tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_74/freeze.log

2089 lines
206 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_74.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 = 74 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 74 7400
main_MD> Size of nv and nvoiz: 74 7400
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 = 74
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> 0.16249733077133946 3.1486726307289777E-002 -7.1928786866686120E-002 initial drift of cluster / NP1 for coalescence
init> 0.31580184093729735 0.34569779541739182 0.27900767721332248 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7577740037471690E-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) 0.92713 -0.56256 -0.69372
force_rgl> df(natom) 1.06247 4.66773 -1.28235
preparo> THERMALIZATION PROCESS AT 1226.3434540070602
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -155.93051384776908 14.903094230602077 -170.83360807837116 7.4910796100936274E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1200.0000000000000
main_MD> interactions number 1 at Temperature= 1200.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12284 -3.16608 -1.96402
force_rgl> df(natom) -1.31408 -0.41561 -0.60643
5.0000 -171.44511 -158.95777 12.48734 3.43980 -157.67004 1390.54444
10.0000 -173.30776 -160.52162 12.78614 3.34900 -159.27041 1340.33177
15.0000 -172.78772 -157.94625 14.84147 3.35682 -159.13265 1309.14241
20.0000 -173.53339 -162.95447 10.57892 3.24919 -161.02960 1286.50110
25.0000 -174.33206 -163.12325 11.20881 3.13148 -163.10449 1205.30161
30.0000 -173.60677 -162.16914 11.43763 3.16410 -162.52951 1204.77154
35.0000 -173.19703 -161.95018 11.24685 3.12541 -163.21152 1149.97975
40.0000 -173.13085 -161.86670 11.26414 3.21994 -161.54530 1205.70265
45.0000 -173.10402 -161.41746 11.68655 3.18054 -162.23964 1223.12108
50.0000 -174.44128 -162.45138 11.98990 3.20734 -161.76742 1242.62725
55.0000 -173.33406 -161.98392 11.35013 3.20645 -161.78303 1211.54518
60.0000 -174.41318 -163.61396 10.79922 3.21625 -161.61034 1229.42631
65.0000 -172.78153 -159.64275 13.13878 3.18670 -162.13106 1255.67686
70.0000 -170.96890 -160.07981 10.88908 3.31315 -159.90228 1285.59437
75.0000 -174.62499 -160.77693 13.84806 3.32854 -159.63105 1353.40879
80.0000 -173.74407 -161.91734 11.82673 3.24888 -161.03519 1262.09126
85.0000 -174.59508 -161.92642 12.66866 3.23364 -161.30369 1232.55320
90.0000 -175.94971 -164.47984 11.46987 3.11326 -163.42561 1190.89530
95.0000 -176.87566 -165.23270 11.64296 3.00083 -165.40720 1095.21100
100.0000 -176.00662 -165.74972 10.25690 3.00346 -165.36095 1131.36776
105.0000 -175.52786 -165.37513 10.15273 2.98673 -165.65585 1084.15870
110.0000 -171.64841 -160.87064 10.77777 3.14946 -162.78755 1228.78324
115.0000 -173.89181 -161.54870 12.34311 3.23052 -161.35881 1227.95718
120.0000 -173.01195 -162.43513 10.57682 3.17557 -162.32725 1227.06734
125.0000 -175.21060 -163.92892 11.28169 3.12703 -163.18289 1190.35390
130.0000 -173.73823 -162.80478 10.93345 3.14127 -162.93196 1183.71448
135.0000 -173.71987 -163.77711 9.94276 3.13239 -163.08832 1202.41718
140.0000 -174.34266 -162.80166 11.54100 3.10415 -163.58613 1141.94841
145.0000 -173.87475 -163.47931 10.39544 3.10484 -163.57395 1149.89453
150.0000 -173.71783 -162.56014 11.15768 3.09434 -163.75913 1181.66695
155.0000 -173.60838 -160.98538 12.62300 3.14234 -162.91310 1185.39763
160.0000 -173.72695 -161.56134 12.16561 3.26599 -160.73354 1311.88638
165.0000 -175.47382 -163.22734 12.24648 3.17148 -162.39940 1244.42635
170.0000 -175.36678 -164.75463 10.61215 3.04571 -164.61628 1159.48755
175.0000 -175.71322 -165.01022 10.70300 3.03770 -164.75737 1142.88038
180.0000 -173.68912 -161.09843 12.59069 3.09202 -163.79994 1153.64616
185.0000 -175.29304 -163.03071 12.26233 3.20544 -161.80090 1230.88648
190.0000 -174.95132 -164.19673 10.75459 3.10311 -163.60456 1185.02035
195.0000 -175.48808 -165.53675 9.95132 3.00748 -165.29009 1106.28679
200.0000 -176.82799 -166.35449 10.47351 2.95365 -166.23895 1052.37016
205.0000 -175.41245 -164.50533 10.90712 3.01566 -165.14585 1105.52819
210.0000 -174.63578 -163.07930 11.55648 3.08770 -163.87609 1182.48746
215.0000 -173.03215 -159.82422 13.20793 3.23266 -161.32102 1258.02247
220.0000 -173.97328 -162.31471 11.65857 3.27424 -160.58808 1263.05109
225.0000 -176.65652 -165.44430 11.21222 3.10028 -163.65440 1168.51017
230.0000 -175.50935 -164.20414 11.30521 3.00139 -165.39749 1109.94704
235.0000 -174.69523 -163.40428 11.29095 3.15777 -162.64098 1189.24006
240.0000 -173.07194 -161.68278 11.38916 3.12055 -163.29707 1181.92737
245.0000 -172.86962 -160.22848 12.64114 3.18495 -162.16191 1180.13247
250.0000 -173.08049 -162.21299 10.86749 3.18542 -162.15369 1217.19547
FREEZING PROCESS: loop number 2 T-loop= 1175.0000000000000
main_MD> interactions number 2 at Temperature= 1175.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.18719 -11.75006 -13.44761
force_rgl> df(natom) -0.55498 0.28333 1.84909
255.0000 -171.17971 -159.54030 11.63942 3.23042 -161.36059 1233.19559
260.0000 -174.17343 -162.01174 12.16169 3.27000 -160.66292 1249.27274
265.0000 -175.87998 -163.94879 11.93119 3.10486 -163.57373 1174.83913
270.0000 -175.30176 -165.98446 9.31730 3.00710 -165.29675 1108.86490
275.0000 -175.30258 -163.75636 11.54623 3.05244 -164.49763 1139.02295
280.0000 -176.58719 -163.77041 12.81678 3.10752 -163.52677 1172.78985
285.0000 -175.59774 -164.19920 11.39854 3.11166 -163.45378 1183.35026
290.0000 -176.04651 -165.01289 11.03361 3.02726 -164.94145 1100.84927
295.0000 -173.90152 -163.56973 10.33179 3.07663 -164.07125 1131.47116
300.0000 -173.98793 -161.97140 12.01653 3.14850 -162.80446 1159.25867
305.0000 -172.03416 -159.67756 12.35659 3.34703 -159.30518 1321.09057
310.0000 -172.96736 -162.67163 10.29573 3.18397 -162.17918 1188.35648
315.0000 -174.46188 -160.75746 13.70442 3.21880 -161.56531 1260.63819
320.0000 -173.32390 -161.51412 11.80978 3.20257 -161.85146 1240.87843
325.0000 -173.56709 -162.10406 11.46303 3.25573 -160.91432 1254.54534
330.0000 -174.29587 -164.17619 10.11968 3.19431 -161.99696 1220.25716
335.0000 -172.84520 -161.25778 11.58742 3.08063 -164.00070 1166.03874
340.0000 -174.21223 -160.69776 13.51447 3.21246 -161.67703 1241.28838
345.0000 -172.53611 -159.93549 12.60062 3.29716 -160.18412 1304.08825
350.0000 -174.46265 -163.00018 11.46247 3.16745 -162.47039 1217.27399
355.0000 -174.37189 -162.27818 12.09372 3.10731 -163.53047 1156.96513
360.0000 -172.69638 -160.81604 11.88034 3.14699 -162.83111 1187.65560
365.0000 -173.41381 -162.14031 11.27349 3.22499 -161.45615 1214.69573
370.0000 -175.86623 -164.20808 11.65815 3.07727 -164.06004 1158.55491
375.0000 -173.42033 -162.29050 11.12983 3.05878 -164.38577 1151.97532
380.0000 -171.71398 -160.52257 11.19141 3.21079 -161.70647 1235.87909
385.0000 -172.58018 -160.96689 11.61329 3.31618 -159.84886 1287.88315
390.0000 -173.85722 -160.70749 13.14973 3.29613 -160.20236 1289.01853
395.0000 -174.76381 -164.46614 10.29766 3.19537 -161.97830 1233.53161
400.0000 -173.15265 -162.89718 10.25546 3.09691 -163.71384 1138.01517
405.0000 -175.72938 -165.59499 10.13438 3.03972 -164.72177 1131.18136
410.0000 -175.52046 -163.14635 12.37411 3.06206 -164.32812 1163.49008
415.0000 -174.74914 -163.01112 11.73802 3.13760 -162.99650 1185.90769
420.0000 -174.39202 -163.53374 10.85829 3.13042 -163.12313 1160.06202
425.0000 -175.67390 -163.69881 11.97510 3.10937 -163.49410 1151.64445
430.0000 -175.81733 -164.59808 11.21925 3.00543 -165.32629 1098.82466
435.0000 -175.20112 -162.72866 12.47246 3.10786 -163.52069 1188.12383
440.0000 -174.43095 -164.49206 9.93889 3.06492 -164.27764 1123.47842
445.0000 -174.19157 -163.01850 11.17307 3.06664 -164.24725 1129.93932
450.0000 -173.69963 -162.48850 11.21112 3.16324 -162.54468 1202.47523
455.0000 -173.81471 -162.98322 10.83149 3.18622 -162.13958 1229.41113
460.0000 -175.45027 -165.80839 9.64189 3.06707 -164.23972 1132.34256
465.0000 -174.67999 -163.36375 11.31624 3.06825 -164.21897 1108.81641
470.0000 -174.32761 -163.66861 10.65901 3.15953 -162.61009 1197.89073
475.0000 -174.07174 -162.24010 11.83163 3.18222 -162.21003 1204.18313
480.0000 -172.22526 -159.60793 12.61733 3.25213 -160.97785 1285.84493
485.0000 -172.26035 -161.15739 11.10296 3.32928 -159.61797 1300.63029
490.0000 -172.30261 -160.59740 11.70522 3.24971 -161.02052 1258.48754
495.0000 -174.01566 -161.30007 12.71559 3.24536 -161.09727 1252.91979
500.0000 -174.08028 -161.44826 12.63202 3.19061 -162.06215 1234.29113
FREEZING PROCESS: loop number 3 T-loop= 1150.0000000000000
main_MD> interactions number 3 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.53556 1.74489 1.55625
force_rgl> df(natom) 8.53851 5.15381 -0.55214
505.0000 -175.15302 -163.72910 11.42393 3.21342 -161.66010 1251.21542
510.0000 -175.75992 -165.45458 10.30534 3.03943 -164.72688 1121.32305
515.0000 -177.11969 -164.68856 12.43113 2.99486 -165.51244 1060.85039
520.0000 -175.14063 -163.82796 11.31266 3.05124 -164.51878 1155.45191
525.0000 -174.63252 -164.95620 9.67632 3.04125 -164.69477 1135.13480
530.0000 -175.03811 -164.38119 10.65692 3.03454 -164.81304 1146.18577
535.0000 -175.84467 -163.67607 12.16860 3.09181 -163.80361 1122.93987
540.0000 -174.36685 -163.20553 11.16132 3.11056 -163.47317 1166.08141
545.0000 -174.28621 -164.76647 9.51973 3.07283 -164.13821 1118.90477
550.0000 -174.07494 -163.41225 10.66268 3.08979 -163.83936 1148.63825
555.0000 -175.50635 -163.71353 11.79283 3.05707 -164.41607 1133.13768
560.0000 -175.41393 -163.27034 12.14360 3.08005 -164.01100 1141.56488
565.0000 -174.15401 -162.24005 11.91396 3.15404 -162.70687 1192.41910
570.0000 -174.43101 -162.79737 11.63364 3.08438 -163.93470 1146.41702
575.0000 -175.34543 -163.55285 11.79258 3.18837 -162.10178 1201.52251
580.0000 -174.12451 -163.21204 10.91248 3.12675 -163.18773 1192.14096
585.0000 -175.55195 -165.13354 10.41841 3.08492 -163.92510 1174.76899
590.0000 -174.65496 -164.05503 10.59993 3.03927 -164.72979 1133.47057
595.0000 -174.69838 -162.76668 11.93170 3.06909 -164.20410 1157.44016
600.0000 -175.76997 -163.39846 12.37151 3.16756 -162.46848 1190.09835
605.0000 -174.39675 -162.51182 11.88493 3.12085 -163.29175 1168.00154
610.0000 -171.74521 -160.24592 11.49929 3.19563 -161.97370 1219.49326
615.0000 -172.62457 -162.35246 10.27211 3.20378 -161.83014 1246.76247
620.0000 -172.67071 -161.83979 10.83092 3.19549 -161.97627 1200.16410
625.0000 -173.46891 -160.79509 12.67382 3.17887 -162.26910 1225.02319
630.0000 -173.68772 -162.08668 11.60104 3.16475 -162.51810 1188.88158
635.0000 -175.08131 -164.08600 10.99531 3.14871 -162.80083 1188.98659
640.0000 -176.90047 -164.89506 12.00540 3.02833 -164.92263 1129.01073
645.0000 -174.42485 -163.45592 10.96893 3.06350 -164.30267 1142.53732
650.0000 -173.69889 -163.91034 9.78855 3.05141 -164.51584 1124.30572
655.0000 -174.66798 -162.54760 12.12038 3.08903 -163.85259 1185.22853
660.0000 -176.31439 -165.77141 10.54298 3.17132 -162.40221 1240.66114
665.0000 -175.57704 -164.71783 10.85921 3.03462 -164.81164 1116.06347
670.0000 -175.91494 -163.53477 12.38017 3.02845 -164.92038 1136.15748
675.0000 -174.79548 -165.43200 9.36348 3.06786 -164.22575 1157.78160
680.0000 -174.50802 -162.66623 11.84179 3.08131 -163.98874 1118.56674
685.0000 -174.90644 -164.20398 10.70246 3.10985 -163.48577 1185.62359
690.0000 -175.70698 -164.23201 11.47497 3.07356 -164.12528 1145.13674
695.0000 -175.05910 -164.32052 10.73859 3.08805 -163.87001 1162.25886
700.0000 -175.19218 -166.04521 9.14697 2.97400 -165.88012 1075.79535
705.0000 -172.79917 -163.20821 9.59096 3.03414 -164.82021 1121.24500
710.0000 -174.10017 -163.82941 10.27076 3.12908 -163.14667 1154.89285
715.0000 -177.26372 -166.77984 10.48388 3.00665 -165.30462 1094.62376
720.0000 -176.65996 -167.49404 9.16591 2.92638 -166.71952 1039.05048
725.0000 -176.81860 -164.15084 12.66776 2.98498 -165.68669 1094.83640
730.0000 -175.61734 -164.75034 10.86699 3.04700 -164.59344 1145.31204
735.0000 -174.25238 -162.93876 11.31363 3.01457 -165.16514 1110.54258
740.0000 -173.28077 -162.88249 10.39828 3.10431 -163.58335 1152.19016
745.0000 -172.64826 -162.40617 10.24208 3.07182 -164.15598 1137.31893
750.0000 -173.94485 -162.42006 11.52480 3.21134 -161.69687 1229.73712
FREEZING PROCESS: loop number 4 T-loop= 1125.0000000000000
main_MD> interactions number 4 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.27594 0.92536 0.78627
force_rgl> df(natom) -3.32889 -2.00535 2.52929
755.0000 -173.93626 -162.50689 11.42937 3.21863 -161.56825 1221.09907
760.0000 -176.27582 -163.89934 12.37648 3.12426 -163.23164 1191.32479
765.0000 -178.00481 -166.22283 11.78199 3.08843 -163.86319 1153.61619
770.0000 -177.70564 -166.70748 10.99816 2.95538 -166.20836 1084.94838
775.0000 -176.14948 -165.92577 10.22371 2.95376 -166.23698 1071.16406
780.0000 -174.62992 -163.81987 10.81005 2.99474 -165.51454 1125.31748
785.0000 -175.92911 -164.75526 11.17386 3.09941 -163.66965 1165.04854
790.0000 -174.10549 -163.47462 10.63087 3.09096 -163.81873 1176.42612
795.0000 -175.54506 -165.22324 10.32181 3.07294 -164.13619 1144.74887
800.0000 -174.71922 -162.54571 12.17351 3.06035 -164.35817 1110.69998
805.0000 -177.25216 -165.58167 11.67048 3.02977 -164.89719 1105.36389
810.0000 -175.66342 -164.72733 10.93610 3.06148 -164.33830 1136.03478
815.0000 -174.91089 -164.36388 10.54702 3.03761 -164.75893 1131.57229
820.0000 -174.22366 -165.20127 9.02238 3.06066 -164.35271 1164.38691
825.0000 -175.75734 -165.52433 10.23301 2.99707 -165.47348 1095.61360
830.0000 -175.82565 -165.90419 9.92145 2.96135 -166.10313 1080.20244
835.0000 -175.05486 -165.36527 9.68959 3.00588 -165.31820 1094.02045
840.0000 -175.77979 -165.16015 10.61964 3.03786 -164.75462 1110.24214
845.0000 -175.46507 -165.79632 9.66875 2.93969 -166.48487 1071.58621
850.0000 -173.83714 -160.77820 13.05894 3.11929 -163.31930 1204.90087
855.0000 -175.70901 -162.91218 12.79683 3.15332 -162.71954 1222.22622
860.0000 -176.74877 -165.71159 11.03718 3.10129 -163.63649 1169.47609
865.0000 -174.92694 -162.72214 12.20480 3.07699 -164.06493 1137.53963
870.0000 -174.42259 -163.25767 11.16492 3.07063 -164.17697 1136.45560
875.0000 -171.67106 -160.63738 11.03368 3.14483 -162.86912 1185.09344
880.0000 -173.15745 -162.55650 10.60095 3.24545 -161.09562 1269.09814
885.0000 -177.02915 -164.02787 13.00127 3.09938 -163.67024 1202.93162
890.0000 -175.80269 -163.83612 11.96658 3.05526 -164.44785 1158.98792
895.0000 -175.18423 -162.82813 12.35610 3.06779 -164.22696 1147.07957
900.0000 -174.43901 -162.59317 11.84583 3.15609 -162.67071 1198.44920
905.0000 -173.80724 -163.61562 10.19163 3.15483 -162.69289 1192.26797
910.0000 -178.21821 -168.01093 10.20728 3.02381 -165.00220 1109.25359
915.0000 -175.90012 -166.30752 9.59260 2.90928 -167.02094 1028.99513
920.0000 -175.81990 -165.82555 9.99435 2.99510 -165.50834 1070.72552
925.0000 -173.61564 -162.19438 11.42126 3.10908 -163.49935 1181.39314
930.0000 -174.29355 -165.16004 9.13351 3.08883 -163.85623 1174.09822
935.0000 -174.97081 -165.41334 9.55747 3.04091 -164.70089 1119.73319
940.0000 -175.30903 -166.29583 9.01319 2.98151 -165.74782 1114.99902
945.0000 -175.54292 -164.69483 10.84809 2.98931 -165.61025 1122.08804
950.0000 -175.00358 -164.24253 10.76106 3.03801 -164.75187 1145.13784
955.0000 -175.00261 -163.76967 11.23294 3.07645 -164.07437 1201.38934
960.0000 -177.74769 -165.52909 12.21860 3.06544 -164.26845 1159.50563
965.0000 -174.93752 -165.28557 9.65195 3.04322 -164.66006 1097.92741
970.0000 -173.51145 -163.25103 10.26043 3.06773 -164.22803 1133.60495
975.0000 -172.41500 -162.50258 9.91242 3.11928 -163.31950 1165.87875
980.0000 -173.01482 -161.94104 11.07378 3.12190 -163.27336 1204.87593
985.0000 -175.84095 -163.65777 12.18318 3.17041 -162.41819 1204.45486
990.0000 -174.46135 -163.69349 10.76786 3.11545 -163.38699 1193.75172
995.0000 -175.31471 -163.36948 11.94523 3.09332 -163.77698 1161.45422
1000.0000 -174.62962 -164.27958 10.35004 3.13184 -163.09817 1171.33464
FREEZING PROCESS: loop number 5 T-loop= 1100.0000000000000
main_MD> interactions number 5 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.35619 -1.45189 3.41023
force_rgl> df(natom) -0.21551 -0.06376 -5.21871
1005.0000 -175.61591 -163.09853 12.51738 3.02365 -165.00502 1123.77090
1010.0000 -175.91105 -165.74303 10.16802 3.02685 -164.94857 1124.15610
1015.0000 -177.45267 -167.57119 9.88148 2.95595 -166.19827 1096.27540
1020.0000 -174.93761 -166.30844 8.62917 2.89443 -167.28271 1037.48053
1025.0000 -176.67563 -165.33261 11.34302 2.94913 -166.31862 1101.31649
1030.0000 -176.51481 -164.68660 11.82821 2.98510 -165.68447 1084.68616
1035.0000 -173.98894 -163.19642 10.79252 3.07184 -164.15564 1156.09456
1040.0000 -175.41203 -164.96227 10.44975 3.03005 -164.89221 1147.45527
1045.0000 -175.42359 -164.44237 10.98122 3.09984 -163.66212 1188.90630
1050.0000 -175.67917 -164.87704 10.80214 3.05780 -164.40305 1108.13502
1055.0000 -174.78756 -163.20201 11.58556 3.02064 -165.05812 1118.69292
1060.0000 -173.96738 -162.05451 11.91288 3.19196 -162.03849 1234.08568
1065.0000 -176.50536 -166.52634 9.97902 3.07687 -164.06700 1137.98757
1070.0000 -174.31914 -163.66644 10.65270 2.97345 -165.88991 1069.71110
1075.0000 -177.02090 -165.69444 11.32646 3.04784 -164.57862 1143.08095
1080.0000 -175.46412 -165.31226 10.15186 3.02699 -164.94611 1130.21845
1085.0000 -174.93927 -166.72702 8.21225 2.99403 -165.52710 1097.38438
1090.0000 -176.50234 -165.31920 11.18314 3.01045 -165.23774 1082.20249
1095.0000 -176.90032 -165.43122 11.46909 3.00885 -165.26586 1103.02870
1100.0000 -175.01864 -164.12854 10.89010 3.01409 -165.17361 1116.62381
1105.0000 -174.49010 -161.82518 12.66492 3.13599 -163.02492 1184.08014
1110.0000 -173.39901 -161.76241 11.63660 3.15440 -162.70043 1184.41855
1115.0000 -174.59395 -163.84142 10.75254 3.20928 -161.73311 1227.84922
1120.0000 -174.46167 -163.95562 10.50605 3.10708 -163.53457 1156.99702
1125.0000 -174.86081 -164.13933 10.72148 3.14320 -162.89787 1198.78869
1130.0000 -172.40259 -163.10168 9.30091 3.08319 -163.95558 1127.73788
1135.0000 -174.39067 -165.09515 9.29552 3.02236 -165.02777 1082.61536
1140.0000 -175.17814 -164.76766 10.41048 2.98664 -165.65735 1069.16356
1145.0000 -176.30153 -165.86787 10.43366 3.02509 -164.97971 1109.13393
1150.0000 -176.04825 -165.59834 10.44990 2.99333 -165.53951 1108.87916
1155.0000 -174.95894 -164.14123 10.81771 3.00824 -165.27667 1122.82380
1160.0000 -176.89712 -166.19933 10.69779 2.98921 -165.61211 1073.80492
1165.0000 -175.69121 -167.09091 8.60031 2.92395 -166.76238 1033.28344
1170.0000 -177.22101 -167.37050 9.85051 2.96056 -166.11707 1078.96790
1175.0000 -175.90497 -164.97044 10.93453 2.96852 -165.97673 1074.35063
1180.0000 -175.07996 -165.00056 10.07941 3.00866 -165.26924 1099.02253
1185.0000 -176.86145 -166.04616 10.81528 2.96518 -166.03566 1077.90917
1190.0000 -176.11509 -165.36302 10.75207 3.05449 -164.46145 1152.68145
1195.0000 -176.44400 -166.31111 10.13289 2.96583 -166.02424 1063.56204
1200.0000 -175.92328 -165.68780 10.23548 2.96878 -165.97214 1085.46242
1205.0000 -175.59127 -165.11680 10.47447 3.01341 -165.18555 1110.60954
1210.0000 -174.02000 -162.76136 11.25864 3.07093 -164.17172 1146.78314
1215.0000 -174.90297 -163.99599 10.90699 3.17867 -162.27265 1186.05727
1220.0000 -176.37416 -166.35727 10.01689 3.04568 -164.61671 1115.03656
1225.0000 -177.57160 -166.80819 10.76342 2.88908 -167.37707 1009.75799
1230.0000 -177.52386 -167.36381 10.16005 2.90737 -167.05469 1037.27036
1235.0000 -177.31510 -168.45585 8.85925 2.82431 -168.51870 973.80141
1240.0000 -177.66453 -168.55918 9.10535 2.85052 -168.05666 964.92764
1245.0000 -173.83203 -162.73812 11.09392 2.96550 -166.03004 1026.05762
1250.0000 -174.95489 -164.72144 10.23345 3.10960 -163.49013 1168.35362
FREEZING PROCESS: loop number 6 T-loop= 1075.0000000000000
main_MD> interactions number 6 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31321 1.74159 -1.91899
force_rgl> df(natom) -2.59156 1.82349 0.19321
1255.0000 -177.38845 -168.15401 9.23443 2.94074 -166.46641 1050.17812
1260.0000 -175.38730 -166.07179 9.31551 2.95770 -166.16756 1062.84440
1265.0000 -176.15290 -165.06615 11.08675 3.02069 -165.05723 1117.71186
1270.0000 -174.39367 -165.24373 9.14993 2.99714 -165.47229 1023.95282
1275.0000 -176.89422 -167.71680 9.17741 2.93564 -166.55634 1037.38475
1280.0000 -178.08635 -167.18671 10.89964 2.88670 -167.41897 1006.78437
1285.0000 -176.60026 -166.46514 10.13512 2.95407 -166.23146 1065.63121
1290.0000 -179.48641 -169.16493 10.32149 2.88673 -167.41850 1063.69471
1295.0000 -175.08345 -165.34404 9.73941 2.86825 -167.74407 1004.58580
1300.0000 -177.85380 -168.35643 9.49737 2.90757 -167.05110 1048.67027
1305.0000 -176.07693 -167.45516 8.62177 2.85717 -167.93940 1024.00812
1310.0000 -176.90175 -167.26182 9.63993 2.88245 -167.49388 1031.35180
1315.0000 -176.40738 -166.56218 9.84520 2.89526 -167.26806 1007.36286
1320.0000 -176.22494 -164.16516 12.05978 3.03546 -164.79688 1121.87952
1325.0000 -175.67695 -164.19183 11.48512 3.10935 -163.49444 1170.73911
1330.0000 -176.51174 -166.67257 9.83916 3.05009 -164.53910 1110.48213
1335.0000 -175.40592 -165.84802 9.55790 2.95267 -166.25615 1074.65228
1340.0000 -177.16093 -166.65268 10.50825 2.95665 -166.18591 1081.15067
1345.0000 -179.12379 -168.98752 10.13627 2.84773 -168.10584 1002.46390
1350.0000 -178.62074 -168.80846 9.81228 2.81748 -168.63902 993.60090
1355.0000 -177.22865 -166.53332 10.69533 2.88415 -167.46391 1018.46507
1360.0000 -176.73879 -167.48171 9.25708 2.89749 -167.22885 1044.48868
1365.0000 -175.38570 -164.62965 10.75605 2.94960 -166.31026 1065.54762
1370.0000 -177.02269 -167.09939 9.92330 2.97240 -165.90840 1074.09245
1375.0000 -177.95814 -166.69356 11.26458 2.93316 -166.59997 1039.08862
1380.0000 -175.66112 -165.88846 9.77266 2.98276 -165.72571 1070.62654
1385.0000 -176.93653 -166.95603 9.98050 2.89737 -167.23091 1040.34353
1390.0000 -177.75140 -167.07000 10.68140 2.86454 -167.80961 1017.31251
1395.0000 -177.24642 -167.94118 9.30524 2.88204 -167.50106 1023.26463
1400.0000 -176.64416 -166.92509 9.71908 2.85752 -167.93326 951.00738
1405.0000 -176.42161 -164.87695 11.54466 2.96184 -166.09454 1073.35498
1410.0000 -176.24406 -165.06301 11.18106 3.00843 -165.27326 1094.27997
1415.0000 -175.18689 -166.78847 8.39843 3.01554 -165.14798 1117.00483
1420.0000 -175.77933 -165.29446 10.48487 2.98084 -165.75964 1069.13545
1425.0000 -177.56290 -167.15508 10.40782 2.91192 -166.97439 1013.16706
1430.0000 -177.95979 -166.69993 11.25986 2.89917 -167.19916 1025.97869
1435.0000 -177.14978 -165.92851 11.22127 2.98869 -165.62126 1107.78399
1440.0000 -172.82534 -163.38771 9.43763 3.00408 -165.34996 1094.79141
1445.0000 -174.45498 -163.99799 10.45699 3.11147 -163.45715 1143.90443
1450.0000 -177.02074 -166.13828 10.88246 3.02557 -164.97128 1119.07577
1455.0000 -176.69901 -166.26656 10.43245 2.89615 -167.25232 1029.73181
1460.0000 -174.79584 -164.25566 10.54017 2.99463 -165.51664 1103.54476
1465.0000 -174.72364 -163.34846 11.37518 3.11357 -163.42010 1164.70453
1470.0000 -174.67490 -164.87742 9.79748 3.03341 -164.83306 1108.18480
1475.0000 -176.66963 -166.47514 10.19449 2.96735 -165.99735 1077.76787
1480.0000 -175.26228 -163.77655 11.48573 2.98937 -165.60929 1050.96327
1485.0000 -175.93281 -164.58929 11.34351 3.09766 -163.70061 1164.56810
1490.0000 -175.84500 -164.89881 10.94619 3.04677 -164.59753 1120.80004
1495.0000 -175.43484 -164.10076 11.33408 3.04733 -164.58768 1103.70601
1500.0000 -177.62557 -165.90838 11.71718 3.09757 -163.70206 1138.91526
FREEZING PROCESS: loop number 7 T-loop= 1050.0000000000000
main_MD> interactions number 7 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65225 -1.33105 -0.33532
force_rgl> df(natom) 1.05401 -2.83179 -0.61738
1505.0000 -176.74098 -168.06397 8.67701 2.88638 -167.42455 990.94623
1510.0000 -176.38433 -166.27347 10.11086 2.86796 -167.74930 980.91270
1515.0000 -176.38291 -165.58881 10.79410 2.97261 -165.90465 1055.59054
1520.0000 -175.88529 -166.06191 9.82338 2.95951 -166.13560 1078.65511
1525.0000 -176.45619 -166.82615 9.63004 2.91981 -166.83542 1071.22820
1530.0000 -178.87478 -168.00904 10.86575 2.91933 -166.84389 1061.31474
1535.0000 -176.96797 -167.25570 9.71227 2.84294 -168.19019 1008.87756
1540.0000 -177.04372 -167.92059 9.12313 2.89290 -167.30957 1040.58323
1545.0000 -176.55645 -166.23258 10.32387 2.90359 -167.12123 1032.63229
1550.0000 -175.07560 -165.89098 9.18462 2.97073 -165.93775 1064.88274
1555.0000 -176.22307 -164.93611 11.28696 2.99937 -165.43303 1078.29757
1560.0000 -176.71091 -165.55666 11.15425 2.99893 -165.44072 1093.48637
1565.0000 -178.17223 -166.88131 11.29092 2.95868 -166.15023 1111.40437
1570.0000 -177.42398 -167.37359 10.05039 2.92789 -166.69295 1058.03597
1575.0000 -176.76322 -166.52232 10.24090 2.96228 -166.08675 1099.86643
1580.0000 -178.90615 -167.57990 11.32626 2.88029 -167.53185 1025.33558
1585.0000 -178.10319 -167.57732 10.52587 2.92142 -166.80703 1052.31380
1590.0000 -178.26146 -168.32391 9.93755 2.86501 -167.80128 996.82753
1595.0000 -177.67577 -167.51187 10.16390 2.81489 -168.68473 965.12935
1600.0000 -176.15873 -166.89899 9.25974 2.86139 -167.86506 1026.87228
1605.0000 -179.26439 -168.02883 11.23556 2.92570 -166.73146 1033.45635
1610.0000 -177.20315 -168.17470 9.02846 2.85639 -167.95324 1030.38485
1615.0000 -177.15810 -166.21460 10.94350 2.90731 -167.05575 1070.37363
1620.0000 -176.79996 -167.27550 9.52446 2.88993 -167.36192 1034.49045
1625.0000 -177.65743 -167.97099 9.68644 2.89569 -167.26054 1024.68130
1630.0000 -177.84671 -167.39090 10.45582 2.83484 -168.33300 992.29422
1635.0000 -177.10139 -166.95203 10.14936 2.88955 -167.36865 1023.45653
1640.0000 -173.76927 -163.20309 10.56618 3.01481 -165.16081 1101.53850
1645.0000 -176.39860 -164.85499 11.54361 3.02873 -164.91555 1120.50344
1650.0000 -177.07686 -166.39468 10.68218 2.91905 -166.84868 1027.82844
1655.0000 -177.29974 -166.73429 10.56545 2.88780 -167.39959 988.88389
1660.0000 -178.16087 -167.81890 10.34197 2.90659 -167.06831 997.39015
1665.0000 -178.83663 -171.31338 7.52325 2.78682 -169.17943 930.38378
1670.0000 -177.26204 -167.85170 9.41034 2.79395 -169.05384 973.15222
1675.0000 -177.68741 -168.77200 8.91541 2.79952 -168.95550 977.90351
1680.0000 -177.30725 -166.80839 10.49887 2.87306 -167.65945 986.94443
1685.0000 -176.55369 -167.74353 8.81016 2.88832 -167.39040 1012.86269
1690.0000 -176.40064 -165.24028 11.16036 2.93332 -166.59714 1038.31701
1695.0000 -175.28493 -165.73408 9.55085 2.95957 -166.13448 1078.93842
1700.0000 -178.85496 -168.80713 10.04782 2.89915 -167.19943 1005.07308
1705.0000 -178.31445 -169.57833 8.73612 2.86810 -167.74682 1005.41081
1710.0000 -178.36510 -168.45938 9.90573 2.81981 -168.59801 994.71455
1715.0000 -177.83412 -166.91510 10.91902 2.88123 -167.51535 1006.97886
1720.0000 -176.77838 -166.85291 9.92546 2.96469 -166.04427 1077.20153
1725.0000 -177.88130 -167.13943 10.74188 2.91288 -166.95743 1069.80523
1730.0000 -175.84815 -166.14714 9.70101 2.94622 -166.36985 1057.92179
1735.0000 -177.71912 -167.51715 10.20197 2.97822 -165.80574 1105.58461
1740.0000 -177.13012 -167.30307 9.82705 2.90002 -167.18416 1057.51141
1745.0000 -177.64040 -167.20009 10.44031 2.83459 -168.33738 1009.05300
1750.0000 -177.74720 -167.12959 10.61761 2.91168 -166.97872 1065.50441
FREEZING PROCESS: loop number 8 T-loop= 1025.0000000000000
main_MD> interactions number 8 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.65529 -1.56018 -1.70220
force_rgl> df(natom) 0.40757 -1.07317 -0.98543
1755.0000 -176.77774 -168.70826 8.06948 2.83018 -168.41515 976.18223
1760.0000 -177.61300 -167.35891 10.25409 2.88673 -167.41842 1050.09070
1765.0000 -177.41237 -167.67774 9.73463 2.92058 -166.82178 1062.96441
1770.0000 -178.87241 -168.30624 10.56617 2.84825 -168.09672 989.65368
1775.0000 -177.04395 -167.98159 9.06237 2.86453 -167.80977 1004.06184
1780.0000 -176.66882 -167.80971 8.85910 2.85109 -168.04669 985.66658
1785.0000 -177.20315 -168.38219 8.82096 2.82882 -168.43917 979.39986
1790.0000 -176.51753 -167.56775 8.94978 2.90883 -167.02882 1021.95975
1795.0000 -178.16912 -167.26641 10.90271 2.93369 -166.59078 1047.11030
1800.0000 -178.18695 -169.63416 8.55278 2.86665 -167.77237 999.12733
1805.0000 -177.11999 -168.33658 8.78340 2.85885 -167.90985 980.68760
1810.0000 -177.80739 -168.04780 9.75959 2.84161 -168.21370 984.80419
1815.0000 -176.43680 -167.29586 9.14093 2.84314 -168.18668 1002.18530
1820.0000 -176.39593 -166.30775 10.08818 2.90608 -167.07726 1003.08190
1825.0000 -174.01759 -162.31017 11.70742 3.04241 -164.67442 1109.18684
1830.0000 -173.72929 -161.32920 12.40008 3.16360 -162.53825 1198.76327
1835.0000 -177.07831 -166.66268 10.41563 3.06812 -164.22117 1122.21254
1840.0000 -176.08555 -167.36141 8.72414 2.88470 -167.45423 985.79591
1845.0000 -176.15609 -166.63193 9.52416 2.90632 -167.07310 1039.81584
1850.0000 -178.22320 -168.32589 9.89731 2.90686 -167.06359 1009.93873
1855.0000 -176.82730 -166.00595 10.82135 2.92198 -166.79709 1050.66832
1860.0000 -176.79880 -166.05061 10.74819 2.96647 -166.01292 1070.68545
1865.0000 -176.85397 -168.39355 8.46042 2.86812 -167.74645 998.61526
1870.0000 -177.99596 -167.91056 10.08540 2.82508 -168.50509 966.84910
1875.0000 -177.61557 -168.95679 8.65878 2.83962 -168.24872 977.02403
1880.0000 -177.49096 -166.11197 11.37900 2.84030 -168.23678 969.98196
1885.0000 -179.31365 -168.33107 10.98258 2.86839 -167.74170 1023.86012
1890.0000 -177.53347 -170.47248 7.06099 2.78738 -169.16950 978.10885
1895.0000 -178.25836 -169.15486 9.10350 2.73326 -170.12339 915.75325
1900.0000 -175.60249 -167.78058 7.82191 2.79966 -168.95305 948.60400
1905.0000 -178.35799 -167.92695 10.43104 2.82050 -168.58571 979.18974
1910.0000 -178.82964 -169.89145 8.93819 2.76118 -169.63129 951.89868
1915.0000 -178.54460 -170.19511 8.34950 2.68650 -170.94767 908.24577
1920.0000 -179.72062 -169.70268 10.01793 2.67813 -171.09515 891.87966
1925.0000 -176.12781 -167.34194 8.78587 2.87931 -167.54928 998.93664
1930.0000 -176.81907 -167.64073 9.17834 2.91269 -166.96089 1012.02228
1935.0000 -174.92042 -165.06760 9.85282 2.91598 -166.90284 995.25245
1940.0000 -174.87755 -164.83036 10.04719 3.02086 -165.05429 1117.79863
1945.0000 -175.46125 -167.13763 8.32362 3.00510 -165.33203 1100.65450
1950.0000 -176.48709 -166.44661 10.04048 2.92006 -166.83101 1031.73973
1955.0000 -173.50501 -164.23123 9.27378 3.04230 -164.67641 1103.72653
1960.0000 -178.57208 -167.55450 11.01758 3.01113 -165.22568 1124.14383
1965.0000 -177.21623 -168.25609 8.96015 2.88968 -167.36636 1032.00498
1970.0000 -177.23464 -168.44118 8.79345 2.85261 -168.01980 1004.51087
1975.0000 -179.78019 -169.10198 10.67821 2.77913 -169.31504 961.08804
1980.0000 -175.92669 -166.09840 9.82830 2.81274 -168.72252 943.88818
1985.0000 -175.91605 -165.94708 9.96897 2.93515 -166.56496 1052.18122
1990.0000 -176.17389 -168.33776 7.83613 2.86048 -167.88116 1006.74901
1995.0000 -177.75173 -167.99221 9.75952 2.80410 -168.87490 965.89912
2000.0000 -176.86674 -166.77994 10.08680 2.91956 -166.83971 1010.42570
FREEZING PROCESS: loop number 9 T-loop= 1000.0000000000000
main_MD> interactions number 9 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10482 -0.59831 0.43667
force_rgl> df(natom) 1.97632 0.54178 1.65929
2005.0000 -177.58537 -167.08526 10.50011 2.87102 -167.69525 999.01911
2010.0000 -179.32871 -170.24403 9.08468 2.74970 -169.83366 932.91405
2015.0000 -178.26267 -169.25505 9.00762 2.76445 -169.57367 954.01507
2020.0000 -177.94810 -168.86075 9.08735 2.80748 -168.81525 975.30884
2025.0000 -177.76557 -167.41118 10.35439 2.80363 -168.88312 936.20198
2030.0000 -178.91730 -169.67268 9.24461 2.79569 -169.02310 971.52033
2035.0000 -180.41561 -172.04645 8.36915 2.69356 -170.82331 904.62142
2040.0000 -177.65563 -168.56892 9.08671 2.74450 -169.92536 903.51580
2045.0000 -177.78604 -167.93457 9.85147 2.81893 -168.61340 964.37325
2050.0000 -178.82483 -169.30232 9.52252 2.82753 -168.46191 986.38949
2055.0000 -178.67260 -167.57417 11.09843 2.84701 -168.11858 981.65432
2060.0000 -178.61365 -168.30028 10.31337 2.79836 -168.97610 962.73489
2065.0000 -177.20026 -167.10457 10.09569 2.95277 -166.25433 1109.67088
2070.0000 -177.95308 -168.66119 9.29188 2.89250 -167.31673 1013.87526
2075.0000 -178.42857 -169.29521 9.13336 2.81273 -168.72275 929.09796
2080.0000 -178.31193 -169.35151 8.96042 2.75312 -169.77339 937.58136
2085.0000 -178.49472 -170.32414 8.17058 2.72486 -170.27156 917.94689
2090.0000 -180.37349 -171.29991 9.07358 2.65972 -171.41975 915.22086
2095.0000 -178.79591 -170.43605 8.35986 2.72982 -170.18418 926.39630
2100.0000 -180.21050 -171.76814 8.44235 2.76074 -169.63920 943.51417
2105.0000 -178.01765 -168.78592 9.23174 2.76886 -169.49592 965.03252
2110.0000 -177.98879 -169.21968 8.76912 2.82787 -168.45588 986.42289
2115.0000 -177.43267 -167.99383 9.43884 2.85111 -168.04620 1014.55029
2120.0000 -177.69304 -166.46561 11.22743 2.84991 -168.06745 987.90564
2125.0000 -174.28368 -166.12106 8.16263 2.90928 -167.02102 1025.16978
2130.0000 -178.02720 -169.72774 8.29946 2.82472 -168.51145 986.34208
2135.0000 -178.67902 -170.17237 8.50665 2.76095 -169.63542 954.51844
2140.0000 -178.13497 -169.43566 8.69931 2.78947 -169.13265 970.39660
2145.0000 -179.15471 -170.45801 8.69669 2.73916 -170.01941 939.21984
2150.0000 -177.66147 -168.42949 9.23198 2.82572 -168.49373 979.67710
2155.0000 -176.57287 -165.98943 10.58343 2.89420 -167.28674 1033.33373
2160.0000 -179.08179 -168.77132 10.31047 2.90467 -167.10221 1041.32491
2165.0000 -178.94079 -169.63920 9.30160 2.76967 -169.48170 935.62418
2170.0000 -174.86861 -166.68040 8.18822 2.82497 -168.50703 971.59349
2175.0000 -178.57213 -169.59183 8.98030 2.83772 -168.28230 992.14836
2180.0000 -178.88922 -169.87208 9.01714 2.74134 -169.98101 939.75346
2185.0000 -176.11232 -166.17301 9.93932 2.85339 -168.00611 992.18293
2190.0000 -176.82381 -166.63740 10.18642 2.97230 -165.91010 1054.58909
2195.0000 -177.75239 -169.50032 8.25207 2.83019 -168.41506 980.17740
2200.0000 -178.06388 -169.18988 8.87399 2.80336 -168.88787 973.95848
2205.0000 -178.35977 -167.87494 10.48482 2.83659 -168.30220 999.73461
2210.0000 -178.88530 -167.76070 11.12461 2.85890 -167.90894 1011.89423
2215.0000 -177.32080 -166.96832 10.35249 2.87398 -167.64308 1020.47669
2220.0000 -177.17494 -167.56699 9.60795 2.88312 -167.48209 1007.00675
2225.0000 -178.70738 -169.73756 8.96982 2.76572 -169.55139 927.87953
2230.0000 -176.44568 -166.57292 9.87276 2.81155 -168.74358 996.95625
2235.0000 -177.73246 -168.63071 9.10175 2.86858 -167.73827 1034.41302
2240.0000 -178.68624 -170.31351 8.37272 2.74748 -169.87279 937.16962
2245.0000 -178.80421 -170.96746 7.83674 2.72675 -170.23830 911.45296
2250.0000 -178.02353 -170.43589 7.58763 2.74228 -169.96457 908.57814
FREEZING PROCESS: loop number 10 T-loop= 975.00000000000000
main_MD> interactions number 10 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98556 -0.04517 -2.85206
force_rgl> df(natom) -0.17269 -1.47416 -0.63571
2255.0000 -178.61417 -169.35074 9.26342 2.77743 -169.34492 939.61475
2260.0000 -178.15664 -169.37968 8.77696 2.75490 -169.74198 929.19012
2265.0000 -175.94517 -167.63625 8.30893 2.80714 -168.82127 955.06145
2270.0000 -176.52106 -167.60323 8.91783 2.88644 -167.42354 1034.79677
2275.0000 -176.92411 -167.71200 9.21212 2.91520 -166.91668 1039.00257
2280.0000 -177.48184 -167.82027 9.66157 2.85496 -167.97840 1006.61032
2285.0000 -177.06220 -167.54535 9.51685 2.82292 -168.54320 937.26382
2290.0000 -177.02968 -167.83211 9.19757 2.88588 -167.43336 1049.39466
2295.0000 -177.25475 -166.65237 10.60238 2.88271 -167.48920 1010.66272
2300.0000 -179.69756 -168.32868 11.36888 2.88754 -167.40422 1028.65558
2305.0000 -178.46373 -168.42022 10.04351 2.85721 -167.93872 1020.61521
2310.0000 -176.68393 -166.57182 10.11211 2.91177 -166.97705 1053.39577
2315.0000 -177.55734 -168.00424 9.55310 2.90353 -167.12231 1025.11552
2320.0000 -178.85813 -169.58153 9.27660 2.78544 -169.20383 959.66011
2325.0000 -178.45710 -168.45794 9.99916 2.79266 -169.07653 954.98680
2330.0000 -178.63555 -168.36959 10.26596 2.79826 -168.97773 967.40793
2335.0000 -178.14794 -167.11344 11.03451 2.90657 -167.06873 1020.64978
2340.0000 -179.02633 -167.94156 11.08477 2.95621 -166.19368 1088.08806
2345.0000 -176.66328 -167.12324 9.54004 2.87739 -167.58307 992.20579
2350.0000 -177.86483 -169.13459 8.73023 2.81786 -168.63231 994.52405
2355.0000 -179.06325 -170.41124 8.65201 2.78744 -169.16849 927.44116
2360.0000 -179.76203 -171.12442 8.63761 2.78190 -169.26612 966.17541
2365.0000 -178.88685 -169.08656 9.80029 2.76539 -169.55720 962.74675
2370.0000 -178.89367 -169.49638 9.39729 2.79932 -168.95913 943.07958
2375.0000 -178.03653 -168.59923 9.43730 2.81861 -168.61907 992.69437
2380.0000 -177.55738 -167.53397 10.02340 2.87424 -167.63864 1003.20171
2385.0000 -178.97483 -168.71005 10.26479 2.86993 -167.71447 996.82430
2390.0000 -176.82410 -165.22782 11.59628 2.87595 -167.60834 1021.23739
2395.0000 -177.61921 -168.20609 9.41313 2.97298 -165.89818 1106.27078
2400.0000 -178.60500 -168.83142 9.77358 2.82929 -168.43085 979.04008
2405.0000 -177.92614 -168.67523 9.25092 2.82778 -168.45753 976.98183
2410.0000 -176.98615 -167.86582 9.12034 2.81606 -168.66405 945.93681
2415.0000 -176.49609 -167.86400 8.63209 2.91795 -166.86815 1029.18998
2420.0000 -177.97761 -168.85981 9.11780 2.87039 -167.70644 1029.69148
2425.0000 -177.11845 -167.58104 9.53741 2.83218 -168.37986 1000.08248
2430.0000 -178.42036 -169.34771 9.07265 2.81154 -168.74377 955.07752
2435.0000 -177.78377 -167.88081 9.90297 2.82361 -168.53098 989.95232
2440.0000 -179.00503 -168.72666 10.27837 2.83341 -168.35825 983.18898
2445.0000 -178.80448 -168.71591 10.08857 2.84114 -168.22197 1000.55125
2450.0000 -176.97124 -168.48487 8.48637 2.82790 -168.45529 978.30681
2455.0000 -179.50432 -170.69783 8.80649 2.77545 -169.37990 964.41319
2460.0000 -179.25092 -170.76783 8.48309 2.72889 -170.20053 901.91027
2465.0000 -177.95688 -167.99453 9.96235 2.82184 -168.56210 965.60022
2470.0000 -177.02597 -168.06169 8.96428 2.84693 -168.11999 961.77674
2475.0000 -176.87188 -168.37802 8.49386 2.83341 -168.35816 996.50922
2480.0000 -178.59312 -170.31790 8.27523 2.77610 -169.36837 941.17006
2485.0000 -179.94654 -171.19037 8.75617 2.72959 -170.18821 916.74730
2490.0000 -180.05836 -171.99329 8.06506 2.65781 -171.45333 883.68991
2495.0000 -178.02596 -167.09874 10.92722 2.72499 -170.26920 948.76347
2500.0000 -176.74008 -168.03934 8.70074 2.83459 -168.33747 991.85342
FREEZING PROCESS: loop number 11 T-loop= 950.00000000000000
main_MD> interactions number 11 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.73463 -1.81150 -1.15235
force_rgl> df(natom) -1.70636 -0.60067 8.55634
2505.0000 -178.13160 -167.99951 10.13209 2.81170 -168.74094 985.96854
2510.0000 -178.50971 -169.21884 9.29087 2.77187 -169.44302 959.78439
2515.0000 -177.70265 -168.99060 8.71205 2.84389 -168.17351 977.78105
2520.0000 -180.09653 -171.34888 8.74765 2.75250 -169.78436 899.44799
2525.0000 -177.95985 -170.05457 7.90528 2.73651 -170.06614 900.36473
2530.0000 -179.60578 -171.95269 7.65309 2.72783 -170.21916 899.76175
2535.0000 -178.98780 -170.93854 8.04927 2.69299 -170.83332 884.39656
2540.0000 -179.08125 -170.00148 9.07977 2.70422 -170.63530 891.47525
2545.0000 -177.42928 -167.09307 10.33622 2.81667 -168.65336 1012.98092
2550.0000 -177.18730 -167.05360 10.13370 2.87295 -167.66138 955.21948
2555.0000 -177.58861 -168.88631 8.70230 2.84279 -168.19285 987.91746
2560.0000 -176.62823 -165.77120 10.85702 2.90291 -167.13317 1056.82633
2565.0000 -176.63109 -167.92535 8.70573 2.92947 -166.66508 1061.21162
2570.0000 -177.18439 -168.01217 9.17223 2.81907 -168.61103 943.39076
2575.0000 -176.69822 -167.03851 9.65971 2.88650 -167.42243 981.96407
2580.0000 -178.94582 -169.52780 9.41802 2.85829 -167.91961 1007.72501
2585.0000 -179.26865 -170.24195 9.02669 2.82799 -168.45385 996.53566
2590.0000 -178.58216 -168.79624 9.78591 2.75044 -169.82061 942.04667
2595.0000 -177.07970 -168.48330 8.59640 2.78354 -169.23723 960.71396
2600.0000 -178.24180 -168.87523 9.36657 2.83487 -168.33255 979.70070
2605.0000 -178.60024 -169.54543 9.05480 2.80301 -168.89414 974.18089
2610.0000 -177.69458 -168.79067 8.90391 2.79333 -169.06465 986.20144
2615.0000 -176.68797 -168.20369 8.48428 2.86237 -167.84787 1042.17941
2620.0000 -177.99510 -167.32667 10.66842 2.88023 -167.53304 987.72722
2625.0000 -178.14269 -168.17094 9.97176 2.84285 -168.19180 1009.44234
2630.0000 -178.53616 -168.58063 9.95552 2.79274 -169.07515 952.19705
2635.0000 -180.48962 -171.20401 9.28561 2.79191 -169.08976 964.90508
2640.0000 -179.64715 -170.65059 8.99656 2.73818 -170.03683 951.00219
2645.0000 -178.73623 -169.59003 9.14620 2.79475 -169.03972 958.92974
2650.0000 -176.55326 -168.24430 8.30896 2.74404 -169.93345 938.11428
2655.0000 -178.94566 -170.32899 8.61667 2.80044 -168.93928 966.80018
2660.0000 -178.62751 -169.74175 8.88576 2.67851 -171.08845 899.74432
2665.0000 -179.09916 -171.71354 7.38561 2.75433 -169.75218 937.26443
2670.0000 -178.40515 -169.19787 9.20728 2.77097 -169.45875 936.49628
2675.0000 -180.25437 -171.48700 8.76737 2.63637 -171.83124 842.95258
2680.0000 -179.91165 -170.50813 9.40352 2.72823 -170.21214 929.65615
2685.0000 -177.07438 -167.91846 9.15592 2.77196 -169.44130 938.98565
2690.0000 -176.48702 -167.38892 9.09811 2.82564 -168.49525 945.63033
2695.0000 -180.19491 -170.37987 9.81504 2.78678 -169.18009 970.91363
2700.0000 -180.60211 -171.82797 8.77413 2.68506 -170.97303 907.37472
2705.0000 -178.90921 -169.96553 8.94368 2.68646 -170.94840 914.91178
2710.0000 -180.56672 -171.58291 8.98381 2.69877 -170.73143 890.10817
2715.0000 -178.09054 -169.23517 8.85537 2.71953 -170.36556 901.65442
2720.0000 -178.58131 -170.48879 8.09252 2.77050 -169.46705 946.84093
2725.0000 -178.94327 -171.31370 7.62956 2.73349 -170.11939 931.95837
2730.0000 -178.98728 -169.34425 9.64303 2.79708 -168.99859 983.02902
2735.0000 -178.76607 -169.14457 9.62150 2.79422 -169.04894 999.16602
2740.0000 -178.67592 -169.58571 9.09021 2.72455 -170.27692 932.95291
2745.0000 -178.25343 -170.51133 7.74210 2.76038 -169.64541 945.52047
2750.0000 -180.26151 -171.34282 8.91868 2.67079 -171.22453 886.55936
FREEZING PROCESS: loop number 12 T-loop= 925.00000000000000
main_MD> interactions number 12 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.52237 -3.55244 -0.68016
force_rgl> df(natom) -3.79154 -0.46444 1.77178
2755.0000 -179.51785 -171.23463 8.28323 2.65779 -171.45372 896.24637
2760.0000 -177.92953 -168.60630 9.32324 2.72141 -170.33230 916.08236
2765.0000 -177.80408 -168.94968 8.85440 2.81018 -168.76773 981.62621
2770.0000 -178.65799 -169.40950 9.24849 2.80915 -168.78589 954.68304
2775.0000 -178.74229 -170.83940 7.90289 2.70350 -170.64808 880.57200
2780.0000 -179.09036 -170.66098 8.42938 2.72417 -170.28377 910.22456
2785.0000 -179.00027 -170.11584 8.88443 2.71581 -170.43109 870.99943
2790.0000 -180.05664 -169.98164 10.07500 2.75091 -169.81245 926.46467
2795.0000 -177.38439 -168.39865 8.98574 2.74372 -169.93908 946.05302
2800.0000 -179.21459 -169.18176 10.03284 2.82891 -168.43759 977.48167
2805.0000 -177.46268 -168.83271 8.62998 2.73188 -170.14778 922.33647
2810.0000 -178.04247 -168.38076 9.66171 2.82209 -168.55783 972.76712
2815.0000 -178.93831 -170.29267 8.64564 2.77271 -169.42810 969.39406
2820.0000 -180.34754 -171.94234 8.40520 2.67228 -171.19835 899.67665
2825.0000 -177.47613 -168.53437 8.94176 2.69256 -170.84093 916.59471
2830.0000 -179.71120 -170.82248 8.88872 2.73764 -170.04627 931.34980
2835.0000 -180.13772 -171.64323 8.49449 2.71636 -170.42141 927.67738
2840.0000 -179.49312 -170.29911 9.19401 2.68118 -171.04150 867.29823
2845.0000 -178.02080 -169.48462 8.53618 2.73450 -170.10154 901.03350
2850.0000 -182.23432 -174.07496 8.15937 2.64746 -171.63581 871.09966
2855.0000 -180.59568 -172.70433 7.89134 2.57477 -172.91698 826.96113
2860.0000 -177.71323 -168.33620 9.37703 2.73093 -170.16453 940.25987
2865.0000 -178.54891 -169.06632 9.48259 2.81174 -168.74013 994.02466
2870.0000 -177.33632 -169.75530 7.58102 2.74983 -169.83141 941.08641
2875.0000 -178.95203 -168.05733 10.89469 2.82694 -168.47229 967.78449
2880.0000 -180.04045 -171.41523 8.62522 2.77433 -169.39959 948.85263
2885.0000 -178.42417 -169.53324 8.89093 2.72711 -170.23185 906.47089
2890.0000 -176.44995 -168.00449 8.44546 2.84547 -168.14562 967.28835
2895.0000 -178.20591 -167.15161 11.05430 2.93436 -166.57889 1022.12745
2900.0000 -179.60239 -170.60687 8.99552 2.84816 -168.09820 980.14142
2905.0000 -180.06269 -172.39731 7.66538 2.59563 -172.54927 824.46972
2910.0000 -177.07916 -170.19248 6.88668 2.70073 -170.69693 868.99252
2915.0000 -177.99633 -169.18900 8.80733 2.72915 -170.19595 927.37173
2920.0000 -179.63704 -170.22191 9.41513 2.76798 -169.51155 922.69849
2925.0000 -179.62517 -168.92454 10.70063 2.74158 -169.97675 930.17865
2930.0000 -179.50916 -170.94690 8.56225 2.75985 -169.65472 942.45585
2935.0000 -180.28172 -171.49737 8.78435 2.63772 -171.80738 860.64251
2940.0000 -180.06347 -171.10326 8.96021 2.63023 -171.93948 847.40850
2945.0000 -178.77053 -170.90080 7.86972 2.66678 -171.29518 846.38946
2950.0000 -179.25184 -170.80160 8.45024 2.68927 -170.89885 883.53672
2955.0000 -179.18068 -170.53789 8.64279 2.67623 -171.12862 888.72846
2960.0000 -180.29920 -170.12377 10.17543 2.74737 -169.87485 924.87313
2965.0000 -181.28873 -171.82752 9.46121 2.64899 -171.60882 876.22176
2970.0000 -177.31312 -167.23680 10.07632 2.72632 -170.24586 907.19275
2975.0000 -178.33922 -169.82206 8.51717 2.76520 -169.56056 953.14065
2980.0000 -178.61269 -169.57313 9.03955 2.71137 -170.50923 870.71043
2985.0000 -180.19015 -170.87008 9.32007 2.74899 -169.84615 937.03708
2990.0000 -178.59147 -169.51887 9.07260 2.69971 -170.71483 891.19218
2995.0000 -178.28128 -167.81803 10.46325 2.80899 -168.78862 966.82121
3000.0000 -177.04688 -167.01563 10.03124 2.92286 -166.78164 1071.82760
FREEZING PROCESS: loop number 13 T-loop= 900.00000000000000
main_MD> interactions number 13 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90071 1.84192 1.63823
force_rgl> df(natom) 2.79603 0.77489 -0.29063
3005.0000 -178.30137 -170.44562 7.85575 2.81927 -168.60745 972.53312
3010.0000 -180.18099 -172.03667 8.14431 2.67747 -171.10686 884.14727
3015.0000 -179.06013 -171.52758 7.53255 2.61700 -172.17268 830.21237
3020.0000 -181.20295 -171.18001 10.02294 2.73921 -170.01859 926.60040
3025.0000 -180.76993 -170.98659 9.78334 2.61710 -172.17096 855.17774
3030.0000 -180.26533 -171.11675 9.14857 2.70983 -170.53652 902.10794
3035.0000 -179.11255 -171.16194 7.95062 2.68849 -170.91263 890.75800
3040.0000 -179.60917 -171.08560 8.52358 2.67862 -171.08652 872.11422
3045.0000 -180.96114 -172.26458 8.69656 2.63887 -171.78724 835.04047
3050.0000 -179.35849 -170.83909 8.51940 2.66056 -171.40489 850.45108
3055.0000 -178.03736 -169.76832 8.26904 2.76804 -169.51048 906.60155
3060.0000 -180.66668 -171.24515 9.42152 2.69294 -170.83421 874.05921
3065.0000 -180.37576 -172.23792 8.13784 2.66733 -171.28551 880.12575
3070.0000 -179.12562 -169.63158 9.49404 2.70410 -170.63749 930.83717
3075.0000 -180.34441 -171.88693 8.45748 2.75406 -169.75692 941.93614
3080.0000 -180.31793 -172.18039 8.13754 2.63990 -171.76910 849.83858
3085.0000 -180.58038 -172.15539 8.42499 2.60468 -172.38981 871.25007
3090.0000 -180.01386 -172.26538 7.74848 2.62624 -172.00983 852.76107
3095.0000 -182.66731 -174.11550 8.55180 2.60320 -172.41599 850.93989
3100.0000 -181.19530 -171.71910 9.47620 2.59518 -172.55720 848.67167
3105.0000 -181.09041 -173.80934 7.28107 2.57456 -172.92079 818.63715
3110.0000 -179.89614 -172.05138 7.84475 2.57242 -172.95847 811.58517
3115.0000 -180.33099 -171.54487 8.78612 2.64822 -171.62245 856.55750
3120.0000 -180.96820 -171.71965 9.24856 2.61252 -172.25169 846.37925
3125.0000 -178.67221 -171.18005 7.49216 2.62498 -172.03207 861.95608
3130.0000 -179.03533 -170.41274 8.62259 2.68765 -170.92735 894.68479
3135.0000 -177.93037 -169.11989 8.81048 2.70930 -170.54575 915.37371
3140.0000 -180.14194 -172.43252 7.70942 2.69651 -170.77121 891.32765
3145.0000 -180.32202 -172.71602 7.60600 2.59538 -172.55374 805.43855
3150.0000 -181.85628 -173.46487 8.39141 2.56614 -173.06917 813.03882
3155.0000 -179.56024 -171.62797 7.93228 2.60613 -172.36427 827.04510
3160.0000 -180.28801 -172.37400 7.91401 2.60478 -172.38810 856.93702
3165.0000 -180.79032 -172.37438 8.41594 2.62136 -172.09577 856.28128
3170.0000 -179.75890 -172.21313 7.54577 2.63706 -171.81917 888.09808
3175.0000 -179.93110 -171.74054 8.19056 2.60784 -172.33411 853.87529
3180.0000 -180.53270 -171.80931 8.72340 2.66025 -171.41032 893.60773
3185.0000 -178.23839 -168.19104 10.04735 2.71054 -170.52390 898.46816
3190.0000 -178.27934 -170.00020 8.27914 2.79545 -169.02725 941.68750
3195.0000 -179.84479 -169.50746 10.33733 2.72860 -170.20564 908.23549
3200.0000 -179.24552 -170.59568 8.64985 2.71811 -170.39059 905.39299
3205.0000 -178.95030 -170.14275 8.80755 2.71744 -170.40230 915.32833
3210.0000 -178.20981 -168.29058 9.91922 2.78146 -169.27395 957.10006
3215.0000 -179.16423 -170.44248 8.72175 2.72277 -170.30844 927.56076
3220.0000 -179.17534 -171.28487 7.89047 2.65671 -171.47267 894.85348
3225.0000 -177.51219 -169.30015 8.21203 2.73625 -170.07077 925.14329
3230.0000 -177.24172 -169.34144 7.90028 2.70511 -170.61967 896.67927
3235.0000 -180.54004 -172.57029 7.96975 2.76493 -169.56533 969.90906
3240.0000 -180.31060 -171.73228 8.57832 2.56734 -173.04801 803.99747
3245.0000 -180.71288 -172.37377 8.33911 2.60816 -172.32854 854.87306
3250.0000 -179.18968 -171.33444 7.85524 2.59674 -172.52978 824.09655
FREEZING PROCESS: loop number 14 T-loop= 875.00000000000000
main_MD> interactions number 14 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11568 3.22503 2.70192
force_rgl> df(natom) 1.52030 -0.12960 5.80640
3255.0000 -177.76943 -169.87634 7.89309 2.73132 -170.15773 931.13778
3260.0000 -179.18018 -171.65903 7.52115 2.67333 -171.17973 871.36359
3265.0000 -179.80589 -172.76073 7.04517 2.62447 -172.04102 842.43228
3270.0000 -181.55278 -173.37617 8.17660 2.56308 -173.12310 810.64645
3275.0000 -180.29768 -172.77824 7.51944 2.51986 -173.88479 797.36108
3280.0000 -179.39474 -171.70991 7.68482 2.55946 -173.18691 784.67233
3285.0000 -180.79726 -171.33786 9.45940 2.61867 -172.14327 844.30170
3290.0000 -179.08827 -170.63235 8.45592 2.72271 -170.30947 940.68840
3295.0000 -179.48413 -171.15734 8.32679 2.70522 -170.61778 880.84366
3300.0000 -179.54696 -170.39377 9.15319 2.66012 -171.41271 855.87095
3305.0000 -180.15368 -171.17378 8.97990 2.70409 -170.63756 921.08761
3310.0000 -178.64098 -169.96875 8.67224 2.72632 -170.24575 914.11750
3315.0000 -178.82825 -170.03599 8.79226 2.70481 -170.62496 892.49832
3320.0000 -178.19162 -169.65417 8.53745 2.73959 -170.01186 898.33244
3325.0000 -180.16878 -171.96854 8.20024 2.66645 -171.30114 885.83391
3330.0000 -179.28255 -170.98723 8.29532 2.63506 -171.85440 863.21356
3335.0000 -179.52731 -171.67817 7.84915 2.63468 -171.86097 855.35027
3340.0000 -181.27309 -173.43561 7.83748 2.64409 -171.69520 861.51467
3345.0000 -179.83153 -171.53514 8.29639 2.60131 -172.44925 848.63256
3350.0000 -180.37034 -172.74324 7.62710 2.66190 -171.38120 869.74318
3355.0000 -181.68827 -173.99832 7.68995 2.56659 -173.06126 800.68962
3360.0000 -180.05772 -172.31344 7.74428 2.58683 -172.70450 812.39876
3365.0000 -181.14153 -173.15009 7.99144 2.61497 -172.20850 831.72395
3370.0000 -180.49435 -172.25528 8.23907 2.56266 -173.13048 827.33694
3375.0000 -180.15476 -171.68719 8.46757 2.60589 -172.36846 858.34884
3380.0000 -178.82446 -170.62223 8.20223 2.67597 -171.13329 866.56920
3385.0000 -179.56699 -171.61774 7.94925 2.68159 -171.03427 867.07829
3390.0000 -179.70788 -171.94160 7.76629 2.68983 -170.88905 892.40815
3395.0000 -179.91129 -171.33819 8.57309 2.61494 -172.20905 846.69647
3400.0000 -179.77302 -171.44643 8.32659 2.65175 -171.56025 867.83057
3405.0000 -178.06042 -170.80776 7.25265 2.67274 -171.19029 890.61745
3410.0000 -180.38581 -173.44684 6.93898 2.60192 -172.43857 821.76229
3415.0000 -182.56310 -174.15840 8.40470 2.54798 -173.38916 792.67476
3420.0000 -180.83144 -173.42856 7.40288 2.53320 -173.64968 791.89707
3425.0000 -180.49879 -172.06683 8.43196 2.59541 -172.55318 818.60433
3430.0000 -178.49971 -171.56929 6.93042 2.68411 -170.98986 876.79334
3435.0000 -180.84822 -174.00288 6.84534 2.64802 -171.62592 842.00982
3440.0000 -181.27743 -172.78367 8.49376 2.52939 -173.71686 781.35901
3445.0000 -180.90336 -172.26053 8.64283 2.57702 -172.87729 855.91670
3450.0000 -180.93252 -173.33114 7.60138 2.56723 -173.04997 826.99915
3455.0000 -179.65774 -171.29776 8.35998 2.62473 -172.03635 849.96526
3460.0000 -180.56097 -170.97819 9.58278 2.72049 -170.34854 928.80069
3465.0000 -179.14726 -170.53569 8.61157 2.65196 -171.55644 887.37661
3470.0000 -179.34815 -170.77525 8.57290 2.72266 -170.31023 908.37790
3475.0000 -179.96908 -170.08823 9.88085 2.67388 -171.17007 867.06496
3480.0000 -179.46357 -171.35337 8.11020 2.66469 -171.33202 889.28750
3485.0000 -179.61250 -171.00162 8.61088 2.70155 -170.68244 896.32360
3490.0000 -179.63165 -170.71342 8.91822 2.70074 -170.69660 898.79302
3495.0000 -179.75047 -171.39256 8.35791 2.65681 -171.47095 867.05703
3500.0000 -177.44790 -169.42957 8.01832 2.79103 -169.10530 926.27354
FREEZING PROCESS: loop number 15 T-loop= 850.00000000000000
main_MD> interactions number 15 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15957 1.06096 1.63277
force_rgl> df(natom) -0.06720 -0.82173 -1.17436
3505.0000 -179.35762 -170.60104 8.75658 2.76261 -169.60624 953.04981
3510.0000 -179.67609 -171.07479 8.60129 2.67099 -171.22102 881.77671
3515.0000 -180.17231 -172.54022 7.63209 2.59680 -172.52870 810.35965
3520.0000 -179.69872 -171.30834 8.39038 2.60947 -172.30540 835.38324
3525.0000 -180.24623 -172.04434 8.20189 2.65211 -171.55385 858.37236
3530.0000 -179.38252 -171.85166 7.53086 2.58874 -172.67083 832.18115
3535.0000 -179.46096 -169.71305 9.74791 2.70731 -170.58092 895.21461
3540.0000 -179.68218 -170.56859 9.11359 2.74196 -169.97019 927.84184
3545.0000 -179.41135 -172.28461 7.12674 2.62968 -171.94920 836.04332
3550.0000 -179.70176 -172.70072 7.00104 2.61306 -172.24207 834.60783
3555.0000 -180.54366 -171.05821 9.48545 2.64947 -171.60030 855.87793
3560.0000 -178.57294 -169.49210 9.08084 2.68095 -171.04552 902.56968
3565.0000 -178.48956 -169.81893 8.67063 2.75400 -169.75790 931.88529
3570.0000 -179.28946 -169.49624 9.79323 2.78674 -169.18086 959.16209
3575.0000 -180.63129 -172.24053 8.39077 2.61750 -172.16395 828.13378
3580.0000 -179.95060 -171.47512 8.47547 2.62306 -172.06589 842.30072
3585.0000 -179.29542 -172.17014 7.12527 2.60108 -172.45323 834.23013
3590.0000 -180.19608 -171.82978 8.36629 2.64344 -171.70664 850.70356
3595.0000 -180.46838 -172.39793 8.07045 2.61419 -172.22217 847.83308
3600.0000 -179.53303 -171.31648 8.21655 2.61156 -172.26851 847.00312
3605.0000 -181.43805 -172.69205 8.74600 2.63944 -171.77716 859.94984
3610.0000 -181.58543 -172.54141 9.04402 2.57183 -172.96888 837.36856
3615.0000 -180.14624 -172.28061 7.86563 2.61283 -172.24613 873.84283
3620.0000 -179.63738 -170.88703 8.75034 2.64483 -171.68220 857.40499
3625.0000 -179.92096 -172.33661 7.58436 2.70114 -170.68960 897.37866
3630.0000 -182.75865 -174.10154 8.65710 2.53982 -173.53303 802.61152
3635.0000 -180.18570 -171.91177 8.27393 2.56119 -173.15637 815.58110
3640.0000 -181.27788 -173.14137 8.13651 2.58498 -172.73713 823.70345
3645.0000 -179.90186 -172.19842 7.70344 2.58699 -172.70163 837.43715
3650.0000 -178.88004 -170.50459 8.37545 2.67505 -171.14949 867.77419
3655.0000 -180.02051 -172.36295 7.65756 2.70824 -170.56445 919.29735
3660.0000 -180.29693 -171.50234 8.79459 2.60217 -172.43402 806.74130
3665.0000 -180.62183 -172.83612 7.78571 2.59738 -172.51859 841.22501
3670.0000 -180.26777 -173.51099 6.75678 2.54880 -173.37480 797.17745
3675.0000 -180.35784 -173.01525 7.34259 2.58764 -172.69011 830.74543
3680.0000 -180.33392 -172.27790 8.05602 2.60561 -172.37340 835.98676
3685.0000 -176.74929 -169.48710 7.26219 2.70063 -170.69858 874.14904
3690.0000 -180.95229 -171.03584 9.91645 2.71534 -170.43929 916.56325
3695.0000 -183.15192 -174.08737 9.06455 2.57652 -172.88620 847.30617
3700.0000 -182.33628 -175.24769 7.08858 2.51590 -173.95474 778.17200
3705.0000 -181.31814 -174.70311 6.61503 2.47585 -174.66066 724.96302
3710.0000 -180.19431 -171.33472 8.85959 2.54547 -173.43347 782.44006
3715.0000 -179.42019 -171.21396 8.20623 2.67036 -171.23212 862.76693
3720.0000 -178.85633 -169.41541 9.44092 2.71755 -170.40036 916.28443
3725.0000 -179.09472 -169.95166 9.14306 2.74029 -169.99949 921.31021
3730.0000 -181.09575 -173.52207 7.57368 2.65466 -171.50895 893.87558
3735.0000 -179.96032 -172.67301 7.28731 2.54400 -173.45945 783.77206
3740.0000 -180.05328 -172.13379 7.91949 2.60053 -172.46304 845.03787
3745.0000 -180.72312 -171.37361 9.34950 2.65025 -171.58664 859.74992
3750.0000 -178.93925 -171.43960 7.49965 2.66969 -171.24397 870.53287
FREEZING PROCESS: loop number 16 T-loop= 825.00000000000000
main_MD> interactions number 16 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.57909 1.11363 1.31921
force_rgl> df(natom) -2.05665 2.68637 -3.09477
3755.0000 -180.91648 -173.93104 6.98544 2.56693 -173.05526 812.83208
3760.0000 -180.45357 -172.53760 7.91596 2.56286 -173.12694 815.47955
3765.0000 -180.49308 -172.95930 7.53378 2.57943 -172.83494 849.79169
3770.0000 -180.35389 -171.92801 8.42589 2.52136 -173.85842 783.80727
3775.0000 -181.04402 -171.67172 9.37229 2.65809 -171.44851 885.81370
3780.0000 -179.65807 -171.08166 8.57641 2.61470 -172.21327 837.43142
3785.0000 -179.92481 -172.38321 7.54160 2.63586 -171.84034 852.59893
3790.0000 -179.76109 -172.42673 7.33436 2.61808 -172.15371 827.52366
3795.0000 -180.61751 -171.74489 8.87262 2.61656 -172.18037 833.72969
3800.0000 -179.66327 -173.15300 6.51026 2.64478 -171.68305 887.45715
3805.0000 -180.07195 -170.84146 9.23049 2.61308 -172.24178 858.76168
3810.0000 -180.08134 -171.96159 8.11975 2.64662 -171.65061 861.92394
3815.0000 -181.68140 -174.14977 7.53163 2.56229 -173.13692 801.12592
3820.0000 -182.15905 -175.95416 6.20489 2.40137 -175.97333 697.40696
3825.0000 -182.55125 -174.95171 7.59954 2.37643 -176.41303 704.07872
3830.0000 -181.45001 -173.53963 7.91038 2.52312 -173.82743 793.42465
3835.0000 -178.85897 -170.92686 7.93212 2.58514 -172.73426 823.82139
3840.0000 -180.89770 -173.58248 7.31522 2.63644 -171.83006 874.73304
3845.0000 -183.55452 -176.16115 7.39337 2.49437 -174.33410 782.74865
3850.0000 -181.72447 -174.96113 6.76334 2.40982 -175.82441 711.19212
3855.0000 -182.63925 -175.29043 7.34883 2.48448 -174.50855 783.91368
3860.0000 -182.33587 -175.26582 7.07006 2.48154 -174.56031 755.73173
3865.0000 -182.13421 -174.47493 7.65927 2.46240 -174.89763 734.09612
3870.0000 -179.99434 -172.80257 7.19177 2.52959 -173.71331 768.51402
3875.0000 -180.92105 -173.12118 7.79986 2.55159 -173.32557 813.58393
3880.0000 -180.59278 -172.90386 7.68892 2.50872 -174.08119 802.11466
3885.0000 -180.15153 -173.01597 7.13556 2.61765 -172.16118 858.11569
3890.0000 -180.69573 -172.62510 8.07062 2.61672 -172.17761 846.65229
3895.0000 -179.73475 -171.85097 7.88378 2.62264 -172.07334 846.77986
3900.0000 -180.25129 -172.86415 7.38714 2.66034 -171.40876 864.65753
3905.0000 -182.51763 -175.47157 7.04606 2.49328 -174.35341 785.55260
3910.0000 -181.33486 -174.46298 6.87188 2.46351 -174.87805 761.88200
3915.0000 -181.01832 -172.88310 8.13522 2.54302 -173.47667 796.33785
3920.0000 -179.57352 -170.16210 9.41141 2.64394 -171.69790 866.11552
3925.0000 -178.43484 -171.04159 7.39325 2.71418 -170.45979 924.57470
3930.0000 -178.51083 -169.45296 9.05788 2.71524 -170.44113 907.72233
3935.0000 -179.43385 -169.35977 10.07408 2.78981 -169.12681 983.77087
3940.0000 -178.09216 -168.90741 9.18476 2.81915 -168.60964 964.39913
3945.0000 -181.10519 -172.85608 8.24911 2.65715 -171.46506 856.61746
3950.0000 -180.85264 -171.42934 9.42330 2.62616 -172.01122 842.16815
3955.0000 -180.16318 -171.83520 8.32798 2.66783 -171.27668 869.36498
3960.0000 -180.22939 -172.35558 7.87382 2.66550 -171.31782 912.05655
3965.0000 -181.53284 -173.84516 7.68768 2.59376 -172.58239 838.46316
3970.0000 -182.03542 -172.91417 9.12125 2.60564 -172.37289 842.17835
3975.0000 -182.48941 -173.98930 8.50012 2.55307 -173.29951 798.00184
3980.0000 -182.07841 -174.03866 8.03975 2.54172 -173.49954 825.85846
3985.0000 -181.46735 -173.46294 8.00440 2.52714 -173.75664 795.43345
3990.0000 -179.57334 -171.30955 8.26379 2.58982 -172.65179 840.23912
3995.0000 -179.81655 -171.28747 8.52907 2.73023 -170.17693 921.12207
4000.0000 -179.07915 -170.88654 8.19260 2.66053 -171.40548 867.68129
FREEZING PROCESS: loop number 17 T-loop= 800.00000000000000
main_MD> interactions number 17 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.12249 -0.99396 -0.37921
force_rgl> df(natom) -1.78437 3.93426 4.66964
4005.0000 -179.18996 -171.46242 7.72754 2.64647 -171.65333 877.61827
4010.0000 -181.69949 -173.09269 8.60679 2.61887 -172.13970 826.08534
4015.0000 -181.30088 -174.00670 7.29418 2.50628 -174.12427 778.25872
4020.0000 -180.71149 -174.02820 6.68330 2.54991 -173.35525 805.48106
4025.0000 -180.62871 -173.43778 7.19093 2.56112 -173.15767 789.58184
4030.0000 -180.53005 -171.80414 8.72591 2.55277 -173.30484 819.39158
4035.0000 -180.74069 -173.09150 7.64919 2.61279 -172.24682 853.37587
4040.0000 -181.00811 -174.00735 7.00076 2.54674 -173.41105 784.12010
4045.0000 -179.79323 -173.46431 6.32892 2.54920 -173.36765 798.53844
4050.0000 -179.12522 -171.75059 7.37462 2.61317 -172.24023 811.34245
4055.0000 -179.81486 -173.53639 6.27847 2.61278 -172.24709 820.69832
4060.0000 -180.52396 -174.20812 6.31584 2.55600 -173.24793 791.30013
4065.0000 -180.53949 -172.95441 7.58508 2.54411 -173.45738 806.73733
4070.0000 -180.43781 -172.75029 7.68752 2.52717 -173.75600 792.46021
4075.0000 -180.89502 -174.21210 6.68292 2.54781 -173.39214 801.04675
4080.0000 -180.79611 -173.50274 7.29337 2.51943 -173.89252 771.62200
4085.0000 -182.34412 -174.32038 8.02374 2.50423 -174.16040 754.52835
4090.0000 -181.86285 -175.33227 6.53058 2.50414 -174.16200 754.44814
4095.0000 -181.90266 -173.95750 7.94516 2.48082 -174.57300 762.92800
4100.0000 -182.30640 -174.79232 7.51409 2.49112 -174.39148 775.98457
4105.0000 -181.06237 -173.99124 7.07113 2.47406 -174.69214 747.51882
4110.0000 -180.45261 -172.92866 7.52395 2.52599 -173.77686 769.60367
4115.0000 -180.13509 -172.51979 7.61530 2.62419 -172.04589 842.35565
4120.0000 -181.57310 -173.87513 7.69797 2.54786 -173.39132 795.13399
4125.0000 -181.11919 -175.00925 6.10995 2.49283 -174.36122 739.96322
4130.0000 -181.02273 -174.17927 6.84346 2.44238 -175.25050 723.77568
4135.0000 -181.26280 -172.89668 8.36611 2.52558 -173.78410 770.90712
4140.0000 -181.69197 -174.08018 7.61178 2.55701 -173.23010 812.15035
4145.0000 -182.18762 -174.88688 7.30074 2.48900 -174.42878 752.92786
4150.0000 -180.15672 -172.50556 7.65116 2.46201 -174.90445 731.06579
4155.0000 -181.48341 -173.90645 7.57696 2.56421 -173.10320 822.67620
4160.0000 -181.87803 -174.22845 7.64959 2.51140 -174.03393 787.47914
4165.0000 -180.26170 -171.80220 8.45950 2.57571 -172.90037 809.69831
4170.0000 -179.32035 -171.65385 7.66650 2.61279 -172.24683 837.38612
4175.0000 -179.15982 -172.27910 6.88072 2.59677 -172.52928 832.74496
4180.0000 -180.67729 -173.04410 7.63319 2.60477 -172.38832 838.06622
4185.0000 -180.59912 -172.69234 7.90678 2.60237 -172.43058 844.33296
4190.0000 -181.01293 -173.31205 7.70088 2.55362 -173.28975 797.27776
4195.0000 -179.00613 -171.14384 7.86229 2.61555 -172.19827 838.99442
4200.0000 -179.71008 -170.62097 9.08911 2.66080 -171.40063 844.52988
4205.0000 -179.69125 -171.70104 7.99020 2.69360 -170.82244 873.63508
4210.0000 -181.46896 -172.99047 8.47849 2.57595 -172.89624 821.14781
4215.0000 -181.85225 -175.06187 6.79038 2.48377 -174.52098 745.72020
4220.0000 -181.90877 -174.44600 7.46277 2.42591 -175.54076 725.10171
4225.0000 -180.84986 -172.47100 8.37887 2.55836 -173.20621 808.54861
4230.0000 -179.76697 -172.35486 7.41211 2.61404 -172.22480 835.64364
4235.0000 -180.81692 -173.20039 7.61654 2.54919 -173.36797 821.14681
4240.0000 -181.38604 -173.77437 7.61166 2.56244 -173.13442 799.59951
4245.0000 -181.34262 -173.55414 7.78849 2.54494 -173.44276 787.13904
4250.0000 -180.69736 -171.92821 8.76914 2.58456 -172.74447 817.57393
FREEZING PROCESS: loop number 18 T-loop= 775.00000000000000
main_MD> interactions number 18 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09157 1.39476 1.57696
force_rgl> df(natom) -1.22084 -0.62501 -3.10861
4255.0000 -181.83840 -173.93743 7.90097 2.60074 -172.45922 822.99781
4260.0000 -181.21292 -173.05258 8.16034 2.50542 -174.13944 802.23908
4265.0000 -182.12031 -174.32472 7.79559 2.52966 -173.71212 810.05817
4270.0000 -181.19148 -174.14309 7.04839 2.48654 -174.47214 768.27547
4275.0000 -180.65510 -172.42619 8.22892 2.57441 -172.92331 812.41821
4280.0000 -181.24171 -172.72333 8.51838 2.58084 -172.81012 833.13800
4285.0000 -181.45811 -173.55944 7.89867 2.56135 -173.15360 798.38347
4290.0000 -179.01742 -171.78681 7.23062 2.60597 -172.36711 821.74040
4295.0000 -181.40424 -173.13820 8.26604 2.60295 -172.42040 841.75137
4300.0000 -181.73070 -173.11672 8.61398 2.55025 -173.34916 812.33933
4305.0000 -181.75077 -172.93575 8.81502 2.54099 -173.51241 793.20798
4310.0000 -181.32349 -174.10532 7.21817 2.51619 -173.94964 802.39134
4315.0000 -181.86446 -174.07575 7.78871 2.53522 -173.61407 793.38662
4320.0000 -180.88310 -174.11316 6.76994 2.51349 -173.99713 752.56304
4325.0000 -181.44055 -174.81126 6.62929 2.49036 -174.40489 759.70693
4330.0000 -180.13085 -173.29944 6.83141 2.48486 -174.50180 761.89975
4335.0000 -180.62293 -174.08544 6.53750 2.56400 -173.10679 815.49268
4340.0000 -182.68356 -173.75431 8.92925 2.50966 -174.06463 782.45593
4345.0000 -182.46190 -174.90323 7.55868 2.44456 -175.21205 750.41382
4350.0000 -181.11927 -174.59295 6.52632 2.41200 -175.78602 718.33009
4355.0000 -182.61427 -175.87225 6.74202 2.42123 -175.62339 732.73830
4360.0000 -182.43939 -175.45000 6.98938 2.38966 -176.17974 699.41859
4365.0000 -182.26722 -174.27321 7.99402 2.49775 -174.27454 777.71253
4370.0000 -182.29587 -175.27497 7.02090 2.46793 -174.80022 759.98841
4375.0000 -181.38174 -172.31281 9.06893 2.51015 -174.05609 777.21123
4380.0000 -182.07034 -172.99059 9.07975 2.56562 -173.07837 825.47648
4385.0000 -181.67830 -174.09217 7.58613 2.55185 -173.32105 812.12382
4390.0000 -182.03048 -174.59093 7.43955 2.51184 -174.02627 790.67550
4395.0000 -182.27137 -174.27496 7.99642 2.48091 -174.57142 775.64941
4400.0000 -181.23427 -173.80048 7.43379 2.49580 -174.30889 780.18069
4405.0000 -180.62913 -173.91080 6.71832 2.52315 -173.82697 772.89535
4410.0000 -180.14236 -173.82323 6.31913 2.53260 -173.66032 781.61050
4415.0000 -180.73795 -173.77901 6.95894 2.53655 -173.59077 793.24281
4420.0000 -183.05681 -174.98051 8.07629 2.51624 -173.94869 805.13481
4425.0000 -182.35911 -175.09904 7.26007 2.51348 -173.99741 781.53527
4430.0000 -181.81088 -174.91853 6.89235 2.45385 -175.04845 728.59879
4435.0000 -179.75285 -173.84779 5.90506 2.48777 -174.45052 757.39144
4440.0000 -180.04232 -172.56272 7.47960 2.52029 -173.87724 745.22323
4445.0000 -181.07128 -175.20121 5.87007 2.56355 -173.11478 780.15305
4450.0000 -182.30256 -175.22486 7.07769 2.44407 -175.22067 751.50871
4455.0000 -181.62283 -173.21888 8.40395 2.53446 -173.62748 774.87586
4460.0000 -181.62970 -173.69984 7.92986 2.52167 -173.85291 789.91560
4465.0000 -180.33070 -173.30553 7.02517 2.53946 -173.53945 798.27923
4470.0000 -181.84245 -174.06237 7.78008 2.48726 -174.45946 753.09742
4475.0000 -180.82719 -175.51884 5.30836 2.44575 -175.19115 751.83521
4480.0000 -180.49360 -173.63063 6.86297 2.47875 -174.60955 750.41979
4485.0000 -183.00911 -175.55212 7.45699 2.47176 -174.73265 760.90600
4490.0000 -183.47359 -175.93343 7.54016 2.43643 -175.35533 753.71401
4495.0000 -181.98796 -174.69967 7.28829 2.47528 -174.67072 752.97945
4500.0000 -181.36239 -173.25520 8.10719 2.50182 -174.20282 744.65263
FREEZING PROCESS: loop number 19 T-loop= 750.00000000000000
main_MD> interactions number 19 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83571 0.61536 1.03228
force_rgl> df(natom) 2.84515 -2.09221 0.12916
4505.0000 -180.19864 -173.17398 7.02466 2.56572 -173.07653 815.99326
4510.0000 -181.26778 -174.44638 6.82139 2.48362 -174.52369 762.68454
4515.0000 -181.79789 -174.49895 7.29894 2.46512 -174.84974 741.93777
4520.0000 -181.49585 -174.02334 7.47251 2.53203 -173.67039 783.73458
4525.0000 -182.71422 -175.53759 7.17662 2.47002 -174.76338 755.53587
4530.0000 -183.21521 -176.72537 6.48984 2.43302 -175.41555 732.04452
4535.0000 -183.64434 -176.38975 7.25458 2.37905 -176.36676 704.69750
4540.0000 -182.72005 -175.95155 6.76850 2.38951 -176.18244 713.28585
4545.0000 -182.19018 -175.90814 6.28204 2.41718 -175.69468 713.67536
4550.0000 -183.62244 -176.69341 6.92903 2.34501 -176.96680 676.55280
4555.0000 -183.01570 -176.08974 6.92596 2.36251 -176.65824 665.21917
4560.0000 -183.36312 -177.27798 6.08514 2.36599 -176.59705 673.80369
4565.0000 -181.86492 -174.87980 6.98512 2.39050 -176.16492 694.42768
4570.0000 -183.90741 -177.84434 6.06308 2.39895 -176.01604 712.64841
4575.0000 -183.19572 -176.28042 6.91530 2.34103 -177.03699 687.29809
4580.0000 -183.10006 -176.82867 6.27139 2.37397 -176.45629 708.59870
4585.0000 -185.12809 -177.69732 7.43077 2.36352 -176.64057 688.19781
4590.0000 -182.90040 -176.26136 6.63904 2.32032 -177.40198 641.72044
4595.0000 -182.64467 -175.20361 7.44106 2.42813 -175.50174 729.39521
4600.0000 -180.25866 -172.47869 7.77997 2.55188 -173.32041 795.78064
4605.0000 -182.19439 -174.96845 7.22594 2.53511 -173.61601 806.78696
4610.0000 -181.64295 -173.81651 7.82644 2.48246 -174.54415 770.02235
4615.0000 -183.47527 -176.01291 7.46235 2.47109 -174.74451 758.41862
4620.0000 -183.88717 -177.03923 6.84794 2.33524 -177.13895 664.70716
4625.0000 -182.81845 -176.31020 6.50825 2.34405 -176.98363 676.81732
4630.0000 -181.44226 -175.23213 6.21013 2.40728 -175.86926 700.79258
4635.0000 -182.46584 -174.13506 8.33079 2.45207 -175.07980 728.53437
4640.0000 -181.57275 -175.33638 6.23637 2.48038 -174.58083 768.02781
4645.0000 -182.09313 -175.45921 6.63392 2.45612 -175.00830 726.83007
4650.0000 -183.45817 -176.48227 6.97590 2.39183 -176.14156 697.32096
4655.0000 -181.10769 -173.98826 7.11943 2.44839 -175.14462 740.17868
4660.0000 -182.40877 -175.36765 7.04113 2.48623 -174.47767 768.85593
4665.0000 -182.38324 -174.83589 7.54735 2.46045 -174.93210 745.96891
4670.0000 -180.59320 -174.80988 5.78332 2.45232 -175.07531 749.41236
4675.0000 -181.23197 -173.81360 7.41837 2.51590 -173.95461 790.13565
4680.0000 -180.97251 -173.43137 7.54114 2.54793 -173.39020 794.20625
4685.0000 -182.44076 -174.41911 8.02165 2.51970 -173.88774 786.66995
4690.0000 -182.67724 -175.52235 7.15489 2.45598 -175.01075 723.67510
4695.0000 -181.15925 -174.26363 6.89561 2.50193 -174.20084 771.76142
4700.0000 -184.08401 -176.79425 7.28975 2.43931 -175.30460 726.28747
4705.0000 -182.16360 -176.13349 6.03010 2.34976 -176.88301 687.19971
4710.0000 -182.55155 -175.33589 7.21566 2.40223 -175.95818 710.55836
4715.0000 -184.50042 -177.35536 7.14506 2.39670 -176.05568 689.00957
4720.0000 -184.35229 -178.45358 5.89872 2.28698 -177.98962 658.00981
4725.0000 -183.93895 -177.01821 6.92074 2.31142 -177.55889 642.72650
4730.0000 -182.19162 -175.30955 6.88207 2.41930 -175.65736 697.17365
4735.0000 -182.84464 -176.19196 6.65268 2.41862 -175.66930 705.61172
4740.0000 -182.52095 -174.46637 8.05458 2.44388 -175.22403 737.41662
4745.0000 -182.09831 -174.31610 7.78221 2.48524 -174.49508 756.32254
4750.0000 -180.60382 -173.11413 7.48969 2.48752 -174.45491 750.95173
FREEZING PROCESS: loop number 20 T-loop= 725.00000000000000
main_MD> interactions number 20 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16513 -2.48073 0.79718
force_rgl> df(natom) -0.48003 -2.02515 -1.74110
4755.0000 -181.35252 -174.53148 6.82104 2.53986 -173.53229 810.60145
4760.0000 -182.20808 -175.43665 6.77143 2.43883 -175.31311 736.63705
4765.0000 -183.90523 -176.68825 7.21698 2.41799 -175.68046 726.62391
4770.0000 -182.04063 -175.25579 6.78484 2.39705 -176.04945 683.90010
4775.0000 -182.90009 -176.67425 6.22584 2.39278 -176.12477 673.57541
4780.0000 -183.59176 -176.45931 7.13245 2.39665 -176.05666 681.82039
4785.0000 -182.11586 -175.91951 6.19635 2.44685 -175.17181 734.92210
4790.0000 -181.75791 -175.57266 6.18525 2.39296 -176.12170 698.48453
4795.0000 -183.37899 -176.75851 6.62048 2.41695 -175.69882 719.04738
4800.0000 -183.44072 -176.64990 6.79082 2.36896 -176.54459 673.61380
4805.0000 -183.40435 -176.83598 6.56837 2.30928 -177.59651 646.36186
4810.0000 -182.67793 -175.00032 7.67761 2.41255 -175.77638 722.47749
4815.0000 -182.50278 -175.78748 6.71530 2.41642 -175.70820 739.61144
4820.0000 -181.92264 -175.65631 6.26633 2.39322 -176.11701 719.99966
4825.0000 -182.59933 -174.72775 7.87158 2.44484 -175.20726 741.98052
4830.0000 -182.74266 -175.80681 6.93585 2.45462 -175.03480 743.98509
4835.0000 -182.58110 -176.19199 6.38911 2.40928 -175.83387 717.69656
4840.0000 -182.74497 -176.52101 6.22396 2.42175 -175.61409 712.86399
4845.0000 -181.80583 -173.63509 8.17074 2.45764 -174.98156 764.09262
4850.0000 -182.35000 -174.61963 7.73037 2.53723 -173.57875 796.45338
4855.0000 -182.18136 -175.22623 6.95514 2.42872 -175.49135 744.04467
4860.0000 -182.58911 -175.13331 7.45580 2.42737 -175.51516 721.69008
4865.0000 -183.24143 -175.91308 7.32834 2.41759 -175.68746 728.17223
4870.0000 -181.64998 -175.33758 6.31240 2.40879 -175.84263 681.38908
4875.0000 -183.45459 -175.12865 8.32594 2.45555 -175.01834 717.84247
4880.0000 -182.62555 -174.74513 7.88043 2.48977 -174.41519 786.39939
4885.0000 -182.28938 -175.10740 7.18198 2.45110 -175.09677 747.84599
4890.0000 -183.04359 -176.56430 6.47929 2.44587 -175.18907 706.07575
4895.0000 -183.15906 -176.57116 6.58789 2.37663 -176.40947 700.02973
4900.0000 -183.36539 -176.44846 6.91693 2.38730 -176.22140 701.05977
4905.0000 -181.24234 -174.98211 6.26023 2.40706 -175.87314 716.20409
4910.0000 -182.77366 -176.02112 6.75253 2.42732 -175.51591 737.24083
4915.0000 -182.28622 -175.56715 6.71907 2.44308 -175.23812 716.90890
4920.0000 -182.36166 -175.17318 7.18847 2.42489 -175.55880 702.71480
4925.0000 -181.72695 -174.37989 7.34706 2.47454 -174.68366 738.56369
4930.0000 -181.44771 -173.27663 8.17108 2.52814 -173.73900 805.64488
4935.0000 -182.60047 -175.74850 6.85197 2.48983 -174.41415 758.87138
4940.0000 -182.04588 -175.01603 7.02985 2.44238 -175.25051 725.72730
4945.0000 -182.10332 -175.45127 6.65206 2.42072 -175.63237 718.67164
4950.0000 -181.57792 -174.38691 7.19101 2.40799 -175.85667 719.96208
4955.0000 -182.98102 -176.49543 6.48559 2.42270 -175.59741 701.73185
4960.0000 -184.55019 -178.06184 6.48836 2.36590 -176.59861 672.87946
4965.0000 -182.29157 -175.14090 7.15067 2.38768 -176.21470 676.03985
4970.0000 -182.60479 -175.45607 7.14872 2.44767 -175.15737 730.01106
4975.0000 -182.98040 -176.45666 6.52374 2.41406 -175.74967 730.23258
4980.0000 -182.45446 -175.41685 7.03761 2.39290 -176.12273 703.19344
4985.0000 -181.63868 -173.79356 7.84512 2.48743 -174.45644 751.16214
4990.0000 -182.49674 -175.21897 7.27778 2.45975 -174.94441 699.25934
4995.0000 -182.98659 -175.25260 7.73399 2.43043 -175.46125 734.82341
5000.0000 -181.52232 -174.63720 6.88512 2.46982 -174.76691 756.24757
FREEZING PROCESS: loop number 21 T-loop= 700.00000000000000
main_MD> interactions number 21 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.77300 -0.72049 1.74017
force_rgl> df(natom) -4.43967 -5.77532 0.57959
5005.0000 -182.13240 -174.21795 7.91446 2.46213 -174.90235 726.45056
5010.0000 -182.41401 -174.62785 7.78616 2.47100 -174.74613 755.39466
5015.0000 -182.57661 -175.90936 6.66724 2.42111 -175.62545 731.97032
5020.0000 -183.83633 -178.06392 5.77240 2.33654 -177.11606 652.63300
5025.0000 -182.32200 -175.57488 6.74712 2.38711 -176.22475 689.50126
5030.0000 -183.81241 -176.86940 6.94301 2.40115 -175.97719 712.39289
5035.0000 -183.57427 -175.94309 7.63118 2.36817 -176.55854 681.52377
5040.0000 -183.12898 -176.18123 6.94775 2.38496 -176.26259 696.28979
5045.0000 -183.42711 -176.84278 6.58433 2.35018 -176.87571 678.62508
5050.0000 -183.30085 -176.71736 6.58350 2.32629 -177.29679 645.59657
5055.0000 -183.24278 -177.14556 6.09722 2.38318 -176.29397 691.23880
5060.0000 -182.23116 -175.92175 6.30941 2.37804 -176.38463 671.64439
5065.0000 -181.74999 -174.99620 6.75379 2.44580 -175.19021 727.45854
5070.0000 -181.58246 -173.49738 8.08508 2.51424 -173.98389 780.93622
5075.0000 -182.39295 -174.90212 7.49083 2.48292 -174.53596 765.38655
5080.0000 -181.76752 -174.78449 6.98303 2.47859 -174.61233 755.76557
5085.0000 -182.99497 -176.30565 6.68931 2.39235 -176.13229 678.51771
5090.0000 -183.55605 -175.37504 8.18102 2.39411 -176.10130 714.64225
5095.0000 -181.77572 -174.60367 7.17205 2.48853 -174.43714 774.02620
5100.0000 -181.95003 -174.47839 7.47164 2.46864 -174.78772 750.96426
5105.0000 -183.20056 -176.75818 6.44238 2.41712 -175.69580 709.67127
5110.0000 -184.00194 -177.39352 6.60842 2.35925 -176.71583 681.08752
5115.0000 -182.88419 -176.88288 6.00131 2.30726 -177.63214 630.49458
5120.0000 -182.33608 -176.25913 6.07695 2.37987 -176.35235 685.46355
5125.0000 -183.03020 -177.21726 5.81294 2.36449 -176.62349 666.43143
5130.0000 -182.85148 -176.36440 6.48708 2.38446 -176.27136 705.88840
5135.0000 -182.81151 -175.71437 7.09714 2.38308 -176.29580 704.20576
5140.0000 -182.66851 -176.94579 5.72272 2.35699 -176.75565 682.70753
5145.0000 -181.51016 -174.09334 7.41682 2.46745 -174.80859 762.76428
5150.0000 -181.88287 -175.10688 6.77599 2.46566 -174.84020 748.93149
5155.0000 -182.13863 -176.27398 5.86465 2.40475 -175.91381 716.75446
5160.0000 -182.86337 -176.73611 6.12726 2.36203 -176.66676 683.80606
5165.0000 -182.33789 -175.49918 6.83871 2.37190 -176.49290 687.39284
5170.0000 -182.13410 -173.72649 8.40761 2.47628 -174.65293 744.21220
5175.0000 -182.02372 -174.58092 7.44280 2.48086 -174.57234 749.09725
5180.0000 -182.09511 -175.64252 6.45260 2.45153 -175.08920 718.28854
5185.0000 -182.80131 -176.06107 6.74024 2.45239 -175.07414 751.19004
5190.0000 -182.76764 -176.56152 6.20612 2.40252 -175.95309 696.71474
5195.0000 -182.71879 -175.31558 7.40321 2.39977 -176.00160 704.49109
5200.0000 -183.33833 -176.08471 7.25362 2.38734 -176.22062 695.82293
5205.0000 -182.05031 -176.34609 5.70422 2.39792 -176.03416 694.39719
5210.0000 -183.93197 -177.03860 6.89336 2.36354 -176.64012 680.92041
5215.0000 -184.21398 -177.10716 7.10682 2.31751 -177.45154 643.58035
5220.0000 -181.62900 -175.00648 6.62252 2.41823 -175.67617 729.07678
5225.0000 -183.00271 -176.99788 6.00483 2.44292 -175.24104 702.92253
5230.0000 -183.36885 -177.19208 6.17677 2.35626 -176.76843 665.42106
5235.0000 -182.18451 -174.75919 7.42532 2.41251 -175.77709 726.20536
5240.0000 -181.54807 -175.42968 6.11840 2.45207 -175.07978 741.40280
5245.0000 -181.47269 -173.98660 7.48608 2.47756 -174.63051 743.93138
5250.0000 -179.52830 -171.94439 7.58391 2.53663 -173.58932 810.88782
FREEZING PROCESS: loop number 22 T-loop= 675.00000000000000
main_MD> interactions number 22 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.72082 1.75596 -3.40563
force_rgl> df(natom) -0.94473 -1.87810 -3.06673
5255.0000 -182.52274 -175.69883 6.82391 2.52172 -173.85214 778.16455
5260.0000 -181.50578 -174.47621 7.02957 2.45408 -175.04434 743.31480
5265.0000 -182.89234 -175.74331 7.14903 2.42550 -175.54798 731.89625
5270.0000 -181.26375 -174.14179 7.12196 2.46231 -174.89918 749.06147
5275.0000 -182.35888 -174.96453 7.39435 2.51638 -173.94617 785.78748
5280.0000 -182.79102 -176.81514 5.97588 2.38185 -176.31749 696.59659
5285.0000 -182.60317 -175.61648 6.98669 2.38712 -176.22448 701.41322
5290.0000 -182.90227 -176.42169 6.48058 2.40557 -175.89942 708.97438
5295.0000 -184.33631 -177.79606 6.54025 2.32747 -177.27586 674.72887
5300.0000 -181.83197 -175.84590 5.98607 2.40134 -175.97387 680.51066
5305.0000 -182.39107 -176.44255 5.94852 2.42003 -175.64453 694.18568
5310.0000 -183.41618 -176.27478 7.14140 2.40606 -175.89071 688.98034
5315.0000 -183.63294 -177.53453 6.09842 2.34059 -177.04465 688.40986
5320.0000 -183.29521 -176.79424 6.50096 2.34424 -176.98040 675.90661
5325.0000 -183.95215 -177.40564 6.54652 2.30349 -177.69867 675.67261
5330.0000 -183.91996 -178.06002 5.85994 2.30996 -177.58457 672.93185
5335.0000 -185.62181 -179.89433 5.72748 2.21523 -179.25436 602.32356
5340.0000 -185.24098 -179.19117 6.04981 2.23678 -178.87453 626.44415
5345.0000 -184.58982 -178.04892 6.54090 2.25050 -178.63266 614.45091
5350.0000 -184.66361 -178.07030 6.59331 2.27465 -178.20702 631.63297
5355.0000 -184.58990 -177.95267 6.63723 2.27067 -178.27715 639.73839
5360.0000 -183.16658 -176.81233 6.35425 2.30227 -177.72018 667.41395
5365.0000 -181.92312 -175.88346 6.03965 2.37791 -176.38692 684.00872
5370.0000 -183.14589 -176.80849 6.33740 2.37793 -176.38651 676.59733
5375.0000 -182.81082 -176.38772 6.42310 2.37115 -176.50611 666.29824
5380.0000 -183.77071 -177.86333 5.90738 2.33786 -177.09289 645.55117
5385.0000 -183.95366 -178.03697 5.91669 2.30690 -177.63843 664.85642
5390.0000 -183.80680 -177.20162 6.60518 2.28748 -177.98077 650.61902
5395.0000 -183.32775 -175.52508 7.80267 2.41632 -175.70982 709.72221
5400.0000 -183.15233 -176.11339 7.03893 2.41835 -175.67406 712.25826
5405.0000 -182.07963 -175.25778 6.82185 2.41848 -175.67184 726.78171
5410.0000 -181.36442 -174.08883 7.27560 2.48988 -174.41338 744.80133
5415.0000 -183.07025 -175.89446 7.17579 2.45990 -174.94173 741.75675
5420.0000 -183.25750 -177.59758 5.65992 2.35787 -176.74009 652.94244
5425.0000 -184.12296 -178.27645 5.84652 2.28194 -178.07845 617.51341
5430.0000 -183.47742 -177.35397 6.12345 2.32094 -177.39099 655.47715
5435.0000 -182.19014 -175.93946 6.25068 2.37240 -176.48393 689.41395
5440.0000 -183.74553 -176.88685 6.85868 2.33302 -177.17820 649.69379
5445.0000 -182.65431 -176.13212 6.52220 2.37547 -176.42995 673.95490
5450.0000 -182.23808 -175.16727 7.07082 2.44616 -175.18386 733.99012
5455.0000 -183.85125 -177.49414 6.35711 2.38166 -176.32086 699.29925
5460.0000 -182.61654 -176.30810 6.30843 2.35719 -176.75210 683.29865
5465.0000 -183.88687 -177.76163 6.12524 2.32693 -177.28539 670.29830
5470.0000 -182.95215 -176.18789 6.76426 2.33955 -177.06305 666.16040
5475.0000 -183.26829 -177.07250 6.19579 2.35336 -176.81969 685.89372
5480.0000 -183.68524 -177.50132 6.18392 2.34731 -176.92625 674.37127
5485.0000 -184.47949 -178.41847 6.06102 2.31465 -177.50199 653.99566
5490.0000 -185.07586 -179.75994 5.31592 2.21609 -179.23908 589.58684
5495.0000 -185.98718 -179.17131 6.81586 2.19612 -179.59118 589.51663
5500.0000 -184.03833 -177.07421 6.96413 2.28667 -177.99500 642.01506
FREEZING PROCESS: loop number 23 T-loop= 650.00000000000000
main_MD> interactions number 23 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.14594 -0.88809 0.62185
force_rgl> df(natom) 0.13472 -1.77610 0.37231
5505.0000 -182.78513 -176.55727 6.22786 2.39316 -176.11817 681.13125
5510.0000 -183.63419 -177.13897 6.49521 2.36025 -176.69824 666.56699
5515.0000 -183.85238 -177.70874 6.14364 2.27876 -178.13454 618.17212
5520.0000 -184.38284 -178.58025 5.80259 2.26273 -178.41710 623.35462
5525.0000 -185.20979 -178.76950 6.44029 2.24827 -178.67200 626.40128
5530.0000 -183.57840 -177.00928 6.56912 2.28901 -177.95387 655.36157
5535.0000 -184.25919 -177.90330 6.35588 2.31928 -177.42028 664.15829
5540.0000 -183.72263 -177.50070 6.22194 2.30735 -177.63065 649.59821
5545.0000 -184.72349 -178.51561 6.20788 2.26546 -178.36889 617.74226
5550.0000 -183.35639 -177.51512 5.84126 2.31115 -177.56369 634.22165
5555.0000 -184.55985 -178.54125 6.01860 2.32229 -177.36717 639.18705
5560.0000 -184.22602 -178.48180 5.74422 2.24291 -178.76633 603.33160
5565.0000 -184.21823 -177.86844 6.34979 2.24227 -178.77761 618.53351
5570.0000 -183.55739 -177.86672 5.69067 2.30388 -177.69182 659.04172
5575.0000 -184.37413 -176.82807 7.54606 2.30484 -177.67488 653.97575
5580.0000 -183.29435 -177.44547 5.84888 2.31653 -177.46882 655.99030
5585.0000 -183.81612 -176.91457 6.90156 2.32682 -177.28743 648.89625
5590.0000 -183.27699 -176.99792 6.27907 2.30926 -177.59688 630.24577
5595.0000 -183.21268 -175.87281 7.33987 2.37350 -176.46466 692.18335
5600.0000 -183.19620 -177.21765 5.97856 2.38164 -176.32121 688.02778
5605.0000 -182.90798 -176.80218 6.10580 2.33568 -177.13118 661.87033
5610.0000 -182.90869 -176.35655 6.55214 2.35148 -176.85275 678.06322
5615.0000 -182.45639 -177.21229 5.24410 2.33365 -177.16702 672.84359
5620.0000 -184.62471 -178.61606 6.00864 2.27870 -178.13556 651.52795
5625.0000 -184.32959 -178.28065 6.04894 2.25915 -178.48018 622.10675
5630.0000 -185.51121 -179.15823 6.35298 2.27805 -178.14696 627.89501
5635.0000 -183.13298 -176.80876 6.32422 2.28295 -178.06060 623.68489
5640.0000 -184.48516 -178.23076 6.25440 2.31108 -177.56485 627.51502
5645.0000 -184.85680 -178.02720 6.82960 2.30214 -177.72250 628.54218
5650.0000 -183.56958 -177.75029 5.81930 2.33328 -177.17352 646.17950
5655.0000 -183.68319 -176.83503 6.84817 2.33655 -177.11591 644.43401
5660.0000 -184.34949 -178.04142 6.30806 2.32101 -177.38973 658.97684
5665.0000 -183.60629 -177.91228 5.69401 2.30034 -177.75422 649.41484
5670.0000 -184.39569 -178.02502 6.37067 2.29935 -177.77167 651.53535
5675.0000 -184.09635 -177.86104 6.23531 2.26144 -178.43974 621.65091
5680.0000 -184.52033 -178.29543 6.22490 2.29081 -177.92217 628.56931
5685.0000 -183.30805 -177.56479 5.74326 2.26723 -178.33767 608.23729
5690.0000 -183.62926 -177.06584 6.56342 2.27269 -178.24147 611.47554
5695.0000 -183.64655 -178.00474 5.64181 2.31100 -177.56628 665.96640
5700.0000 -185.18287 -177.77215 7.41072 2.29210 -177.89940 669.06122
5705.0000 -184.46242 -178.47378 5.98865 2.28790 -177.97333 653.07814
5710.0000 -184.57850 -178.86701 5.71149 2.25411 -178.56902 615.75858
5715.0000 -183.38865 -177.04439 6.34426 2.27240 -178.24660 609.97740
5720.0000 -183.62343 -176.78499 6.83845 2.34506 -176.96599 660.32309
5725.0000 -184.95472 -176.99217 7.96256 2.29875 -177.78218 626.87467
5730.0000 -183.87045 -178.02184 5.84861 2.32510 -177.31778 662.74178
5735.0000 -184.78434 -179.81867 4.96567 2.21125 -179.32447 572.92286
5740.0000 -184.03646 -177.95731 6.07915 2.25270 -178.59387 609.70731
5745.0000 -183.53125 -176.96893 6.56231 2.32482 -177.32270 667.17133
5750.0000 -182.22157 -176.54499 5.67658 2.35123 -176.85713 661.09286
FREEZING PROCESS: loop number 24 T-loop= 625.00000000000000
main_MD> interactions number 24 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98775 1.85041 -2.32697
force_rgl> df(natom) -1.09549 -0.30489 -3.72876
5755.0000 -183.70743 -176.49007 7.21737 2.35980 -176.70612 665.29246
5760.0000 -184.57128 -178.38726 6.18401 2.33426 -177.15627 652.06320
5765.0000 -184.49843 -179.46841 5.03002 2.24597 -178.71243 593.25080
5770.0000 -185.31732 -178.23267 7.08464 2.26038 -178.45839 645.27502
5775.0000 -184.05651 -177.22195 6.83457 2.30708 -177.63534 684.02813
5780.0000 -184.84989 -179.65433 5.19556 2.27141 -178.26404 656.12024
5785.0000 -184.42528 -178.85210 5.57318 2.19820 -179.55446 589.04524
5790.0000 -184.82931 -179.29341 5.53591 2.23701 -178.87043 607.99302
5795.0000 -183.51624 -178.26502 5.25122 2.26866 -178.31251 604.75068
5800.0000 -184.97799 -177.80499 7.17299 2.27054 -178.27946 635.26472
5805.0000 -183.67646 -177.60575 6.07072 2.29438 -177.85920 635.43821
5810.0000 -183.25982 -177.35440 5.90542 2.31963 -177.41408 659.24767
5815.0000 -184.29840 -178.25116 6.04724 2.33224 -177.19189 670.63745
5820.0000 -185.47425 -179.57466 5.89959 2.24758 -178.68406 645.34247
5825.0000 -184.52659 -178.42905 6.09754 2.20082 -179.50831 581.30068
5830.0000 -184.06939 -177.87172 6.19767 2.23089 -178.97832 594.40157
5835.0000 -183.84840 -177.87378 5.97462 2.28957 -177.94405 621.30617
5840.0000 -184.00818 -177.45306 6.55513 2.32104 -177.38931 659.38412
5845.0000 -183.41028 -177.91049 5.49979 2.29611 -177.82864 641.69339
5850.0000 -184.51914 -177.93491 6.58422 2.29411 -177.86387 637.79088
5855.0000 -183.29001 -177.13605 6.15396 2.32711 -177.28233 657.97461
5860.0000 -182.84811 -176.67735 6.17076 2.33333 -177.17274 655.67742
5865.0000 -184.19217 -177.87646 6.31570 2.33563 -177.13219 667.67702
5870.0000 -183.19681 -177.31015 5.88666 2.29781 -177.79871 654.19999
5875.0000 -183.59814 -178.37846 5.21968 2.31823 -177.43886 648.02886
5880.0000 -182.64664 -176.37172 6.27492 2.33833 -177.08456 667.30875
5885.0000 -183.52726 -177.28622 6.24103 2.33413 -177.15849 665.41603
5890.0000 -183.57174 -178.08484 5.48690 2.29968 -177.76584 615.36227
5895.0000 -184.90817 -178.58469 6.32347 2.27912 -178.12825 633.66683
5900.0000 -185.16492 -178.73471 6.43021 2.25071 -178.62886 604.07629
5905.0000 -186.15110 -179.98681 6.16429 2.22697 -179.04736 622.56358
5910.0000 -184.84760 -179.84591 5.00169 2.19264 -179.65248 584.95167
5915.0000 -186.15117 -180.38029 5.77089 2.16979 -180.05526 577.56250
5920.0000 -184.99122 -180.15246 4.83877 2.15720 -180.27711 569.08896
5925.0000 -186.65950 -180.43627 6.22323 2.17737 -179.92163 594.64745
5930.0000 -185.97244 -180.36140 5.61104 2.16978 -180.05541 576.79945
5935.0000 -185.42311 -179.79074 5.63237 2.15910 -180.24356 562.67178
5940.0000 -184.76916 -179.27346 5.49570 2.18628 -179.76459 580.71182
5945.0000 -183.69801 -177.91686 5.78116 2.22090 -179.15444 589.59970
5950.0000 -184.24660 -179.16507 5.08153 2.22895 -179.01241 579.48591
5955.0000 -183.76441 -177.70470 6.05971 2.23841 -178.84564 600.77780
5960.0000 -183.79510 -177.93973 5.85536 2.32089 -177.39186 671.20488
5965.0000 -183.33535 -176.89096 6.44440 2.32972 -177.23629 679.25195
5970.0000 -185.27872 -179.68999 5.58873 2.27422 -178.21459 627.47989
5975.0000 -184.41533 -178.75841 5.65692 2.23610 -178.88638 601.47000
5980.0000 -184.91073 -178.14701 6.76372 2.26659 -178.34894 623.14729
5985.0000 -185.52722 -180.02857 5.49864 2.22898 -179.01194 589.23631
5990.0000 -184.10128 -178.65084 5.45044 2.26493 -178.37826 613.94541
5995.0000 -184.14450 -178.47708 5.66742 2.21698 -179.22342 564.94509
6000.0000 -183.63241 -176.12301 7.50940 2.30919 -177.59811 647.81408
FREEZING PROCESS: loop number 25 T-loop= 600.00000000000000
main_MD> interactions number 25 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01952 -1.30999 -0.44262
force_rgl> df(natom) 3.22110 0.24801 2.69972
6005.0000 -184.65438 -178.85142 5.80296 2.29825 -177.79106 629.70262
6010.0000 -185.35931 -179.33035 6.02895 2.24131 -178.79456 596.92089
6015.0000 -183.33612 -178.15486 5.18127 2.23604 -178.88753 592.92614
6020.0000 -183.90765 -179.32629 4.58135 2.21392 -179.27737 564.69177
6025.0000 -184.95616 -178.16427 6.79189 2.21651 -179.23177 604.68776
6030.0000 -185.30975 -179.21785 6.09190 2.24318 -178.76165 600.54231
6035.0000 -185.80130 -179.82529 5.97601 2.22028 -179.16521 583.90272
6040.0000 -185.55688 -179.61052 5.94636 2.15357 -180.34119 535.79322
6045.0000 -185.08474 -178.33705 6.74769 2.19307 -179.64496 594.78937
6050.0000 -185.10924 -179.04496 6.06428 2.21090 -179.33056 576.71842
6055.0000 -185.73049 -180.38750 5.34299 2.20614 -179.41449 577.38188
6060.0000 -184.66176 -178.66303 5.99873 2.19626 -179.58874 561.89552
6065.0000 -185.08165 -180.23033 4.85132 2.16211 -180.19057 559.18445
6070.0000 -185.50361 -179.03850 6.46511 2.20612 -179.41485 602.98693
6075.0000 -184.72067 -178.10170 6.61897 2.25488 -178.55541 642.43397
6080.0000 -185.25789 -179.41733 5.84056 2.24839 -178.66980 610.95535
6085.0000 -182.82726 -177.78593 5.04133 2.24569 -178.71732 598.74234
6090.0000 -184.81381 -179.21607 5.59774 2.28315 -178.05717 629.68084
6095.0000 -185.35019 -179.68884 5.66136 2.21620 -179.23720 589.18038
6100.0000 -184.90431 -179.54033 5.36398 2.18692 -179.75324 583.84563
6105.0000 -185.82346 -180.47700 5.34646 2.17458 -179.97077 564.93367
6110.0000 -184.87619 -178.58551 6.29069 2.19307 -179.64495 571.72993
6115.0000 -184.87744 -178.67975 6.19769 2.22475 -179.08642 578.99212
6120.0000 -185.22131 -178.84953 6.37178 2.21624 -179.23642 599.50423
6125.0000 -184.35865 -178.71471 5.64393 2.20737 -179.39292 572.57984
6130.0000 -185.73645 -179.84753 5.88892 2.19881 -179.54368 565.70403
6135.0000 -184.39652 -179.43772 4.95879 2.22076 -179.15689 582.67357
6140.0000 -184.51046 -178.73257 5.77789 2.18413 -179.80246 567.63949
6145.0000 -186.44213 -180.03797 6.40415 2.21115 -179.32625 625.46556
6150.0000 -185.56807 -179.81859 5.74948 2.17174 -180.02090 581.12403
6155.0000 -186.24585 -180.84292 5.40292 2.17957 -179.88276 590.08518
6160.0000 -185.44794 -180.40805 5.03989 2.14727 -180.45222 560.62359
6165.0000 -185.44642 -180.35788 5.08853 2.17174 -180.02091 566.61314
6170.0000 -184.38214 -178.87269 5.50945 2.19069 -179.68682 571.77669
6175.0000 -184.05977 -178.51698 5.54279 2.25976 -178.46942 615.46917
6180.0000 -184.85672 -179.54570 5.31102 2.23895 -178.83628 604.00379
6185.0000 -182.85856 -176.48770 6.37086 2.31498 -177.49613 652.59893
6190.0000 -184.66277 -178.22592 6.43686 2.36020 -176.69906 674.07313
6195.0000 -184.17134 -178.43436 5.73698 2.27152 -178.26216 609.97772
6200.0000 -184.67284 -179.59842 5.07441 2.22078 -179.15641 570.76999
6205.0000 -184.70004 -178.77934 5.92069 2.24262 -178.77150 604.84738
6210.0000 -184.58774 -178.71680 5.87093 2.23609 -178.88667 615.34879
6215.0000 -184.76140 -178.95418 5.80722 2.20774 -179.38628 599.40710
6220.0000 -184.72427 -178.67986 6.04441 2.27043 -178.28132 649.21481
6225.0000 -183.88012 -178.03363 5.84649 2.26874 -178.31109 647.89476
6230.0000 -184.66033 -178.68571 5.97462 2.29434 -177.85983 654.90225
6235.0000 -184.75571 -178.86588 5.88984 2.22238 -179.12820 606.26005
6240.0000 -184.55068 -179.19480 5.35588 2.22691 -179.04838 584.39531
6245.0000 -184.81395 -179.29751 5.51644 2.22794 -179.03027 566.80764
6250.0000 -184.61616 -179.75161 4.86455 2.19238 -179.65709 562.91343
FREEZING PROCESS: loop number 26 T-loop= 575.00000000000000
main_MD> interactions number 26 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.15796 0.31470 0.32498
force_rgl> df(natom) 1.09453 1.18977 4.19050
6255.0000 -184.51418 -179.17642 5.33776 2.24177 -178.78650 605.49085
6260.0000 -185.08060 -177.55343 7.52717 2.27454 -178.20893 638.61879
6265.0000 -185.23306 -179.71701 5.51605 2.24117 -178.79710 604.29874
6270.0000 -184.61613 -179.74977 4.86636 2.16875 -180.07357 539.92238
6275.0000 -185.61028 -179.84483 5.76545 2.17232 -180.01059 556.98278
6280.0000 -185.99491 -180.11122 5.88370 2.18838 -179.72759 573.35303
6285.0000 -185.24525 -179.54181 5.70344 2.18266 -179.82845 583.19898
6290.0000 -185.41578 -179.83251 5.58327 2.21946 -179.17966 606.17839
6295.0000 -183.68113 -178.88962 4.79151 2.20127 -179.50029 576.29922
6300.0000 -184.91750 -178.47656 6.44094 2.23028 -178.98900 581.83535
6305.0000 -184.74287 -179.05004 5.69283 2.25012 -178.63926 613.77773
6310.0000 -185.87792 -180.46156 5.41637 2.17702 -179.92779 558.23535
6315.0000 -185.59313 -180.70728 4.88584 2.16335 -180.16880 547.33894
6320.0000 -184.64332 -179.00919 5.63412 2.17074 -180.03850 538.42762
6325.0000 -182.76749 -177.94215 4.82534 2.27526 -178.19612 608.89002
6330.0000 -184.11546 -178.94614 5.16932 2.29380 -177.86942 630.34622
6335.0000 -185.83166 -180.84923 4.98243 2.19935 -179.53423 588.31819
6340.0000 -185.17131 -180.03403 5.13728 2.16401 -180.15702 540.00124
6345.0000 -184.05803 -178.36766 5.69037 2.24371 -178.75228 588.73848
6350.0000 -184.74796 -179.46622 5.28174 2.19333 -179.64039 541.62202
6355.0000 -184.53626 -178.87431 5.66195 2.22018 -179.16706 600.46666
6360.0000 -185.33055 -179.71194 5.61860 2.19798 -179.55827 571.86472
6365.0000 -184.82954 -178.89692 5.93262 2.20037 -179.51629 580.56855
6370.0000 -183.97299 -178.85284 5.12015 2.23876 -178.83953 639.16549
6375.0000 -184.74217 -178.95380 5.78837 2.25677 -178.52202 644.94427
6380.0000 -185.04216 -178.71020 6.33196 2.19553 -179.60156 583.60685
6385.0000 -185.01476 -179.84142 5.17334 2.21428 -179.27105 576.40676
6390.0000 -186.07927 -181.29869 4.78058 2.14166 -180.55112 519.97153
6395.0000 -186.18145 -180.40326 5.77818 2.12580 -180.83054 520.37430
6400.0000 -185.78823 -180.58868 5.19955 2.11745 -180.97779 527.62791
6405.0000 -185.23309 -179.11417 6.11891 2.17620 -179.94227 566.13405
6410.0000 -184.62148 -179.33673 5.28475 2.22959 -179.00110 602.91073
6415.0000 -184.45876 -178.70767 5.75109 2.21533 -179.25253 588.08090
6420.0000 -185.18054 -179.26244 5.91810 2.23224 -178.95442 572.90208
6425.0000 -185.96874 -180.75308 5.21567 2.19211 -179.66183 561.09474
6430.0000 -185.23602 -180.10442 5.13160 2.15060 -180.39346 531.25454
6435.0000 -184.47780 -178.58014 5.89766 2.24384 -178.75002 593.80317
6440.0000 -184.90309 -179.06640 5.83670 2.21574 -179.24525 588.33864
6445.0000 -184.90590 -179.66884 5.23706 2.20253 -179.47812 563.49421
6450.0000 -184.69403 -178.90767 5.78636 2.21155 -179.31922 569.80938
6455.0000 -185.42006 -180.09894 5.32112 2.20078 -179.50902 580.79088
6460.0000 -186.21587 -181.00632 5.20955 2.11690 -180.98737 508.09036
6465.0000 -185.91186 -180.78073 5.13112 2.11705 -180.98477 533.10906
6470.0000 -187.36711 -182.10888 5.25824 2.09654 -181.34633 525.56851
6475.0000 -185.51139 -179.76183 5.74956 2.11693 -180.98697 556.85979
6480.0000 -184.55077 -179.14782 5.40295 2.19925 -179.53589 586.54958
6485.0000 -184.94921 -178.95781 5.99140 2.26095 -178.44844 603.15943
6490.0000 -184.29638 -178.85920 5.43718 2.21912 -179.18567 584.69167
6495.0000 -185.09093 -178.64115 6.44978 2.21233 -179.30539 584.49921
6500.0000 -184.63004 -179.32763 5.30241 2.26513 -178.37476 650.04459
FREEZING PROCESS: loop number 27 T-loop= 550.00000000000000
main_MD> interactions number 27 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57875 4.84646 -3.07894
force_rgl> df(natom) 1.94476 2.95824 -0.75233
6505.0000 -186.73803 -181.74300 4.99502 2.14646 -180.46636 570.34649
6510.0000 -186.77709 -182.71371 4.06337 2.05117 -182.14608 488.86517
6515.0000 -186.35315 -181.65834 4.69480 2.05671 -182.04837 482.45328
6520.0000 -185.64675 -180.11542 5.53133 2.11873 -180.95514 522.21496
6525.0000 -184.81341 -179.49882 5.31459 2.16481 -180.14306 553.54069
6530.0000 -186.28274 -180.68942 5.59333 2.13972 -180.58532 541.40768
6535.0000 -186.81245 -181.03623 5.77622 2.10065 -181.27393 519.38111
6540.0000 -185.46730 -179.92579 5.54151 2.15230 -180.36345 551.66118
6545.0000 -186.94985 -181.58081 5.36904 2.16658 -180.11174 573.44341
6550.0000 -185.23448 -180.78792 4.44656 2.13367 -180.69189 512.80528
6555.0000 -186.62950 -182.11076 4.51873 2.10614 -181.17718 494.32344
6560.0000 -185.36534 -180.53125 4.83409 2.12654 -180.81756 515.81393
6565.0000 -185.52399 -180.27285 5.25114 2.13148 -180.73040 525.65446
6570.0000 -185.85897 -180.79914 5.05984 2.12810 -180.78998 516.14422
6575.0000 -185.04882 -179.89987 5.14894 2.15084 -180.38926 545.10234
6580.0000 -184.37738 -178.83407 5.54331 2.20628 -179.41196 579.99774
6585.0000 -185.06165 -179.94445 5.11720 2.21375 -179.28032 599.91886
6590.0000 -185.93651 -180.00560 5.93091 2.20955 -179.35440 576.41659
6595.0000 -186.32066 -180.39464 5.92602 2.19677 -179.57972 592.80200
6600.0000 -185.63832 -180.95720 4.68112 2.16180 -180.19611 562.74211
6605.0000 -185.30908 -180.22692 5.08216 2.13772 -180.62043 555.37404
6610.0000 -186.50694 -181.12059 5.38635 2.14689 -180.45888 536.71837
6615.0000 -186.26339 -180.21012 6.05327 2.13644 -180.64310 539.67339
6620.0000 -185.49248 -180.72550 4.76698 2.15378 -180.33748 549.37228
6625.0000 -185.29497 -180.09960 5.19538 2.16139 -180.20332 528.15986
6630.0000 -185.74441 -179.96195 5.78246 2.18080 -179.86123 565.01507
6635.0000 -184.69639 -179.33425 5.36214 2.19324 -179.64181 571.41167
6640.0000 -184.57308 -179.68194 4.89114 2.19595 -179.59404 579.78572
6645.0000 -185.54386 -179.94467 5.59919 2.19993 -179.52400 598.96437
6650.0000 -185.72849 -180.64445 5.08404 2.14385 -180.51252 563.52171
6655.0000 -186.06657 -180.52917 5.53739 2.13810 -180.61384 548.09122
6660.0000 -186.13028 -180.50098 5.62930 2.14393 -180.51096 547.53794
6665.0000 -185.92316 -180.51235 5.41081 2.15216 -180.36597 553.46658
6670.0000 -184.95888 -178.90216 6.05673 2.18220 -179.83652 557.36374
6675.0000 -186.20273 -181.02460 5.17813 2.17180 -180.01971 585.00078
6680.0000 -185.79894 -179.99743 5.80151 2.13759 -180.62279 528.52658
6685.0000 -185.10735 -179.94928 5.15808 2.19289 -179.64802 591.66668
6690.0000 -186.23288 -179.83261 6.40027 2.16195 -180.19341 573.75882
6695.0000 -185.66955 -180.02090 5.64865 2.18795 -179.73519 571.96484
6700.0000 -185.25500 -179.79281 5.46219 2.17309 -179.99703 536.47396
6705.0000 -185.20950 -179.77784 5.43166 2.18508 -179.78573 562.35034
6710.0000 -185.17537 -179.66859 5.50678 2.19736 -179.56919 547.29800
6715.0000 -185.99477 -180.21685 5.77792 2.13975 -180.58475 528.52694
6720.0000 -186.39712 -180.80075 5.59637 2.17435 -179.97486 557.38975
6725.0000 -185.74117 -180.82386 4.91731 2.10751 -181.15288 527.78250
6730.0000 -185.92403 -180.83166 5.09237 2.14160 -180.55207 547.76744
6735.0000 -185.45567 -180.59733 4.85835 2.15642 -180.29081 556.68448
6740.0000 -186.34262 -180.49752 5.84510 2.14695 -180.45787 544.20074
6745.0000 -185.75112 -180.27033 5.48079 2.18576 -179.77367 588.92707
6750.0000 -185.40238 -179.60722 5.79516 2.14579 -180.47826 542.97338
FREEZING PROCESS: loop number 28 T-loop= 525.00000000000000
main_MD> interactions number 28 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76177 -1.95826 -1.01157
force_rgl> df(natom) -1.43474 1.53664 0.55934
6755.0000 -185.18488 -179.92747 5.25741 2.18507 -179.78584 561.48172
6760.0000 -186.12269 -180.88558 5.23711 2.13177 -180.72544 556.60078
6765.0000 -186.76194 -181.30677 5.45517 2.10237 -181.24353 531.68112
6770.0000 -187.61678 -182.73646 4.88032 2.05904 -182.00734 527.69351
6775.0000 -188.41820 -183.62734 4.79086 1.96067 -183.74109 479.38508
6780.0000 -187.07035 -182.07048 4.99987 1.98555 -183.30262 498.83287
6785.0000 -188.44829 -183.29597 5.15232 2.02271 -182.64760 531.36908
6790.0000 -188.47615 -183.30106 5.17509 1.98414 -183.32747 498.06596
6795.0000 -187.43270 -183.01091 4.42180 1.98340 -183.34054 487.61275
6800.0000 -186.98825 -181.94825 5.03999 2.03274 -182.47088 533.48867
6805.0000 -187.32015 -182.16614 5.15400 2.03335 -182.46016 547.21701
6810.0000 -187.33018 -182.23208 5.09810 2.01218 -182.83332 524.55734
6815.0000 -188.27956 -182.80937 5.47019 2.02268 -182.64819 527.58011
6820.0000 -187.57338 -181.91411 5.65927 2.04334 -182.28411 541.28653
6825.0000 -187.48745 -183.47563 4.01183 2.02214 -182.65774 517.60861
6830.0000 -188.20635 -183.70739 4.49895 1.96470 -183.67015 478.80318
6835.0000 -187.87137 -183.08156 4.78981 1.95990 -183.75466 481.52753
6840.0000 -187.46484 -181.99599 5.46885 2.01698 -182.74869 526.52462
6845.0000 -186.96061 -180.95147 6.00914 2.08443 -181.55970 555.77117
6850.0000 -187.17883 -182.35134 4.82748 2.07446 -181.73559 561.57665
6855.0000 -187.78513 -182.18795 5.59718 2.03026 -182.51464 530.32057
6860.0000 -187.65413 -183.24925 4.40488 2.03150 -182.49279 527.23085
6865.0000 -188.26673 -183.32435 4.94238 2.00252 -183.00361 516.55133
6870.0000 -188.09951 -182.58828 5.51123 1.99920 -183.06202 515.67808
6875.0000 -188.17701 -183.39281 4.78420 1.99432 -183.14811 509.64691
6880.0000 -187.64164 -182.84740 4.79424 1.99551 -183.12707 506.29757
6885.0000 -187.54479 -182.43487 5.10991 2.01093 -182.85523 522.85079
6890.0000 -187.89843 -182.29380 5.60464 2.03294 -182.46739 541.31810
6895.0000 -187.93590 -182.40294 5.53296 2.07070 -181.80182 574.61758
6900.0000 -186.94910 -182.23957 4.70953 2.05516 -182.07574 549.19728
6905.0000 -188.60486 -183.11106 5.49380 2.01947 -182.70476 525.60358
6910.0000 -188.28085 -183.52490 4.75595 1.99327 -183.16657 506.56898
6915.0000 -187.83752 -182.48926 5.34826 2.02825 -182.55002 522.86886
6920.0000 -186.95076 -181.79584 5.15493 2.03599 -182.41351 537.84238
6925.0000 -187.72298 -182.42004 5.30295 2.08074 -181.62483 563.57196
6930.0000 -188.53213 -182.74504 5.78710 2.03504 -182.43037 522.89876
6935.0000 -188.16442 -183.83637 4.32805 1.98642 -183.28725 501.06320
6940.0000 -188.17145 -182.33463 5.83682 2.00114 -183.02776 514.99604
6945.0000 -187.86416 -183.04019 4.82397 2.03261 -182.47318 542.32643
6950.0000 -187.27581 -182.96728 4.30852 2.00766 -182.91292 516.45371
6955.0000 -187.70084 -182.16064 5.54020 2.05320 -182.11027 534.08130
6960.0000 -188.21109 -183.50013 4.71097 1.98386 -183.33244 505.40534
6965.0000 -186.97492 -181.35306 5.62186 2.01273 -182.82363 519.64630
6970.0000 -187.33433 -181.97588 5.35844 2.10034 -181.27933 574.58404
6975.0000 -187.55715 -182.89500 4.66215 2.05487 -182.08079 555.67973
6980.0000 -187.97741 -182.62990 5.34752 2.00355 -182.98532 520.12575
6985.0000 -185.93012 -180.95522 4.97491 2.07982 -181.64101 568.20193
6990.0000 -186.70502 -181.87409 4.83093 2.09257 -181.41635 589.27663
6995.0000 -187.64762 -180.95863 6.68900 2.08918 -181.47608 583.38929
7000.0000 -187.67575 -182.68550 4.99024 2.07227 -181.77419 553.76054
FREEZING PROCESS: loop number 29 T-loop= 500.00000000000000
main_MD> interactions number 29 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.01734 -1.66309 -1.22476
force_rgl> df(natom) -0.27128 2.98929 0.24523
7005.0000 -188.38827 -183.21817 5.17009 2.00251 -183.00377 513.36023
7010.0000 -187.78099 -183.02906 4.75194 2.00204 -183.01196 519.16969
7015.0000 -187.65964 -183.22143 4.43821 1.99901 -183.06538 507.57548
7020.0000 -188.57214 -183.49209 5.08005 1.97660 -183.46037 486.81693
7025.0000 -187.74966 -183.77394 3.97573 1.98319 -183.34417 496.99908
7030.0000 -187.38916 -183.05421 4.33494 1.96645 -183.63934 488.75476
7035.0000 -187.61047 -182.67548 4.93499 2.00409 -182.97582 518.80483
7040.0000 -189.20677 -183.17376 6.03301 1.99557 -183.12611 512.90535
7045.0000 -187.42200 -181.69086 5.73114 2.03676 -182.39996 544.31118
7050.0000 -186.98882 -181.93294 5.05588 2.04973 -182.17134 554.55976
7055.0000 -187.97083 -183.86179 4.10904 1.96565 -183.65347 481.13902
7060.0000 -188.23623 -183.03994 5.19629 1.94459 -184.02457 462.20710
7065.0000 -188.30841 -184.24960 4.05882 1.96054 -183.74352 477.59602
7070.0000 -187.64545 -182.05288 5.59256 1.98799 -183.25967 486.29396
7075.0000 -188.09911 -182.90032 5.19880 2.03587 -182.41562 534.52386
7080.0000 -188.14361 -183.68124 4.46237 2.00350 -182.98623 522.61987
7085.0000 -188.63812 -184.84339 3.79473 1.93178 -184.25034 464.37938
7090.0000 -187.68779 -182.39358 5.29421 1.97556 -183.47880 492.30896
7095.0000 -188.68055 -183.82194 4.85861 1.99250 -183.18021 490.28067
7100.0000 -187.37392 -183.01409 4.35983 1.99627 -183.11360 492.22831
7105.0000 -188.25043 -182.89353 5.35690 2.03909 -182.35894 543.41623
7110.0000 -188.59298 -184.09280 4.50017 1.97875 -183.42243 496.84519
7115.0000 -187.35831 -181.98967 5.36864 2.01380 -182.80470 528.52883
7120.0000 -188.75120 -183.73820 5.01300 2.01218 -182.83330 532.69465
7125.0000 -188.27501 -183.39251 4.88250 1.98598 -183.29502 503.22593
7130.0000 -187.91175 -183.67215 4.23960 2.00638 -182.93558 510.29609
7135.0000 -187.70043 -183.45321 4.24722 1.96584 -183.65011 471.68025
7140.0000 -188.65698 -183.62383 5.03315 1.96991 -183.57838 477.79075
7145.0000 -187.10687 -182.94552 4.16135 1.97660 -183.46045 486.35895
7150.0000 -187.81891 -183.32282 4.49609 1.99137 -183.20000 499.44691
7155.0000 -187.84602 -182.61388 5.23214 1.99048 -183.21568 500.02017
7160.0000 -187.69485 -181.91141 5.78344 2.04497 -182.25528 541.60595
7165.0000 -188.10328 -182.98075 5.12253 2.05022 -182.16283 536.52612
7170.0000 -187.75800 -183.23947 4.51853 1.97740 -183.44632 479.90592
7175.0000 -188.48338 -183.10291 5.38047 2.00311 -182.99312 495.31471
7180.0000 -186.79200 -182.52694 4.26506 2.02101 -182.67767 509.21433
7185.0000 -186.50275 -181.12670 5.37605 2.04186 -182.31004 523.79550
7190.0000 -187.37689 -181.75409 5.62280 2.07786 -181.67566 541.13840
7195.0000 -187.51376 -183.19673 4.31703 1.99644 -183.11071 505.89929
7200.0000 -187.42094 -182.54158 4.87936 1.99949 -183.05697 493.45615
7205.0000 -186.42042 -181.03525 5.38518 2.07811 -181.67117 545.72895
7210.0000 -187.31564 -182.71801 4.59763 2.05378 -182.10004 500.47103
7215.0000 -186.52318 -181.67901 4.84416 2.05203 -182.13086 476.38801
7220.0000 -186.39597 -181.91745 4.47851 2.07995 -181.63879 486.93762
7225.0000 -186.48562 -182.44487 4.04076 2.05847 -182.01732 483.64974
7230.0000 -186.54031 -181.82670 4.71361 2.04464 -182.26115 492.69861
7235.0000 -186.88124 -181.73300 5.14825 2.06855 -181.83961 478.81426
7240.0000 -186.21801 -181.00434 5.21367 2.09234 -181.42027 483.68945
7245.0000 -185.37054 -180.74890 4.62164 2.11322 -181.05239 511.59781
7250.0000 -186.15743 -180.88417 5.27326 2.10531 -181.19166 515.09185
FREEZING PROCESS: loop number 30 T-loop= 475.00000000000000
main_MD> interactions number 30 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.57511 3.46701 -0.70196
force_rgl> df(natom) -1.26785 -0.08274 -0.31891
7255.0000 -185.78055 -181.21638 4.56417 2.10921 -181.12296 501.16490
7260.0000 -186.00504 -181.45846 4.54658 2.10989 -181.11098 494.96327
7265.0000 -186.53303 -181.86358 4.66945 2.08814 -181.49442 488.69825
7270.0000 -186.06693 -181.88481 4.18212 2.05879 -182.01176 474.38622
7275.0000 -186.40148 -181.52356 4.87792 2.06178 -181.95901 494.09775
7280.0000 -186.71014 -181.64632 5.06382 2.06907 -181.83057 507.44726
7285.0000 -187.61598 -183.14838 4.46760 2.02388 -182.62695 473.09414
7290.0000 -188.12993 -183.44608 4.68386 1.97417 -183.50315 439.94365
7295.0000 -188.26227 -183.88321 4.37905 1.95393 -183.85994 436.16495
7300.0000 -188.56221 -183.25043 5.31178 1.97260 -183.53097 477.62340
7305.0000 -186.72076 -182.66026 4.06050 2.01036 -182.86539 509.63795
7310.0000 -187.74349 -184.02758 3.71590 1.97424 -183.50197 470.67593
7315.0000 -187.81512 -183.01518 4.79995 1.95310 -183.87461 457.40163
7320.0000 -188.06731 -183.43131 4.63600 1.98406 -183.32884 478.42617
7325.0000 -188.22424 -182.83128 5.39295 1.99931 -183.06018 497.93177
7330.0000 -187.72446 -182.86000 4.86445 1.99947 -183.05727 491.28731
7335.0000 -187.10091 -182.93076 4.17015 1.99859 -183.07281 491.85714
7340.0000 -187.31585 -182.66191 4.65394 2.01087 -182.85640 508.95702
7345.0000 -186.70252 -182.07603 4.62649 2.03826 -182.37350 524.69591
7350.0000 -187.61479 -182.50650 5.10829 2.02133 -182.67190 509.46181
7355.0000 -186.52787 -181.87195 4.65592 2.03737 -182.38928 517.13533
7360.0000 -187.66044 -182.61158 5.04886 2.05204 -182.13076 518.92999
7365.0000 -188.38900 -183.35361 5.03538 1.96779 -183.61572 471.42361
7370.0000 -188.67248 -183.56089 5.11159 1.97193 -183.54271 481.29746
7375.0000 -188.82070 -183.81031 5.01039 1.94899 -183.94711 460.24065
7380.0000 -188.15593 -183.81451 4.34142 1.96141 -183.72807 463.42761
7385.0000 -187.44589 -182.92668 4.51921 2.00415 -182.97484 494.80728
7390.0000 -187.58775 -182.80368 4.78407 2.02109 -182.67627 519.24338
7395.0000 -187.78828 -183.39159 4.39668 1.99913 -183.06332 485.14993
7400.0000 -187.47934 -182.34020 5.13913 1.99945 -183.05766 485.21833
7405.0000 -188.41646 -183.58523 4.83123 2.01580 -182.76950 510.25486
7410.0000 -187.85214 -183.27203 4.58010 1.98239 -183.35841 484.36180
7415.0000 -188.22140 -183.69784 4.52356 1.99055 -183.21449 497.66522
7420.0000 -187.72627 -182.88329 4.84297 2.00405 -182.97654 490.67806
7425.0000 -188.09240 -183.32746 4.76494 1.98467 -183.31810 486.96389
7430.0000 -188.62881 -183.74266 4.88615 1.95120 -183.90814 459.94580
7435.0000 -188.98101 -184.38745 4.59356 1.93120 -184.26069 451.73155
7440.0000 -187.72765 -181.84020 5.88745 1.98139 -183.37593 492.66474
7445.0000 -188.04813 -183.16754 4.88059 2.02507 -182.60604 525.58630
7450.0000 -188.23408 -183.84043 4.39365 1.98841 -183.25218 492.55139
7455.0000 -187.15718 -183.03784 4.11933 1.96111 -183.73339 468.05239
7460.0000 -188.03548 -182.70461 5.33086 2.01084 -182.85691 510.19926
7465.0000 -187.42702 -182.93533 4.49169 2.00570 -182.94744 507.55886
7470.0000 -187.64817 -182.79229 4.85588 2.00228 -183.00772 471.30539
7475.0000 -187.87762 -182.91251 4.96510 1.97606 -183.46984 475.69954
7480.0000 -187.95712 -183.36637 4.59076 1.98270 -183.35290 464.62562
7485.0000 -187.42037 -183.12106 4.29932 1.96393 -183.68372 446.56822
7490.0000 -186.97819 -182.08626 4.89193 2.01141 -182.84679 486.45623
7495.0000 -186.86888 -182.37335 4.49552 2.04506 -182.25369 516.29152
7500.0000 -187.93087 -183.71491 4.21596 1.99419 -183.15038 484.63974
FREEZING PROCESS: loop number 31 T-loop= 450.00000000000000
main_MD> interactions number 31 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.07118 -0.48739 -1.81133
force_rgl> df(natom) 7.51189 0.55828 -1.40500
7505.0000 -188.39442 -184.71051 3.68392 1.95733 -183.80008 466.47816
7510.0000 -188.44839 -184.49474 3.95364 1.91562 -184.53530 442.17082
7515.0000 -188.76320 -184.28783 4.47537 1.91242 -184.59172 439.11128
7520.0000 -189.32266 -185.12246 4.20020 1.88330 -185.10497 415.90161
7525.0000 -188.18949 -183.90179 4.28770 1.90745 -184.67920 431.22519
7530.0000 -187.75695 -182.92491 4.83203 1.98793 -183.26073 498.34948
7535.0000 -189.00670 -184.50052 4.50618 1.93193 -184.24778 451.71342
7540.0000 -189.11532 -185.10451 4.01081 1.89788 -184.84798 426.42182
7545.0000 -188.93536 -185.32181 3.61356 1.87964 -185.16946 412.15290
7550.0000 -188.03185 -184.02542 4.00643 1.92280 -184.40874 449.33066
7555.0000 -189.28008 -185.45611 3.82396 1.90293 -184.75891 427.65285
7560.0000 -188.93806 -185.04455 3.89350 1.87572 -185.23849 412.49104
7565.0000 -188.51476 -184.61554 3.89922 1.88936 -184.99813 417.01966
7570.0000 -188.86010 -184.93784 3.92225 1.93153 -184.25479 455.76435
7575.0000 -188.63701 -184.57841 4.05860 1.88795 -185.02288 423.07638
7580.0000 -189.08898 -183.93159 5.15739 1.91307 -184.58023 436.57804
7585.0000 -188.55994 -183.74774 4.81220 1.95553 -183.83185 470.14305
7590.0000 -187.89267 -183.82566 4.06700 1.95909 -183.76898 468.04490
7595.0000 -188.64452 -184.32305 4.32147 1.94017 -184.10249 458.30962
7600.0000 -189.41424 -184.80152 4.61272 1.89715 -184.86085 425.81180
7605.0000 -188.75980 -184.46450 4.29530 1.90970 -184.63954 429.07743
7610.0000 -188.60720 -184.05685 4.55035 1.94357 -184.04255 465.92574
7615.0000 -188.84857 -183.75545 5.09312 1.95143 -183.90399 468.02640
7620.0000 -188.25516 -183.28586 4.96930 1.96757 -183.61953 481.48754
7625.0000 -189.22986 -184.82621 4.40365 1.92412 -184.38549 443.57008
7630.0000 -188.52924 -184.73573 3.79351 1.89978 -184.81448 424.29090
7635.0000 -188.44596 -184.60532 3.84064 1.91719 -184.50753 437.07101
7640.0000 -189.11008 -185.05098 4.05909 1.87746 -185.20777 411.37335
7645.0000 -189.13928 -184.09764 5.04164 1.94311 -184.05061 465.89234
7650.0000 -187.98171 -183.98953 3.99218 1.95111 -183.90962 474.72141
7655.0000 -187.66592 -184.27509 3.39084 1.92467 -184.37576 448.14634
7660.0000 -188.77658 -184.43153 4.34505 1.91883 -184.47868 442.50119
7665.0000 -188.55955 -184.34412 4.21543 1.95387 -183.86109 475.13050
7670.0000 -189.03115 -185.01714 4.01401 1.92272 -184.41016 448.23967
7675.0000 -188.61412 -184.20883 4.40529 1.88912 -185.00225 422.50183
7680.0000 -188.78749 -183.84152 4.94597 1.93948 -184.11467 464.65426
7685.0000 -188.06376 -183.76514 4.29862 1.97219 -183.53818 486.94659
7690.0000 -188.75236 -184.81074 3.94162 1.92843 -184.30946 444.23787
7695.0000 -187.87286 -183.10066 4.77220 1.95910 -183.76877 458.69978
7700.0000 -189.65085 -184.95014 4.70071 1.95943 -183.76301 457.02141
7705.0000 -188.96491 -184.53775 4.42716 1.89386 -184.91868 426.29994
7710.0000 -188.56285 -184.26762 4.29523 1.91890 -184.47742 443.75342
7715.0000 -189.00234 -184.64771 4.35462 1.89207 -184.95035 420.23616
7720.0000 -189.03442 -184.76054 4.27388 1.91560 -184.53560 440.91457
7725.0000 -188.78084 -184.19301 4.58784 1.91862 -184.48230 436.81007
7730.0000 -188.62251 -184.11882 4.50369 1.90820 -184.66598 434.24428
7735.0000 -188.56052 -184.59812 3.96240 1.95526 -183.83652 474.89343
7740.0000 -188.58198 -184.67847 3.90351 1.91270 -184.58661 429.76389
7745.0000 -188.92566 -184.17198 4.75368 1.90627 -184.69999 433.34359
7750.0000 -187.67830 -183.29633 4.38197 1.96950 -183.58550 483.13998
FREEZING PROCESS: loop number 32 T-loop= 425.00000000000000
main_MD> interactions number 32 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53735 -1.55648 -2.30874
force_rgl> df(natom) -0.11909 -0.12731 1.81051
7755.0000 -189.58201 -184.98281 4.59920 1.94590 -184.00156 467.78350
7760.0000 -188.63521 -184.92253 3.71268 1.90653 -184.69548 430.38359
7765.0000 -188.68159 -185.53821 3.14338 1.87747 -185.20762 408.01354
7770.0000 -189.72220 -186.12326 3.59895 1.83692 -185.92246 379.23515
7775.0000 -189.21686 -185.20535 4.01151 1.86491 -185.42911 396.95313
7780.0000 -189.31238 -184.38688 4.92550 1.89961 -184.81745 429.63228
7785.0000 -188.40411 -184.23394 4.17017 1.90527 -184.71762 429.40915
7790.0000 -189.42960 -184.99637 4.43322 1.89044 -184.97913 425.62405
7795.0000 -189.36761 -185.27674 4.09087 1.89356 -184.92404 427.83790
7800.0000 -189.10443 -185.19165 3.91279 1.88121 -185.14180 415.90426
7805.0000 -188.98643 -185.20566 3.78077 1.87242 -185.29674 403.02631
7810.0000 -189.23247 -185.77008 3.46239 1.84955 -185.69985 386.36997
7815.0000 -189.19048 -185.48457 3.70592 1.85176 -185.66076 388.71572
7820.0000 -189.37949 -185.07310 4.30639 1.87444 -185.26101 410.15319
7825.0000 -188.81206 -184.47139 4.34068 1.89348 -184.92550 423.91582
7830.0000 -189.15659 -185.04139 4.11519 1.90722 -184.68335 434.83892
7835.0000 -188.54709 -184.93125 3.61584 1.89871 -184.83329 426.00878
7840.0000 -188.94312 -184.65419 4.28893 1.90128 -184.78800 435.48743
7845.0000 -189.36592 -185.04837 4.31756 1.89326 -184.92938 419.29094
7850.0000 -189.39234 -184.90050 4.49184 1.88187 -185.13010 413.96358
7855.0000 -188.96698 -184.26382 4.70316 1.93067 -184.26988 441.00449
7860.0000 -189.10188 -184.93021 4.17168 1.90874 -184.65657 430.23065
7865.0000 -189.64560 -186.02301 3.62259 1.85619 -185.58280 393.21989
7870.0000 -188.94902 -185.27474 3.67428 1.84962 -185.69847 387.60554
7875.0000 -188.91142 -184.82423 4.08719 1.86930 -185.35162 400.02029
7880.0000 -189.08992 -184.15552 4.93440 1.91989 -184.46003 443.31518
7885.0000 -188.41959 -184.35181 4.06778 1.91161 -184.60582 439.78415
7890.0000 -189.14196 -185.22612 3.91583 1.91678 -184.51484 447.32266
7895.0000 -189.13940 -185.84633 3.29307 1.88792 -185.02353 411.11486
7900.0000 -188.92747 -185.16854 3.75893 1.84626 -185.75777 387.07697
7905.0000 -188.80932 -184.98193 3.82739 1.86391 -185.44666 397.37773
7910.0000 -189.54802 -184.96153 4.58649 1.89286 -184.93647 418.04809
7915.0000 -188.94435 -184.81527 4.12907 1.89291 -184.93559 416.43093
7920.0000 -187.97084 -183.94458 4.02626 1.91427 -184.55905 441.18157
7925.0000 -188.81267 -185.07474 3.73792 1.89723 -184.85936 426.30776
7930.0000 -189.20037 -184.75432 4.44605 1.89952 -184.81895 428.61461
7935.0000 -188.67465 -184.55117 4.12347 1.92112 -184.43834 443.55571
7940.0000 -188.60157 -184.82249 3.77908 1.89969 -184.81603 429.11748
7945.0000 -188.26017 -184.47080 3.78936 1.88364 -185.09884 418.72464
7950.0000 -188.67672 -185.21863 3.45810 1.89640 -184.87398 426.83911
7955.0000 -189.14674 -185.30587 3.84087 1.88785 -185.02474 417.34117
7960.0000 -189.29023 -185.48359 3.80664 1.86381 -185.44851 401.25424
7965.0000 -188.79497 -184.93569 3.85928 1.86826 -185.37000 401.70315
7970.0000 -189.55035 -185.65474 3.89561 1.86057 -185.50547 399.22728
7975.0000 -187.41555 -183.53850 3.87705 1.91991 -184.45953 430.01343
7980.0000 -189.20326 -184.65440 4.54886 1.92939 -184.29254 441.88142
7985.0000 -189.18473 -184.98244 4.20229 1.92169 -184.42820 448.37379
7990.0000 -189.39622 -185.59815 3.79808 1.86638 -185.40321 402.62267
7995.0000 -188.95438 -184.83528 4.11910 1.89316 -184.93103 421.03195
8000.0000 -189.06433 -184.71723 4.34709 1.88318 -185.10702 423.24953
FREEZING PROCESS: loop number 33 T-loop= 400.00000000000000
main_MD> interactions number 33 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02513 1.28626 0.22135
force_rgl> df(natom) -0.95776 -4.20153 -0.34956
8005.0000 -188.54668 -184.09892 4.44776 1.90423 -184.73602 428.71073
8010.0000 -188.45708 -184.33294 4.12415 1.93457 -184.20127 457.68431
8015.0000 -188.74064 -185.62011 3.12053 1.87235 -185.29796 409.88981
8020.0000 -189.59497 -185.80514 3.78984 1.83911 -185.88375 380.16373
8025.0000 -189.76367 -185.83964 3.92403 1.83429 -185.96880 376.70937
8030.0000 -188.67589 -184.82739 3.84850 1.85861 -185.54007 393.43702
8035.0000 -189.74143 -185.27378 4.46765 1.91066 -184.62269 436.78813
8040.0000 -188.69807 -184.44935 4.24872 1.90723 -184.68308 432.61295
8045.0000 -189.24363 -185.31337 3.93026 1.90500 -184.72244 428.63207
8050.0000 -189.17006 -185.63947 3.53059 1.83948 -185.87735 381.78345
8055.0000 -190.24667 -186.60269 3.64398 1.84700 -185.74467 388.22148
8060.0000 -189.94699 -186.42254 3.52445 1.81622 -186.28721 361.15501
8065.0000 -189.17544 -185.63695 3.53849 1.85032 -185.68624 385.81781
8070.0000 -189.00201 -185.57070 3.43130 1.85895 -185.53401 400.55707
8075.0000 -189.18437 -185.01222 4.17215 1.85525 -185.59937 397.47019
8080.0000 -188.75016 -184.89592 3.85424 1.88988 -184.98889 419.33854
8085.0000 -189.32601 -185.11814 4.20787 1.87404 -185.26805 401.70345
8090.0000 -189.34602 -186.05021 3.29581 1.84808 -185.72568 384.07062
8095.0000 -189.97176 -186.19037 3.78138 1.86090 -185.49978 390.63964
8100.0000 -189.92164 -186.69151 3.23013 1.80320 -186.51677 352.57271
8105.0000 -189.54414 -185.56499 3.97914 1.82251 -186.17639 366.88321
8110.0000 -188.88176 -185.43895 3.44282 1.85948 -185.52482 393.92603
8115.0000 -189.18783 -185.94312 3.24471 1.87198 -185.30436 391.79412
8120.0000 -189.29262 -185.33921 3.95341 1.86062 -185.50465 387.17237
8125.0000 -188.57330 -184.84509 3.72821 1.86372 -185.44997 393.54769
8130.0000 -189.30888 -184.80300 4.50589 1.90070 -184.79824 415.24877
8135.0000 -189.51133 -185.95237 3.55895 1.88810 -185.02034 409.73220
8140.0000 -188.74353 -184.90053 3.84300 1.89094 -184.97021 410.34365
8145.0000 -189.32322 -185.33394 3.98928 1.87367 -185.27461 392.68618
8150.0000 -189.61520 -185.82660 3.78861 1.85774 -185.55534 393.81938
8155.0000 -189.02753 -185.13366 3.89387 1.86022 -185.51173 395.79253
8160.0000 -189.65529 -185.65876 3.99653 1.88393 -185.09372 417.91452
8165.0000 -188.65601 -185.01313 3.64287 1.85297 -185.63956 394.41236
8170.0000 -189.69686 -185.83826 3.85860 1.87832 -185.19267 411.05340
8175.0000 -189.37818 -186.04287 3.33530 1.85274 -185.64346 390.84375
8180.0000 -188.98152 -185.03235 3.94917 1.85006 -185.69076 386.83662
8185.0000 -189.45683 -185.54747 3.90936 1.86591 -185.41149 400.48365
8190.0000 -189.60161 -185.70517 3.89643 1.85956 -185.52333 394.77733
8195.0000 -189.62457 -186.28601 3.33856 1.85147 -185.66593 383.56878
8200.0000 -189.41040 -185.64496 3.76544 1.83604 -185.93799 375.68027
8205.0000 -189.43305 -185.26952 4.16353 1.85500 -185.60378 391.12317
8210.0000 -188.93195 -185.69814 3.23381 1.84379 -185.80132 384.64560
8215.0000 -189.96422 -186.55846 3.40576 1.81436 -186.31997 361.60304
8220.0000 -189.59741 -185.46548 4.13193 1.82667 -186.10302 369.11240
8225.0000 -188.60888 -184.59994 4.00894 1.90425 -184.73556 434.86727
8230.0000 -189.00306 -185.40749 3.59557 1.88230 -185.12257 404.81351
8235.0000 -188.58841 -184.94383 3.64458 1.88573 -185.06215 402.99754
8240.0000 -189.00045 -185.24919 3.75126 1.90170 -184.78054 431.97004
8245.0000 -189.26820 -185.90856 3.35964 1.84815 -185.72452 384.35898
8250.0000 -189.84158 -186.25107 3.59051 1.83831 -185.89788 376.13252
FREEZING PROCESS: loop number 34 T-loop= 375.00000000000000
main_MD> interactions number 34 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.04672 1.42497 0.44168
force_rgl> df(natom) -0.72505 0.08514 -1.17611
8255.0000 -189.31040 -185.65693 3.65347 1.82890 -186.06382 373.99770
8260.0000 -189.40394 -186.10332 3.30062 1.82645 -186.10698 370.83917
8265.0000 -189.37729 -185.21102 4.16627 1.87349 -185.27787 409.29871
8270.0000 -189.87385 -185.71565 4.15820 1.88861 -185.01122 417.60444
8275.0000 -189.92511 -186.19549 3.72962 1.84896 -185.71025 388.04023
8280.0000 -189.17006 -185.47590 3.69417 1.84283 -185.81816 383.81136
8285.0000 -189.63879 -185.85323 3.78556 1.84703 -185.74421 386.43366
8290.0000 -189.76378 -186.41993 3.34385 1.83475 -185.96067 372.02737
8295.0000 -189.55924 -186.17968 3.37957 1.81867 -186.24402 363.62757
8300.0000 -189.69539 -186.23020 3.46519 1.81204 -186.36095 360.84101
8305.0000 -189.61360 -185.88734 3.72626 1.83643 -185.93111 377.00104
8310.0000 -189.79735 -186.23137 3.56597 1.84969 -185.69728 390.83425
8315.0000 -190.33861 -186.87213 3.46648 1.80210 -186.53618 347.52581
8320.0000 -189.34233 -186.23110 3.11124 1.79322 -186.69258 341.95852
8325.0000 -189.85462 -186.72522 3.12940 1.79856 -186.59856 343.82454
8330.0000 -188.90882 -185.53755 3.37127 1.84268 -185.82090 378.92611
8335.0000 -189.70438 -186.42029 3.28409 1.84991 -185.69339 390.20848
8340.0000 -189.16219 -185.31779 3.84441 1.84211 -185.83095 379.96304
8345.0000 -189.76387 -185.72115 4.04271 1.85864 -185.53962 395.86216
8350.0000 -190.22494 -187.24964 2.97530 1.80342 -186.51279 348.50024
8355.0000 -189.48076 -185.68368 3.79707 1.79910 -186.58909 346.06754
8360.0000 -189.99181 -186.16426 3.82755 1.83315 -185.98892 378.28969
8365.0000 -189.79951 -186.30028 3.49923 1.81414 -186.32394 361.06611
8370.0000 -189.35302 -186.18887 3.16415 1.84518 -185.77685 383.16135
8375.0000 -189.58584 -186.03710 3.54874 1.82982 -186.04751 369.54117
8380.0000 -189.77325 -186.22411 3.54914 1.81797 -186.25644 357.45189
8385.0000 -189.32567 -185.85893 3.46674 1.80778 -186.43595 341.29632
8390.0000 -189.54397 -185.62429 3.91967 1.83343 -185.98384 368.65607
8395.0000 -189.99537 -187.14839 2.84698 1.81472 -186.31374 360.58662
8400.0000 -189.91000 -186.48411 3.42589 1.78212 -186.88836 332.28836
8405.0000 -189.23587 -185.69457 3.54130 1.85373 -185.62607 392.00275
8410.0000 -189.32486 -185.98742 3.33743 1.84439 -185.79066 385.05996
8415.0000 -189.39409 -185.35172 4.04238 1.84364 -185.80389 377.84639
8420.0000 -189.71698 -185.75167 3.96531 1.86177 -185.48433 401.05328
8425.0000 -190.35772 -186.20550 4.15222 1.82915 -186.05937 371.85855
8430.0000 -189.89554 -186.08466 3.81088 1.83131 -186.02123 372.27126
8435.0000 -189.73201 -185.29471 4.43730 1.86926 -185.35245 407.90940
8440.0000 -189.65285 -185.61086 4.04199 1.85692 -185.56980 386.15148
8445.0000 -188.27718 -184.36817 3.90901 1.88613 -185.05494 418.15312
8450.0000 -188.64018 -184.56259 4.07759 1.92821 -184.31328 450.74404
8455.0000 -188.81570 -184.90761 3.90809 1.90066 -184.79900 428.84227
8460.0000 -189.29088 -185.76100 3.52987 1.86458 -185.43490 400.06599
8465.0000 -189.34077 -186.55406 2.78671 1.84149 -185.84178 381.77991
8470.0000 -189.55095 -186.67223 2.87872 1.81312 -186.34196 357.74343
8475.0000 -189.50745 -185.89181 3.61564 1.81701 -186.27337 361.55320
8480.0000 -189.60903 -186.08236 3.52667 1.81703 -186.27295 359.52579
8485.0000 -189.32618 -185.80413 3.52205 1.83786 -185.90587 382.24865
8490.0000 -190.09139 -185.81630 4.27509 1.84346 -185.80719 384.03767
8495.0000 -189.95712 -186.58981 3.36731 1.82625 -186.11046 368.75934
8500.0000 -190.34940 -186.17348 4.17591 1.80745 -186.44181 352.49443
FREEZING PROCESS: loop number 35 T-loop= 350.00000000000000
main_MD> interactions number 35 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48213 1.00182 -1.18417
force_rgl> df(natom) -0.50282 0.48967 0.41499
8505.0000 -189.92311 -186.55746 3.36565 1.80482 -186.48822 348.62519
8510.0000 -190.30464 -186.37744 3.92719 1.81427 -186.32170 359.30756
8515.0000 -190.18745 -186.53482 3.65263 1.80808 -186.43065 357.08036
8520.0000 -190.00907 -186.95691 3.05216 1.78731 -186.79674 334.34743
8525.0000 -190.40476 -187.05263 3.35213 1.76820 -187.13365 319.81362
8530.0000 -189.99707 -185.84198 4.15509 1.79875 -186.59520 344.77513
8535.0000 -189.37081 -186.56341 2.80740 1.81506 -186.30765 355.80662
8540.0000 -189.70834 -186.13264 3.57570 1.81310 -186.34230 358.97291
8545.0000 -190.28299 -187.69149 2.59150 1.76425 -187.20322 314.55617
8550.0000 -189.66443 -186.37994 3.28449 1.76860 -187.12669 319.30144
8555.0000 -188.85210 -185.42957 3.42252 1.83115 -186.02414 375.81216
8560.0000 -188.84809 -185.40304 3.44505 1.84991 -185.69340 376.17685
8565.0000 -189.75652 -185.78851 3.96801 1.84844 -185.71929 388.56123
8570.0000 -189.21794 -185.43759 3.78034 1.85611 -185.58420 391.36693
8575.0000 -189.49790 -185.15993 4.33797 1.86076 -185.50214 391.98351
8580.0000 -190.11308 -187.11083 3.00224 1.83740 -185.91391 377.41901
8585.0000 -189.97878 -187.01742 2.96136 1.77891 -186.94490 326.47027
8590.0000 -189.72991 -186.55936 3.17056 1.80070 -186.56089 347.29737
8595.0000 -189.54095 -185.96022 3.58073 1.82382 -186.15327 363.31194
8600.0000 -189.67217 -186.41412 3.25805 1.82728 -186.09223 372.52938
8605.0000 -189.44474 -186.40194 3.04280 1.78444 -186.84733 334.06675
8610.0000 -189.77480 -185.76300 4.01180 1.83268 -185.99705 371.07614
8615.0000 -189.62425 -186.12936 3.49488 1.82353 -186.15841 365.47313
8620.0000 -189.67323 -186.27210 3.40114 1.83140 -186.01978 372.90046
8625.0000 -189.93261 -186.18854 3.74407 1.82421 -186.14643 366.40398
8630.0000 -190.25426 -186.50652 3.74774 1.81120 -186.37573 358.52269
8635.0000 -189.62905 -186.71170 2.91735 1.79676 -186.63030 344.02799
8640.0000 -189.65397 -186.40443 3.24954 1.80468 -186.49070 352.28305
8645.0000 -190.19699 -187.06139 3.13560 1.78303 -186.87222 335.45946
8650.0000 -190.02828 -187.07318 2.95510 1.76119 -187.25717 314.16284
8655.0000 -189.68920 -186.23122 3.45799 1.78122 -186.90418 331.99718
8660.0000 -190.33032 -186.62205 3.70828 1.82070 -186.20835 364.08250
8665.0000 -189.78389 -186.52779 3.25610 1.79381 -186.68226 343.06097
8670.0000 -190.35601 -187.08404 3.27197 1.77205 -187.06572 321.02220
8675.0000 -190.54508 -187.56812 2.97696 1.75273 -187.40637 305.01089
8680.0000 -190.40798 -187.15680 3.25118 1.76192 -187.24431 318.83694
8685.0000 -189.57010 -186.37302 3.19708 1.79312 -186.69450 341.79462
8690.0000 -189.46729 -186.52503 2.94226 1.82125 -186.19863 365.02732
8695.0000 -189.34675 -186.33037 3.01638 1.80530 -186.47981 351.72603
8700.0000 -189.81288 -186.46817 3.34471 1.80912 -186.41240 353.59111
8705.0000 -189.11301 -185.79885 3.31416 1.81678 -186.27732 362.94225
8710.0000 -189.58516 -186.11146 3.47370 1.81759 -186.26311 363.15482
8715.0000 -190.14209 -186.98864 3.15345 1.79322 -186.69260 343.80248
8720.0000 -189.91347 -186.58169 3.33179 1.80314 -186.51775 350.56970
8725.0000 -189.81815 -185.94865 3.86951 1.80406 -186.50157 353.94769
8730.0000 -189.17029 -185.81031 3.35998 1.83934 -185.87979 379.27978
8735.0000 -189.66783 -186.56741 3.10042 1.83139 -186.01987 371.42410
8740.0000 -190.11008 -186.91701 3.19307 1.78720 -186.79881 337.78371
8745.0000 -190.42319 -187.42645 2.99675 1.75623 -187.34469 309.36841
8750.0000 -190.23523 -187.02104 3.21420 1.75633 -187.34288 311.58169
FREEZING PROCESS: loop number 36 T-loop= 325.00000000000000
main_MD> interactions number 36 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.92203 0.82185 -2.11753
force_rgl> df(natom) 0.13484 1.25128 -0.07056
8755.0000 -189.82064 -187.02511 2.79553 1.77612 -186.99400 325.21997
8760.0000 -190.14684 -187.06804 3.07880 1.78438 -186.84849 333.18839
8765.0000 -190.41308 -187.58526 2.82782 1.76335 -187.21910 316.59164
8770.0000 -190.02046 -187.35360 2.66686 1.75358 -187.39129 307.23178
8775.0000 -190.25241 -187.40648 2.84594 1.76068 -187.26627 313.86875
8780.0000 -189.93956 -186.94185 2.99771 1.75766 -187.31941 312.85827
8785.0000 -190.35675 -187.23040 3.12635 1.78553 -186.82824 331.78798
8790.0000 -190.10048 -186.78545 3.31503 1.77918 -186.94021 327.37883
8795.0000 -189.97255 -186.34422 3.62833 1.79804 -186.60777 343.74364
8800.0000 -189.70964 -187.26375 2.44589 1.77618 -186.99303 327.78675
8805.0000 -190.40523 -187.22140 3.18384 1.74825 -187.48525 304.31690
8810.0000 -189.93081 -187.26445 2.66636 1.76534 -187.18413 316.87316
8815.0000 -190.43944 -187.27063 3.16881 1.76011 -187.27627 310.14181
8820.0000 -189.90384 -187.02770 2.87613 1.76350 -187.21641 314.11036
8825.0000 -189.99222 -187.01021 2.98200 1.78392 -186.85652 332.08643
8830.0000 -190.42454 -187.10310 3.32144 1.76360 -187.21479 316.52670
8835.0000 -190.09232 -187.25673 2.83559 1.76178 -187.24686 314.76372
8840.0000 -190.61164 -187.66442 2.94722 1.76280 -187.22880 314.02358
8845.0000 -190.50640 -187.27844 3.22796 1.75350 -187.39282 305.84497
8850.0000 -190.31207 -186.83003 3.48204 1.77348 -187.04061 322.90865
8855.0000 -190.31873 -187.08771 3.23101 1.77709 -186.97689 328.50291
8860.0000 -189.73511 -186.61589 3.11923 1.80805 -186.43122 354.01553
8865.0000 -189.84298 -186.83713 3.00585 1.79173 -186.71899 341.08553
8870.0000 -189.90453 -186.97711 2.92741 1.77613 -186.99387 327.06220
8875.0000 -189.90695 -186.63258 3.27438 1.76745 -187.14680 319.11050
8880.0000 -190.04229 -186.95130 3.09099 1.80159 -186.54519 346.42356
8885.0000 -190.16191 -187.26713 2.89478 1.76054 -187.26859 312.67647
8890.0000 -190.21959 -187.16884 3.05075 1.76265 -187.23151 314.55624
8895.0000 -190.44956 -187.14928 3.30029 1.76997 -187.10254 324.57627
8900.0000 -190.43343 -187.51203 2.92140 1.75232 -187.41360 307.45396
8905.0000 -190.39425 -187.51432 2.87993 1.75460 -187.37338 307.16998
8910.0000 -190.14918 -186.91284 3.23634 1.78145 -186.90003 330.14257
8915.0000 -189.76661 -186.45884 3.30777 1.80801 -186.43192 355.26849
8920.0000 -189.93050 -186.12123 3.80927 1.79946 -186.58263 346.90610
8925.0000 -189.46741 -186.31523 3.15219 1.82109 -186.20146 362.17265
8930.0000 -190.71065 -187.34978 3.36087 1.79447 -186.67059 341.25282
8935.0000 -190.70927 -188.24445 2.46481 1.74005 -187.62989 296.04513
8940.0000 -190.73706 -188.19401 2.54305 1.69469 -188.42938 254.89294
8945.0000 -189.86997 -187.01481 2.85516 1.73190 -187.77347 290.91379
8950.0000 -190.11560 -186.81246 3.30314 1.79628 -186.63876 346.21080
8955.0000 -189.79973 -186.64408 3.15565 1.78534 -186.83152 334.67531
8960.0000 -189.88827 -186.47223 3.41604 1.79550 -186.65247 341.84359
8965.0000 -190.60836 -187.29513 3.31323 1.76562 -187.17907 316.32946
8970.0000 -190.60366 -187.13165 3.47201 1.76617 -187.16940 320.09431
8975.0000 -189.66355 -186.49506 3.16849 1.79930 -186.58554 348.85893
8980.0000 -189.69707 -186.79906 2.89801 1.80200 -186.53795 348.13959
8985.0000 -189.80011 -186.11747 3.68264 1.79355 -186.68686 339.64792
8990.0000 -190.02592 -186.96577 3.06015 1.79212 -186.71203 340.29559
8995.0000 -190.53701 -187.22301 3.31400 1.78588 -186.82197 333.61434
9000.0000 -190.50420 -187.47992 3.02428 1.74852 -187.48045 302.38405
FREEZING PROCESS: loop number 37 T-loop= 300.00000000000000
main_MD> interactions number 37 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96753 -0.46736 -1.78073
force_rgl> df(natom) -0.46108 -0.38148 -0.89217
9005.0000 -190.32397 -187.47992 2.84405 1.76119 -187.25726 313.12433
9010.0000 -190.52760 -187.74766 2.77993 1.75560 -187.35577 308.87085
9015.0000 -190.33370 -187.34220 2.99150 1.76143 -187.25307 313.98064
9020.0000 -190.36768 -187.41759 2.95009 1.76147 -187.25234 312.75161
9025.0000 -190.91185 -187.97058 2.94127 1.75281 -187.40500 313.25526
9030.0000 -189.87331 -186.92225 2.95106 1.76978 -187.10583 322.32938
9035.0000 -190.06582 -187.07259 2.99324 1.76870 -187.12491 320.28775
9040.0000 -190.59312 -187.79310 2.80001 1.75497 -187.36688 308.43199
9045.0000 -190.07942 -187.03284 3.04659 1.75383 -187.38699 310.37143
9050.0000 -190.54275 -187.64609 2.89666 1.76046 -187.27009 314.92983
9055.0000 -190.44454 -187.26042 3.18412 1.75554 -187.35675 310.32647
9060.0000 -190.57390 -187.54642 3.02748 1.75314 -187.39908 305.92736
9065.0000 -190.66095 -187.55320 3.10776 1.73308 -187.75270 288.94611
9070.0000 -190.40537 -187.10857 3.29680 1.74294 -187.57888 302.73151
9075.0000 -190.43472 -187.99606 2.43866 1.75089 -187.43883 305.99080
9080.0000 -190.58787 -187.62557 2.96230 1.71771 -188.02361 278.88306
9085.0000 -190.22699 -187.42672 2.80027 1.73750 -187.67477 295.08991
9090.0000 -190.66479 -186.99753 3.66726 1.75826 -187.30893 311.01970
9095.0000 -190.13402 -187.58141 2.55261 1.76232 -187.23724 312.81898
9100.0000 -190.55988 -187.68652 2.87336 1.74779 -187.49349 303.04582
9105.0000 -190.39217 -187.38914 3.00303 1.74525 -187.53813 300.37755
9110.0000 -190.55805 -187.83474 2.72331 1.73256 -187.76177 289.18360
9115.0000 -190.44139 -187.32443 3.11696 1.73489 -187.72075 289.30304
9120.0000 -189.75980 -186.84243 2.91737 1.75506 -187.36525 310.04226
9125.0000 -190.08749 -187.05933 3.02816 1.76743 -187.14718 321.02015
9130.0000 -190.34254 -187.34414 2.99839 1.75745 -187.32315 309.68423
9135.0000 -190.52957 -187.90513 2.62444 1.73017 -187.80390 288.16417
9140.0000 -190.30320 -187.18611 3.11709 1.73979 -187.63439 293.19101
9145.0000 -189.62880 -186.42806 3.20075 1.78771 -186.78969 337.22063
9150.0000 -190.59426 -187.39414 3.20012 1.78454 -186.84562 332.41135
9155.0000 -190.17371 -187.81061 2.36311 1.72462 -187.90177 282.20788
9160.0000 -190.57271 -187.21974 3.35298 1.74970 -187.45967 303.53999
9165.0000 -190.75297 -187.84947 2.90351 1.74852 -187.48047 304.18072
9170.0000 -190.24185 -187.84497 2.39688 1.72164 -187.95435 280.73309
9175.0000 -190.66698 -188.11256 2.55442 1.72019 -187.97988 277.82530
9180.0000 -190.51407 -187.65794 2.85613 1.73457 -187.72647 291.09401
9185.0000 -190.25753 -187.54474 2.71280 1.75224 -187.41500 304.98362
9190.0000 -190.67294 -187.68185 2.99110 1.74796 -187.49049 304.34085
9195.0000 -190.48714 -187.17856 3.30858 1.74588 -187.52707 301.81091
9200.0000 -189.99357 -187.09234 2.90123 1.78081 -186.91131 330.58585
9205.0000 -190.69653 -187.44885 3.24768 1.77572 -187.00116 328.49237
9210.0000 -190.11360 -187.24119 2.87240 1.73802 -187.66566 291.82673
9215.0000 -190.77540 -187.65451 3.12089 1.74254 -187.58600 295.89611
9220.0000 -190.77769 -187.83956 2.93813 1.73867 -187.65409 294.38018
9225.0000 -190.83413 -187.95901 2.87512 1.72084 -187.96837 280.18477
9230.0000 -190.40827 -187.98166 2.42662 1.71600 -188.05369 274.63975
9235.0000 -189.99171 -186.89315 3.09856 1.76889 -187.12155 320.37912
9240.0000 -190.10513 -187.63449 2.47064 1.76119 -187.25716 311.63341
9245.0000 -190.51017 -188.19319 2.31698 1.71813 -188.01616 275.92823
9250.0000 -190.31465 -187.17681 3.13784 1.74437 -187.55376 296.96835
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 39.2133473 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink