667 5.58994 2.42350 -94.61740 861.94355
1875.0000 -99.25980 -94.79919 4.46061 2.36268 -95.35235 845.92469
1880.0000 -100.15033 -95.46354 4.68679 2.40413 -94.85148 828.88800
1885.0000 -101.13149 -97.52045 3.61104 2.29840 -96.12903 737.24482
1890.0000 -100.53525 -96.07697 4.45828 2.24259 -96.80332 740.50382
1895.0000 -100.15953 -96.21280 3.94673 2.35786 -95.41055 808.01914
1900.0000 -99.58114 -95.65322 3.92792 2.33958 -95.63137 808.56655
1905.0000 -99.86219 -95.41727 4.44492 2.40216 -94.87529 892.09462
1910.0000 -99.61644 -95.15202 4.46443 2.38809 -95.04534 847.50360
1915.0000 -100.05424 -95.08187 4.97237 2.45511 -94.23546 936.86181
1920.0000 -99.70015 -95.20544 4.49471 2.36928 -95.27254 833.73269
1925.0000 -98.76033 -94.39835 4.36198 2.40015 -94.89962 868.52816
1930.0000 -98.91603 -93.88495 5.03108 2.44324 -94.37891 911.13042
1935.0000 -98.53708 -93.37263 5.16445 2.55620 -93.01406 989.54540
1940.0000 -98.99476 -94.38021 4.61456 2.45197 -94.27349 934.76519
1945.0000 -98.88942 -94.83489 4.05453 2.38434 -95.09057 828.98056
1950.0000 -99.86313 -95.93081 3.93231 2.36307 -95.34761 835.76744
1955.0000 -100.37840 -95.08191 5.29649 2.37480 -95.20580 840.03127
1960.0000 -99.30949 -94.14930 5.16019 2.44262 -94.38641 883.72987
1965.0000 -99.65138 -95.17030 4.48107 2.43872 -94.43358 872.16867
1970.0000 -99.60808 -95.65090 3.95718 2.34958 -95.51063 820.19438
1975.0000 -101.97949 -96.26778 5.71171 2.33628 -95.67126 819.86685
1980.0000 -98.79919 -93.71219 5.08700 2.40143 -94.88408 885.46128
1985.0000 -98.78522 -93.42065 5.36457 2.47476 -93.99801 941.63382
1990.0000 -99.91289 -95.29806 4.61483 2.48921 -93.82346 942.61549
1995.0000 -99.02774 -94.52867 4.49908 2.36972 -95.26727 855.98756
2000.0000 -99.59731 -94.76153 4.83578 2.42023 -94.65695 904.07081
FREEZING PROCESS: loop number 9 T-loop= 840.00000000000000
main_MD> interactions number 9 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46159 0.35503 -3.35010
force_rgl> df(natom) -0.67153 -4.84516 2.37526
2005.0000 -98.92223 -94.83751 4.08472 2.41230 -94.75275 861.41513
2010.0000 -100.62204 -96.70079 3.92125 2.33426 -95.69565 793.91131
2015.0000 -101.26509 -97.03215 4.23294 2.25619 -96.63902 722.48301
2020.0000 -98.84952 -94.05649 4.79304 2.31634 -95.91223 788.43522
2025.0000 -99.99084 -95.69067 4.30017 2.35387 -95.45872 800.24866
2030.0000 -99.31472 -95.25834 4.05637 2.34464 -95.57032 794.80291
2035.0000 -100.69226 -96.12522 4.56704 2.29950 -96.11568 790.03543
2040.0000 -99.02340 -93.56375 5.45964 2.37802 -95.16693 863.04377
2045.0000 -99.87723 -95.73996 4.13727 2.44327 -94.37857 918.89170
2050.0000 -99.00373 -94.16915 4.83458 2.41060 -94.77325 876.77943
2055.0000 -99.25902 -94.84268 4.41633 2.42744 -94.56984 899.10822
2060.0000 -99.97485 -94.83835 5.13650 2.42573 -94.59048 894.03587
2065.0000 -99.14528 -94.94990 4.19538 2.41146 -94.76287 895.58653
2070.0000 -99.78986 -95.72245 4.06741 2.36571 -95.31567 808.34824
2075.0000 -99.82192 -94.74179 5.08013 2.42330 -94.61986 885.02685
2080.0000 -100.23022 -95.25016 4.98006 2.36973 -95.26709 835.26074
2085.0000 -99.81419 -94.57334 5.24085 2.38944 -95.02892 858.44305
2090.0000 -100.42862 -95.14286 5.28577 2.43374 -94.49371 902.81578
2095.0000 -99.76558 -95.28519 4.48040 2.33637 -95.67023 837.43837
2100.0000 -99.35346 -95.66753 3.68593 2.33550 -95.68068 834.67868
2105.0000 -99.14747 -94.88541 4.26206 2.39797 -94.92585 844.24989
2110.0000 -98.98044 -94.05041 4.93003 2.44066 -94.41003 868.10942
2115.0000 -99.43304 -93.38151 6.05153 2.48415 -93.88466 961.50795
2120.0000 -100.34633 -94.63857 5.70776 2.50882 -93.58658 970.19272
2125.0000 -100.16082 -95.90836 4.25246 2.31171 -95.96811 787.85738
2130.0000 -99.45844 -95.52732 3.93112 2.32723 -95.78060 757.40914
2135.0000 -100.22990 -95.44094 4.78896 2.33312 -95.70941 815.76325
2140.0000 -100.36841 -95.89531 4.47310 2.31828 -95.88876 807.93728
2145.0000 -100.96618 -95.88694 5.07924 2.29345 -96.18879 763.47051
2150.0000 -100.15169 -95.99556 4.15613 2.34581 -95.55610 826.84095
2155.0000 -100.28764 -96.15912 4.12851 2.31501 -95.92834 799.23353
2160.0000 -99.60419 -94.87285 4.73134 2.31164 -95.96903 772.80487
2165.0000 -99.18374 -95.31865 3.86509 2.42878 -94.55360 815.62336
2170.0000 -100.22671 -94.92945 5.29726 2.42043 -94.65449 877.89175
2175.0000 -99.48720 -94.61579 4.87141 2.42236 -94.63118 903.99682
2180.0000 -100.35911 -95.81878 4.54033 2.40141 -94.88430 866.86409
2185.0000 -99.76211 -95.37367 4.38845 2.32272 -95.83511 811.36552
2190.0000 -99.35697 -94.84706 4.50992 2.35256 -95.47464 840.43547
2195.0000 -99.52683 -95.35516 4.17167 2.30184 -96.08740 777.98873
2200.0000 -100.90598 -96.91483 3.99115 2.23850 -96.85275 686.97499
2205.0000 -99.05920 -95.29498 3.76422 2.31996 -95.86846 768.68503
2210.0000 -99.30262 -95.76590 3.53672 2.37520 -95.20099 852.75896
2215.0000 -99.21199 -94.93413 4.27786 2.39727 -94.93430 877.09696
2220.0000 -99.27690 -94.93407 4.34283 2.38129 -95.12749 816.47359
2225.0000 -98.98264 -93.86386 5.11877 2.43108 -94.52581 915.46148
2230.0000 -98.25345 -93.80830 4.44515 2.48924 -93.82313 908.60424
2235.0000 -99.22818 -94.91622 4.31196 2.43572 -94.46972 894.52847
2240.0000 -98.98010 -94.74628 4.23382 2.43796 -94.44268 901.60861
2245.0000 -99.51810 -95.62155 3.89655 2.41529 -94.71657 869.34772
2250.0000 -100.79184 -96.89880 3.89304 2.28926 -96.23944 767.47975
FREEZING PROCESS: loop number 10 T-loop= 815.00000000000000
main_MD> interactions number 10 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.58225 0.66643 -0.22250
force_rgl> df(natom) -1.12508 0.40824 -1.71000
2255.0000 -99.67268 -94.48435 5.18833 2.28595 -96.27936 722.99063
2260.0000 -100.65639 -95.78724 4.86915 2.37521 -95.20088 818.93378
2265.0000 -99.89608 -96.00039 3.89569 2.34808 -95.52877 818.07846
2270.0000 -100.41884 -95.89145 4.52739 2.27328 -96.43245 777.04370
2275.0000 -100.82263 -96.61996 4.20267 2.28085 -96.34107 770.80279
2280.0000 -101.40211 -97.25408 4.14804 2.25782 -96.61934 749.80060
2285.0000 -100.93437 -96.94866 3.98572 2.25446 -96.65990 741.41375
2290.0000 -100.73069 -95.43204 5.29864 2.29972 -96.11308 792.25173
2295.0000 -99.83075 -96.12737 3.70337 2.34473 -95.56924 778.36218
2300.0000 -100.76682 -96.55052 4.21630 2.28183 -96.32921 760.90313
2305.0000 -101.12058 -96.91734 4.20324 2.24806 -96.73727 775.20807
2310.0000 -99.91058 -95.93395 3.97663 2.28839 -96.24989 765.79849
2315.0000 -100.90968 -97.11997 3.78971 2.31204 -95.96421 790.00582
2320.0000 -99.82777 -96.14015 3.68762 2.32056 -95.86125 790.27383
2325.0000 -100.11931 -96.70215 3.41716 2.31695 -95.90488 774.43510
2330.0000 -101.27272 -97.85849 3.41423 2.19574 -97.36939 698.89595
2335.0000 -100.67098 -96.34649 4.32448 2.22054 -97.06973 696.82389
2340.0000 -100.18463 -96.69195 3.49268 2.25910 -96.60379 737.93884
2345.0000 -99.67794 -95.96570 3.71224 2.22514 -97.01412 716.29839
2350.0000 -100.81227 -95.71895 5.09331 2.37147 -95.24608 852.35816
2355.0000 -100.59852 -96.96692 3.63160 2.29061 -96.22307 787.71252
2360.0000 -101.48309 -97.56279 3.92030 2.24829 -96.73449 736.91457
2365.0000 -100.91389 -96.62575 4.28815 2.25405 -96.66481 748.65948
2370.0000 -100.41718 -95.53443 4.88275 2.28471 -96.29442 796.50275
2375.0000 -99.55670 -94.70327 4.85342 2.33219 -95.72071 768.03382
2380.0000 -99.93443 -95.44170 4.49273 2.41591 -94.70908 889.41499
2385.0000 -100.59885 -96.70053 3.89831 2.36848 -95.28219 868.64756
2390.0000 -100.03253 -95.70875 4.32378 2.32925 -95.75626 830.42519
2395.0000 -99.94418 -94.63430 5.30988 2.35087 -95.49499 861.79142
2400.0000 -99.04139 -93.35010 5.69130 2.48020 -93.93238 920.99868
2405.0000 -100.50532 -95.52964 4.97569 2.42047 -94.65402 877.82922
2410.0000 -99.79949 -94.24504 5.55445 2.34533 -95.56194 806.13594
2415.0000 -97.91465 -92.60386 5.31079 2.51335 -93.53179 953.44409
2420.0000 -98.24760 -93.07101 5.17659 2.51854 -93.46904 966.03248
2425.0000 -98.95714 -93.89834 5.05880 2.46140 -94.15951 886.10634
2430.0000 -99.78520 -94.83196 4.95324 2.44090 -94.40714 924.89552
2435.0000 -102.16769 -97.26069 4.90700 2.30514 -96.04759 776.98143
2440.0000 -101.46962 -97.80063 3.66899 2.24134 -96.81838 735.12294
2445.0000 -101.08861 -96.37375 4.71487 2.19219 -97.41226 704.94360
2450.0000 -100.80075 -96.38745 4.41330 2.23600 -96.88291 723.31229
2455.0000 -99.05926 -94.97245 4.08681 2.35230 -95.47773 839.52939
2460.0000 -100.75650 -95.42058 5.33592 2.36176 -95.36344 851.73694
2465.0000 -100.96724 -96.58155 4.38569 2.29990 -96.11091 761.51989
2470.0000 -99.99434 -95.82394 4.17040 2.27168 -96.45181 763.05077
2475.0000 -100.38350 -95.78943 4.59407 2.36519 -95.32201 821.59099
2480.0000 -99.36056 -94.65775 4.70281 2.31697 -95.90456 793.41012
2485.0000 -99.02989 -93.83941 5.19048 2.47295 -94.01990 910.43284
2490.0000 -98.21360 -94.62273 3.59087 2.44741 -94.32852 895.11412
2495.0000 -99.63605 -94.33911 5.29694 2.37758 -95.17229 824.96904
2500.0000 -98.33877 -93.78491 4.55386 2.40579 -94.83136 828.29755
FREEZING PROCESS: loop number 11 T-loop= 790.00000000000000
main_MD> interactions number 11 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.26683 -0.52416 -1.39910
force_rgl> df(natom) -1.90531 -0.07701 -1.64690
2505.0000 -100.43859 -96.07595 4.36264 2.43241 -94.50972 884.20360
2510.0000 -100.34125 -95.63565 4.70560 2.32091 -95.85702 772.35689
2515.0000 -99.59001 -94.99784 4.59217 2.32527 -95.80426 803.12266
2520.0000 -98.91132 -94.91468 3.99664 2.39038 -95.01758 841.94592
2525.0000 -99.13820 -95.44735 3.69085 2.40384 -94.85494 884.42190
2530.0000 -100.48733 -96.78106 3.70627 2.28769 -96.25840 750.05855
2535.0000 -99.73562 -95.88880 3.84682 2.25242 -96.68457 708.54581
2540.0000 -99.45043 -94.80143 4.64900 2.38829 -95.04288 820.71135
2545.0000 -99.36183 -94.26852 5.09332 2.38415 -95.09284 858.97864
2550.0000 -100.01935 -95.96434 4.05502 2.38619 -95.06819 822.57717
2555.0000 -98.69634 -95.12947 3.56687 2.37429 -95.21208 831.98754
2560.0000 -102.39700 -98.04980 4.34720 2.28026 -96.34818 756.86913
2565.0000 -100.16181 -96.74459 3.41722 2.20986 -97.19877 688.42098
2570.0000 -100.95611 -96.00571 4.95040 2.28112 -96.33778 782.00444
2575.0000 -100.51781 -96.10176 4.41605 2.31461 -95.93317 788.10980
2580.0000 -100.60765 -96.38186 4.22580 2.27210 -96.44678 767.01793
2585.0000 -99.42338 -94.78731 4.63607 2.29950 -96.11566 789.40504
2590.0000 -100.36044 -95.18920 5.17124 2.38520 -95.08024 835.67125
2595.0000 -98.84631 -94.30177 4.54454 2.41821 -94.68134 879.07498
2600.0000 -100.39578 -96.44528 3.95050 2.32009 -95.86694 816.09389
2605.0000 -100.08234 -95.90950 4.17284 2.30956 -95.99411 814.58443
2610.0000 -100.98843 -95.83076 5.15767 2.30242 -96.08038 786.13901
2615.0000 -101.36590 -97.11275 4.25314 2.26976 -96.47505 764.68785
2620.0000 -99.37805 -94.98095 4.39710 2.29506 -96.16928 774.44561
2625.0000 -101.11962 -95.96562 5.15400 2.35236 -95.47696 820.97991
2630.0000 -100.52881 -96.72765 3.80116 2.28804 -96.25415 788.14783
2635.0000 -99.81790 -95.29767 4.52024 2.32016 -95.86607 778.55596
2640.0000 -99.69466 -95.70643 3.98822 2.33806 -95.64980 819.80594
2645.0000 -100.08861 -96.04998 4.03863 2.27066 -96.46420 770.88393
2650.0000 -100.00342 -95.54153 4.46189 2.33952 -95.63212 801.02025
2655.0000 -100.27791 -95.45156 4.82634 2.33542 -95.68163 833.62409
2660.0000 -99.47295 -94.02658 5.44637 2.38097 -95.13133 837.69693
2665.0000 -98.38349 -94.09413 4.28936 2.44151 -94.39984 929.82240
2670.0000 -99.77617 -95.45799 4.31818 2.41545 -94.71471 897.00953
2675.0000 -99.19106 -95.33762 3.85344 2.37589 -95.19267 833.87357
2680.0000 -100.39031 -96.34931 4.04100 2.34027 -95.62303 801.48399
2685.0000 -100.47308 -95.12138 5.35171 2.37219 -95.23739 855.28227
2690.0000 -99.91752 -95.64832 4.26920 2.34626 -95.55067 813.53622
2695.0000 -100.08958 -96.14172 3.94786 2.35749 -95.41503 828.95250
2700.0000 -100.76256 -96.50513 4.25743 2.26960 -96.47701 786.90733
2705.0000 -100.63962 -95.69267 4.94695 2.30248 -96.07967 774.07845
2710.0000 -99.78055 -95.10827 4.67228 2.35076 -95.49638 828.10238
2715.0000 -99.79677 -94.64580 5.15097 2.38946 -95.02874 862.41360
2720.0000 -99.73706 -94.95063 4.78644 2.40400 -94.85306 887.58802
2725.0000 -99.91125 -95.73441 4.17684 2.34069 -95.61800 832.88736
2730.0000 -100.39995 -95.53026 4.86969 2.32406 -95.81894 796.80704
2735.0000 -99.45519 -95.30516 4.15003 2.35983 -95.38676 795.28142
2740.0000 -101.05326 -96.78175 4.27151 2.29976 -96.11255 743.88056
2745.0000 -100.94377 -97.07149 3.87228 2.22260 -97.04488 705.82639
2750.0000 -100.76678 -97.32405 3.44274 2.24771 -96.74148 754.53164
FREEZING PROCESS: loop number 12 T-loop= 765.00000000000000
main_MD> interactions number 12 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76907 -1.96444 1.50546
force_rgl> df(natom) 2.12702 -0.99015 0.67607
2755.0000 -101.39406 -97.58529 3.80878 2.17488 -97.62149 672.39730
2760.0000 -102.12239 -98.10389 4.01850 2.20316 -97.27972 700.87308
2765.0000 -101.36476 -97.03195 4.33281 2.16170 -97.78074 703.60010
2770.0000 -100.38764 -96.86658 3.52106 2.17394 -97.63280 707.93537
2775.0000 -100.14438 -96.57377 3.57061 2.26749 -96.50250 768.90497
2780.0000 -101.34527 -97.72565 3.61963 2.23325 -96.91617 728.82808
2785.0000 -100.81929 -96.81013 4.00916 2.20438 -97.26505 711.14321
2790.0000 -101.01346 -96.77329 4.24017 2.27235 -96.44370 778.28457
2795.0000 -100.64814 -97.04862 3.59952 2.22355 -97.03343 725.64752
2800.0000 -101.00094 -97.59517 3.40577 2.17561 -97.61257 676.84558
2805.0000 -101.15334 -97.63162 3.52172 2.19072 -97.43001 705.17066
2810.0000 -100.59379 -96.17976 4.41403 2.25346 -96.67195 761.81778
2815.0000 -101.15541 -97.87786 3.27755 2.25702 -96.62898 726.38176
2820.0000 -101.06880 -97.34491 3.72389 2.24415 -96.78449 756.40478
2825.0000 -100.59915 -96.39529 4.20385 2.20581 -97.24777 698.04095
2830.0000 -102.07366 -97.40156 4.67210 2.19582 -97.36848 728.68311
2835.0000 -100.27839 -95.45329 4.82510 2.23638 -96.87841 752.20721
2840.0000 -99.84601 -96.13769 3.70832 2.32209 -95.84278 796.18010
2845.0000 -100.32212 -95.80306 4.51905 2.34467 -95.56993 822.85136
2850.0000 -100.83786 -96.62822 4.20964 2.24777 -96.74079 744.75340
2855.0000 -100.49021 -96.39297 4.09724 2.25874 -96.60813 775.76255
2860.0000 -100.60904 -96.17237 4.43667 2.32688 -95.78490 809.12207
2865.0000 -100.94399 -96.49319 4.45080 2.31558 -95.92135 803.28229
2870.0000 -101.23953 -96.78483 4.45470 2.30427 -96.05806 770.46463
2875.0000 -100.96359 -97.29814 3.66544 2.20710 -97.23218 703.56201
2880.0000 -100.79771 -96.64352 4.15419 2.22351 -97.03383 714.12698
2885.0000 -100.68602 -96.95211 3.73392 2.28503 -96.29059 749.83619
2890.0000 -101.31781 -97.04273 4.27508 2.23462 -96.89964 732.50635
2895.0000 -100.76439 -97.06559 3.69880 2.17934 -97.56756 687.03438
2900.0000 -102.02984 -97.53419 4.49565 2.21485 -97.13849 668.48345
2905.0000 -101.22234 -96.35526 4.86708 2.19377 -97.39321 693.86227
2910.0000 -101.15545 -97.25463 3.90082 2.28787 -96.25623 797.26836
2915.0000 -101.00030 -97.48143 3.51887 2.21399 -97.14893 718.89894
2920.0000 -100.87356 -96.46637 4.40718 2.21976 -97.07917 700.74566
2925.0000 -100.71161 -95.79301 4.91860 2.27538 -96.40708 789.54704
2930.0000 -99.22072 -94.58781 4.63291 2.37780 -95.16961 807.47571
2935.0000 -100.09033 -96.44582 3.64451 2.30769 -96.01674 793.85878
2940.0000 -99.59074 -95.35682 4.23392 2.37057 -95.25694 829.72556
2945.0000 -100.89056 -96.70581 4.18475 2.30006 -96.10895 763.83482
2950.0000 -101.21789 -96.72980 4.48808 2.23844 -96.85347 722.90253
2955.0000 -99.30020 -96.04355 3.25666 2.31724 -95.90137 826.54285
2960.0000 -100.10927 -97.12638 2.98290 2.30468 -96.05305 786.66744
2965.0000 -100.78992 -96.52582 4.26410 2.22734 -96.98764 712.37958
2970.0000 -100.81012 -96.00498 4.80515 2.31573 -95.91953 809.75386
2975.0000 -100.01241 -95.69675 4.31565 2.31557 -95.92155 792.13046
2980.0000 -100.10867 -95.67233 4.43634 2.34973 -95.50881 809.91257
2985.0000 -99.25999 -94.86285 4.39714 2.39053 -95.01579 857.50656
2990.0000 -99.51899 -95.91667 3.60232 2.33482 -95.68896 816.49607
2995.0000 -100.17184 -95.32620 4.84564 2.34100 -95.61423 809.09713
3000.0000 -100.43716 -96.51374 3.92342 2.33094 -95.73581 799.21201
FREEZING PROCESS: loop number 13 T-loop= 740.00000000000000
main_MD> interactions number 13 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.82618 -0.11237 5.28678
force_rgl> df(natom) -0.23870 1.52677 2.13826
3005.0000 -100.43292 -96.60943 3.82349 2.23335 -96.91497 733.04557
3010.0000 -101.69905 -97.88525 3.81379 2.19394 -97.39110 685.29408
3015.0000 -100.94161 -97.28226 3.65935 2.18345 -97.51794 715.09866
3020.0000 -100.95395 -97.56698 3.38697 2.19901 -97.32988 721.45849
3025.0000 -101.84924 -97.95008 3.89916 2.18211 -97.53413 682.00220
3030.0000 -101.27010 -97.98108 3.28902 2.16264 -97.76930 687.88112
3035.0000 -100.81517 -96.50997 4.30519 2.17741 -97.59083 668.68179
3040.0000 -100.78814 -96.29926 4.48888 2.27895 -96.36398 792.50820
3045.0000 -100.03724 -96.44450 3.59274 2.26077 -96.58367 741.31714
3050.0000 -100.47283 -97.32157 3.15127 2.25536 -96.64904 753.49378
3055.0000 -101.80163 -96.76556 5.03606 2.23840 -96.85392 738.84100
3060.0000 -100.64724 -97.37068 3.27656 2.22196 -97.05256 747.28406
3065.0000 -101.27850 -97.14505 4.13346 2.21788 -97.10192 708.48341
3070.0000 -101.42161 -97.43678 3.98482 2.22363 -97.03244 728.02409
3075.0000 -100.43143 -96.74388 3.68755 2.20499 -97.25758 709.13133
3080.0000 -101.21900 -97.20096 4.01804 2.23984 -96.83653 723.73346
3085.0000 -101.02379 -97.04350 3.98029 2.18575 -97.49009 730.78444
3090.0000 -102.03322 -97.91268 4.12054 2.17512 -97.61855 660.17359
3095.0000 -101.35169 -97.96553 3.38615 2.12142 -98.26739 628.44160
3100.0000 -100.83327 -97.39091 3.44237 2.16106 -97.78840 638.91900
3105.0000 -100.33404 -96.27034 4.06369 2.25696 -96.62968 738.92147
3110.0000 -100.69281 -96.89677 3.79604 2.26243 -96.56355 739.52726
3115.0000 -100.27824 -96.26964 4.00860 2.25577 -96.64408 778.04939
3120.0000 -100.49982 -95.97619 4.52364 2.27721 -96.38505 765.33071
3125.0000 -99.95510 -95.26629 4.68880 2.33656 -95.66795 802.66417
3130.0000 -100.24604 -96.13858 4.10746 2.29220 -96.20385 774.16167
3135.0000 -100.04841 -96.34654 3.70188 2.32884 -95.76124 790.28083
3140.0000 -101.67226 -98.48715 3.18511 2.19772 -97.34550 716.80346
3145.0000 -101.51972 -97.25961 4.26011 2.16384 -97.75483 714.73307
3150.0000 -101.51188 -97.92618 3.58570 2.22165 -97.05637 734.23442
3155.0000 -101.71354 -98.48878 3.22475 2.14053 -98.03645 635.83106
3160.0000 -101.86045 -98.33170 3.52875 2.10674 -98.44474 629.58382
3165.0000 -102.11535 -98.51630 3.59906 2.12651 -98.20592 649.53864
3170.0000 -100.64190 -97.06893 3.57297 2.13625 -98.08823 627.21724
3175.0000 -100.77493 -97.26447 3.51047 2.23677 -96.87365 693.23956
3180.0000 -100.38958 -96.47474 3.91483 2.23780 -96.86123 702.67477
3185.0000 -101.77160 -97.28639 4.48522 2.26144 -96.57556 785.40784
3190.0000 -101.01796 -96.44085 4.57710 2.19219 -97.41228 713.68769
3195.0000 -100.52859 -97.44997 3.07862 2.23082 -96.94548 708.16224
3200.0000 -101.29612 -97.50854 3.78758 2.24301 -96.79822 728.90603
3205.0000 -100.75005 -96.70627 4.04378 2.26262 -96.56128 746.96669
3210.0000 -100.66330 -96.44523 4.21807 2.21895 -97.08898 673.61827
3215.0000 -100.34915 -96.28932 4.05983 2.24400 -96.78629 762.73628
3220.0000 -100.58795 -97.26997 3.31798 2.23347 -96.91353 726.49240
3225.0000 -100.62242 -96.63734 3.98508 2.22967 -96.95944 724.22788
3230.0000 -100.88803 -97.40054 3.48749 2.21718 -97.11028 696.86145
3235.0000 -100.94309 -97.75505 3.18804 2.18979 -97.44131 686.54368
3240.0000 -100.58939 -96.46056 4.12883 2.24698 -96.75031 754.24539
3245.0000 -101.32375 -96.80884 4.51491 2.25487 -96.65500 770.66031
3250.0000 -102.04528 -97.71524 4.33004 2.21538 -97.13208 728.51707
FREEZING PROCESS: loop number 14 T-loop= 715.00000000000000
main_MD> interactions number 14 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01487 -1.46957 3.43863
force_rgl> df(natom) 0.62367 -0.27624 0.69278
3255.0000 -99.70035 -95.72761 3.97274 2.21287 -97.16247 726.96371
3260.0000 -101.24455 -96.70914 4.53542 2.29960 -96.11452 785.33051
3265.0000 -101.07414 -97.39202 3.68212 2.23639 -96.87821 705.36429
3270.0000 -101.26947 -97.98588 3.28360 2.13754 -98.07262 663.17255
3275.0000 -100.93228 -97.90839 3.02390 2.18627 -97.48386 672.89564
3280.0000 -101.37125 -97.19292 4.17833 2.17163 -97.66067 687.63358
3285.0000 -100.81101 -96.78894 4.02207 2.19433 -97.38645 738.03152
3290.0000 -102.17546 -98.02354 4.15192 2.17162 -97.66079 687.96981
3295.0000 -101.52559 -97.44946 4.07614 2.16308 -97.76401 691.44361
3300.0000 -100.11463 -96.64263 3.47199 2.22300 -97.04002 722.93577
3305.0000 -100.59661 -96.15017 4.44644 2.28257 -96.32028 766.83311
3310.0000 -99.84606 -95.54307 4.30299 2.34529 -95.56238 809.39340
3315.0000 -100.88893 -96.20285 4.68609 2.32746 -95.77789 762.21167
3320.0000 -99.83336 -95.54910 4.28426 2.28407 -96.30213 738.97391
3325.0000 -99.88390 -96.35008 3.53382 2.29586 -96.15972 775.20914
3330.0000 -101.75475 -96.78403 4.97072 2.26752 -96.50215 750.28440
3335.0000 -101.73383 -98.07029 3.66354 2.17292 -97.64513 676.99396
3340.0000 -100.47798 -97.25909 3.21889 2.20389 -97.27094 719.46836
3345.0000 -100.09949 -96.50059 3.59890 2.23108 -96.94244 721.50427
3350.0000 -101.62929 -97.31340 4.31588 2.25410 -96.66426 727.95656
3355.0000 -100.73612 -97.35042 3.38570 2.22255 -97.04550 734.95432
3360.0000 -100.22336 -95.65891 4.56444 2.26919 -96.48188 770.38450
3365.0000 -101.37300 -96.62529 4.74771 2.30618 -96.03495 799.98860
3370.0000 -101.36068 -97.61957 3.74112 2.22533 -97.01185 725.69683
3375.0000 -101.39780 -97.25534 4.14246 2.16343 -97.75978 684.21529
3380.0000 -101.43371 -98.22367 3.21003 2.13709 -98.07800 669.77545
3385.0000 -101.28892 -98.44593 2.84299 2.11843 -98.30354 626.87002
3390.0000 -99.81165 -96.03266 3.77899 2.18986 -97.44050 680.40222
3395.0000 -100.66342 -96.75883 3.90459 2.24099 -96.82260 749.12021
3400.0000 -102.38054 -98.10858 4.27196 2.21194 -97.17364 766.39690
3405.0000 -102.43914 -98.36529 4.07385 2.13199 -98.13968 677.78755
3410.0000 -102.66952 -99.22243 3.44708 2.10948 -98.41169 658.82463
3415.0000 -101.12093 -97.65593 3.46500 2.10079 -98.51670 634.38185
3420.0000 -101.10785 -96.82035 4.28750 2.19558 -97.37134 706.12329
3425.0000 -101.16688 -97.87899 3.28789 2.15973 -97.80455 669.46068
3430.0000 -102.34265 -98.34968 3.99297 2.15231 -97.89415 665.62856
3435.0000 -102.34654 -98.88226 3.46428 2.08625 -98.69237 640.52274
3440.0000 -101.31326 -97.98133 3.33193 2.07653 -98.80973 607.70307
3445.0000 -102.34870 -98.11181 4.23689 2.17730 -97.59223 720.47180
3450.0000 -101.46307 -98.07046 3.39261 2.13139 -98.14691 685.92914
3455.0000 -102.71926 -98.26438 4.45488 2.12949 -98.16990 662.43172
3460.0000 -100.82402 -97.93434 2.88969 2.14662 -97.96291 680.18169
3465.0000 -102.33126 -99.15503 3.17624 2.11167 -98.38525 655.12202
3470.0000 -101.96883 -98.97544 2.99339 2.04194 -99.22775 621.99836
3475.0000 -102.91338 -99.07253 3.84085 2.05551 -99.06378 640.20272
3480.0000 -100.60858 -97.14965 3.45893 2.07611 -98.81483 621.73652
3485.0000 -100.71811 -97.18036 3.53775 2.24741 -96.74509 734.04840
3490.0000 -100.98004 -97.11291 3.86713 2.17607 -97.60708 709.67120
3495.0000 -101.39433 -98.22492 3.16941 2.19281 -97.40477 688.51813
3500.0000 -101.23062 -98.06610 3.16452 2.15605 -97.84892 662.62816
FREEZING PROCESS: loop number 15 T-loop= 690.00000000000000
main_MD> interactions number 15 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.96681 2.24052 3.96655
force_rgl> df(natom) -1.32206 1.90871 -1.75138
3505.0000 -100.89373 -97.09355 3.80017 2.17692 -97.59678 700.14850
3510.0000 -102.33489 -96.96478 5.37011 2.20041 -97.31301 729.20311
3515.0000 -101.81334 -97.14782 4.66552 2.25358 -96.67047 746.23737
3520.0000 -102.16347 -97.94510 4.21837 2.19731 -97.35046 664.70632
3525.0000 -102.57694 -99.06195 3.51500 2.10604 -98.45319 613.29919
3530.0000 -101.25389 -97.78459 3.46930 2.13588 -98.09265 654.48401
3535.0000 -99.86417 -96.04584 3.81833 2.22233 -97.04811 727.98645
3540.0000 -100.68383 -96.41671 4.26712 2.27216 -96.44608 758.39966
3545.0000 -102.01275 -98.34999 3.66276 2.19402 -97.39014 740.04397
3550.0000 -101.31255 -98.31101 3.00154 2.10323 -98.48718 616.50675
3555.0000 -101.45536 -97.63192 3.82344 2.17574 -97.61104 698.61844
3560.0000 -100.57589 -96.90906 3.66682 2.20269 -97.28539 685.49770
3565.0000 -101.66846 -97.18986 4.47860 2.22604 -97.00329 720.10637
3570.0000 -101.65226 -98.40876 3.24350 2.15286 -97.88746 671.68917
3575.0000 -102.00974 -98.44137 3.56837 2.13457 -98.10851 670.99037
3580.0000 -101.34954 -97.24165 4.10789 2.10600 -98.45366 623.16503
3585.0000 -101.73773 -97.50133 4.23639 2.13566 -98.09537 631.65546
3590.0000 -101.39583 -97.51114 3.88469 2.22031 -97.07257 730.38604
3595.0000 -100.16136 -96.50340 3.65797 2.24252 -96.80421 720.00139
3600.0000 -101.33247 -97.36064 3.97183 2.21262 -97.16540 713.36012
3605.0000 -102.16357 -97.98868 4.17489 2.18804 -97.46244 699.85215
3610.0000 -101.62232 -97.09402 4.52830 2.17878 -97.57436 680.98957
3615.0000 -101.31359 -97.90957 3.40402 2.16537 -97.73630 668.63340
3620.0000 -100.47552 -96.41556 4.05995 2.22081 -97.06647 731.72211
3625.0000 -101.45592 -97.03807 4.41786 2.23951 -96.84051 734.75182
3630.0000 -99.71412 -96.76033 2.95379 2.22231 -97.04836 735.99835
3635.0000 -101.63243 -98.51830 3.11412 2.15886 -97.81503 663.34020
3640.0000 -101.46575 -97.83283 3.63292 2.13575 -98.09424 657.57885
3645.0000 -102.64208 -99.34520 3.29688 2.08633 -98.69143 624.01332
3650.0000 -101.39512 -98.74844 2.64667 2.07057 -98.88182 609.02590
3655.0000 -102.09287 -98.61144 3.48143 2.08231 -98.74000 612.34819
3660.0000 -102.10726 -98.99596 3.11129 2.12026 -98.28145 673.08851
3665.0000 -101.56181 -97.98634 3.57547 2.10901 -98.41739 629.91200
3670.0000 -101.44863 -97.25126 4.19737 2.16218 -97.77494 683.70255
3675.0000 -100.79544 -97.18402 3.61142 2.21228 -97.16954 704.37630
3680.0000 -102.06725 -98.64930 3.41795 2.11204 -98.38077 629.23071
3685.0000 -100.95870 -98.03512 2.92358 2.11829 -98.30524 622.05528
3690.0000 -100.60497 -96.41546 4.18951 2.24681 -96.75235 773.93751
3695.0000 -101.27121 -97.47760 3.79361 2.24449 -96.78036 722.89701
3700.0000 -101.85864 -96.59637 5.26227 2.20630 -97.24182 696.14119
3705.0000 -101.82655 -97.72093 4.10562 2.17730 -97.59216 682.51889
3710.0000 -101.35774 -97.51116 3.84658 2.21502 -97.13640 698.75216
3715.0000 -101.94847 -98.15452 3.79395 2.17708 -97.59483 684.89926
3720.0000 -101.71998 -98.26287 3.45711 2.17537 -97.61557 703.54074
3725.0000 -101.74502 -98.18598 3.55904 2.11468 -98.34887 665.84226
3730.0000 -101.38249 -96.88658 4.49590 2.20751 -97.22719 723.06236
3735.0000 -101.11086 -96.92288 4.18798 2.22590 -97.00504 726.55078
3740.0000 -100.17373 -95.63345 4.54028 2.28091 -96.34032 772.02611
3745.0000 -100.77576 -96.68021 4.09554 2.30909 -95.99976 774.49296
3750.0000 -102.34841 -98.48291 3.86550 2.19108 -97.42567 683.25252
FREEZING PROCESS: loop number 16 T-loop= 665.00000000000000
main_MD> interactions number 16 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90593 1.10112 -2.25165
force_rgl> df(natom) -1.60390 1.83168 -1.86813
3755.0000 -102.37638 -99.00835 3.36803 2.06442 -98.95610 562.34475
3760.0000 -102.40000 -98.98139 3.41861 2.09956 -98.53156 597.28457
3765.0000 -101.79229 -99.08236 2.70993 2.07734 -98.79998 572.00408
3770.0000 -102.20715 -98.56963 3.63752 2.08143 -98.75055 615.49668
3775.0000 -102.02610 -98.97745 3.04865 2.08262 -98.73615 612.23969
3780.0000 -101.98128 -98.18386 3.79743 2.05877 -99.02437 587.87231
3785.0000 -101.50435 -97.94783 3.55652 2.12158 -98.26546 641.10919
3790.0000 -101.98837 -98.27171 3.71666 2.15161 -97.90264 652.38300
3795.0000 -100.94598 -97.82005 3.12593 2.14555 -97.97582 638.26359
3800.0000 -101.92995 -98.49860 3.43135 2.13763 -98.07148 649.40547
3805.0000 -101.71223 -98.28505 3.42719 2.09834 -98.54624 619.11720
3810.0000 -101.10152 -97.41978 3.68174 2.14585 -97.97225 656.68490
3815.0000 -100.96814 -97.12868 3.83945 2.17998 -97.55982 654.42819
3820.0000 -101.89610 -96.33452 5.56158 2.17058 -97.67339 638.89938
3825.0000 -101.32809 -97.97256 3.35553 2.19773 -97.34531 666.43968
3830.0000 -101.86280 -97.37214 4.49065 2.17239 -97.65151 700.93432
3835.0000 -102.76083 -99.74124 3.01959 2.12923 -98.17298 659.57290
3840.0000 -101.58725 -98.00758 3.57967 2.08252 -98.73745 621.70705
3845.0000 -101.66451 -97.95236 3.71215 2.09983 -98.52831 640.07890
3850.0000 -102.68025 -99.23123 3.44902 2.08088 -98.75722 611.02674
3855.0000 -101.92932 -98.68036 3.24896 2.04902 -99.14219 572.06412
3860.0000 -100.72989 -97.91436 2.81553 2.08489 -98.70883 612.39722
3865.0000 -101.54137 -97.44353 4.09784 2.21149 -97.17909 717.66323
3870.0000 -101.43255 -97.88825 3.54430 2.20344 -97.27631 702.44241
3875.0000 -101.70522 -97.37617 4.32905 2.15211 -97.89652 662.05241
3880.0000 -101.30004 -97.30918 3.99087 2.19844 -97.33679 744.69619
3885.0000 -101.58789 -97.68212 3.90577 2.19043 -97.43361 713.62950
3890.0000 -101.36401 -97.05407 4.30994 2.15630 -97.84593 700.26980
3895.0000 -100.48653 -96.58413 3.90241 2.24007 -96.83371 725.89394
3900.0000 -101.96787 -97.97074 3.99712 2.16771 -97.70809 654.77026
3905.0000 -101.48996 -98.50362 2.98635 2.12569 -98.21576 633.29828
3910.0000 -102.32918 -99.25845 3.07073 2.08446 -98.71395 607.65326
3915.0000 -101.23029 -98.16398 3.06631 2.07248 -98.85867 614.31225
3920.0000 -101.78527 -98.25823 3.52704 2.18663 -97.47947 683.71510
3925.0000 -102.04665 -99.08336 2.96328 2.10491 -98.46692 622.27627
3930.0000 -101.43027 -97.98821 3.44206 2.11056 -98.39863 625.92209
3935.0000 -101.81016 -98.50113 3.30903 2.13772 -98.07042 645.72371
3940.0000 -101.64745 -98.51545 3.13200 2.12732 -98.19608 670.82448
3945.0000 -101.84280 -98.73127 3.11153 2.07660 -98.80893 615.30915
3950.0000 -102.31897 -98.25799 4.06098 2.11319 -98.36683 635.27978
3955.0000 -101.54784 -98.40977 3.13807 2.12493 -98.22497 657.85160
3960.0000 -101.17308 -97.58926 3.58381 2.14914 -97.93243 650.76571
3965.0000 -101.35705 -97.60085 3.75620 2.17880 -97.57412 693.87043
3970.0000 -101.10986 -98.12177 2.98809 2.19100 -97.42671 694.49154
3975.0000 -102.84080 -98.72579 4.11501 2.10035 -98.52199 626.54248
3980.0000 -100.54874 -97.62479 2.92396 2.11838 -98.30417 657.11344
3985.0000 -100.07020 -96.57370 3.49650 2.19204 -97.41411 667.72072
3990.0000 -101.15074 -97.59934 3.55140 2.21848 -97.09463 682.81920
3995.0000 -101.82499 -98.57296 3.25203 2.13578 -98.09393 671.58007
4000.0000 -102.40139 -98.37092 4.03046 2.07521 -98.82577 615.28902
FREEZING PROCESS: loop number 17 T-loop= 640.00000000000000
main_MD> interactions number 17 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96191 -0.31054 1.45554
force_rgl> df(natom) -1.53371 1.71378 0.43373
4005.0000 -101.43271 -98.32853 3.10417 2.11551 -98.33874 638.71679
4010.0000 -102.04922 -98.85750 3.19171 2.11984 -98.28649 655.37088
4015.0000 -102.67472 -98.99525 3.67947 2.04528 -99.18732 580.23619
4020.0000 -102.27642 -98.82247 3.45395 2.09027 -98.64380 630.89415
4025.0000 -100.93591 -97.63226 3.30366 2.13023 -98.16091 673.24642
4030.0000 -101.50107 -97.41464 4.08643 2.21211 -97.17160 715.62158
4035.0000 -101.38897 -97.84338 3.54559 2.24709 -96.74900 697.97748
4040.0000 -102.61186 -99.27848 3.33338 2.08418 -98.71731 643.99323
4045.0000 -102.30990 -99.57794 2.73195 2.03844 -99.27001 578.56313
4050.0000 -103.15923 -98.80784 4.35139 2.03466 -99.31567 557.46790
4055.0000 -101.65860 -98.37307 3.28553 2.09875 -98.54131 625.38880
4060.0000 -101.90674 -98.49168 3.41506 2.13753 -98.07270 643.54687
4065.0000 -101.64031 -97.63266 4.00765 2.12847 -98.18221 627.90155
4070.0000 -102.08072 -98.35070 3.73002 2.12404 -98.23577 653.88791
4075.0000 -102.27575 -99.38877 2.88698 2.04078 -99.24177 588.14714
4080.0000 -102.46152 -98.49333 3.96820 2.08125 -98.75277 611.28006
4085.0000 -101.76470 -98.59336 3.17133 2.10293 -98.49075 602.84895
4090.0000 -101.73226 -98.19549 3.53677 2.12726 -98.19687 669.96597
4095.0000 -101.42294 -97.75338 3.66956 2.13698 -98.07938 674.92317
4100.0000 -102.33706 -98.60634 3.73072 2.14738 -97.95375 666.45423
4105.0000 -102.50009 -98.98038 3.51971 2.08509 -98.70639 635.52515
4110.0000 -102.46057 -99.98207 2.47850 2.02465 -99.43664 553.90795
4115.0000 -101.62253 -98.15337 3.46917 2.07725 -98.80107 610.63415
4120.0000 -101.21707 -98.49025 2.72682 2.08809 -98.67012 616.08504
4125.0000 -101.21553 -97.89410 3.32143 2.12805 -98.18728 607.09255
4130.0000 -101.82629 -98.74367 3.08262 2.13751 -98.07298 637.98723
4135.0000 -101.43015 -98.24398 3.18617 2.09041 -98.64209 612.62737
4140.0000 -101.23822 -97.80222 3.43600 2.17171 -97.65972 666.39581
4145.0000 -101.99085 -98.14984 3.84102 2.13121 -98.14913 671.56148
4150.0000 -100.43877 -97.07186 3.36691 2.20967 -97.20103 710.44225
4155.0000 -101.51037 -97.95015 3.56022 2.17167 -97.66028 667.50231
4160.0000 -101.10607 -96.58985 4.51622 2.21006 -97.19643 686.28501
4165.0000 -100.95573 -97.24535 3.71038 2.20430 -97.26599 712.55593
4170.0000 -99.92412 -96.73502 3.18911 2.25652 -96.63497 726.13354
4175.0000 -101.86132 -98.00444 3.85688 2.20933 -97.20521 707.68636
4180.0000 -101.89779 -98.96647 2.93131 2.08501 -98.70735 600.47334
4185.0000 -102.07909 -98.12079 3.95830 2.10573 -98.45696 640.69495
4190.0000 -101.66903 -98.00333 3.66570 2.13544 -98.09795 651.55917
4195.0000 -101.67079 -98.50406 3.16672 2.12167 -98.26438 676.46420
4200.0000 -101.34262 -97.01271 4.32991 2.15145 -97.90458 667.25790
4205.0000 -101.78814 -97.75480 4.03335 2.20291 -97.28279 690.79687
4210.0000 -101.29695 -96.58283 4.71411 2.24533 -96.77024 743.87525
4215.0000 -101.06424 -97.00633 4.05791 2.25067 -96.70574 770.22469
4220.0000 -102.41431 -98.60121 3.81310 2.16481 -97.74311 680.27026
4225.0000 -101.92734 -98.74008 3.18726 2.09391 -98.59983 604.90260
4230.0000 -102.70562 -99.33715 3.36847 2.07515 -98.82642 603.79020
4235.0000 -102.05203 -98.29930 3.75273 2.07382 -98.84255 597.47998
4240.0000 -101.23642 -97.74324 3.49318 2.14862 -97.93875 658.68851
4245.0000 -101.96839 -98.84295 3.12544 2.12710 -98.19880 637.95666
4250.0000 -100.98204 -97.57792 3.40412 2.13326 -98.12431 630.25962
FREEZING PROCESS: loop number 18 T-loop= 615.00000000000000
main_MD> interactions number 18 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67164 -1.28521 -0.08064
force_rgl> df(natom) -2.59063 1.19725 1.16082
4255.0000 -101.79745 -97.49783 4.29962 2.18306 -97.52259 683.45713
4260.0000 -101.19381 -97.52030 3.67351 2.15770 -97.82898 651.24166
4265.0000 -101.70620 -98.13866 3.56754 2.13033 -98.15976 618.54850
4270.0000 -102.43015 -99.13449 3.29565 2.12560 -98.21682 609.03732
4275.0000 -101.81681 -97.85382 3.96299 2.05555 -99.06333 571.77940
4280.0000 -102.64995 -99.06306 3.58689 2.08784 -98.67307 650.56748
4285.0000 -102.34913 -98.73930 3.60983 2.04672 -99.16995 618.97251
4290.0000 -101.61477 -97.70734 3.90743 2.10216 -98.50011 630.20484
4295.0000 -100.93890 -97.22448 3.71442 2.16383 -97.75502 663.04813
4300.0000 -101.59382 -98.29016 3.30366 2.16162 -97.78167 672.75351
4305.0000 -100.24543 -96.75186 3.49356 2.18079 -97.55005 686.52665
4310.0000 -101.58750 -97.86824 3.71925 2.19702 -97.35399 681.74629
4315.0000 -101.24394 -98.58517 2.65877 2.13587 -98.09283 635.46472
4320.0000 -102.49550 -98.64246 3.85305 2.05102 -99.11805 581.90211
4325.0000 -101.74190 -98.80223 2.93967 2.06557 -98.94221 566.00019
4330.0000 -101.60900 -98.02842 3.58058 2.10241 -98.49708 591.17852
4335.0000 -102.00320 -99.36558 2.63762 2.09433 -98.59475 605.12140
4340.0000 -101.88990 -99.04676 2.84314 2.03443 -99.31841 563.29251
4345.0000 -101.90727 -98.97382 2.93345 2.06281 -98.97558 579.65176
4350.0000 -101.70681 -98.72683 2.97998 2.11271 -98.37261 599.79730
4355.0000 -101.94120 -99.06059 2.88061 2.07496 -98.82876 570.20098
4360.0000 -102.62396 -99.48911 3.13485 2.03259 -99.34071 545.71787
4365.0000 -102.59353 -99.08082 3.51271 2.06088 -98.99893 592.03726
4370.0000 -102.48918 -98.87785 3.61134 2.04822 -99.15184 614.37199
4375.0000 -102.65052 -99.45529 3.19522 2.06877 -98.90349 609.50116
4380.0000 -101.52125 -98.43887 3.08238 2.06370 -98.96480 587.08723
4385.0000 -102.37953 -98.83237 3.54716 2.11301 -98.36900 663.04470
4390.0000 -101.76156 -98.77718 2.98438 2.09526 -98.58349 620.48221
4395.0000 -101.66474 -98.63881 3.02593 2.03282 -99.33796 564.77322
4400.0000 -101.29774 -98.72616 2.57158 2.07101 -98.87645 597.71145
4405.0000 -102.14217 -98.66914 3.47303 2.06844 -98.90752 578.85860
4410.0000 -101.96184 -98.87444 3.08740 2.09268 -98.61461 615.56197
4415.0000 -102.85603 -99.52256 3.33347 2.05300 -99.09406 576.52030
4420.0000 -103.07494 -99.96387 3.11106 2.00578 -99.66465 533.63094
4425.0000 -102.72694 -99.31585 3.41109 2.00825 -99.63481 548.46616
4430.0000 -102.51975 -99.61930 2.90045 2.04180 -99.22946 577.16047
4435.0000 -101.86245 -98.39255 3.46989 2.06392 -98.96213 594.39266
4440.0000 -101.82968 -98.64652 3.18316 2.11625 -98.32989 628.26314
4445.0000 -101.53645 -99.10711 2.42934 2.08619 -98.69309 616.45240
4450.0000 -102.14417 -98.57567 3.56849 2.09506 -98.58584 614.88215
4455.0000 -102.09182 -98.36937 3.72245 2.10827 -98.42632 599.88039
4460.0000 -101.75435 -98.65697 3.09738 2.10833 -98.42560 633.48980
4465.0000 -102.23868 -99.12373 3.11495 2.05772 -99.03710 576.53987
4470.0000 -101.77546 -98.30946 3.46601 2.09663 -98.56687 616.57315
4475.0000 -101.56854 -98.36505 3.20350 2.08146 -98.75017 610.08620
4480.0000 -102.40123 -99.82205 2.57918 2.05601 -99.05776 591.23452
4485.0000 -102.54545 -99.50333 3.04212 2.00822 -99.63512 544.86054
4490.0000 -101.39347 -97.57205 3.82142 2.11525 -98.34190 615.14635
4495.0000 -102.32471 -98.70106 3.62364 2.16240 -97.77226 679.26875
4500.0000 -101.73543 -97.89937 3.83606 2.10077 -98.51692 635.18618
FREEZING PROCESS: loop number 19 T-loop= 590.00000000000000
main_MD> interactions number 19 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63751 -1.68236 1.46525
force_rgl> df(natom) -0.54997 2.26341 0.84983
4505.0000 -101.59780 -98.58489 3.01292 2.14395 -97.99519 648.98936
4510.0000 -101.60328 -98.46133 3.14195 2.07894 -98.78070 608.41595
4515.0000 -102.79245 -99.49838 3.29407 2.02055 -99.48618 587.13626
4520.0000 -102.08917 -99.01907 3.07010 1.99793 -99.75946 565.06142
4525.0000 -101.35216 -98.57043 2.78173 2.09045 -98.64159 626.08471
4530.0000 -102.60790 -99.33647 3.27143 2.06370 -98.96485 541.15495
4535.0000 -102.38913 -99.25459 3.13454 2.03515 -99.30982 586.50868
4540.0000 -101.75095 -99.02036 2.73059 2.05499 -99.07002 578.80174
4545.0000 -102.17677 -98.77433 3.40244 2.07290 -98.85366 599.50021
4550.0000 -102.13071 -98.66219 3.46852 2.07581 -98.81851 611.61931
4555.0000 -102.90090 -100.48510 2.41579 2.02325 -99.45357 593.86868
4560.0000 -103.35978 -100.06373 3.29606 1.99166 -99.83530 569.32533
4565.0000 -102.93677 -100.24266 2.69411 1.92626 -100.62545 474.82040
4570.0000 -101.55182 -98.70485 2.84696 2.02739 -99.40350 557.78179
4575.0000 -101.50370 -98.41058 3.09311 2.09738 -98.55783 612.22262
4580.0000 -101.71354 -98.18691 3.52664 2.11435 -98.35282 612.99842
4585.0000 -101.71219 -98.30631 3.40588 2.14162 -98.02336 657.97028
4590.0000 -102.54262 -98.45659 4.08603 2.14202 -98.01851 664.10131
4595.0000 -102.33068 -98.79616 3.53452 2.06238 -98.98075 620.09542
4600.0000 -100.35880 -97.64273 2.71607 2.10033 -98.52218 638.10344
4605.0000 -101.25005 -97.20685 4.04320 2.16701 -97.71648 665.92700
4610.0000 -101.86177 -98.59856 3.26321 2.16308 -97.76406 686.76267
4615.0000 -102.81902 -99.28797 3.53106 2.05343 -99.08886 594.87839
4620.0000 -101.96114 -99.14725 2.81389 2.01555 -99.54664 567.85317
4625.0000 -102.08562 -98.45427 3.63135 2.10347 -98.48423 625.15703
4630.0000 -102.21950 -99.20742 3.01207 2.06334 -98.96914 596.52108
4635.0000 -102.06533 -98.42854 3.63679 2.10659 -98.44653 659.29797
4640.0000 -102.17805 -98.97426 3.20379 2.09059 -98.63994 604.22602
4645.0000 -102.50512 -99.39924 3.10589 2.06346 -98.96765 600.75513
4650.0000 -102.69765 -99.79189 2.90576 1.99633 -99.77885 547.83526
4655.0000 -102.73750 -99.86206 2.87545 1.99387 -99.80857 547.09287
4660.0000 -102.32424 -99.02803 3.29621 2.02194 -99.46935 560.37043
4665.0000 -102.79281 -99.54534 3.24747 2.01912 -99.50347 561.46884
4670.0000 -102.57700 -98.90881 3.66819 2.01352 -99.57117 573.03326
4675.0000 -102.20007 -98.64882 3.55125 2.08243 -98.73846 627.35689
4680.0000 -102.31483 -98.30199 4.01285 2.08338 -98.72705 617.89618
4685.0000 -102.36674 -99.75824 2.60850 2.01412 -99.56387 578.66403
4690.0000 -102.39265 -99.12131 3.27134 2.02761 -99.40084 572.70623
4695.0000 -101.85577 -98.59416 3.26162 2.05749 -99.03989 577.48838
4700.0000 -101.34128 -97.69722 3.64406 2.14092 -98.03182 668.08964
4705.0000 -101.80718 -97.90345 3.90373 2.13642 -98.08615 667.03783
4710.0000 -102.19924 -99.35302 2.84623 2.07308 -98.85145 629.33244
4715.0000 -101.98747 -98.40736 3.58011 2.07092 -98.87756 626.20138
4720.0000 -102.65416 -98.80681 3.84735 2.06583 -98.93903 608.51287
4725.0000 -102.23191 -99.55047 2.68144 2.05773 -99.03694 585.49876
4730.0000 -102.34279 -99.19666 3.14613 2.03720 -99.28500 572.93007
4735.0000 -102.52326 -98.64366 3.87960 2.10419 -98.47560 625.52453
4740.0000 -102.04330 -98.84486 3.19844 2.07294 -98.85322 595.39530
4745.0000 -101.67058 -98.83080 2.83978 2.12093 -98.27335 603.58902
4750.0000 -101.47529 -97.97426 3.50103 2.11604 -98.33237 608.51110
FREEZING PROCESS: loop number 20 T-loop= 565.00000000000000
main_MD> interactions number 20 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.08256 -0.60280 0.67104
force_rgl> df(natom) 2.11410 -2.07668 3.21528
4755.0000 -102.66908 -99.25558 3.41350 2.09295 -98.61136 590.42292
4760.0000 -102.13814 -99.44192 2.69623 2.03094 -99.36061 548.87633
4765.0000 -102.11304 -98.36392 3.74912 2.09483 -98.58864 645.37463
4770.0000 -100.77033 -98.11430 2.65603 2.13764 -98.07142 674.03270
4775.0000 -102.35787 -99.27183 3.08604 2.11296 -98.36958 621.34549
4780.0000 -103.13230 -100.20218 2.93013 2.00395 -99.68680 552.82941
4785.0000 -102.13163 -98.95652 3.17511 2.00853 -99.63140 558.04138
4790.0000 -102.74789 -99.18355 3.56434 2.05110 -99.11703 583.53870
4795.0000 -102.30884 -99.27228 3.03655 2.01615 -99.53931 562.16176
4800.0000 -102.01405 -99.66652 2.34753 2.04136 -99.23476 565.34384
4805.0000 -102.81107 -100.07446 2.73662 1.96852 -100.11480 508.26049
4810.0000 -102.52611 -99.76640 2.75971 1.96055 -100.21120 501.37782
4815.0000 -103.28753 -100.26247 3.02506 1.99431 -99.80322 532.77640
4820.0000 -102.32942 -99.38256 2.94686 1.96785 -100.12296 507.72963
4825.0000 -102.35431 -99.00214 3.35217 2.01785 -99.51875 573.73833
4830.0000 -102.22016 -98.41028 3.80988 2.05215 -99.10442 563.49433
4835.0000 -101.08799 -98.35206 2.73593 2.10078 -98.51672 611.11989
4840.0000 -102.34960 -98.87396 3.47563 2.12588 -98.21347 623.72176
4845.0000 -103.09968 -99.96674 3.13294 2.00884 -99.62764 539.56985
4850.0000 -103.21828 -100.35122 2.86706 1.97932 -99.98432 520.16794
4855.0000 -103.17450 -100.12023 3.05427 1.95713 -100.25246 497.43849
4860.0000 -102.48300 -99.11820 3.36480 2.04061 -99.24380 567.10664
4865.0000 -102.31740 -99.80106 2.51634 2.02477 -99.43519 520.72192
4870.0000 -103.24561 -100.72184 2.52377 1.96961 -100.10166 516.88327
4875.0000 -102.61145 -99.13107 3.48038 1.98982 -99.85750 546.31640
4880.0000 -102.66098 -99.65636 3.00462 2.04071 -99.24258 579.24640
4885.0000 -102.85477 -99.95463 2.90014 2.04291 -99.21599 602.91189
4890.0000 -103.36848 -99.96053 3.40796 1.96303 -100.18123 538.88398
4895.0000 -103.68031 -100.84520 2.83512 1.97852 -99.99396 545.79986
4900.0000 -102.32083 -99.62914 2.69168 1.91519 -100.75926 489.43717
4905.0000 -102.84991 -100.27604 2.57387 1.97613 -100.02293 513.45217
4910.0000 -102.75701 -99.89867 2.85835 1.95866 -100.23400 517.07185
4915.0000 -103.06021 -99.83239 3.22783 1.97800 -100.00035 543.14603
4920.0000 -102.75135 -99.85067 2.90068 1.97942 -99.98313 530.33795
4925.0000 -101.62696 -98.99257 2.63439 2.02681 -99.41059 526.53681
4930.0000 -102.32304 -98.78246 3.54059 2.05784 -99.03567 576.50619
4935.0000 -102.48806 -99.57167 2.91638 2.07448 -98.83455 578.12664
4940.0000 -102.64695 -99.31259 3.33436 2.00944 -99.62037 552.15468
4945.0000 -102.66311 -99.79210 2.87101 2.00169 -99.71408 537.56538
4950.0000 -101.73962 -98.82668 2.91293 2.03885 -99.26506 557.47753
4955.0000 -101.69808 -98.61567 3.08241 2.04242 -99.22194 568.73325
4960.0000 -102.22230 -99.24724 2.97505 2.07001 -98.88857 605.09393
4965.0000 -102.82577 -99.59757 3.22820 2.02774 -99.39935 549.63535
4970.0000 -101.98788 -98.94639 3.04149 2.05406 -99.08124 574.84116
4975.0000 -101.68128 -98.38233 3.29895 2.09636 -98.57016 616.26935
4980.0000 -102.12406 -98.81779 3.30628 2.06295 -98.97387 601.40459
4985.0000 -102.80280 -99.57064 3.23216 2.02085 -99.48251 589.53705
4990.0000 -102.70678 -99.88519 2.82159 1.99629 -99.77926 552.83080
4995.0000 -102.91621 -100.10788 2.80833 1.98479 -99.91829 536.46959
5000.0000 -103.25246 -99.69590 3.55656 1.99095 -99.84379 546.90640
FREEZING PROCESS: loop number 21 T-loop= 540.00000000000000
main_MD> interactions number 21 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23224 -1.34553 0.31538
force_rgl> df(natom) -3.43174 -0.00004 0.35751
5005.0000 -103.41142 -100.23412 3.17730 1.96575 -100.14837 552.00778
5010.0000 -102.88613 -99.56742 3.31871 1.97566 -100.02861 522.46848
5015.0000 -102.18853 -99.50679 2.68174 2.01786 -99.51872 539.58423
5020.0000 -101.66924 -98.32603 3.34320 2.04932 -99.13850 590.75398
5025.0000 -102.20914 -98.45923 3.74991 2.10834 -98.42539 630.78674
5030.0000 -101.87376 -98.29607 3.57768 2.12228 -98.25699 593.40419
5035.0000 -101.73052 -98.92096 2.80956 2.07981 -98.77009 586.72544
5040.0000 -101.89549 -99.01146 2.88403 2.08091 -98.75692 578.17589
5045.0000 -102.21847 -99.19382 3.02466 2.01980 -99.49528 523.37446
5050.0000 -102.77466 -99.96483 2.80983 2.04795 -99.15514 527.02743
5055.0000 -102.59693 -100.08174 2.51519 1.98408 -99.92679 500.48297
5060.0000 -102.67405 -99.97861 2.69544 1.98994 -99.85601 529.03850
5065.0000 -102.72320 -99.63374 3.08946 1.99629 -99.77926 552.92959
5070.0000 -102.03087 -99.46791 2.56296 2.00639 -99.65731 558.49304
5075.0000 -101.42756 -98.48675 2.94082 2.10225 -98.49897 625.01940
5080.0000 -102.31588 -99.62993 2.68595 2.04151 -99.23294 547.56176
5085.0000 -102.13553 -98.79877 3.33676 2.01819 -99.51464 534.91638
5090.0000 -102.96778 -100.33058 2.63720 1.98556 -99.90901 542.33807
5095.0000 -102.25914 -99.40522 2.85392 1.96379 -100.17201 498.15736
5100.0000 -101.86714 -98.68960 3.17754 2.05230 -99.10252 576.69548
5105.0000 -103.48658 -100.92342 2.56316 1.99544 -99.78952 532.10109
5110.0000 -103.20224 -100.57019 2.63205 1.90292 -100.90747 448.02491
5115.0000 -103.05290 -100.14017 2.91273 1.97974 -99.97922 534.61834
5120.0000 -102.34037 -99.83348 2.50689 1.98208 -99.95100 536.44617
5125.0000 -102.60002 -99.72991 2.87011 1.97765 -100.00452 537.36940
5130.0000 -102.52037 -99.51844 3.00193 2.00868 -99.62956 566.40480
5135.0000 -102.76684 -99.15246 3.61438 2.03674 -99.29058 574.52483
5140.0000 -102.30799 -99.65241 2.65558 2.01395 -99.56595 554.40526
5145.0000 -102.91233 -100.07282 2.83951 1.97573 -100.02774 541.28846
5150.0000 -103.16110 -100.52392 2.63718 1.96263 -100.18604 509.92581
5155.0000 -102.29052 -99.30150 2.98902 1.98219 -99.94968 553.79788
5160.0000 -102.58762 -99.46016 3.12747 2.06946 -98.89519 601.89844
5165.0000 -103.04991 -100.48633 2.56358 1.97583 -100.02649 531.51839
5170.0000 -103.55700 -101.28294 2.27406 1.94030 -100.45576 513.45502
5175.0000 -102.95922 -100.17238 2.78684 1.91339 -100.78099 481.70679
5180.0000 -102.95527 -99.47101 3.48425 1.99048 -99.84954 547.18860
5185.0000 -102.47409 -99.20450 3.26959 2.03834 -99.27120 580.51734
5190.0000 -102.25071 -99.07449 3.17622 2.01908 -99.50390 555.45094
5195.0000 -102.01305 -99.28817 2.72488 2.06243 -98.98019 614.76960
5200.0000 -101.90208 -98.96690 2.93518 2.01554 -99.54671 555.76916
5205.0000 -102.24772 -99.63429 2.61343 2.03907 -99.26244 548.26249
5210.0000 -102.65849 -100.44586 2.21263 1.96664 -100.13752 503.52206
5215.0000 -102.34229 -99.41088 2.93141 1.96493 -100.15822 489.36008
5220.0000 -102.39901 -99.33361 3.06540 2.02544 -99.42713 566.06735
5225.0000 -102.28372 -99.42461 2.85911 2.03534 -99.30748 583.78808
5230.0000 -101.84405 -99.18281 2.66124 1.98970 -99.85895 515.20053
5235.0000 -103.74389 -100.45313 3.29076 2.02104 -99.48029 558.75750
5240.0000 -102.06821 -99.20578 2.86243 1.99877 -99.74932 543.23033
5245.0000 -102.23205 -99.36327 2.86878 2.05724 -99.04290 585.36809
5250.0000 -101.98918 -98.92766 3.06153 2.04762 -99.15909 556.57627
FREEZING PROCESS: loop number 22 T-loop= 515.00000000000000
main_MD> interactions number 22 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68814 -0.00627 0.45527
force_rgl> df(natom) -3.14099 0.14514 1.18606
5255.0000 -102.02217 -99.22080 2.80137 2.00794 -99.63855 512.88790
5260.0000 -103.45968 -100.98581 2.47387 1.96781 -100.12339 508.97921
5265.0000 -103.58636 -101.31833 2.26803 1.86492 -101.36661 435.62041
5270.0000 -103.27713 -100.71704 2.56010 1.91795 -100.72583 474.08552
5275.0000 -102.52280 -100.10313 2.41967 1.92533 -100.63670 481.84535
5280.0000 -103.46076 -100.99911 2.46165 1.92650 -100.62261 478.05475
5285.0000 -103.74472 -100.06975 3.67497 1.95014 -100.33689 507.38585
5290.0000 -103.15891 -100.12343 3.03548 1.95895 -100.23049 541.47229
5295.0000 -102.69857 -100.16092 2.53766 1.95456 -100.28346 514.62287
5300.0000 -102.72723 -100.18681 2.54042 1.94633 -100.38300 479.00305
5305.0000 -102.37401 -99.44081 2.93320 1.98392 -99.92874 533.46238
5310.0000 -102.97923 -100.11650 2.86273 2.00032 -99.73056 519.96800
5315.0000 -103.44168 -100.80641 2.63527 1.92998 -100.58053 471.93271
5320.0000 -103.08100 -100.45805 2.62295 1.91879 -100.71571 487.98696
5325.0000 -102.87587 -99.80014 3.07573 1.93595 -100.50843 489.53956
5330.0000 -102.39705 -99.58209 2.81496 1.99849 -99.75269 552.71285
5335.0000 -103.06477 -99.55977 3.50499 1.99436 -99.80262 549.52357
5340.0000 -103.02632 -100.40760 2.61872 1.95660 -100.25883 511.03019
5345.0000 -103.25413 -100.11052 3.14361 1.93929 -100.46803 508.13418
5350.0000 -102.53125 -99.98537 2.54588 1.95465 -100.28245 510.88010
5355.0000 -102.49431 -100.01653 2.47778 1.95522 -100.27557 497.98465
5360.0000 -103.27484 -100.39519 2.87965 1.92715 -100.61466 442.68189
5365.0000 -102.37467 -99.20021 3.17446 2.00408 -99.68517 554.27638
5370.0000 -102.54273 -99.20786 3.33487 2.01475 -99.55624 580.14485
5375.0000 -102.97716 -99.37751 3.59964 2.05196 -99.10671 623.97699
5380.0000 -102.99925 -99.75652 3.24273 1.98891 -99.86847 550.66983
5385.0000 -102.02766 -99.24507 2.78258 1.99886 -99.74826 528.36459
5390.0000 -102.84621 -100.12984 2.71637 1.98481 -99.91807 497.62090
5395.0000 -103.27176 -100.67477 2.59698 1.96684 -100.13517 495.15971
5400.0000 -103.65769 -101.44172 2.21597 1.89958 -100.94784 472.23238
5405.0000 -103.69572 -100.97600 2.71972 1.86041 -101.42111 452.32719
5410.0000 -103.01400 -100.68827 2.32573 1.90512 -100.88090 495.10815
5415.0000 -103.60699 -100.09400 3.51299 1.94112 -100.44592 508.52228
5420.0000 -102.83602 -100.46693 2.36909 1.92979 -100.58276 505.69649
5425.0000 -102.42030 -99.59209 2.82822 1.96323 -100.17880 491.18304
5430.0000 -102.60548 -99.64952 2.95596 2.02005 -99.49225 553.50929
5435.0000 -102.39139 -99.98370 2.40769 1.98489 -99.91705 540.78073
5440.0000 -103.42881 -100.71430 2.71450 1.95089 -100.32787 513.53420
5445.0000 -102.64343 -100.20707 2.43636 1.92330 -100.66119 501.02793
5450.0000 -103.66909 -101.28383 2.38526 1.87724 -101.21778 452.32399
5455.0000 -103.20000 -100.44686 2.75314 1.88839 -101.08304 467.90792
5460.0000 -103.50345 -100.49728 3.00617 1.93630 -100.50417 505.27755
5465.0000 -103.14746 -100.49507 2.65239 1.92688 -100.61793 481.97976
5470.0000 -103.29530 -100.61248 2.68282 1.93371 -100.53541 471.28372
5475.0000 -103.42263 -99.97445 3.44818 1.98946 -99.86185 542.68458
5480.0000 -102.23732 -99.23548 3.00184 1.97438 -100.04403 529.60088
5485.0000 -102.00609 -99.35684 2.64926 2.05709 -99.04468 591.64621
5490.0000 -102.13462 -99.34024 2.79437 1.99576 -99.78568 517.70194
5495.0000 -103.03507 -99.76533 3.26974 2.01374 -99.56848 542.65703
5500.0000 -103.04709 -100.17942 2.86767 1.98985 -99.85710 547.69370
FREEZING PROCESS: loop number 23 T-loop= 490.00000000000000
main_MD> interactions number 23 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17717 1.24216 0.45697
force_rgl> df(natom) -0.04260 -0.37932 1.95935
5505.0000 -103.48065 -100.67196 2.80869 1.94346 -100.41767 505.19641
5510.0000 -102.70133 -100.47522 2.22611 1.93344 -100.53874 465.29146
5515.0000 -102.84536 -100.41779 2.42758 1.93426 -100.52884 471.14394
5520.0000 -102.90772 -100.15326 2.75446 1.98010 -99.97495 518.41520
5525.0000 -102.84365 -100.06412 2.77953 1.92775 -100.60751 487.08422
5530.0000 -103.50807 -100.93290 2.57517 1.96935 -100.10476 542.99660
5535.0000 -104.00503 -101.53674 2.46829 1.88512 -101.12250 446.08320
5540.0000 -103.54625 -101.40872 2.13753 1.88843 -101.08251 440.26981
5545.0000 -103.74438 -101.14518 2.59920 1.88974 -101.06670 440.76460
5550.0000 -104.26980 -102.15864 2.11115 1.83663 -101.70844 412.01416
5555.0000 -103.27991 -101.31781 1.96210 1.81995 -101.90993 395.70026
5560.0000 -104.16101 -100.99078 3.17022 1.89662 -100.98359 473.32029
5565.0000 -103.80282 -101.40606 2.39676 1.84378 -101.62208 440.03821
5570.0000 -103.96787 -101.23378 2.73409 1.85685 -101.46408 447.56772
5575.0000 -104.03694 -100.95271 3.08423 1.89280 -101.02979 466.95120
5580.0000 -103.78236 -100.87608 2.90628 1.91834 -100.72120 498.06798
5585.0000 -103.78535 -100.91004 2.87531 1.90666 -100.86224 490.06978
5590.0000 -103.70222 -101.62944 2.07278 1.88267 -101.15209 483.74762
5595.0000 -103.33620 -100.90167 2.43452 1.87766 -101.21274 443.81405
5600.0000 -103.46487 -101.36692 2.09795 1.88924 -101.07272 450.90278
5605.0000 -103.83169 -100.73798 3.09370 1.91509 -100.76039 466.50352
5610.0000 -103.32582 -100.69036 2.63546 1.91973 -100.70439 481.23029
5615.0000 -103.80001 -101.31117 2.48885 1.90575 -100.87334 482.23088
5620.0000 -103.63341 -100.85709 2.77631 1.90868 -100.83786 476.52525
5625.0000 -103.26063 -100.88581 2.37482 1.92121 -100.68652 478.29222
5630.0000 -103.78436 -101.30317 2.48118 1.91076 -100.81269 458.39544
5635.0000 -103.16824 -100.57329 2.59496 1.89971 -100.94627 454.45784
5640.0000 -102.72603 -99.76273 2.96330 1.94250 -100.42920 490.47562
5645.0000 -103.93893 -101.04988 2.88905 1.95541 -100.27319 518.33700
5650.0000 -103.26849 -100.45866 2.80983 1.91087 -100.81144 476.90354
5655.0000 -103.19856 -100.40335 2.79521 1.95487 -100.27978 516.23345
5660.0000 -103.24058 -100.81719 2.42339 1.94667 -100.37885 487.24422
5665.0000 -103.14897 -101.18998 1.95899 1.89161 -101.04414 432.01933
5670.0000 -103.54204 -101.07831 2.46373 1.89277 -101.03015 453.65814
5675.0000 -103.58808 -100.63653 2.95156 1.88985 -101.06543 470.38738
5680.0000 -104.01281 -101.44271 2.57010 1.87003 -101.30493 431.36726
5685.0000 -103.87083 -100.97583 2.89499 1.88075 -101.17538 461.65114
5690.0000 -103.82836 -101.39875 2.42961 1.88334 -101.14400 461.35765
5695.0000 -103.41189 -101.04669 2.36520 1.88483 -101.12604 450.28546
5700.0000 -103.56872 -100.80463 2.76408 1.86695 -101.34213 441.82520
5705.0000 -102.96663 -100.78186 2.18477 1.90371 -100.89791 482.70967
5710.0000 -102.81226 -100.13247 2.67979 1.95625 -100.26310 523.48764
5715.0000 -102.82055 -100.34803 2.47252 1.97331 -100.05694 520.75376
5720.0000 -102.90834 -100.28492 2.62342 1.96818 -100.11900 524.95464
5725.0000 -102.17201 -99.58177 2.59024 1.96019 -100.21551 513.00656
5730.0000 -102.98516 -100.64858 2.33658 1.98718 -99.88936 536.86576
5735.0000 -103.19294 -100.87506 2.31787 1.90720 -100.85581 458.07043
5740.0000 -102.34601 -99.58618 2.75983 1.94390 -100.41226 500.14607
5745.0000 -103.02126 -100.72728 2.29399 1.94940 -100.34585 503.15106
5750.0000 -102.74669 -100.62402 2.12267 1.93637 -100.50335 471.56849
FREEZING PROCESS: loop number 24 T-loop= 465.00000000000000
main_MD> interactions number 24 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.49087 -0.24950 1.85499
force_rgl> df(natom) -1.39023 2.74801 4.72545
5755.0000 -103.36411 -101.12856 2.23555 1.92492 -100.64170 452.83561
5760.0000 -102.57446 -99.87939 2.69507 1.92237 -100.67241 470.21515
5765.0000 -103.42027 -101.10275 2.31751 1.93496 -100.52037 467.82072
5770.0000 -103.74760 -101.00681 2.74079 1.90833 -100.84213 459.10731
5775.0000 -102.37475 -99.61149 2.76327 1.93437 -100.52745 490.66441
5780.0000 -103.61274 -100.83415 2.77859 1.95793 -100.24276 526.36451
5785.0000 -103.58658 -101.16675 2.41983 1.89058 -101.05658 448.69647
5790.0000 -103.80508 -101.28684 2.51825 1.90384 -100.89636 472.48772
5795.0000 -104.10516 -101.87344 2.23172 1.85476 -101.48938 415.45239
5800.0000 -103.86733 -101.33418 2.53316 1.83804 -101.69142 385.67802
5805.0000 -103.54168 -101.37819 2.16348 1.87999 -101.18457 426.21926
5810.0000 -103.33036 -101.19623 2.13413 1.86859 -101.32226 439.14195
5815.0000 -103.81268 -101.82542 1.98725 1.86351 -101.38371 421.36503
5820.0000 -103.92453 -101.52544 2.39908 1.84834 -101.56699 419.80160
5825.0000 -103.71419 -101.41385 2.30034 1.86587 -101.35512 435.66869
5830.0000 -103.21504 -100.49827 2.71677 1.89067 -101.05550 472.06482
5835.0000 -103.69533 -101.80502 1.89031 1.85344 -101.50529 426.04010
5840.0000 -103.73851 -100.93546 2.80305 1.84684 -101.58501 408.60520
5845.0000 -103.25471 -100.85774 2.39698 1.91139 -100.80510 451.98103
5850.0000 -103.72291 -101.05085 2.67206 1.87949 -101.19053 444.60217
5855.0000 -103.80230 -101.11467 2.68763 1.88766 -101.09187 434.09490
5860.0000 -103.81122 -101.57632 2.23490 1.86107 -101.41319 419.73584
5865.0000 -103.43209 -100.72124 2.71084 1.89035 -101.05939 453.70416
5870.0000 -103.71546 -101.20847 2.50699 1.90314 -100.90478 489.42669
5875.0000 -102.93706 -100.67124 2.26582 1.89027 -101.06032 458.79693
5880.0000 -103.43447 -101.45049 1.98398 1.86866 -101.32138 421.89984
5885.0000 -103.63916 -101.27745 2.36171 1.85101 -101.53465 427.51949
5890.0000 -103.60449 -100.92235 2.68214 1.88584 -101.11387 459.24548
5895.0000 -103.75838 -101.50484 2.25354 1.86510 -101.36442 434.27541
5900.0000 -103.99996 -101.31057 2.68938 1.86524 -101.36276 416.03684
5905.0000 -103.54553 -100.91760 2.62793 1.91301 -100.78554 481.99710
5910.0000 -103.69088 -100.92911 2.76177 1.90110 -100.92946 442.52913
5915.0000 -102.97934 -100.24014 2.73920 1.91942 -100.70812 492.65149
5920.0000 -102.97472 -100.45133 2.52339 1.90283 -100.90853 472.60861
5925.0000 -104.15856 -101.61340 2.54515 1.89745 -100.97351 457.09269
5930.0000 -103.62060 -101.38694 2.23367 1.84705 -101.58249 428.07075
5935.0000 -103.72064 -101.27829 2.44235 1.84872 -101.56241 427.72493
5940.0000 -103.47274 -100.70764 2.76510 1.90511 -100.88101 478.21523
5945.0000 -103.48770 -101.25270 2.23500 1.91070 -100.81353 492.67469
5950.0000 -103.89226 -101.98672 1.90554 1.86427 -101.37444 446.27669
5955.0000 -103.98069 -101.82570 2.15498 1.84219 -101.64131 414.95431
5960.0000 -103.89549 -101.33259 2.56290 1.83480 -101.73051 411.23938
5965.0000 -104.00698 -101.33451 2.67247 1.86213 -101.40034 458.19214
5970.0000 -103.34152 -101.03493 2.30659 1.88054 -101.17789 453.33631
5975.0000 -103.21796 -101.37292 1.84504 1.87552 -101.23849 422.93706
5980.0000 -103.57135 -101.77607 1.79528 1.85508 -101.48557 424.68061
5985.0000 -103.37493 -100.59553 2.77940 1.85197 -101.52312 425.69614
5990.0000 -103.36921 -100.75166 2.61755 1.91846 -100.71967 477.56121
5995.0000 -103.62912 -101.17312 2.45600 1.91239 -100.79302 484.40012
6000.0000 -104.42566 -102.00724 2.41842 1.84103 -101.65528 407.23680
FREEZING PROCESS: loop number 25 T-loop= 440.00000000000000
main_MD> interactions number 25 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09178 0.26615 -2.07954
force_rgl> df(natom) -0.82762 -0.62904 -1.10372
6005.0000 -104.05406 -101.65449 2.39956 1.83597 -101.71644 405.25346
6010.0000 -103.80110 -101.17492 2.62618 1.85701 -101.46224 411.32517
6015.0000 -103.97106 -101.40328 2.56778 1.86922 -101.31466 414.76545
6020.0000 -103.55451 -101.41084 2.14367 1.87502 -101.24462 419.97452
6025.0000 -103.37531 -101.27801 2.09730 1.86067 -101.41799 423.12180
6030.0000 -103.44947 -101.03187 2.41760 1.87814 -101.20689 414.37612
6035.0000 -103.85326 -100.87902 2.97424 1.92336 -100.66056 472.09071
6040.0000 -103.13728 -100.33516 2.80211 1.89582 -100.99321 448.54942
6045.0000 -103.33023 -100.66196 2.66827 1.95578 -100.26881 518.86458
6050.0000 -104.05030 -101.79455 2.25575 1.85539 -101.48172 412.86461
6055.0000 -104.02615 -101.64274 2.38341 1.85240 -101.51788 413.45940
6060.0000 -103.84673 -101.76246 2.08427 1.83959 -101.67272 407.60488
6065.0000 -103.68900 -101.26915 2.41985 1.84564 -101.59956 410.86114
6070.0000 -103.72470 -101.89090 1.83380 1.86420 -101.37528 428.82850
6075.0000 -103.59362 -101.06405 2.52957 1.86029 -101.42255 409.33725
6080.0000 -103.70344 -101.14504 2.55840 1.88468 -101.12791 445.69157
6085.0000 -104.11961 -101.24960 2.87001 1.88283 -101.15018 452.37219
6090.0000 -103.68688 -101.54227 2.14462 1.84998 -101.54712 428.72243
6095.0000 -104.00485 -101.72876 2.27609 1.81711 -101.94426 408.37608
6100.0000 -104.45727 -102.54348 1.91378 1.77975 -102.39568 370.87449
6105.0000 -104.32396 -102.05594 2.26802 1.77727 -102.42566 370.08529
6110.0000 -103.99675 -101.69705 2.29969 1.84109 -101.65461 421.44155
6115.0000 -104.08844 -101.45092 2.63752 1.84982 -101.54907 430.48274
6120.0000 -104.12039 -101.68398 2.43641 1.86050 -101.42008 454.13601
6125.0000 -104.50497 -101.93118 2.57380 1.80891 -102.04336 397.25207
6130.0000 -103.97171 -101.71036 2.26135 1.81269 -101.99772 392.91556
6135.0000 -102.53926 -100.11094 2.42832 1.89865 -100.95904 464.95020
6140.0000 -103.61576 -101.34244 2.27331 1.91284 -100.78761 449.40415
6145.0000 -103.68490 -101.40979 2.27511 1.87411 -101.25563 429.51296
6150.0000 -103.35472 -101.37166 1.98305 1.84739 -101.57839 393.85080
6155.0000 -103.43383 -100.95009 2.48374 1.88947 -101.07002 428.71191
6160.0000 -103.34766 -100.52953 2.81813 1.92971 -100.58381 504.54448
6165.0000 -103.36099 -101.23129 2.12970 1.89750 -100.97299 419.86617
6170.0000 -104.06418 -101.51192 2.55226 1.86881 -101.31958 448.95208
6175.0000 -103.41062 -101.44744 1.96318 1.85051 -101.54068 437.58340
6180.0000 -103.72264 -101.08131 2.64133 1.88765 -101.09201 475.82954
6185.0000 -103.81480 -101.00670 2.80810 1.86978 -101.30789 446.56763
6190.0000 -103.58307 -100.83554 2.74753 1.89262 -101.03189 474.82821
6195.0000 -103.82107 -101.84024 1.98083 1.84541 -101.60232 432.90966
6200.0000 -103.42458 -101.12161 2.30297 1.86312 -101.38833 440.67172
6205.0000 -103.11853 -100.42481 2.69371 1.89671 -100.98247 478.75223
6210.0000 -103.17781 -100.90633 2.27148 1.93671 -100.49918 506.32338
6215.0000 -103.29216 -100.67894 2.61321 1.90390 -100.89566 437.57839
6220.0000 -102.78144 -100.20113 2.58031 1.95691 -100.25512 484.65691
6225.0000 -103.15562 -100.90144 2.25418 1.93326 -100.54085 472.15336
6230.0000 -103.15068 -99.88391 3.26678 1.94611 -100.38556 487.40536
6235.0000 -103.84324 -101.27046 2.57279 1.92671 -100.62003 479.71830
6240.0000 -103.64410 -101.02617 2.61793 1.88146 -101.16673 452.48104
6245.0000 -103.94063 -101.29047 2.65016 1.92482 -100.64285 498.56770
6250.0000 -103.75483 -101.56092 2.19390 1.86954 -101.31076 442.85546
FREEZING PROCESS: loop number 26 T-loop= 415.00000000000000
main_MD> interactions number 26 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68185 -2.39918 2.06766
force_rgl> df(natom) -0.40787 1.29289 0.34200
6255.0000 -103.90096 -102.05395 1.84701 1.84821 -101.56853 409.18645
6260.0000 -103.55143 -101.08135 2.47008 1.84355 -101.62482 395.16922
6265.0000 -103.66191 -100.97266 2.68925 1.89428 -101.01190 452.47420
6270.0000 -103.54796 -101.70476 1.84320 1.86080 -101.41643 437.96899
6275.0000 -103.90873 -102.08518 1.82355 1.83476 -101.73100 409.81587
6280.0000 -103.73033 -101.37140 2.35892 1.83071 -101.77992 390.07826
6285.0000 -104.33396 -101.81620 2.51776 1.84973 -101.55012 422.23814
6290.0000 -103.85646 -101.41466 2.44180 1.83199 -101.76447 394.31301
6295.0000 -103.93156 -101.65106 2.28049 1.84453 -101.61302 393.71561
6300.0000 -103.17761 -101.16435 2.01326 1.86000 -101.42601 439.59697
6305.0000 -103.63315 -101.41110 2.22205 1.85975 -101.42910 428.44637
6310.0000 -103.97731 -101.98416 1.99315 1.82624 -101.83396 407.85760
6315.0000 -103.59371 -101.22886 2.36485 1.84566 -101.59939 419.75422
6320.0000 -103.53013 -100.53946 2.99068 1.89973 -100.94604 466.40973
6325.0000 -103.54750 -100.87555 2.67195 1.91381 -100.77590 465.99841
6330.0000 -103.30933 -100.81881 2.49052 1.92049 -100.69520 483.85332
6335.0000 -103.68267 -101.29703 2.38564 1.87982 -101.18656 448.11291
6340.0000 -104.13289 -101.51272 2.62017 1.85945 -101.43276 434.14447
6345.0000 -104.50184 -102.44165 2.06018 1.80716 -102.06456 396.37311
6350.0000 -104.09736 -101.59663 2.50073 1.79499 -102.21158 375.72192
6355.0000 -103.97937 -101.48401 2.49537 1.85996 -101.42659 450.35632
6360.0000 -103.66016 -101.15301 2.50715 1.85135 -101.53055 422.83721
6365.0000 -103.57352 -101.02186 2.55166 1.86760 -101.33427 447.15587
6370.0000 -103.21918 -100.94630 2.27288 1.89666 -100.98305 466.36121
6375.0000 -103.17448 -100.62198 2.55251 1.92362 -100.65738 481.85460
6380.0000 -103.33096 -101.14898 2.18198 1.88450 -101.13009 440.13097
6385.0000 -103.68511 -101.14470 2.54041 1.87056 -101.29844 411.27018
6390.0000 -103.83150 -102.20893 1.62257 1.83282 -101.75449 367.93615
6395.0000 -103.74717 -102.04666 1.70051 1.80438 -102.09808 334.55923
6400.0000 -103.78598 -101.79247 1.99351 1.82873 -101.80388 374.92501
6405.0000 -103.95235 -101.55899 2.39337 1.86028 -101.42267 423.36065
6410.0000 -103.90822 -101.73169 2.17653 1.81717 -101.94356 371.04604
6415.0000 -102.91020 -100.24600 2.66419 1.89920 -100.95244 459.32013
6420.0000 -103.86114 -100.62480 3.23633 1.92912 -100.59089 461.52301
6425.0000 -103.49436 -101.13022 2.36413 1.90928 -100.83066 468.00632
6430.0000 -104.21508 -102.31336 1.90173 1.83299 -101.75243 407.39027
6435.0000 -104.21313 -102.45843 1.75471 1.80971 -102.03372 394.02186
6440.0000 -104.55922 -102.02002 2.53920 1.81435 -101.97761 407.96291
6445.0000 -104.11796 -101.67775 2.44021 1.82356 -101.86639 410.34863
6450.0000 -104.39146 -102.26493 2.12654 1.80132 -102.13505 387.74751
6455.0000 -103.95947 -101.99009 1.96938 1.78664 -102.31244 364.23093
6460.0000 -104.60116 -101.89454 2.70662 1.80472 -102.09406 385.50287
6465.0000 -104.22011 -101.92708 2.29303 1.82864 -101.80499 412.39233
6470.0000 -104.01425 -101.46271 2.55154 1.84921 -101.55641 432.83661
6475.0000 -103.98153 -101.97983 2.00170 1.83504 -101.72763 410.69187
6480.0000 -104.32740 -101.74943 2.57797 1.82980 -101.79091 403.78834
6485.0000 -104.58395 -102.61954 1.96441 1.79370 -102.22713 363.65233
6490.0000 -104.31018 -102.48727 1.82291 1.78587 -102.32174 376.52587
6495.0000 -103.53118 -101.63532 1.89586 1.80100 -102.13900 376.51979
6500.0000 -103.09985 -101.47330 1.62655 1.84100 -101.65566 406.68188
FREEZING PROCESS: loop number 27 T-loop= 390.00000000000000
main_MD> interactions number 27 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50128 -0.32155 -1.87733
force_rgl> df(natom) -0.09510 -0.03321 -1.42503
6505.0000 -103.70506 -101.41170 2.29337 1.83795 -101.69245 400.18340
6510.0000 -103.71017 -101.72897 1.98120 1.83611 -101.71476 405.38207
6515.0000 -103.93593 -101.42417 2.51176 1.82098 -101.89748 396.63485
6520.0000 -104.10325 -101.50936 2.59389 1.85320 -101.50825 432.10600
6525.0000 -104.24107 -101.71750 2.52357 1.83595 -101.71670 422.98931
6530.0000 -104.27041 -101.79759 2.47281 1.83826 -101.68871 421.10178
6535.0000 -104.48846 -102.27471 2.21375 1.80888 -102.04380 391.16066
6540.0000 -104.66547 -102.57725 2.08822 1.77351 -102.47110 353.12943
6545.0000 -103.99187 -101.69708 2.29480 1.82732 -101.82091 416.05509
6550.0000 -104.16957 -102.22497 1.94460 1.82197 -101.88557 402.62316
6555.0000 -103.89882 -101.60162 2.29719 1.82663 -101.82924 403.25655
6560.0000 -104.04374 -101.96002 2.08372 1.84592 -101.59614 421.82920
6565.0000 -104.00920 -101.03951 2.96969 1.85389 -101.49990 419.19495
6570.0000 -103.33483 -101.23941 2.09542 1.85808 -101.44928 436.75763
6575.0000 -104.33488 -102.38491 1.94998 1.82757 -101.81787 404.75607
6580.0000 -104.36392 -102.05119 2.31273 1.78147 -102.37498 354.36101
6585.0000 -103.50722 -101.53922 1.96800 1.81898 -101.92172 373.27605
6590.0000 -103.53930 -101.44753 2.09176 1.87094 -101.29384 416.42925
6595.0000 -104.10474 -101.80234 2.30240 1.85444 -101.49325 414.58433
6600.0000 -103.65882 -101.99425 1.66457 1.83768 -101.69570 415.07428
6605.0000 -104.15274 -102.11957 2.03317 1.80592 -102.07948 383.61281
6610.0000 -104.84756 -102.52628 2.32128 1.79039 -102.26716 378.47606
6615.0000 -104.11196 -102.43543 1.67653 1.76471 -102.57745 359.73524
6620.0000 -104.74989 -102.70435 2.04553 1.76703 -102.54935 366.71434
6625.0000 -104.54938 -102.12992 2.41946 1.77427 -102.46192 372.37808
6630.0000 -103.83252 -101.40482 2.42770 1.81255 -101.99940 403.77091
6635.0000 -104.32891 -102.36210 1.96681 1.83312 -101.75087 422.79744
6640.0000 -104.64740 -102.43444 2.21296 1.79067 -102.26378 397.76473
6645.0000 -104.05404 -101.85655 2.19749 1.78584 -102.32211 376.10329
6650.0000 -104.13442 -102.35672 1.77770 1.80529 -102.08711 395.95340
6655.0000 -103.93582 -101.51440 2.42141 1.80617 -102.07652 397.26484
6660.0000 -104.18615 -101.99140 2.19475 1.85107 -101.53400 439.18673
6665.0000 -104.52588 -102.34955 2.17633 1.80334 -102.11072 391.01403
6670.0000 -104.23852 -102.06557 2.17295 1.79706 -102.18651 384.27351
6675.0000 -104.37576 -102.57268 1.80309 1.76595 -102.56247 348.60910
6680.0000 -104.50993 -102.68679 1.82314 1.75881 -102.64875 352.77987
6685.0000 -104.23789 -102.09791 2.13998 1.80459 -102.09552 384.71045
6690.0000 -104.21600 -102.33948 1.87652 1.78425 -102.34137 373.43157
6695.0000 -103.74099 -101.86574 1.87525 1.80589 -102.07988 400.15633
6700.0000 -104.10514 -102.64007 1.46507 1.80264 -102.11908 393.41334
6705.0000 -104.72854 -102.64722 2.08132 1.77157 -102.49449 365.44511
6710.0000 -104.68099 -102.77177 1.90923 1.74901 -102.76712 346.17756
6715.0000 -104.51150 -102.30127 2.21023 1.77710 -102.42775 377.51901
6720.0000 -104.30639 -102.17316 2.13323 1.80335 -102.11058 392.74435
6725.0000 -103.93986 -101.34052 2.59934 1.79780 -102.17762 392.73072
6730.0000 -103.84435 -101.49927 2.34509 1.86298 -101.39004 446.93018
6735.0000 -104.04332 -101.87755 2.16577 1.83624 -101.71312 384.27330
6740.0000 -103.75445 -101.04137 2.71308 1.87099 -101.29333 420.04584
6745.0000 -103.59459 -101.33398 2.26062 1.86816 -101.32752 423.35146
6750.0000 -103.93492 -101.63794 2.29697 1.84517 -101.60529 413.94018
FREEZING PROCESS: loop number 28 T-loop= 365.00000000000000
main_MD> interactions number 28 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81514 -0.84605 1.09494
force_rgl> df(natom) -3.24587 -0.82890 -2.16258
6755.0000 -103.92560 -102.18868 1.73692 1.82273 -101.87637 381.77046
6760.0000 -104.10538 -102.13206 1.97332 1.78808 -102.29508 364.42027
6765.0000 -104.10310 -102.37707 1.72603 1.77796 -102.41730 344.71144
6770.0000 -104.14895 -102.13528 2.01367 1.79625 -102.19640 344.72790
6775.0000 -104.49366 -102.56130 1.93236 1.77522 -102.45050 341.64853
6780.0000 -104.40979 -102.68238 1.72742 1.76706 -102.54902 351.75180
6785.0000 -104.45675 -102.10985 2.34690 1.79019 -102.26959 369.91948
6790.0000 -104.20565 -102.58932 1.61633 1.77232 -102.48552 359.90402
6795.0000 -104.35527 -102.84688 1.50839 1.75938 -102.64179 342.65897
6800.0000 -104.35247 -102.45664 1.89583 1.77551 -102.44691 360.22772
6805.0000 -104.58468 -102.87892 1.70576 1.77701 -102.42879 363.63884
6810.0000 -104.28109 -102.27912 2.00197 1.76491 -102.57501 346.97791
6815.0000 -104.09543 -102.21909 1.87634 1.78601 -102.32005 363.86730
6820.0000 -104.61155 -103.23569 1.37585 1.74676 -102.79438 335.92029
6825.0000 -104.49404 -103.02198 1.47205 1.72387 -103.07094 294.54855
6830.0000 -104.15679 -102.46688 1.68991 1.75091 -102.74414 331.81206
6835.0000 -103.96505 -101.39450 2.57055 1.80576 -102.08149 381.17328
6840.0000 -103.70910 -101.89147 1.81763 1.80389 -102.10404 358.37099
6845.0000 -104.06177 -101.97855 2.08322 1.82025 -101.90637 389.49191
6850.0000 -104.19730 -101.66487 2.53243 1.80636 -102.07414 390.04804
6855.0000 -104.09046 -101.85773 2.23273 1.83092 -101.77740 418.42751
6860.0000 -104.42729 -102.77660 1.65069 1.77509 -102.45201 359.37302
6865.0000 -104.94832 -102.64586 2.30246 1.74749 -102.78546 339.27152
6870.0000 -104.70620 -102.95178 1.75442 1.75605 -102.68209 332.16354
6875.0000 -104.70480 -102.75444 1.95035 1.73886 -102.88971 323.05578
6880.0000 -104.49727 -102.33274 2.16453 1.77118 -102.49922 348.44841
6885.0000 -104.33941 -102.55772 1.78169 1.80870 -102.04590 375.13733
6890.0000 -104.56013 -102.76237 1.79776 1.74147 -102.85819 322.23527
6895.0000 -104.50964 -103.05039 1.45925 1.74511 -102.81423 335.32136
6900.0000 -104.73878 -102.86640 1.87238 1.69795 -103.38404 287.53091
6905.0000 -104.55060 -103.19325 1.35735 1.73203 -102.97232 318.49140
6910.0000 -104.55676 -102.60950 1.94726 1.73818 -102.89795 324.62129
6915.0000 -104.66230 -102.74259 1.91971 1.74285 -102.84159 331.90141
6920.0000 -104.46985 -101.97861 2.49123 1.76378 -102.58864 352.02222
6925.0000 -104.20106 -102.35572 1.84534 1.78768 -102.29984 361.32149
6930.0000 -103.88538 -102.22480 1.66058 1.77742 -102.42382 365.23108
6935.0000 -104.64794 -102.09322 2.55472 1.78783 -102.29811 376.25642
6940.0000 -104.17886 -102.52279 1.65607 1.80705 -102.06587 384.89963
6945.0000 -104.44539 -102.71730 1.72809 1.76536 -102.56953 332.45603
6950.0000 -104.88340 -103.08159 1.80181 1.75310 -102.71774 341.51832
6955.0000 -104.12884 -102.62250 1.50634 1.73637 -102.91985 317.51808
6960.0000 -104.12258 -101.73979 2.38279 1.80818 -102.05219 392.13583
6965.0000 -103.97399 -101.84303 2.13095 1.83359 -101.74516 420.59509
6970.0000 -104.50791 -102.80363 1.70429 1.80691 -102.06754 364.71892
6975.0000 -104.45532 -102.41349 2.04182 1.75539 -102.69003 332.28707
6980.0000 -103.94614 -101.87870 2.06745 1.78981 -102.27419 371.35442
6985.0000 -104.10191 -102.54984 1.55207 1.81548 -101.96394 383.75308
6990.0000 -104.17096 -102.38264 1.78832 1.77662 -102.43355 363.28293
6995.0000 -104.34621 -101.98804 2.35817 1.79101 -102.25970 374.29432
7000.0000 -104.02435 -102.09157 1.93278 1.82534 -101.84490 388.50664
FREEZING PROCESS: loop number 29 T-loop= 340.00000000000000
main_MD> interactions number 29 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35006 -0.65479 1.34757
force_rgl> df(natom) 0.91501 -1.31951 1.23421
7005.0000 -104.27716 -102.46455 1.81262 1.81398 -101.98212 380.46967
7010.0000 -104.31931 -102.41506 1.90425 1.75947 -102.64077 322.42221
7015.0000 -104.22281 -102.84749 1.37531 1.76041 -102.62933 319.10361
7020.0000 -104.35380 -102.59619 1.75761 1.77276 -102.48022 336.95201
7025.0000 -104.26623 -102.60742 1.65881 1.77927 -102.40152 362.21526
7030.0000 -104.34734 -102.73518 1.61216 1.74200 -102.85186 318.89278
7035.0000 -104.23391 -102.35765 1.87625 1.77713 -102.42741 353.66082
7040.0000 -104.57791 -102.90057 1.67734 1.76279 -102.60066 339.71512
7045.0000 -104.36099 -102.82841 1.53259 1.72515 -103.05539 307.08732
7050.0000 -104.64414 -102.75041 1.89373 1.74480 -102.81799 307.45118
7055.0000 -104.03237 -102.14877 1.88360 1.78296 -102.35687 342.23048
7060.0000 -104.02083 -101.94638 2.07444 1.79202 -102.24751 346.00069
7065.0000 -104.28568 -102.68373 1.60194 1.79106 -102.25910 354.92515
7070.0000 -104.34552 -102.69606 1.64945 1.76311 -102.59671 341.88562
7075.0000 -104.27057 -102.41623 1.85434 1.76309 -102.59704 345.96163
7080.0000 -104.22667 -102.28336 1.94331 1.77986 -102.39438 364.04373
7085.0000 -104.39902 -102.30526 2.09376 1.77058 -102.50655 342.13609
7090.0000 -104.32694 -102.47974 1.84721 1.76238 -102.60554 330.47579
7095.0000 -104.54674 -102.67235 1.87439 1.74850 -102.77333 325.77719
7100.0000 -104.89734 -103.15477 1.74257 1.75000 -102.75518 326.28869
7105.0000 -104.31980 -102.48032 1.83949 1.73377 -102.95130 312.89373
7110.0000 -104.70883 -102.88756 1.82126 1.73505 -102.93577 312.58536
7115.0000 -104.55553 -102.21454 2.34098 1.76553 -102.56758 355.24770
7120.0000 -104.23989 -102.48052 1.75937 1.78968 -102.27578 371.34919
7125.0000 -104.39684 -102.28840 2.10843 1.75366 -102.71089 336.17034
7130.0000 -103.91049 -101.99045 1.92004 1.81085 -102.01997 374.61871
7135.0000 -104.33333 -102.33710 1.99623 1.79441 -102.21852 375.45307
7140.0000 -104.36345 -102.48854 1.87491 1.78191 -102.36955 362.61356
7145.0000 -104.64272 -102.63786 2.00486 1.76965 -102.51775 350.49167
7150.0000 -104.85494 -103.09486 1.76008 1.73906 -102.88740 324.43969
7155.0000 -104.70797 -102.47104 2.23693 1.75640 -102.67787 339.73447
7160.0000 -104.72628 -102.67463 2.05165 1.76387 -102.58752 346.03576
7165.0000 -104.18675 -102.63310 1.55365 1.75646 -102.67709 339.06461
7170.0000 -104.20580 -102.46654 1.73926 1.76974 -102.51670 352.68909
7175.0000 -104.34343 -102.51331 1.83012 1.78377 -102.34714 373.20247
7180.0000 -103.89679 -102.07576 1.82102 1.78099 -102.38072 361.22065
7185.0000 -104.29392 -102.27016 2.02376 1.77343 -102.47204 345.31467
7190.0000 -103.86362 -101.98719 1.87643 1.79732 -102.18337 364.38851
7195.0000 -103.79922 -102.23745 1.56177 1.81616 -101.95575 372.37583
7200.0000 -104.33906 -102.57007 1.76900 1.80544 -102.08530 366.86455
7205.0000 -104.35996 -102.40803 1.95194 1.78809 -102.29497 348.64661
7210.0000 -104.20270 -102.09078 2.11192 1.78682 -102.31024 348.87286
7215.0000 -104.49314 -102.50489 1.98824 1.78654 -102.31370 340.00955
7220.0000 -104.18303 -102.36803 1.81500 1.76907 -102.52481 332.79252
7225.0000 -104.70618 -102.98126 1.72492 1.74607 -102.80270 305.70895
7230.0000 -104.29767 -102.47941 1.81827 1.76367 -102.58999 321.35378
7235.0000 -104.42228 -102.32996 2.09231 1.78287 -102.35795 345.01655
7240.0000 -104.47667 -102.65917 1.81750 1.77691 -102.43007 342.98526
7245.0000 -104.44254 -102.87152 1.57102 1.75154 -102.73658 335.26950
7250.0000 -104.39744 -102.95967 1.43777 1.74427 -102.82444 327.75196
FREEZING PROCESS: loop number 30 T-loop= 315.00000000000000
main_MD> interactions number 30 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71287 -0.56005 1.40048
force_rgl> df(natom) 2.71100 -1.38027 -0.78523
7255.0000 -104.64310 -103.02504 1.61806 1.73854 -102.89363 315.56712
7260.0000 -104.85667 -103.19252 1.66415 1.72063 -103.11002 301.50785
7265.0000 -104.76553 -103.01924 1.74629 1.72828 -103.01764 308.06932
7270.0000 -104.71962 -102.54732 2.17230 1.73155 -102.97808 312.96107
7275.0000 -104.67099 -102.99949 1.67150 1.75740 -102.66573 346.69127
7280.0000 -104.89731 -103.16830 1.72901 1.73214 -102.97091 315.54291
7285.0000 -105.07419 -103.56592 1.50827 1.68984 -103.48208 275.26155
7290.0000 -105.01083 -103.56117 1.44966 1.68542 -103.53553 266.89109
7295.0000 -104.66932 -102.95248 1.71684 1.69517 -103.41761 280.84504
7300.0000 -104.69920 -103.22611 1.47309 1.71404 -103.18963 300.84361
7305.0000 -104.63433 -103.32374 1.31059 1.69776 -103.38634 281.81224
7310.0000 -104.19666 -102.55008 1.64658 1.73354 -102.95410 320.16479
7315.0000 -104.58220 -102.71556 1.86665 1.74480 -102.81798 337.27794
7320.0000 -104.71848 -103.03393 1.68454 1.73350 -102.95459 319.54920
7325.0000 -104.38858 -102.69914 1.68944 1.73808 -102.89923 322.19252
7330.0000 -105.09490 -103.53374 1.56116 1.73371 -102.95194 315.74869
7335.0000 -104.30848 -102.92733 1.38115 1.73862 -102.89261 325.42653
7340.0000 -104.41649 -102.25071 2.16577 1.77002 -102.51331 357.15428
7345.0000 -104.90803 -103.07602 1.83201 1.75765 -102.66279 340.81098
7350.0000 -104.75440 -103.13474 1.61965 1.71934 -103.12563 286.64019
7355.0000 -104.76353 -103.05504 1.70849 1.72528 -103.05383 307.66137
7360.0000 -105.16321 -103.64488 1.51833 1.68976 -103.48308 271.09833
7365.0000 -105.01821 -103.50125 1.51696 1.69092 -103.46903 269.96426
7370.0000 -104.61038 -103.18200 1.42838 1.69426 -103.42870 279.10937
7375.0000 -104.82220 -103.02856 1.79364 1.71262 -103.20677 301.31647
7380.0000 -104.56973 -102.64068 1.92905 1.74749 -102.78547 335.75354
7385.0000 -104.89741 -102.41850 2.47891 1.78208 -102.36752 367.93357
7390.0000 -104.55601 -102.66083 1.89518 1.77724 -102.42599 352.49394
7395.0000 -104.74300 -103.35531 1.38768 1.73182 -102.97488 310.48642
7400.0000 -104.80269 -103.29646 1.50623 1.70498 -103.29915 280.66596
7405.0000 -104.70606 -103.22928 1.47678 1.70128 -103.34380 276.33198
7410.0000 -104.52797 -102.89612 1.63185 1.75518 -102.69260 338.75338
7415.0000 -104.97851 -103.19176 1.78675 1.74599 -102.80368 323.90470
7420.0000 -104.72286 -103.23490 1.48796 1.71881 -103.13201 297.98126
7425.0000 -104.81218 -103.35158 1.46060 1.71794 -103.14258 295.08247
7430.0000 -104.85629 -103.38141 1.47487 1.70113 -103.34561 282.25537
7435.0000 -104.65337 -102.70540 1.94796 1.73071 -102.98819 314.12804
7440.0000 -104.77248 -103.23084 1.54165 1.74014 -102.87436 324.80986
7445.0000 -104.47487 -102.87293 1.60194 1.73825 -102.89712 314.06878
7450.0000 -105.13986 -103.13817 2.00168 1.73748 -102.90649 322.54447
7455.0000 -104.80774 -103.24271 1.56504 1.72315 -103.07961 297.89622
7460.0000 -104.80144 -103.20459 1.59685 1.70823 -103.25985 287.99012
7465.0000 -104.45911 -102.88806 1.57105 1.73062 -102.98936 305.44617
7470.0000 -104.36905 -102.68491 1.68414 1.75332 -102.71503 333.12587
7475.0000 -104.64571 -103.01499 1.63072 1.74929 -102.76372 334.91403
7480.0000 -104.55135 -103.17939 1.37196 1.73510 -102.93519 305.16868
7485.0000 -104.21067 -102.70966 1.50101 1.74861 -102.77193 334.82913
7490.0000 -104.74466 -103.06528 1.67938 1.74856 -102.77261 323.73980
7495.0000 -104.40106 -102.65385 1.74720 1.73699 -102.91239 306.98504
7500.0000 -104.71112 -102.81918 1.89194 1.76235 -102.60591 342.92681
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 6 [min], 34.4611345 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink