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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_38/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_38.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 = 38 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 38 3800
main_MD> Size of nv and nvoiz: 38 3800
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 = 38
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> -2.9766800604648244E-002 -5.7574000650024527E-002 -2.8361637663235451E-002 initial drift of cluster / NP1 for coalescence
init> 0.32781905224387115 0.31395574840040796 0.28938775539119976 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6250586627868528E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.80909 -0.47150 6.50150
force_rgl> df(natom) 1.20552 -1.18872 2.00542
preparo> THERMALIZATION PROCESS AT 1143.0115150677725
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -82.084532241551273 5.6224885386925010 -87.707020780243781 5.8261833698362657E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1115.0000000000000
main_MD> interactions number 1 at Temperature= 1115.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61958 -0.91464 -2.45449
force_rgl> df(natom) -1.58638 -0.66846 -2.88232
5.0000 -87.00025 -80.18364 6.81661 2.73836 -81.14865 1205.75983
10.0000 -86.93503 -81.89124 5.04379 2.76365 -80.86275 1163.76220
15.0000 -87.62719 -83.45191 4.17529 2.65555 -82.08467 1109.06403
20.0000 -86.85248 -81.95796 4.89451 2.60384 -82.66909 1051.51875
25.0000 -85.96579 -80.71007 5.25572 2.69958 -81.58694 1149.32748
30.0000 -86.22225 -80.65622 5.56603 2.73162 -81.22487 1128.96570
35.0000 -86.57152 -79.26368 7.30784 2.86069 -79.76591 1317.32275
40.0000 -87.14804 -80.96506 6.18298 2.78309 -80.64305 1215.74160
45.0000 -86.80129 -81.10840 5.69289 2.75555 -80.95433 1203.24069
50.0000 -86.57601 -80.83936 5.73665 2.73405 -81.19735 1176.87672
55.0000 -86.35246 -79.96981 6.38265 2.81950 -80.23153 1241.55042
60.0000 -87.69698 -81.80609 5.89089 2.76920 -80.80001 1174.02927
65.0000 -89.35431 -84.26860 5.08571 2.57521 -82.99268 1045.93967
70.0000 -88.36742 -82.07645 6.29097 2.57832 -82.95752 1039.59008
75.0000 -86.86833 -82.11717 4.75116 2.65400 -82.10212 1072.37608
80.0000 -88.12657 -82.80301 5.32356 2.66450 -81.98346 1102.98325
85.0000 -87.88015 -83.31495 4.56520 2.58585 -82.87244 1024.72999
90.0000 -86.63259 -80.91682 5.71578 2.69016 -81.69339 1108.38812
95.0000 -85.74732 -79.97447 5.77285 2.80794 -80.36214 1192.66198
100.0000 -86.98276 -80.39231 6.59045 2.80337 -80.41389 1204.22284
105.0000 -84.87326 -80.28190 4.59136 2.79091 -80.55463 1241.59896
110.0000 -86.85420 -81.70374 5.15045 2.73965 -81.13405 1160.53800
115.0000 -86.62599 -81.23872 5.38727 2.67107 -81.90917 1095.22070
120.0000 -86.89561 -81.10011 5.79550 2.72535 -81.29575 1110.93252
125.0000 -88.12472 -82.79969 5.32503 2.66817 -81.94202 1108.50460
130.0000 -88.69408 -82.79765 5.89643 2.62550 -82.42432 1093.01118
135.0000 -86.24031 -81.35357 4.88674 2.67386 -81.87764 1121.13195
140.0000 -87.63699 -81.71264 5.92435 2.73177 -81.22308 1152.73046
145.0000 -86.86421 -81.57142 5.29279 2.68755 -81.72291 1136.89720
150.0000 -88.95119 -83.03228 5.91891 2.62319 -82.45043 1057.78907
155.0000 -87.63845 -82.86337 4.77508 2.56388 -83.12077 996.36058
160.0000 -88.09077 -81.45872 6.63204 2.66359 -81.99381 1118.31841
165.0000 -85.86170 -80.61787 5.24383 2.75081 -81.00790 1167.74437
170.0000 -87.11511 -82.17164 4.94347 2.64917 -82.15679 1121.44256
175.0000 -87.64466 -83.06102 4.58364 2.59133 -82.81048 1061.00048
180.0000 -88.81169 -84.19252 4.61918 2.49018 -83.95379 956.07907
185.0000 -87.32711 -82.48988 4.83723 2.58376 -82.89605 1040.37232
190.0000 -87.31800 -81.93807 5.37993 2.66785 -81.94559 1082.59710
195.0000 -85.18453 -79.74237 5.44216 2.76221 -80.87912 1174.10242
200.0000 -85.81886 -80.70499 5.11387 2.86099 -79.76262 1302.83674
205.0000 -88.48404 -82.48668 5.99736 2.68778 -81.72032 1098.54071
210.0000 -87.00790 -80.63123 6.37667 2.75957 -80.90886 1202.09159
215.0000 -87.22818 -81.47224 5.75594 2.76317 -80.86822 1212.99434
220.0000 -88.68500 -84.01418 4.67083 2.62549 -82.42437 1074.01927
225.0000 -88.69801 -82.46299 6.23502 2.59623 -82.75515 1078.14121
230.0000 -88.48249 -82.43100 6.05149 2.63581 -82.30779 1092.35245
235.0000 -87.32957 -82.41172 4.91784 2.58675 -82.86226 1049.13789
240.0000 -87.37007 -82.05418 5.31589 2.66711 -81.95400 1188.27430
245.0000 -86.43052 -80.40757 6.02295 2.73551 -81.18085 1171.08776
250.0000 -85.48683 -80.40578 5.08105 2.81778 -80.25099 1208.23463
FREEZING PROCESS: loop number 2 T-loop= 1090.0000000000000
main_MD> interactions number 2 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18108 -1.15665 0.89170
force_rgl> df(natom) -1.96667 1.16809 -3.27101
255.0000 -90.19121 -84.01771 6.17350 2.58812 -82.84675 1070.96093
260.0000 -85.87576 -80.41108 5.46468 2.65038 -82.14306 1131.47070
265.0000 -86.84024 -81.57551 5.26473 2.75462 -80.96489 1148.31770
270.0000 -87.35243 -82.19213 5.16030 2.63293 -82.34031 1104.19865
275.0000 -89.30909 -84.84525 4.46384 2.56241 -83.13741 988.27914
280.0000 -87.75273 -83.51834 4.23439 2.54092 -83.38034 998.28756
285.0000 -88.60672 -83.51812 5.08861 2.51294 -83.69656 997.82416
290.0000 -87.21376 -82.27802 4.93574 2.53898 -83.40226 1011.74383
295.0000 -86.94564 -81.75928 5.18636 2.62194 -82.46449 1076.01187
300.0000 -86.11351 -80.27324 5.84027 2.80767 -80.36521 1199.82766
305.0000 -85.67393 -78.90450 6.76943 2.86494 -79.71797 1275.42185
310.0000 -86.45694 -81.59300 4.86393 2.74648 -81.05688 1156.51331
315.0000 -88.72389 -83.51004 5.21385 2.57744 -82.96745 1020.99450
320.0000 -87.87772 -81.95611 5.92161 2.62260 -82.45702 1099.96586
325.0000 -88.18209 -82.77973 5.40236 2.68345 -81.76925 1141.76693
330.0000 -87.16995 -81.82050 5.34945 2.64993 -82.14815 1106.56354
335.0000 -87.49553 -80.88791 6.60762 2.68611 -81.73920 1087.70679
340.0000 -87.58440 -81.87256 5.71184 2.74502 -81.07336 1155.06136
345.0000 -87.35766 -81.47829 5.87937 2.73179 -81.22291 1195.56785
350.0000 -88.34954 -82.55400 5.79554 2.72185 -81.33527 1190.57609
355.0000 -89.21088 -82.49166 6.71922 2.57921 -82.94755 1033.16114
360.0000 -87.48561 -83.19764 4.28797 2.62389 -82.44245 1126.92608
365.0000 -87.73739 -82.42270 5.31469 2.63186 -82.35235 1114.46797
370.0000 -86.57326 -81.19954 5.37372 2.67328 -81.88420 1078.41551
375.0000 -87.93367 -82.93771 4.99596 2.67990 -81.80940 1114.19260
380.0000 -87.91195 -83.68801 4.22394 2.56757 -83.07909 1027.50274
385.0000 -88.85480 -84.25393 4.60087 2.46804 -84.20403 966.32450
390.0000 -89.73975 -84.62673 5.11302 2.44933 -84.41554 945.26721
395.0000 -87.80697 -81.27182 6.53515 2.62869 -82.38824 1056.03356
400.0000 -88.57024 -83.62820 4.94204 2.65258 -82.11818 1096.17790
405.0000 -87.31288 -81.67902 5.63386 2.57448 -83.00094 1002.59789
410.0000 -86.69770 -81.66833 5.02937 2.63669 -82.29777 1091.88564
415.0000 -87.22825 -82.38904 4.83920 2.66072 -82.02621 1074.71777
420.0000 -87.32904 -83.31138 4.01766 2.63010 -82.37225 1027.38163
425.0000 -87.09560 -82.02866 5.06694 2.63383 -82.33019 1094.70977
430.0000 -88.03331 -82.58334 5.44997 2.63885 -82.27335 1110.36666
435.0000 -87.22314 -80.90995 6.31319 2.64505 -82.20334 1086.26547
440.0000 -85.10235 -80.04103 5.06132 2.77705 -80.71129 1200.03905
445.0000 -86.00252 -79.90492 6.09759 2.87886 -79.56057 1236.39092
450.0000 -87.33352 -81.98151 5.35201 2.63969 -82.26388 1090.19459
455.0000 -88.61444 -83.41625 5.19819 2.62485 -82.43161 1082.74308
460.0000 -87.33632 -83.44005 3.89628 2.56458 -83.11288 1038.87283
465.0000 -88.34944 -82.24914 6.10030 2.62967 -82.37713 1016.44790
470.0000 -88.95231 -84.49690 4.45541 2.51298 -83.69608 994.84862
475.0000 -89.06593 -83.57758 5.48835 2.43939 -84.52782 921.58829
480.0000 -87.59093 -83.00856 4.58237 2.52956 -83.50871 994.08826
485.0000 -87.39795 -82.53731 4.86064 2.63548 -82.31147 1097.27864
490.0000 -86.77169 -80.62584 6.14585 2.67150 -81.90433 1123.53860
495.0000 -87.77301 -82.25454 5.51847 2.75134 -81.00189 1202.86302
500.0000 -88.44762 -83.14685 5.30078 2.52058 -83.61022 1037.31898
FREEZING PROCESS: loop number 3 T-loop= 1065.0000000000000
main_MD> interactions number 3 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45983 0.94232 1.71484
force_rgl> df(natom) 1.61499 0.75711 -1.41707
505.0000 -87.64190 -83.43073 4.21118 2.53151 -83.48664 1048.85153
510.0000 -87.37314 -81.71905 5.65410 2.56454 -83.11331 1047.56420
515.0000 -88.49396 -83.62676 4.86720 2.60434 -82.66348 1044.91444
520.0000 -90.78256 -83.46333 7.31922 2.52740 -83.53309 999.25289
525.0000 -87.86371 -82.83275 5.03097 2.49684 -83.87852 1012.58192
530.0000 -88.40557 -83.47668 4.92889 2.53028 -83.50053 1042.87530
535.0000 -86.89302 -81.19279 5.70023 2.63689 -82.29553 1102.85167
540.0000 -86.61402 -81.02600 5.58802 2.71296 -81.43579 1090.94228
545.0000 -87.06598 -81.00167 6.06431 2.76536 -80.84342 1165.22800
550.0000 -86.61243 -81.58706 5.02537 2.72107 -81.34407 1138.76147
555.0000 -87.20881 -80.86026 6.34855 2.68054 -81.80217 1068.25635
560.0000 -86.58327 -82.09365 4.48961 2.71033 -81.46542 1119.34180
565.0000 -87.08174 -81.33892 5.74282 2.69197 -81.67303 1118.38459
570.0000 -87.98492 -82.04177 5.94315 2.66236 -82.00771 1083.37912
575.0000 -88.50256 -82.45855 6.04400 2.64278 -82.22903 1110.31694
580.0000 -86.66510 -83.04069 3.62441 2.58340 -82.90010 994.13630
585.0000 -87.02956 -81.79114 5.23842 2.60152 -82.69528 970.88690
590.0000 -87.98086 -82.02936 5.95150 2.66320 -81.99820 1100.24071
595.0000 -87.61552 -82.52560 5.08992 2.61891 -82.49878 1086.73483
600.0000 -88.28876 -83.48024 4.80852 2.57021 -83.04917 1009.42691
605.0000 -88.59688 -81.67802 6.91886 2.59838 -82.73081 1087.67563
610.0000 -86.33557 -79.64611 6.68945 2.71583 -81.40329 1112.99185
615.0000 -87.28316 -82.64542 4.63774 2.74432 -81.08129 1171.88851
620.0000 -88.63036 -82.54036 6.09000 2.57768 -82.96479 1037.10196
625.0000 -87.91832 -82.30130 5.61702 2.65363 -82.10637 1106.00938
630.0000 -87.34427 -80.48229 6.86198 2.72732 -81.27341 1191.49677
635.0000 -87.45032 -81.95077 5.49955 2.74314 -81.09465 1212.46206
640.0000 -89.15589 -85.02301 4.13288 2.47937 -84.07593 945.29477
645.0000 -88.32950 -82.70897 5.62054 2.51586 -83.66350 1015.75629
650.0000 -89.57558 -85.06495 4.51064 2.51852 -83.63342 976.65053
655.0000 -89.25704 -85.39407 3.86297 2.34374 -85.60896 847.44923
660.0000 -88.46241 -83.20193 5.26048 2.46207 -84.27149 934.88577
665.0000 -86.93082 -82.56398 4.36684 2.59548 -82.76365 1024.04034
670.0000 -87.73251 -81.86189 5.87063 2.60342 -82.67386 1033.82817
675.0000 -87.70248 -82.79810 4.90438 2.58658 -82.86420 1019.85073
680.0000 -88.91271 -84.25742 4.65529 2.52165 -83.59810 1010.25750
685.0000 -89.71836 -84.16870 5.54967 2.43618 -84.56419 930.87857
690.0000 -89.55690 -85.56022 3.99668 2.40161 -84.95489 911.43140
695.0000 -87.87147 -83.65266 4.21880 2.44828 -84.42736 958.23821
700.0000 -88.78349 -83.60139 5.18209 2.49188 -83.93463 949.71610
705.0000 -89.25160 -84.47432 4.77728 2.53293 -83.47061 990.49083
710.0000 -88.30382 -84.04917 4.25466 2.51314 -83.69424 995.43376
715.0000 -90.48642 -85.65357 4.83284 2.43166 -84.61529 930.11171
720.0000 -88.94148 -83.88055 5.06093 2.42613 -84.67779 938.99587
725.0000 -87.25819 -81.60579 5.65240 2.61643 -82.52677 1078.21613
730.0000 -86.75863 -82.31640 4.44224 2.78061 -80.67106 1175.55136
735.0000 -88.52726 -84.04939 4.47788 2.53510 -83.44610 994.63510
740.0000 -87.67768 -83.34884 4.32883 2.53190 -83.48222 981.54476
745.0000 -89.50134 -84.01821 5.48314 2.52415 -83.56980 1000.54313
750.0000 -88.69249 -83.46409 5.22840 2.60958 -82.60423 1095.37663
FREEZING PROCESS: loop number 4 T-loop= 1040.0000000000000
main_MD> interactions number 4 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.21549 6.09766 -1.77419
force_rgl> df(natom) 1.46243 0.13767 -3.62119
755.0000 -89.10107 -83.65912 5.44194 2.50895 -83.74160 989.50219
760.0000 -87.44582 -82.88749 4.55832 2.56384 -83.12124 1030.29124
765.0000 -89.06651 -84.28982 4.77668 2.45804 -84.31708 930.50850
770.0000 -88.16723 -83.79227 4.37496 2.48816 -83.97667 990.13716
775.0000 -89.66852 -83.85511 5.81342 2.49273 -83.92503 982.27687
780.0000 -88.73821 -84.17335 4.56486 2.55024 -83.27500 984.84400
785.0000 -88.26100 -82.97050 5.29050 2.54004 -83.39019 980.47601
790.0000 -88.55504 -84.43189 4.12315 2.54488 -83.33552 1021.27658
795.0000 -87.08646 -83.02314 4.06332 2.49108 -83.94367 1005.04929
800.0000 -86.92902 -81.60765 5.32138 2.65470 -82.09427 1114.19132
805.0000 -87.82689 -82.29195 5.53494 2.62516 -82.42810 1093.80771
810.0000 -87.66220 -83.21134 4.45086 2.58895 -82.83746 1045.17829
815.0000 -87.93255 -83.38738 4.54517 2.50846 -83.74719 929.35744
820.0000 -88.52924 -83.07617 5.45307 2.54909 -83.28792 984.26367
825.0000 -88.35649 -82.57884 5.77765 2.58798 -82.84839 1038.82546
830.0000 -86.64667 -81.43058 5.21609 2.72801 -81.26563 1180.01229
835.0000 -87.57094 -82.80183 4.76910 2.60310 -82.67751 1091.89179
840.0000 -88.74621 -83.47461 5.27160 2.59363 -82.78454 1073.02004
845.0000 -88.73169 -84.66997 4.06173 2.47857 -84.08503 963.16691
850.0000 -89.54895 -84.94179 4.60716 2.41605 -84.79171 877.99286
855.0000 -88.87852 -84.43697 4.44154 2.46618 -84.22503 942.83870
860.0000 -88.39582 -82.60214 5.79368 2.58915 -82.83520 1042.15587
865.0000 -88.44325 -81.96276 6.48050 2.64461 -82.20827 1066.20994
870.0000 -88.64365 -82.88106 5.76259 2.60398 -82.66757 1091.03306
875.0000 -87.33108 -82.47797 4.85311 2.58909 -82.83582 1058.95400
880.0000 -87.14802 -81.53557 5.61245 2.61791 -82.51003 1085.41360
885.0000 -86.26326 -81.94948 4.31379 2.64845 -82.16490 1092.27026
890.0000 -87.40910 -81.81676 5.59233 2.65004 -82.14691 1116.56202
895.0000 -86.09657 -80.39805 5.69852 2.73167 -81.22424 1163.95950
900.0000 -85.62166 -80.46691 5.15475 2.70682 -81.50509 1120.33947
905.0000 -87.25952 -82.52901 4.73051 2.69617 -81.62549 1140.69740
910.0000 -90.28761 -84.64232 5.64529 2.51818 -83.63733 1011.17930
915.0000 -87.52057 -81.64928 5.87129 2.49310 -83.92083 967.39181
920.0000 -88.48399 -82.53207 5.95191 2.60388 -82.66867 1029.82759
925.0000 -89.57104 -84.80334 4.76770 2.50027 -83.83980 979.94205
930.0000 -87.27761 -82.28833 4.98928 2.59195 -82.80349 1046.42296
935.0000 -87.08520 -82.52167 4.56353 2.64035 -82.25646 1077.84704
940.0000 -86.99139 -82.02355 4.96785 2.62244 -82.45889 1112.31045
945.0000 -87.49812 -81.70673 5.79139 2.69867 -81.59729 1168.84211
950.0000 -87.68017 -83.51843 4.16174 2.64632 -82.18895 1011.61329
955.0000 -88.45079 -84.21124 4.23956 2.49093 -83.94531 895.73882
960.0000 -88.65075 -83.47038 5.18037 2.56782 -83.07621 1011.07670
965.0000 -87.24588 -82.80736 4.43852 2.59633 -82.75397 1017.89917
970.0000 -87.24339 -82.25257 4.99082 2.65424 -82.09945 1076.42940
975.0000 -87.24725 -82.84645 4.40080 2.60055 -82.70629 1028.40515
980.0000 -86.78793 -82.18164 4.60629 2.58047 -82.93331 1026.97974
985.0000 -87.76206 -82.41822 5.34385 2.67453 -81.87011 1133.71245
990.0000 -88.06886 -83.68461 4.38426 2.57349 -83.01212 1066.41776
995.0000 -89.76906 -84.40650 5.36257 2.47702 -84.10256 950.29081
1000.0000 -88.26705 -84.96141 3.30565 2.36860 -85.32798 893.70005
FREEZING PROCESS: loop number 5 T-loop= 1015.0000000000000
main_MD> interactions number 5 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.44777 3.28818 -3.03747
force_rgl> df(natom) -1.62407 -2.22126 2.41576
1005.0000 -88.78336 -83.63680 5.14655 2.43085 -84.62442 922.80761
1010.0000 -87.88848 -82.65213 5.23635 2.57328 -83.01450 1045.16931
1015.0000 -86.63786 -81.06798 5.56988 2.72489 -81.30094 1170.96186
1020.0000 -87.35971 -81.91069 5.44902 2.67862 -81.82387 1099.83774
1025.0000 -86.83977 -81.45813 5.38164 2.70543 -81.52091 1136.80849
1030.0000 -87.65279 -82.97348 4.67932 2.61580 -82.53391 1031.80780
1035.0000 -88.50125 -82.79147 5.70979 2.59865 -82.72776 1059.24835
1040.0000 -87.30633 -82.12985 5.17648 2.54804 -83.29982 967.45186
1045.0000 -87.71011 -82.81497 4.89514 2.54673 -83.31467 979.54107
1050.0000 -88.42629 -83.54912 4.87717 2.46836 -84.20046 906.46117
1055.0000 -89.86015 -85.09719 4.76296 2.51497 -83.67364 1003.22976
1060.0000 -89.35609 -84.27316 5.08293 2.43725 -84.55203 961.70447
1065.0000 -89.76907 -83.88085 5.88822 2.42166 -84.72833 905.96673
1070.0000 -89.10847 -84.85984 4.24863 2.48475 -84.01515 924.85146
1075.0000 -89.51768 -84.61258 4.90509 2.47376 -84.13944 957.59148
1080.0000 -89.66250 -85.17121 4.49129 2.41857 -84.76323 901.30446
1085.0000 -88.32704 -83.43151 4.89553 2.49316 -83.92012 974.86252
1090.0000 -87.73598 -83.49328 4.24270 2.55387 -83.23396 966.59932
1095.0000 -87.52184 -82.13338 5.38845 2.58509 -82.88104 1028.70879
1100.0000 -88.81143 -84.01863 4.79280 2.58359 -82.89795 1086.53991
1105.0000 -87.41825 -82.97343 4.44482 2.52021 -83.61435 1009.55886
1110.0000 -89.02347 -84.85691 4.16656 2.48236 -84.04215 965.42844
1115.0000 -88.62687 -84.39884 4.22803 2.42150 -84.73003 865.13755
1120.0000 -88.83129 -84.08096 4.75034 2.41288 -84.82753 945.53172
1125.0000 -87.79520 -84.28685 3.50835 2.49397 -83.91094 955.56756
1130.0000 -88.54357 -83.24467 5.29891 2.59279 -82.79397 1082.97994
1135.0000 -87.90874 -83.99460 3.91414 2.53669 -83.42812 987.82274
1140.0000 -89.12629 -84.40391 4.72238 2.49085 -83.94626 951.90151
1145.0000 -87.90468 -82.87076 5.03392 2.52392 -83.57240 1011.20156
1150.0000 -88.59548 -83.33086 5.26462 2.58466 -82.88586 1040.07566
1155.0000 -88.04253 -83.76471 4.27782 2.58314 -82.90306 1058.41512
1160.0000 -89.26597 -84.68090 4.58507 2.49920 -83.85189 962.91223
1165.0000 -88.69238 -84.17965 4.51273 2.42326 -84.71015 952.85291
1170.0000 -87.91104 -81.88049 6.03055 2.47313 -84.14648 958.54101
1175.0000 -87.26202 -82.25124 5.01078 2.60335 -82.67463 1045.99348
1180.0000 -88.82410 -84.53436 4.28974 2.56739 -83.08106 1018.91647
1185.0000 -87.06089 -82.38990 4.67100 2.58875 -82.83962 1038.15725
1190.0000 -88.63626 -82.58707 6.04919 2.57676 -82.97517 1037.61615
1195.0000 -88.19481 -82.86893 5.32588 2.61517 -82.54105 1090.03277
1200.0000 -87.75151 -81.77079 5.98072 2.56724 -83.08283 1038.61823
1205.0000 -88.64018 -84.35711 4.28308 2.58372 -82.89652 1047.36734
1210.0000 -87.88857 -83.46503 4.42354 2.51764 -83.64343 1000.84161
1215.0000 -88.38324 -83.32761 5.05562 2.51430 -83.68119 992.06392
1220.0000 -88.69597 -82.39793 6.29805 2.56566 -83.10070 1043.39019
1225.0000 -87.18656 -82.97414 4.21241 2.54920 -83.28666 1005.96876
1230.0000 -88.79423 -82.84301 5.95123 2.61533 -82.53920 1067.52467
1235.0000 -87.20539 -82.31702 4.88837 2.66574 -81.96950 1114.70901
1240.0000 -87.53418 -82.50062 5.03356 2.59591 -82.75878 1057.65281
1245.0000 -86.94919 -82.65772 4.29147 2.66392 -81.99004 1031.17487
1250.0000 -87.93863 -83.21864 4.71999 2.63371 -82.33153 1107.81541
FREEZING PROCESS: loop number 6 T-loop= 990.00000000000000
main_MD> interactions number 6 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38508 4.99718 -0.15289
force_rgl> df(natom) 4.73411 1.38353 -0.22732
1255.0000 -87.01768 -82.38346 4.63422 2.61594 -82.53233 1052.21148
1260.0000 -86.71640 -81.92287 4.79353 2.63580 -82.30784 1071.04403
1265.0000 -87.92012 -82.44119 5.47894 2.60422 -82.66476 1049.62506
1270.0000 -87.53514 -83.11197 4.42317 2.59988 -82.71390 1050.93047
1275.0000 -88.28865 -83.11431 5.17434 2.60214 -82.68832 1067.86837
1280.0000 -87.85461 -82.64138 5.21323 2.58223 -82.91333 1074.96559
1285.0000 -87.19130 -81.69342 5.49789 2.71449 -81.41849 1170.94560
1290.0000 -89.16126 -83.47432 5.68694 2.56252 -83.13612 1035.25282
1295.0000 -89.01623 -83.68907 5.32716 2.51312 -83.69451 977.37033
1300.0000 -88.48256 -83.95446 4.52810 2.45993 -84.29576 931.14170
1305.0000 -88.90401 -84.01925 4.88475 2.46665 -84.21970 950.48864
1310.0000 -89.73603 -84.82228 4.91375 2.44885 -84.42091 935.80199
1315.0000 -90.22523 -83.76723 6.45800 2.45827 -84.31444 969.22074
1320.0000 -88.93595 -84.18075 4.75520 2.46636 -84.22304 986.16485
1325.0000 -88.96453 -83.64207 5.32246 2.44898 -84.41947 929.76541
1330.0000 -89.06685 -83.25030 5.81655 2.54600 -83.32287 1010.20450
1335.0000 -88.89933 -84.36448 4.53485 2.50966 -83.73362 961.18352
1340.0000 -88.66333 -83.43388 5.22946 2.47502 -84.12510 921.01432
1345.0000 -88.97698 -83.94606 5.03092 2.50220 -83.81799 939.40557
1350.0000 -88.87009 -83.93383 4.93626 2.55319 -83.24166 959.80036
1355.0000 -88.52744 -84.12667 4.40077 2.47957 -84.07367 944.67046
1360.0000 -88.45772 -84.54746 3.91026 2.45252 -84.37944 924.35218
1365.0000 -89.16688 -83.72704 5.43984 2.48704 -83.98927 974.94066
1370.0000 -89.34789 -83.12750 6.22040 2.56368 -83.12303 1048.31195
1375.0000 -88.78239 -83.49976 5.28263 2.55790 -83.18842 1001.44299
1380.0000 -88.13117 -83.25408 4.87709 2.56411 -83.11820 1021.14647
1385.0000 -89.07775 -82.70819 6.36955 2.54695 -83.31212 1001.96188
1390.0000 -88.61563 -84.90295 3.71268 2.50387 -83.79905 989.20907
1395.0000 -89.56059 -85.22998 4.33061 2.39617 -85.01633 916.21279
1400.0000 -89.90596 -84.69457 5.21138 2.40015 -84.97139 901.37785
1405.0000 -87.75761 -82.78542 4.97220 2.52724 -83.53495 1058.13152
1410.0000 -87.27028 -82.15087 5.11941 2.63888 -82.27307 1058.25462
1415.0000 -87.15357 -82.89456 4.25901 2.65338 -82.10918 1040.90083
1420.0000 -88.61295 -83.93895 4.67400 2.58988 -82.82688 1033.69072
1425.0000 -86.38410 -82.31070 4.07339 2.57299 -83.01786 1013.08007
1430.0000 -86.76198 -82.09044 4.67154 2.64871 -82.16199 1058.06809
1435.0000 -88.65659 -83.65060 5.00600 2.57993 -82.93933 1041.53123
1440.0000 -89.40611 -83.87477 5.53134 2.41433 -84.81107 907.78950
1445.0000 -88.42467 -83.29831 5.12635 2.53366 -83.46235 1055.01591
1450.0000 -87.90313 -82.66749 5.23564 2.56652 -83.09094 1002.47420
1455.0000 -88.16279 -83.14129 5.02150 2.54926 -83.28600 995.09195
1460.0000 -88.18639 -82.55172 5.63467 2.54957 -83.28249 998.94290
1465.0000 -87.40504 -81.72803 5.67701 2.63727 -82.29131 1067.08900
1470.0000 -87.86279 -82.49964 5.36315 2.67375 -81.87887 1181.78670
1475.0000 -88.62552 -84.67906 3.94646 2.54186 -83.36965 1033.61978
1480.0000 -89.14856 -84.99264 4.15591 2.40202 -84.95028 908.47014
1485.0000 -89.27147 -84.02932 5.24215 2.45983 -84.29683 946.58015
1490.0000 -88.71375 -84.84043 3.87332 2.39856 -84.98941 925.35944
1495.0000 -89.69845 -85.33588 4.36258 2.42212 -84.72309 932.29039
1500.0000 -89.28712 -84.51094 4.77618 2.34939 -85.54511 863.52174
FREEZING PROCESS: loop number 7 T-loop= 965.00000000000000
main_MD> interactions number 7 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86443 3.05673 1.74506
force_rgl> df(natom) -0.29831 1.55846 -3.91556
1505.0000 -87.17609 -82.37462 4.80147 2.51430 -83.68114 959.55792
1510.0000 -88.46902 -82.55959 5.90943 2.61731 -82.51685 1090.24487
1515.0000 -87.99130 -83.32431 4.66699 2.57070 -83.04371 1048.72059
1520.0000 -88.42264 -83.46002 4.96262 2.54353 -83.35077 1021.85171
1525.0000 -87.80683 -83.19108 4.61575 2.54254 -83.36195 991.48762
1530.0000 -88.80604 -83.72703 5.07901 2.52324 -83.58015 955.51875
1535.0000 -87.65155 -82.63475 5.01681 2.56923 -83.06027 999.61051
1540.0000 -88.45919 -82.86516 5.59403 2.56532 -83.10450 999.35244
1545.0000 -87.70348 -82.04086 5.66262 2.60930 -82.60738 1039.58202
1550.0000 -88.29513 -82.30148 5.99364 2.62665 -82.41125 1102.64529
1555.0000 -88.67426 -84.89683 3.77743 2.54172 -83.37126 996.42265
1560.0000 -89.06761 -84.28672 4.78089 2.42104 -84.73526 905.42036
1565.0000 -89.02353 -84.17305 4.85048 2.49919 -83.85190 965.00899
1570.0000 -89.67819 -85.23616 4.44203 2.42529 -84.68728 934.41234
1575.0000 -88.94482 -83.52291 5.42191 2.44640 -84.44859 923.98444
1580.0000 -88.81200 -84.13858 4.67341 2.47483 -84.12726 961.23571
1585.0000 -87.04353 -82.42993 4.61360 2.52671 -83.54086 1028.21229
1590.0000 -87.53968 -82.84597 4.69371 2.59435 -82.77643 1052.71695
1595.0000 -88.93539 -83.06066 5.87473 2.60465 -82.65995 1045.76955
1600.0000 -89.50138 -85.08063 4.42075 2.47211 -84.15810 972.86369
1605.0000 -89.73140 -85.43581 4.29559 2.33744 -85.68015 819.57894
1610.0000 -90.26380 -85.14411 5.11969 2.36045 -85.42009 919.91908
1615.0000 -90.99324 -86.64243 4.35081 2.37990 -85.20025 926.26421
1620.0000 -89.94045 -85.12425 4.81620 2.35931 -85.43300 881.97311
1625.0000 -89.42728 -85.47074 3.95654 2.35548 -85.47629 845.53689
1630.0000 -89.93856 -85.96167 3.97690 2.31603 -85.92218 791.19834
1635.0000 -89.45438 -84.68902 4.76536 2.36092 -85.41485 827.77483
1640.0000 -89.43081 -84.55402 4.87679 2.48652 -83.99513 945.51820
1645.0000 -88.46169 -83.69531 4.76639 2.44546 -84.45926 948.68405
1650.0000 -88.54878 -83.85844 4.69034 2.47570 -84.11742 950.97150
1655.0000 -89.59217 -84.83995 4.75222 2.46464 -84.24248 934.32236
1660.0000 -88.92105 -84.46864 4.45241 2.44415 -84.47404 954.22883
1665.0000 -89.51556 -84.01108 5.50448 2.45621 -84.33777 959.90883
1670.0000 -88.94031 -84.25135 4.68896 2.49720 -83.87451 971.77299
1675.0000 -88.87806 -83.98505 4.89301 2.53358 -83.46323 1046.80724
1680.0000 -88.72880 -83.94321 4.78559 2.46476 -84.24115 945.12660
1685.0000 -88.48767 -83.75980 4.72787 2.48120 -84.05527 981.14691
1690.0000 -89.07504 -83.60458 5.47047 2.48166 -84.05010 955.42535
1695.0000 -88.65321 -83.05088 5.60233 2.55425 -83.22957 1034.79033
1700.0000 -88.77068 -83.37159 5.39909 2.57329 -83.01440 1041.10894
1705.0000 -88.45026 -83.74867 4.70158 2.55772 -83.19036 1008.30732
1710.0000 -89.47087 -84.94397 4.52690 2.42403 -84.70150 884.60016
1715.0000 -89.60137 -83.80642 5.79495 2.40638 -84.90099 920.12881
1720.0000 -88.43987 -83.16170 5.27817 2.54951 -83.28318 1053.22034
1725.0000 -88.37366 -84.00882 4.36484 2.49595 -83.88852 983.24958
1730.0000 -87.66818 -81.79995 5.86823 2.56065 -83.15732 1019.41577
1735.0000 -87.94658 -82.81298 5.13361 2.63515 -82.31524 1082.11815
1740.0000 -86.88258 -81.16047 5.72211 2.69420 -81.64780 1104.17018
1745.0000 -89.96182 -84.48575 5.47606 2.61418 -82.55219 1069.79809
1750.0000 -88.64007 -84.40539 4.23468 2.50299 -83.80898 959.20743
FREEZING PROCESS: loop number 8 T-loop= 940.00000000000000
main_MD> interactions number 8 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.59349 -2.62640 2.45070
force_rgl> df(natom) 1.83743 1.46948 0.18288
1755.0000 -88.35581 -82.87051 5.48530 2.53144 -83.48749 996.12310
1760.0000 -88.87260 -84.15119 4.72141 2.53273 -83.47284 1004.99890
1765.0000 -88.32873 -82.99885 5.32988 2.58396 -82.89380 1063.72936
1770.0000 -87.85050 -82.44424 5.40626 2.58664 -82.86353 1030.07348
1775.0000 -87.82983 -82.43844 5.39139 2.63255 -82.34466 1057.16544
1780.0000 -88.41887 -83.48040 4.93847 2.57878 -82.95236 1036.21933
1785.0000 -89.12115 -84.66288 4.45827 2.43952 -84.52642 912.38642
1790.0000 -90.17094 -85.88023 4.29070 2.37952 -85.20462 850.35725
1795.0000 -87.89403 -83.71896 4.17507 2.42809 -84.65560 914.88894
1800.0000 -88.26062 -84.25350 4.00712 2.49490 -83.90048 968.01909
1805.0000 -88.50496 -84.31418 4.19077 2.45315 -84.37234 949.96003
1810.0000 -87.60822 -82.30725 5.30097 2.50057 -83.83633 1000.44505
1815.0000 -89.16849 -84.15088 5.01761 2.48092 -84.05849 992.24190
1820.0000 -88.67635 -82.96504 5.71132 2.51346 -83.69071 975.24960
1825.0000 -89.25639 -83.29595 5.96044 2.53305 -83.46923 1000.12050
1830.0000 -89.16351 -83.42997 5.73354 2.51617 -83.66007 1015.41924
1835.0000 -87.72768 -82.46554 5.26214 2.55596 -83.21026 1052.55745
1840.0000 -89.19621 -83.82320 5.37301 2.52669 -83.54107 987.72049
1845.0000 -87.84481 -83.24135 4.60346 2.51276 -83.69854 971.96459
1850.0000 -89.78766 -84.37545 5.41221 2.54182 -83.37013 977.86309
1855.0000 -88.24939 -84.09131 4.15808 2.49928 -83.85094 911.70127
1860.0000 -89.14609 -83.96114 5.18496 2.45827 -84.31447 937.46342
1865.0000 -88.93709 -85.21628 3.72081 2.40123 -84.95920 897.87250
1870.0000 -89.12400 -85.20597 3.91803 2.34770 -85.56422 840.77188
1875.0000 -87.79646 -83.55593 4.24054 2.39984 -84.97494 889.19632
1880.0000 -89.64738 -84.39561 5.25177 2.45113 -84.39517 925.49587
1885.0000 -89.47275 -84.62144 4.85130 2.43737 -84.55068 902.45962
1890.0000 -88.92303 -84.20515 4.71788 2.46273 -84.26405 957.96222
1895.0000 -88.66599 -83.32240 5.34359 2.47061 -84.17495 933.61343
1900.0000 -88.10037 -83.31909 4.78127 2.52376 -83.57421 980.88860
1905.0000 -87.83896 -82.66452 5.17443 2.54763 -83.30450 1020.42242
1910.0000 -88.70664 -82.83419 5.87245 2.60000 -82.71246 1036.27198
1915.0000 -87.62972 -83.07048 4.55924 2.53647 -83.43057 1018.97389
1920.0000 -88.13436 -83.52320 4.61116 2.54611 -83.32160 988.29448
1925.0000 -87.82522 -83.35196 4.47326 2.54518 -83.33214 1025.05609
1930.0000 -88.16669 -84.33040 3.83629 2.49025 -83.95302 962.21731
1935.0000 -88.07907 -83.90352 4.17555 2.46653 -84.22111 912.08665
1940.0000 -87.99081 -82.64732 5.34349 2.58324 -82.90194 991.93874
1945.0000 -87.27032 -82.98515 4.28517 2.58297 -82.90495 1077.94460
1950.0000 -87.18854 -82.05913 5.12941 2.61730 -82.51697 1040.97610
1955.0000 -87.30470 -82.67988 4.62482 2.60622 -82.64224 1024.19651
1960.0000 -88.75753 -84.58507 4.17246 2.55226 -83.25216 1035.73647
1965.0000 -89.57186 -84.05467 5.51720 2.42165 -84.72840 949.92470
1970.0000 -88.76540 -84.94050 3.82490 2.44326 -84.48413 925.51845
1975.0000 -89.42441 -85.08230 4.34212 2.45250 -84.37968 973.79053
1980.0000 -88.28238 -83.91170 4.37068 2.45175 -84.38817 942.30200
1985.0000 -90.07434 -86.77414 3.30020 2.31776 -85.90263 806.38535
1990.0000 -89.56358 -85.30193 4.26166 2.35181 -85.51775 861.47206
1995.0000 -88.93693 -85.16600 3.77093 2.37174 -85.29249 868.63456
2000.0000 -90.80529 -85.67047 5.13481 2.35913 -85.43509 811.10534
FREEZING PROCESS: loop number 9 T-loop= 915.00000000000000
main_MD> interactions number 9 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77930 -1.93447 4.37532
force_rgl> df(natom) -0.13896 5.89098 1.64714
2005.0000 -88.32800 -83.68292 4.64508 2.42105 -84.73514 936.01285
2010.0000 -89.06136 -85.33892 3.72243 2.38076 -85.19055 870.44658
2015.0000 -90.21287 -85.62177 4.59111 2.37569 -85.24789 870.28586
2020.0000 -89.32203 -85.11826 4.20377 2.37967 -85.20288 863.36435
2025.0000 -88.49090 -83.68785 4.80305 2.45233 -84.38163 929.55089
2030.0000 -88.02444 -84.04524 3.97921 2.44489 -84.46575 933.38662
2035.0000 -89.26316 -83.92450 5.33866 2.49162 -83.93748 1008.72161
2040.0000 -89.55887 -84.67002 4.88884 2.50546 -83.78110 990.97435
2045.0000 -89.56458 -86.23868 3.32590 2.38500 -85.14268 871.34280
2050.0000 -89.37196 -85.87026 3.50169 2.32799 -85.78697 807.43049
2055.0000 -89.57854 -84.82763 4.75090 2.40837 -84.87846 914.69118
2060.0000 -88.72810 -83.82797 4.90013 2.43484 -84.57927 962.21497
2065.0000 -88.55215 -84.51334 4.03881 2.50362 -83.80190 979.45921
2070.0000 -89.40497 -85.62922 3.77575 2.40203 -84.95013 910.88479
2075.0000 -90.61737 -87.08810 3.52927 2.29799 -86.12612 800.47951
2080.0000 -89.15929 -84.52108 4.63821 2.29352 -86.17665 852.01021
2085.0000 -89.55576 -84.82777 4.72799 2.41349 -84.82061 918.06396
2090.0000 -89.54540 -85.47057 4.07484 2.41123 -84.84617 909.87073
2095.0000 -88.50822 -84.86974 3.63849 2.38337 -85.16104 868.33315
2100.0000 -89.23983 -83.92012 5.31971 2.38955 -85.09118 888.05912
2105.0000 -89.66085 -84.79512 4.86573 2.47762 -84.09572 957.39504
2110.0000 -90.18191 -85.47112 4.71080 2.35327 -85.50130 831.41360
2115.0000 -89.93943 -85.69669 4.24274 2.36483 -85.37065 845.27628
2120.0000 -89.55226 -85.04618 4.50608 2.37196 -85.29003 893.21400
2125.0000 -89.77108 -85.77032 4.00076 2.35464 -85.48579 831.45716
2130.0000 -89.72925 -85.40752 4.32173 2.34725 -85.56929 849.66530
2135.0000 -90.29540 -85.89588 4.39952 2.33696 -85.68560 857.14051
2140.0000 -89.86557 -85.53612 4.32945 2.34838 -85.55651 877.40796
2145.0000 -89.27657 -85.10824 4.16833 2.42483 -84.69245 919.33969
2150.0000 -90.34810 -85.78115 4.56695 2.40796 -84.88307 896.13425
2155.0000 -90.14333 -85.37470 4.76863 2.31701 -85.91117 828.92918
2160.0000 -89.44398 -85.12505 4.31893 2.33485 -85.70943 887.30746
2165.0000 -88.89803 -84.30506 4.59297 2.42069 -84.73925 861.71262
2170.0000 -90.19316 -84.67550 5.51766 2.44442 -84.47099 964.20017
2175.0000 -89.15797 -83.96737 5.19060 2.45369 -84.36622 960.19349
2180.0000 -89.68444 -84.27160 5.41284 2.40200 -84.95052 937.08486
2185.0000 -88.63992 -84.51867 4.12124 2.51851 -83.63363 958.38377
2190.0000 -89.61566 -85.54537 4.07029 2.41617 -84.79033 880.79519
2195.0000 -90.10929 -86.68407 3.42522 2.33109 -85.75193 848.89564
2200.0000 -89.06180 -85.40424 3.65756 2.31555 -85.92765 815.19699
2205.0000 -90.43823 -85.54204 4.89619 2.38692 -85.12093 864.62114
2210.0000 -89.25468 -85.40530 3.84938 2.40025 -84.97028 901.41116
2215.0000 -90.58517 -86.17528 4.40990 2.28637 -86.25741 775.43370
2220.0000 -90.82913 -86.69591 4.13322 2.28467 -86.27662 789.44109
2225.0000 -91.05680 -85.73724 5.31956 2.27940 -86.33618 788.31295
2230.0000 -89.97783 -85.79448 4.18335 2.30432 -86.05453 784.77651
2235.0000 -89.74346 -85.56959 4.17387 2.33697 -85.68547 864.32839
2240.0000 -89.82270 -85.58393 4.23877 2.35727 -85.45601 864.78312
2245.0000 -88.87914 -84.52347 4.35567 2.39208 -85.06266 908.09759
2250.0000 -89.50383 -84.86209 4.64174 2.37597 -85.24470 895.30180
FREEZING PROCESS: loop number 10 T-loop= 890.00000000000000
main_MD> interactions number 10 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.71555 1.06749 1.91909
force_rgl> df(natom) -2.91189 -5.45438 0.99228
2255.0000 -89.07054 -83.05932 6.01122 2.44040 -84.51645 949.94534
2260.0000 -89.27223 -83.72406 5.54816 2.49419 -83.90843 987.68761
2265.0000 -89.81527 -84.71671 5.09856 2.48669 -83.99321 952.38407
2270.0000 -89.67689 -85.66623 4.01066 2.47663 -84.10700 934.16446
2275.0000 -90.15425 -86.24829 3.90596 2.34557 -85.58836 803.98561
2280.0000 -89.33243 -85.90581 3.42662 2.32343 -85.83859 811.78641
2285.0000 -90.26042 -85.75285 4.50757 2.28652 -86.25570 776.91344
2290.0000 -89.93161 -85.31305 4.61856 2.37053 -85.30613 870.79611
2295.0000 -88.95384 -84.02801 4.92583 2.46886 -84.19475 927.20213
2300.0000 -88.51271 -84.15631 4.35641 2.50672 -83.76684 934.48114
2305.0000 -88.57711 -83.23222 5.34489 2.48753 -83.98375 953.41431
2310.0000 -88.30047 -83.34745 4.95302 2.53765 -83.41723 1022.89290
2315.0000 -88.67389 -84.55633 4.11756 2.46348 -84.25562 933.48389
2320.0000 -88.11304 -82.91322 5.19981 2.48076 -84.06024 913.31909
2325.0000 -88.33690 -83.39793 4.93896 2.52990 -83.50489 974.23663
2330.0000 -88.33969 -84.45527 3.88442 2.45914 -84.30469 918.06544
2335.0000 -88.76502 -83.88690 4.87812 2.46112 -84.28230 937.89919
2340.0000 -88.69159 -84.55696 4.13464 2.51994 -83.61746 998.37029
2345.0000 -88.13438 -83.23897 4.89542 2.49340 -83.91738 942.61511
2350.0000 -88.90177 -84.94986 3.95190 2.52010 -83.61561 1012.23424
2355.0000 -89.37689 -83.98929 5.38760 2.45210 -84.38419 943.45701
2360.0000 -89.69520 -85.27503 4.42018 2.40601 -84.90521 945.09813
2365.0000 -90.29103 -85.79830 4.49273 2.30066 -86.09590 817.94584
2370.0000 -88.12160 -83.64114 4.48045 2.45025 -84.40514 928.49880
2375.0000 -89.92662 -84.63688 5.28975 2.47024 -84.17920 959.29376
2380.0000 -89.71938 -84.98028 4.73910 2.40656 -84.89893 888.61574
2385.0000 -89.62603 -84.67710 4.94893 2.40571 -84.90853 892.10447
2390.0000 -89.69393 -85.16889 4.52503 2.33918 -85.66048 869.23910
2395.0000 -89.27386 -85.25529 4.01857 2.39110 -85.07369 888.60315
2400.0000 -89.05555 -84.08247 4.97309 2.44437 -84.47158 931.72249
2405.0000 -90.14819 -85.53078 4.61741 2.39498 -85.02989 898.52857
2410.0000 -90.27468 -84.98232 5.29237 2.39044 -85.08119 916.90963
2415.0000 -89.35956 -85.15229 4.20727 2.35289 -85.50561 838.96634
2420.0000 -88.91993 -83.31962 5.60032 2.46963 -84.18611 947.51588
2425.0000 -89.53759 -85.01885 4.51874 2.45286 -84.37567 977.94256
2430.0000 -89.11826 -85.21832 3.89994 2.33970 -85.65466 841.45796
2435.0000 -89.37309 -86.26615 3.10694 2.35152 -85.52104 834.36409
2440.0000 -89.08860 -84.90065 4.18796 2.34324 -85.61465 865.82441
2445.0000 -89.49917 -84.62690 4.87227 2.41588 -84.79357 890.65806
2450.0000 -88.18498 -84.24603 3.93895 2.39033 -85.08244 895.09499
2455.0000 -88.34356 -83.77392 4.56964 2.45926 -84.30330 917.97143
2460.0000 -87.74178 -84.22396 3.51783 2.53779 -83.41569 1010.11915
2465.0000 -90.49620 -86.29502 4.20119 2.37058 -85.30561 788.96859
2470.0000 -88.58666 -85.38181 3.20485 2.34546 -85.58952 793.58162
2475.0000 -90.55531 -86.79462 3.76068 2.28377 -86.28678 805.45980
2480.0000 -90.97468 -86.79180 4.18288 2.28720 -86.24805 850.94849
2485.0000 -90.36668 -86.10466 4.26202 2.26165 -86.53687 819.55629
2490.0000 -89.73313 -85.39332 4.33981 2.29706 -86.13663 815.33266
2495.0000 -88.68109 -84.29732 4.38377 2.45273 -84.37705 966.83300
2500.0000 -89.04458 -85.35612 3.68847 2.44667 -84.44556 873.31533
FREEZING PROCESS: loop number 11 T-loop= 865.00000000000000
main_MD> interactions number 11 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36084 0.55200 2.12130
force_rgl> df(natom) 2.97945 -1.22973 1.84977
2505.0000 -90.45043 -86.18879 4.26164 2.38930 -85.09399 861.15708
2510.0000 -90.14359 -85.61594 4.52764 2.33922 -85.66009 847.42133
2515.0000 -89.68272 -84.92595 4.75677 2.42425 -84.69899 930.77742
2520.0000 -89.35906 -85.58381 3.77525 2.38070 -85.19118 868.80417
2525.0000 -90.19467 -85.68933 4.50533 2.30443 -86.05334 812.34305
2530.0000 -90.07691 -85.87146 4.20545 2.33194 -85.74239 843.88347
2535.0000 -90.61176 -86.26256 4.34920 2.28409 -86.28325 804.50847
2540.0000 -88.74934 -84.50937 4.23997 2.38289 -85.16654 910.45216
2545.0000 -89.64141 -84.97603 4.66538 2.44420 -84.47350 926.04689
2550.0000 -88.98986 -85.26499 3.72487 2.40637 -84.90106 927.71907
2555.0000 -90.64869 -84.83046 5.81824 2.41667 -84.78466 961.59941
2560.0000 -89.76908 -85.89736 3.87172 2.36582 -85.35939 875.08915
2565.0000 -88.51177 -84.95391 3.55787 2.34627 -85.58038 863.13792
2570.0000 -89.18900 -84.63022 4.55879 2.35361 -85.49746 864.43220
2575.0000 -89.14935 -85.40482 3.74453 2.42433 -84.69808 902.70640
2580.0000 -90.78291 -86.62519 4.15772 2.29336 -86.17845 780.99724
2585.0000 -89.98451 -86.54935 3.43516 2.26216 -86.53113 784.39789
2590.0000 -90.68905 -86.50427 4.18478 2.24845 -86.68602 797.42207
2595.0000 -89.50821 -84.90204 4.60617 2.33361 -85.72354 832.44790
2600.0000 -89.76998 -84.27303 5.49696 2.40809 -84.88169 908.21627
2605.0000 -89.75645 -86.09565 3.66080 2.32296 -85.84382 822.57507
2610.0000 -89.02359 -83.78710 5.23649 2.42181 -84.72655 933.57037
2615.0000 -90.95260 -86.42170 4.53090 2.38755 -85.11384 933.17442
2620.0000 -89.04582 -84.75913 4.28669 2.36715 -85.34443 881.27391
2625.0000 -90.15771 -85.56725 4.59046 2.34466 -85.59855 823.42549
2630.0000 -89.45760 -84.92085 4.53675 2.39785 -84.99736 900.53749
2635.0000 -88.84949 -84.79443 4.05506 2.35194 -85.51629 845.71679
2640.0000 -90.43243 -85.86755 4.56488 2.36532 -85.36506 876.05599
2645.0000 -88.91007 -85.29776 3.61230 2.35103 -85.52657 833.60447
2650.0000 -88.88985 -84.52398 4.36587 2.44905 -84.41871 923.89181
2655.0000 -89.03769 -84.48110 4.55659 2.48827 -83.97544 1009.05333
2660.0000 -88.25645 -84.11661 4.13984 2.47565 -84.11807 932.23082
2665.0000 -89.52932 -85.14915 4.38017 2.45590 -84.34128 937.12623
2670.0000 -89.15930 -85.72159 3.43771 2.29882 -86.11670 823.25162
2675.0000 -90.20726 -86.73614 3.47111 2.29906 -86.11396 806.79960
2680.0000 -89.90627 -85.49329 4.41298 2.33561 -85.70088 833.79650
2685.0000 -90.03008 -85.44038 4.58970 2.36042 -85.42045 861.41164
2690.0000 -88.98075 -84.92340 4.05735 2.40754 -84.88785 881.47724
2695.0000 -88.45657 -84.09311 4.36347 2.46868 -84.19679 926.84312
2700.0000 -89.32446 -85.48939 3.83507 2.36964 -85.31621 893.53541
2705.0000 -90.86986 -86.50627 4.36360 2.29250 -86.18816 801.85367
2710.0000 -90.23736 -86.23689 4.00046 2.32323 -85.84086 809.40566
2715.0000 -88.65369 -84.76105 3.89264 2.32183 -85.85664 842.85169
2720.0000 -88.83494 -84.90765 3.92729 2.34180 -85.63096 862.31761
2725.0000 -89.64566 -85.25042 4.39525 2.32646 -85.80430 821.00329
2730.0000 -89.48310 -83.52580 5.95730 2.47020 -84.17958 955.28044
2735.0000 -88.41407 -84.28416 4.12991 2.55341 -83.23914 1008.15332
2740.0000 -89.29623 -85.81009 3.48614 2.38590 -85.13249 855.77347
2745.0000 -88.59497 -84.41925 4.17572 2.41264 -84.83023 878.24991
2750.0000 -88.38524 -84.00334 4.38190 2.47061 -84.17503 925.64020
FREEZING PROCESS: loop number 12 T-loop= 840.00000000000000
main_MD> interactions number 12 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.42886 -5.86308 -2.59955
force_rgl> df(natom) -2.31908 -1.51869 0.56833
2755.0000 -89.82161 -85.14537 4.67624 2.41953 -84.75238 917.67399
2760.0000 -89.70197 -86.25650 3.44547 2.32640 -85.80501 851.79319
2765.0000 -90.20498 -84.15040 6.05459 2.39902 -84.98415 886.11055
2770.0000 -90.03909 -85.81473 4.22436 2.41536 -84.79946 924.44276
2775.0000 -90.59163 -86.73665 3.85499 2.29587 -86.15001 800.21389
2780.0000 -89.98630 -86.68064 3.30567 2.25990 -86.55660 780.94349
2785.0000 -90.09976 -86.37578 3.72398 2.27714 -86.36180 796.47764
2790.0000 -89.66434 -86.33530 3.32904 2.26905 -86.45316 818.93159
2795.0000 -89.80625 -86.42029 3.38596 2.23689 -86.81673 761.53030
2800.0000 -90.95434 -86.48744 4.46690 2.25271 -86.63787 801.15954
2805.0000 -89.25839 -85.54592 3.71248 2.28649 -86.25603 820.65840
2810.0000 -89.67013 -85.34012 4.33000 2.34315 -85.61560 827.14044
2815.0000 -88.92482 -84.44412 4.48070 2.38421 -85.15156 871.62269
2820.0000 -89.79522 -86.79031 3.00491 2.34104 -85.63947 861.66168
2825.0000 -90.98734 -86.06873 4.91861 2.26115 -86.54251 800.93775
2830.0000 -90.49095 -86.97633 3.51462 2.27220 -86.41759 795.82427
2835.0000 -90.91173 -86.64898 4.26275 2.28096 -86.31853 797.66091
2840.0000 -90.70174 -85.66821 5.03353 2.28522 -86.27040 796.54970
2845.0000 -91.00158 -86.42477 4.57681 2.29958 -86.10818 843.38679
2850.0000 -90.75204 -86.42644 4.32560 2.28451 -86.27846 811.42068
2855.0000 -91.05662 -87.39012 3.66650 2.24952 -86.67396 776.85573
2860.0000 -91.10383 -87.28701 3.81682 2.17058 -87.56619 736.92241
2865.0000 -90.42393 -86.46307 3.96086 2.24888 -86.68115 824.83038
2870.0000 -90.31396 -86.09223 4.22173 2.26766 -86.46891 816.53960
2875.0000 -90.50799 -86.30751 4.20048 2.34289 -85.61862 840.45184
2880.0000 -90.64261 -86.89677 3.74584 2.27670 -86.36674 826.97969
2885.0000 -90.16244 -86.59351 3.56893 2.24251 -86.75314 806.98150
2890.0000 -90.37729 -86.00655 4.37074 2.29017 -86.21448 785.92187
2895.0000 -90.09345 -85.38998 4.70346 2.35146 -85.52178 869.40293
2900.0000 -89.48822 -85.16160 4.32661 2.41484 -84.80537 900.62372
2905.0000 -90.60478 -87.11247 3.49231 2.23505 -86.83748 768.67276
2910.0000 -91.02426 -87.02627 3.99800 2.20726 -87.15166 716.39839
2915.0000 -89.97257 -85.40108 4.57149 2.25267 -86.63838 771.18831
2920.0000 -88.82971 -84.88687 3.94284 2.38616 -85.12954 851.79107
2925.0000 -90.69013 -85.73114 4.95899 2.37321 -85.27586 858.63148
2930.0000 -89.94788 -85.83486 4.11303 2.25803 -86.57772 783.17642
2935.0000 -89.02579 -85.23952 3.78627 2.36261 -85.39574 880.84011
2940.0000 -89.60733 -85.88060 3.72673 2.34599 -85.58361 859.85305
2945.0000 -89.71797 -85.03483 4.68314 2.37602 -85.24413 874.77347
2950.0000 -90.55784 -86.32424 4.23360 2.34610 -85.58226 832.01454
2955.0000 -90.05121 -86.11663 3.93458 2.22878 -86.90836 727.32936
2960.0000 -89.48952 -84.65160 4.83792 2.33602 -85.69630 835.97901
2965.0000 -90.70700 -85.43043 5.27656 2.43067 -84.62642 952.90510
2970.0000 -89.47447 -85.87525 3.59921 2.33647 -85.69111 846.34635
2975.0000 -89.39977 -85.27694 4.12283 2.32723 -85.79560 813.92603
2980.0000 -90.05066 -86.13754 3.91311 2.35413 -85.49152 849.15553
2985.0000 -88.70655 -84.13635 4.57020 2.37783 -85.22372 883.74350
2990.0000 -88.78776 -84.47286 4.31490 2.43901 -84.53218 913.23149
2995.0000 -90.98753 -86.28271 4.70482 2.37479 -85.25805 848.25251
3000.0000 -90.20619 -85.53009 4.67610 2.31532 -85.93022 822.83255
FREEZING PROCESS: loop number 13 T-loop= 815.00000000000000
main_MD> interactions number 13 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54816 -0.65101 4.79588
force_rgl> df(natom) -0.81818 -1.81486 -1.83611
3005.0000 -89.79197 -85.91599 3.87597 2.34910 -85.54840 862.99324
3010.0000 -89.32513 -85.78734 3.53779 2.28261 -86.29994 837.40949
3015.0000 -90.68488 -86.76341 3.92147 2.29282 -86.18449 833.81802
3020.0000 -90.33635 -86.77989 3.55646 2.22212 -86.98363 758.24033
3025.0000 -89.46024 -85.12688 4.33336 2.31965 -85.88128 809.83587
3030.0000 -89.80386 -85.63847 4.16539 2.34652 -85.57753 852.93320
3035.0000 -90.05222 -86.28310 3.76913 2.29198 -86.19403 816.01149
3040.0000 -88.71452 -84.95829 3.75623 2.31906 -85.88794 822.09809
3045.0000 -89.66019 -86.25418 3.40601 2.37041 -85.30758 830.53654
3050.0000 -90.31057 -86.20331 4.10727 2.28375 -86.28710 782.81499
3055.0000 -89.18686 -85.10578 4.08107 2.37771 -85.22501 845.44768
3060.0000 -88.79837 -84.74259 4.05579 2.41163 -84.84161 900.79339
3065.0000 -89.76735 -85.78642 3.98092 2.40377 -84.93044 929.80095
3070.0000 -90.42152 -86.29064 4.13088 2.30468 -86.05043 845.52613
3075.0000 -89.51155 -86.13993 3.37162 2.31659 -85.91582 822.84404
3080.0000 -90.00338 -86.43832 3.56506 2.28033 -86.32568 804.86160
3085.0000 -90.13667 -85.90539 4.23129 2.30450 -86.05246 830.30436
3090.0000 -89.27779 -85.07131 4.20648 2.34256 -85.62231 833.27535
3095.0000 -89.28833 -84.78741 4.50092 2.43337 -84.59586 930.76953
3100.0000 -89.34394 -85.28884 4.05510 2.40704 -84.89352 926.96943
3105.0000 -90.22575 -85.86929 4.35647 2.33334 -85.72654 859.49010
3110.0000 -89.81030 -86.28204 3.52826 2.30731 -86.02074 858.16635
3115.0000 -89.41425 -85.56637 3.84787 2.36596 -85.35787 834.67475
3120.0000 -89.97593 -86.43582 3.54011 2.31642 -85.91774 820.46075
3125.0000 -90.60907 -85.65188 4.95719 2.27113 -86.42970 810.79985
3130.0000 -90.93008 -85.92082 5.00925 2.34373 -85.60915 875.50698
3135.0000 -91.03434 -87.40656 3.62779 2.21632 -87.04918 758.46396
3140.0000 -90.98783 -87.33281 3.65501 2.22207 -86.98420 787.07166
3145.0000 -91.15763 -87.92395 3.23367 2.13071 -88.01688 689.45739
3150.0000 -89.59594 -86.42121 3.17473 2.23142 -86.87856 760.65898
3155.0000 -89.74037 -86.32853 3.41184 2.22464 -86.95520 758.18474
3160.0000 -89.09506 -84.51196 4.58310 2.33910 -85.66149 853.08490
3165.0000 -89.73092 -84.93338 4.79754 2.40069 -84.96527 928.07273
3170.0000 -90.10247 -86.76720 3.33527 2.31577 -85.92509 825.80808
3175.0000 -90.69925 -87.17827 3.52098 2.23617 -86.82488 754.83937
3180.0000 -89.53792 -85.51532 4.02260 2.29773 -86.12908 803.35081
3185.0000 -89.69403 -84.78804 4.90598 2.43896 -84.53269 953.47619
3190.0000 -89.05277 -84.67091 4.38186 2.44156 -84.50330 955.14168
3195.0000 -89.35632 -84.91144 4.44488 2.41544 -84.79862 901.09400
3200.0000 -89.89042 -86.61799 3.27243 2.33127 -85.74996 863.89947
3205.0000 -90.51674 -85.67954 4.83719 2.30693 -86.02504 789.76893
3210.0000 -90.36196 -86.63593 3.72603 2.36955 -85.31729 886.54637
3215.0000 -90.32106 -86.73104 3.59003 2.25978 -86.55797 757.95562
3220.0000 -89.60134 -86.02697 3.57437 2.25700 -86.58939 819.51629
3225.0000 -90.26301 -85.67081 4.59220 2.30147 -86.08680 825.67477
3230.0000 -90.46948 -85.35364 5.11583 2.36617 -85.35543 920.21641
3235.0000 -89.88794 -85.43886 4.44909 2.34273 -85.62045 843.86367
3240.0000 -89.65015 -85.31783 4.33231 2.37700 -85.23309 860.13306
3245.0000 -89.50932 -86.15959 3.34973 2.37646 -85.23918 889.47798
3250.0000 -89.11785 -84.66811 4.44974 2.40442 -84.92314 885.97264
FREEZING PROCESS: loop number 14 T-loop= 790.00000000000000
main_MD> interactions number 14 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.38101 1.96419 -2.06710
force_rgl> df(natom) 1.20487 2.99006 0.63286
3255.0000 -90.84726 -84.92685 5.92041 2.38300 -85.16528 875.55712
3260.0000 -89.93414 -86.09280 3.84134 2.38917 -85.09545 888.40922
3265.0000 -89.81815 -85.93656 3.88160 2.27523 -86.38341 753.42700
3270.0000 -90.48171 -86.82454 3.65717 2.30380 -86.06040 822.10860
3275.0000 -89.60835 -85.98377 3.62458 2.24129 -86.76694 736.00309
3280.0000 -91.18256 -87.28924 3.89332 2.27650 -86.36895 775.10762
3285.0000 -90.87669 -87.58704 3.28964 2.16154 -87.66841 651.64166
3290.0000 -90.12689 -86.84936 3.27753 2.21269 -87.09026 701.90200
3295.0000 -91.20266 -87.33677 3.86590 2.22174 -86.98793 756.74594
3300.0000 -91.97237 -88.25798 3.71439 2.12544 -88.07638 683.41303
3305.0000 -91.14362 -87.69458 3.44904 2.11678 -88.17430 650.87440
3310.0000 -90.94549 -86.12071 4.82478 2.24636 -86.70965 786.59473
3315.0000 -89.77281 -85.51965 4.25316 2.28982 -86.21848 814.34758
3320.0000 -90.38880 -85.72259 4.66621 2.33080 -85.75530 818.69774
3325.0000 -90.01397 -85.76930 4.24466 2.39453 -85.03490 882.70934
3330.0000 -89.82079 -86.30134 3.51946 2.28872 -86.23087 802.75975
3335.0000 -91.34503 -87.57969 3.76533 2.21909 -87.01791 744.19436
3340.0000 -91.00610 -86.41043 4.59568 2.23855 -86.79799 732.14943
3345.0000 -90.72734 -86.53964 4.18769 2.31547 -85.92858 805.68746
3350.0000 -90.22089 -87.19143 3.02946 2.24858 -86.68454 781.21988
3355.0000 -88.87684 -85.50418 3.37266 2.28976 -86.21916 774.75139
3360.0000 -90.18436 -86.12567 4.05868 2.36749 -85.34057 848.36452
3365.0000 -90.02933 -86.19505 3.83428 2.28273 -86.29862 812.47541
3370.0000 -90.27210 -86.25840 4.01370 2.29243 -86.18894 790.66257
3375.0000 -90.62324 -86.45034 4.17290 2.26286 -86.52318 753.71654
3380.0000 -89.62791 -85.73571 3.89220 2.28629 -86.25838 780.08244
3385.0000 -90.53057 -86.22060 4.30997 2.28284 -86.29732 784.78863
3390.0000 -90.77430 -86.46268 4.31161 2.25995 -86.55610 806.28612
3395.0000 -90.39758 -86.79323 3.60435 2.21277 -87.08930 779.42151
3400.0000 -90.28278 -86.94560 3.33718 2.24297 -86.74803 782.67132
3405.0000 -89.24661 -86.08513 3.16148 2.23799 -86.80433 746.60328
3410.0000 -89.47117 -85.79864 3.67253 2.31815 -85.89825 792.86582
3415.0000 -89.54816 -85.73080 3.81735 2.34465 -85.59870 824.67547
3420.0000 -89.32066 -85.09573 4.22493 2.32376 -85.83481 845.61984
3425.0000 -88.04072 -84.43026 3.61045 2.39550 -85.02392 903.54303
3430.0000 -88.80243 -84.40868 4.39376 2.43698 -84.55509 898.76428
3435.0000 -90.06262 -86.10525 3.95737 2.35181 -85.51775 814.06401
3440.0000 -89.98552 -86.82614 3.15938 2.27391 -86.39822 751.81298
3445.0000 -89.42926 -84.37207 5.05720 2.30384 -86.05997 801.17838
3450.0000 -90.27453 -85.56843 4.70610 2.44499 -84.46462 967.26566
3455.0000 -90.58715 -87.14142 3.44573 2.20475 -87.17995 719.24549
3460.0000 -90.39989 -85.95023 4.44966 2.26197 -86.53320 787.57171
3465.0000 -89.87000 -85.59225 4.27775 2.34341 -85.61269 818.89315
3470.0000 -89.66042 -85.77436 3.88605 2.35476 -85.48446 811.92104
3475.0000 -89.76031 -86.00263 3.75768 2.31404 -85.94469 800.94632
3480.0000 -90.46967 -87.15490 3.31477 2.23568 -86.83039 767.07808
3485.0000 -90.31979 -85.63877 4.68102 2.31514 -85.93227 838.39354
3490.0000 -90.09419 -86.49603 3.59816 2.32010 -85.87624 819.84938
3495.0000 -91.38696 -86.61942 4.76754 2.27962 -86.33369 797.76446
3500.0000 -90.48833 -87.21770 3.27063 2.23090 -86.88443 752.44043
FREEZING PROCESS: loop number 15 T-loop= 765.00000000000000
main_MD> interactions number 15 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06671 -3.37576 -1.61212
force_rgl> df(natom) 0.19686 1.45362 -1.63179
3505.0000 -90.15695 -86.90515 3.25180 2.25935 -86.56281 811.44692
3510.0000 -89.34075 -86.15458 3.18617 2.25886 -86.56843 781.65566
3515.0000 -90.35476 -86.38107 3.97369 2.28730 -86.24695 803.29296
3520.0000 -90.90200 -87.37914 3.52286 2.23394 -86.85005 739.17974
3525.0000 -90.67247 -87.40380 3.26867 2.21988 -87.00900 744.24805
3530.0000 -90.41323 -87.19115 3.22208 2.15970 -87.68912 699.40423
3535.0000 -90.83635 -87.18666 3.64969 2.24189 -86.76017 763.21730
3540.0000 -90.23853 -85.67435 4.56418 2.25142 -86.65247 777.70180
3545.0000 -88.11827 -84.85099 3.26728 2.41992 -84.74793 912.39797
3550.0000 -89.50838 -86.73536 2.77302 2.38048 -85.19377 848.03631
3555.0000 -89.80003 -86.10114 3.69889 2.32323 -85.84085 843.83588
3560.0000 -89.92784 -85.98359 3.94425 2.29129 -86.20188 797.71301
3565.0000 -90.22737 -86.78708 3.44029 2.29212 -86.19242 794.77303
3570.0000 -89.49114 -86.05848 3.43266 2.27458 -86.39066 768.30934
3575.0000 -90.17056 -86.80613 3.36443 2.28333 -86.29178 822.86302
3580.0000 -89.23849 -85.66450 3.57399 2.29450 -86.16551 802.77627
3585.0000 -90.85192 -87.10627 3.74565 2.24327 -86.74454 729.28470
3590.0000 -90.31951 -86.64376 3.67576 2.19551 -87.28436 755.94267
3595.0000 -90.59727 -87.00010 3.59717 2.25246 -86.64068 774.55196
3600.0000 -89.60516 -85.33723 4.26794 2.28130 -86.31479 784.37139
3605.0000 -89.91530 -85.66539 4.24992 2.43581 -84.56837 928.79233
3610.0000 -90.95360 -87.37430 3.57929 2.22525 -86.94830 747.18355
3615.0000 -91.17844 -87.90964 3.26880 2.18661 -87.38503 734.97451
3620.0000 -91.31555 -88.22691 3.08864 2.12291 -88.10502 685.06142
3625.0000 -90.95919 -87.26692 3.69226 2.16263 -87.65605 701.03257
3630.0000 -90.72301 -87.07209 3.65092 2.17718 -87.49160 684.71954
3635.0000 -90.11636 -86.73829 3.37807 2.21602 -87.05259 720.22134
3640.0000 -90.19221 -86.55717 3.63504 2.22335 -86.96979 784.96027
3645.0000 -91.49732 -87.82242 3.67490 2.21661 -87.04594 759.82422
3650.0000 -90.61396 -86.70211 3.91185 2.18199 -87.43719 718.47644
3655.0000 -91.22965 -86.69669 4.53296 2.26946 -86.44856 792.84547
3660.0000 -89.54403 -86.07286 3.47117 2.28940 -86.22320 824.54557
3665.0000 -91.24667 -88.10151 3.14516 2.17650 -87.49926 733.79985
3670.0000 -91.12502 -87.59565 3.52936 2.15538 -87.73801 675.88634
3675.0000 -90.73156 -87.16262 3.56894 2.18279 -87.42822 715.23421
3680.0000 -89.63144 -86.36609 3.26535 2.22078 -86.99885 735.40765
3685.0000 -90.57646 -86.84820 3.72826 2.26071 -86.54749 755.77662
3690.0000 -90.60345 -87.13977 3.46368 2.22696 -86.92895 745.16534
3695.0000 -91.07347 -88.11966 2.95382 2.18876 -87.36071 720.25559
3700.0000 -91.05170 -88.14670 2.90500 2.11210 -88.22721 631.33349
3705.0000 -90.31535 -87.28901 3.02635 2.18039 -87.45534 705.45177
3710.0000 -90.48253 -87.21102 3.27151 2.21568 -87.05649 752.38707
3715.0000 -90.80782 -87.68078 3.12704 2.18548 -87.39778 718.55575
3720.0000 -90.30842 -87.21927 3.08914 2.15779 -87.71075 633.29871
3725.0000 -90.22898 -87.16802 3.06096 2.24942 -86.67506 756.64320
3730.0000 -91.08602 -87.38866 3.69737 2.20408 -87.18751 750.28882
3735.0000 -91.23810 -87.46633 3.77177 2.19288 -87.31416 730.93944
3740.0000 -91.02116 -87.95324 3.06792 2.16731 -87.60315 720.18359
3745.0000 -90.63638 -87.40280 3.23358 2.21262 -87.09097 744.01648
3750.0000 -89.20416 -85.69868 3.50548 2.27152 -86.42530 790.44146
FREEZING PROCESS: loop number 16 T-loop= 740.00000000000000
main_MD> interactions number 16 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.37919 -2.57499 -1.80419
force_rgl> df(natom) 0.21505 -1.69893 2.13973
3755.0000 -90.15999 -86.89262 3.26737 2.29404 -86.17078 797.44819
3760.0000 -91.09588 -87.39594 3.69994 2.23136 -86.87919 774.92178
3765.0000 -91.03666 -87.58098 3.45568 2.17503 -87.51592 737.27344
3770.0000 -91.47138 -88.65692 2.81446 2.12623 -88.06745 676.54740
3775.0000 -91.17397 -87.28518 3.88879 2.12786 -88.04908 668.97950
3780.0000 -91.76545 -87.98937 3.77608 2.15867 -87.70086 702.07517
3785.0000 -91.43887 -88.28986 3.14901 2.18096 -87.44892 713.92987
3790.0000 -91.04063 -88.51982 2.52081 2.09503 -88.42016 675.73298
3795.0000 -91.30464 -88.66811 2.63653 2.10401 -88.31861 658.85052
3800.0000 -90.77510 -87.20605 3.56905 2.15604 -87.73051 691.66021
3805.0000 -90.05903 -86.82761 3.23142 2.20915 -87.13021 765.17131
3810.0000 -92.03634 -88.15912 3.87722 2.12408 -88.09182 682.04554
3815.0000 -90.29216 -87.10141 3.19075 2.16293 -87.65267 723.43032
3820.0000 -90.28094 -87.21213 3.06881 2.23837 -86.79998 773.74199
3825.0000 -92.30264 -88.19433 4.10832 2.11442 -88.20093 691.68450
3830.0000 -91.08679 -87.03829 4.04850 2.14983 -87.80078 715.21973
3835.0000 -90.25800 -86.65870 3.59931 2.24986 -86.67006 779.93367
3840.0000 -91.15235 -87.10131 4.05104 2.29337 -86.17828 808.82330
3845.0000 -90.73404 -86.09057 4.64347 2.24421 -86.73397 791.28141
3850.0000 -90.44030 -86.91055 3.52975 2.28395 -86.28483 782.45052
3855.0000 -91.67170 -88.45803 3.21367 2.17939 -87.46657 671.85300
3860.0000 -90.72837 -88.03608 2.69230 2.14413 -87.86518 686.62691
3865.0000 -91.29034 -87.63212 3.65822 2.15330 -87.76148 680.28581
3870.0000 -90.61267 -87.94522 2.66745 2.13728 -87.94254 673.12081
3875.0000 -90.84870 -86.13173 4.71697 2.23131 -86.87976 739.61547
3880.0000 -89.96975 -85.81210 4.15765 2.29521 -86.15746 818.16360
3885.0000 -90.57717 -86.76619 3.81099 2.26064 -86.54831 756.76506
3890.0000 -89.85673 -86.24997 3.60675 2.21036 -87.11653 720.43579
3895.0000 -90.37041 -86.39084 3.97956 2.26061 -86.54863 760.54453
3900.0000 -90.83947 -86.37965 4.45982 2.26995 -86.44308 817.31989
3905.0000 -90.80991 -86.12145 4.68846 2.27639 -86.37023 765.24204
3910.0000 -90.16184 -86.35540 3.80644 2.27040 -86.43791 743.78285
3915.0000 -91.16701 -87.22041 3.94660 2.29090 -86.20618 793.87820
3920.0000 -90.23093 -86.38234 3.84859 2.29456 -86.16488 811.99930
3925.0000 -90.42702 -86.47462 3.95240 2.24780 -86.69339 760.87481
3930.0000 -90.76529 -87.16966 3.59563 2.21317 -87.08477 744.21095
3935.0000 -90.43777 -86.44209 3.99568 2.21743 -87.03667 767.64546
3940.0000 -90.40081 -86.95731 3.44350 2.27059 -86.43582 774.97681
3945.0000 -91.66406 -87.58499 4.07907 2.21700 -87.04154 752.91381
3950.0000 -91.63793 -88.40113 3.23680 2.15964 -87.68989 724.64944
3955.0000 -91.53771 -87.05500 4.48271 2.17639 -87.50053 716.01178
3960.0000 -90.94174 -87.51200 3.42974 2.20151 -87.21657 735.29381
3965.0000 -90.51883 -87.33062 3.18822 2.19939 -87.24053 753.38464
3970.0000 -90.75136 -87.13620 3.61516 2.17849 -87.47675 709.61570
3975.0000 -90.73691 -86.86883 3.86808 2.23999 -86.78170 760.97362
3980.0000 -90.24942 -86.74769 3.50172 2.24467 -86.72875 751.34354
3985.0000 -90.53787 -86.58338 3.95448 2.28230 -86.30338 797.80091
3990.0000 -90.73251 -87.38685 3.34566 2.24180 -86.76124 734.49195
3995.0000 -89.47885 -84.92095 4.55790 2.31171 -85.97098 807.84483
4000.0000 -90.80640 -86.45422 4.35218 2.30792 -86.01392 807.40946
FREEZING PROCESS: loop number 17 T-loop= 715.00000000000000
main_MD> interactions number 17 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.98003 -2.73832 -0.36323
force_rgl> df(natom) 1.81700 2.44790 0.02882
4005.0000 -90.69196 -87.20918 3.48278 2.20829 -87.13994 729.48112
4010.0000 -91.06743 -87.78145 3.28598 2.17927 -87.46799 686.14653
4015.0000 -90.85440 -87.28738 3.56702 2.16042 -87.68107 711.52713
4020.0000 -90.14153 -87.30547 2.83606 2.16273 -87.65488 731.89302
4025.0000 -90.27327 -86.54213 3.73114 2.24144 -86.76528 773.61110
4030.0000 -90.61322 -86.46198 4.15123 2.34829 -85.55752 897.76925
4035.0000 -90.82065 -87.51645 3.30420 2.26314 -86.51997 787.16229
4040.0000 -91.20290 -87.81303 3.38987 2.18377 -87.41717 732.88176
4045.0000 -91.13980 -87.92867 3.21114 2.14806 -87.82072 683.17074
4050.0000 -90.79051 -87.94523 2.84528 2.15190 -87.77729 681.72864
4055.0000 -91.19966 -87.74190 3.45776 2.15717 -87.71775 707.18707
4060.0000 -91.58075 -87.61224 3.96851 2.15351 -87.75919 682.80131
4065.0000 -91.14218 -87.69063 3.45156 2.09912 -88.37391 661.09015
4070.0000 -91.42610 -88.48319 2.94291 2.11924 -88.14645 655.38355
4075.0000 -91.71170 -88.29403 3.41767 2.05459 -88.87723 593.47334
4080.0000 -91.34990 -87.92492 3.42498 2.14634 -87.84012 688.80549
4085.0000 -90.97786 -87.16567 3.81219 2.18859 -87.36260 734.54341
4090.0000 -90.68117 -87.43377 3.24740 2.17253 -87.54421 693.36455
4095.0000 -90.08242 -87.41373 2.66869 2.18185 -87.43883 728.81238
4100.0000 -91.01055 -87.43235 3.57820 2.21795 -87.03081 771.47664
4105.0000 -91.55594 -87.10337 4.45257 2.17269 -87.54230 730.42537
4110.0000 -91.35595 -87.61422 3.74173 2.21109 -87.10833 769.36704
4115.0000 -91.31122 -86.59882 4.71240 2.23407 -86.84854 765.71915
4120.0000 -90.59892 -87.43378 3.16514 2.22894 -86.90660 738.29092
4125.0000 -90.56128 -86.21631 4.34497 2.25347 -86.62935 774.78962
4130.0000 -90.13480 -87.09102 3.04378 2.23606 -86.82612 742.93020
4135.0000 -90.45333 -87.48694 2.96639 2.21580 -87.05504 724.44802
4140.0000 -90.80163 -87.74409 3.05754 2.19670 -87.27092 732.14272
4145.0000 -90.71421 -87.91943 2.79478 2.20019 -87.23154 765.99069
4150.0000 -90.06728 -86.61472 3.45256 2.24974 -86.67151 773.45380
4155.0000 -91.79037 -88.67905 3.11132 2.15840 -87.70381 664.96768
4160.0000 -92.16032 -88.93050 3.22981 2.04338 -89.00397 607.38318
4165.0000 -90.73795 -87.89475 2.84320 2.10610 -88.29496 668.43616
4170.0000 -91.81456 -87.40060 4.41396 2.13637 -87.95284 695.18820
4175.0000 -91.41742 -87.46873 3.94868 2.17057 -87.56627 705.44779
4180.0000 -91.70864 -87.99599 3.71265 2.14418 -87.86464 683.44938
4185.0000 -90.86660 -87.19026 3.67634 2.17604 -87.50454 687.11021
4190.0000 -91.07030 -87.63206 3.43824 2.21223 -87.09546 744.14366
4195.0000 -90.85059 -87.95995 2.89064 2.14526 -87.85239 694.30897
4200.0000 -90.94650 -87.89414 3.05236 2.12767 -88.05125 684.35078
4205.0000 -92.12151 -88.66811 3.45340 2.10954 -88.25612 660.58957
4210.0000 -91.68834 -88.50235 3.18599 2.07385 -88.65958 618.56549
4215.0000 -91.80667 -88.03452 3.77215 2.09891 -88.37625 672.50939
4220.0000 -91.25973 -87.72857 3.53116 2.14330 -87.87449 709.55944
4225.0000 -91.02948 -87.87058 3.15890 2.19706 -87.26686 734.69469
4230.0000 -90.28898 -86.77896 3.51002 2.20274 -87.20272 707.40673
4235.0000 -91.00368 -87.76464 3.23903 2.20269 -87.20325 711.30920
4240.0000 -90.11520 -87.08280 3.03240 2.17862 -87.47529 702.29006
4245.0000 -91.17367 -87.28471 3.88897 2.23910 -86.79168 774.04954
4250.0000 -91.09600 -87.60319 3.49281 2.20471 -87.18048 752.04183
FREEZING PROCESS: loop number 18 T-loop= 690.00000000000000
main_MD> interactions number 18 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39277 -0.64127 -1.31699
force_rgl> df(natom) -3.26458 0.85131 1.44632
4255.0000 -91.83472 -88.25473 3.57999 2.14130 -87.89719 703.87507
4260.0000 -91.27222 -88.08439 3.18783 2.08828 -88.49643 659.63712
4265.0000 -91.58033 -87.55954 4.02079 2.13850 -87.92878 696.05091
4270.0000 -90.55151 -87.49952 3.05199 2.16302 -87.65167 720.29121
4275.0000 -92.00140 -88.94893 3.05247 2.09278 -88.44561 669.74308
4280.0000 -92.11550 -88.87096 3.24454 2.07413 -88.65640 663.90053
4285.0000 -91.75330 -88.06963 3.68366 2.09839 -88.38217 650.99663
4290.0000 -91.27166 -88.00365 3.26801 2.11321 -88.21466 672.29007
4295.0000 -90.29849 -87.22659 3.07190 2.14945 -87.80501 656.35908
4300.0000 -90.98457 -87.54733 3.43724 2.18753 -87.37460 748.47264
4305.0000 -91.45706 -87.04716 4.40990 2.21690 -87.04268 759.68241
4310.0000 -90.75889 -86.95437 3.80452 2.24120 -86.76803 755.28466
4315.0000 -91.30060 -88.49908 2.80152 2.20032 -87.23007 737.32559
4320.0000 -90.58973 -87.21742 3.37231 2.16644 -87.61294 708.95398
4325.0000 -91.19560 -87.17110 4.02450 2.18718 -87.37855 722.53730
4330.0000 -90.70663 -87.34810 3.35853 2.21940 -87.01440 739.38118
4335.0000 -90.52849 -86.89826 3.63023 2.18756 -87.37430 688.06590
4340.0000 -91.16617 -87.19742 3.96875 2.19341 -87.30812 709.65438
4345.0000 -91.37753 -87.23107 4.14646 2.21948 -87.01345 719.51182
4350.0000 -90.92179 -87.52296 3.39882 2.16847 -87.59005 693.87665
4355.0000 -92.08231 -89.00757 3.07474 2.14513 -87.85383 677.34031
4360.0000 -91.74091 -88.70423 3.03668 2.09652 -88.40325 659.67825
4365.0000 -91.61548 -88.34199 3.27349 2.07014 -88.70150 635.29671
4370.0000 -90.69899 -87.87246 2.82654 2.12741 -88.05410 679.24993
4375.0000 -90.77475 -87.77193 3.00281 2.18119 -87.44629 721.79246
4380.0000 -91.56685 -87.96578 3.60107 2.15851 -87.70257 695.65211
4385.0000 -91.31243 -88.20370 3.10873 2.12143 -88.12178 654.22549
4390.0000 -91.80763 -88.67418 3.13345 2.09059 -88.47026 621.06260
4395.0000 -91.13296 -87.57913 3.55383 2.16221 -87.66079 727.84073
4400.0000 -89.97925 -86.72058 3.25866 2.23026 -86.89161 771.49471
4405.0000 -91.14906 -87.78434 3.36473 2.17650 -87.49925 718.66685
4410.0000 -91.29726 -88.17077 3.12649 2.11831 -88.15702 644.85336
4415.0000 -90.88779 -87.62449 3.26331 2.14565 -87.84801 699.43943
4420.0000 -90.24462 -86.63038 3.61423 2.23123 -86.88071 777.32980
4425.0000 -91.08274 -87.95859 3.12415 2.23464 -86.84213 778.01596
4430.0000 -91.76547 -87.84088 3.92459 2.13287 -87.99241 692.88830
4435.0000 -91.48722 -87.99602 3.49120 2.09913 -88.37382 690.95833
4440.0000 -92.00985 -88.63091 3.37894 2.06020 -88.81383 624.40847
4445.0000 -92.00706 -88.32441 3.68264 2.03446 -89.10475 609.35893
4450.0000 -91.18669 -87.95144 3.23525 2.12331 -88.10044 647.16848
4455.0000 -91.71771 -88.43714 3.28057 2.12861 -88.04063 669.69786
4460.0000 -90.85953 -87.18158 3.67795 2.13857 -87.92795 715.62446
4465.0000 -90.85323 -87.48682 3.36642 2.19441 -87.29681 743.17733
4470.0000 -91.63762 -87.43109 4.20653 2.17967 -87.46347 690.09307
4475.0000 -91.30763 -87.43056 3.87707 2.15322 -87.76241 697.67475
4480.0000 -91.51365 -88.37548 3.13816 2.12825 -88.04461 648.20772
4485.0000 -90.98054 -87.38142 3.59912 2.20647 -87.16054 732.40712
4490.0000 -91.55739 -88.09697 3.46042 2.17251 -87.54437 702.44343
4495.0000 -91.84001 -88.65180 3.18821 2.09398 -88.43201 661.31445
4500.0000 -91.44331 -88.98914 2.45417 2.07759 -88.61727 617.42797
FREEZING PROCESS: loop number 19 T-loop= 665.00000000000000
main_MD> interactions number 19 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25377 -2.33890 -4.20004
force_rgl> df(natom) 4.10655 2.95727 -0.00455
4505.0000 -91.95354 -88.39374 3.55980 2.06644 -88.74326 632.23926
4510.0000 -91.34047 -87.85026 3.49020 2.07674 -88.62683 609.46629
4515.0000 -90.74114 -88.06807 2.67307 2.10765 -88.27745 637.73067
4520.0000 -91.69739 -88.13677 3.56062 2.13060 -88.01810 671.13079
4525.0000 -91.15232 -88.03531 3.11701 2.12698 -88.05901 696.89079
4530.0000 -90.37497 -87.33801 3.03696 2.14284 -87.87973 710.30080
4535.0000 -91.22311 -87.19610 4.02701 2.18073 -87.45147 699.01107
4540.0000 -91.77733 -88.00897 3.76836 2.16455 -87.63437 675.27618
4545.0000 -91.60842 -88.31012 3.29831 2.08284 -88.55795 626.46992
4550.0000 -91.71984 -88.08426 3.63558 2.09714 -88.39633 666.21875
4555.0000 -91.43661 -87.56560 3.87101 2.18497 -87.40352 719.21835
4560.0000 -89.92275 -87.09638 2.82638 2.20339 -87.19540 667.03019
4565.0000 -91.01283 -86.49580 4.51702 2.23649 -86.82119 738.11198
4570.0000 -90.69034 -87.56042 3.12992 2.24531 -86.72157 748.56718
4575.0000 -90.36833 -87.00769 3.36063 2.17795 -87.48293 702.33441
4580.0000 -91.65965 -87.76211 3.89753 2.18285 -87.42750 706.08683
4585.0000 -91.24366 -86.96799 4.27567 2.18099 -87.44848 724.65976
4590.0000 -90.89576 -87.79375 3.10200 2.14042 -87.90711 657.46774
4595.0000 -91.39627 -88.83331 2.56296 2.09551 -88.41468 639.59545
4600.0000 -91.30982 -88.02632 3.28350 2.09806 -88.38587 629.63002
4605.0000 -90.43189 -87.42165 3.01024 2.12818 -88.04544 670.63592
4610.0000 -90.95791 -87.14952 3.80839 2.15728 -87.71654 720.75184
4615.0000 -90.61370 -86.97108 3.64262 2.17197 -87.55046 719.82945
4620.0000 -92.35700 -89.12129 3.23572 2.15404 -87.75313 705.45784
4625.0000 -90.63818 -87.42382 3.21436 2.09987 -88.36546 670.86704
4630.0000 -91.98358 -88.05571 3.92788 2.15497 -87.74268 708.38295
4635.0000 -91.30062 -88.32234 2.97828 2.19045 -87.34162 708.59638
4640.0000 -90.25135 -87.10119 3.15016 2.14250 -87.88358 659.09289
4645.0000 -90.56994 -87.43223 3.13771 2.18552 -87.39729 703.40340
4650.0000 -90.02797 -86.92976 3.09820 2.22425 -86.95952 692.45453
4655.0000 -90.52183 -87.18641 3.33542 2.22535 -86.94718 734.45648
4660.0000 -91.17543 -87.62778 3.54765 2.20332 -87.19617 735.04439
4665.0000 -90.89550 -87.66578 3.22972 2.20337 -87.19558 698.85011
4670.0000 -90.96050 -87.42769 3.53282 2.19470 -87.29352 707.81308
4675.0000 -90.40533 -86.50522 3.90011 2.24344 -86.74264 806.78366
4680.0000 -89.79163 -86.53473 3.25690 2.24614 -86.71220 731.62115
4685.0000 -90.98182 -88.53094 2.45088 2.14398 -87.86687 667.05854
4690.0000 -91.50200 -87.80190 3.70010 2.14064 -87.90457 690.98043
4695.0000 -91.41805 -87.80743 3.61062 2.10547 -88.30209 651.77475
4700.0000 -90.04045 -86.64350 3.39696 2.19418 -87.29947 701.44053
4705.0000 -92.16201 -88.81661 3.34541 2.16875 -87.58691 715.08921
4710.0000 -91.15530 -87.85819 3.29711 2.09963 -88.36812 663.75633
4715.0000 -92.06735 -88.47408 3.59328 2.12169 -88.11883 666.79065
4720.0000 -91.41148 -88.25050 3.16098 2.13587 -87.95853 671.81153
4725.0000 -91.90127 -88.03770 3.86357 2.09353 -88.43708 634.79147
4730.0000 -91.37254 -88.43442 2.93812 2.10493 -88.30824 661.57046
4735.0000 -90.85815 -87.59652 3.26162 2.15748 -87.71431 701.54678
4740.0000 -91.51165 -88.31888 3.19277 2.12820 -88.04525 661.81098
4745.0000 -92.03221 -88.73779 3.29442 2.08797 -88.49995 655.85465
4750.0000 -91.68668 -88.43310 3.25359 2.06334 -88.77829 617.29042
FREEZING PROCESS: loop number 20 T-loop= 640.00000000000000
main_MD> interactions number 20 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.35808 -0.43729 -0.69316
force_rgl> df(natom) 0.54729 0.90359 2.00235
4755.0000 -92.24323 -88.99363 3.24960 2.10051 -88.35817 634.35214
4760.0000 -91.97658 -88.54317 3.43341 2.05485 -88.87431 592.95544
4765.0000 -91.73032 -88.86051 2.86981 2.09481 -88.42260 639.31814
4770.0000 -91.11137 -88.48882 2.62255 2.09708 -88.39694 627.05963
4775.0000 -91.31367 -88.05188 3.26179 2.11792 -88.16143 636.43579
4780.0000 -91.34878 -87.99713 3.35165 2.15383 -87.75549 672.99401
4785.0000 -91.11168 -88.01580 3.09589 2.11378 -88.20824 673.65975
4790.0000 -91.33580 -88.22703 3.10878 2.11428 -88.20252 638.82383
4795.0000 -91.38844 -88.26301 3.12542 2.10796 -88.27401 653.19451
4800.0000 -90.67897 -88.02266 2.65630 2.17091 -87.56252 718.53533
4805.0000 -90.78839 -88.25310 2.53530 2.10971 -88.25423 657.24590
4810.0000 -91.40736 -87.31023 4.09713 2.17798 -87.48261 692.18365
4815.0000 -91.55713 -88.94433 2.61281 2.12632 -88.06643 663.31401
4820.0000 -91.54326 -89.14029 2.40296 2.05944 -88.82242 605.56866
4825.0000 -92.15708 -89.20581 2.95127 2.04699 -88.96309 608.67417
4830.0000 -90.92906 -87.86207 3.06699 2.10121 -88.35030 653.36934
4835.0000 -91.43978 -88.30484 3.13493 2.17624 -87.50219 729.53178
4840.0000 -90.78793 -86.88855 3.89939 2.15029 -87.79559 698.17924
4845.0000 -91.01588 -87.45939 3.55650 2.16231 -87.65968 654.14200
4850.0000 -90.84509 -88.15082 2.69427 2.13440 -87.97517 657.48951
4855.0000 -92.56336 -89.82705 2.73631 2.06402 -88.77067 610.80718
4860.0000 -92.38543 -88.66191 3.72352 2.02831 -89.17421 570.46202
4865.0000 -91.44913 -88.20522 3.24391 2.09306 -88.44234 652.42140
4870.0000 -91.74582 -89.39725 2.34857 2.05550 -88.86694 632.71959
4875.0000 -92.35150 -89.10700 3.24450 2.04590 -88.97542 623.88061
4880.0000 -91.46577 -87.84536 3.62041 2.11768 -88.16417 659.25737
4885.0000 -91.37170 -87.77615 3.59555 2.14682 -87.83475 671.37835
4890.0000 -91.44985 -87.59403 3.85582 2.17657 -87.49848 704.10600
4895.0000 -91.44004 -87.75616 3.68388 2.16164 -87.66730 679.51712
4900.0000 -91.93392 -88.92650 3.00742 2.08246 -88.56226 642.09068
4905.0000 -92.21655 -88.93035 3.28620 2.04976 -88.93184 600.36538
4910.0000 -91.00365 -87.81308 3.19057 2.09459 -88.42515 662.43550
4915.0000 -91.49025 -87.98509 3.50516 2.12681 -88.06093 678.81595
4920.0000 -91.47604 -88.38631 3.08973 2.11213 -88.22684 639.96746
4925.0000 -92.24953 -89.25772 2.99181 2.06028 -88.81289 649.60973
4930.0000 -92.05505 -88.87654 3.17851 2.05704 -88.84950 641.80281
4935.0000 -91.96954 -88.92797 3.04157 2.00668 -89.41880 572.35552
4940.0000 -91.44083 -88.10649 3.33434 2.09727 -88.39479 658.06604
4945.0000 -91.41824 -88.42069 2.99754 2.08603 -88.52186 641.92568
4950.0000 -91.79511 -88.51699 3.27812 2.11251 -88.22260 671.22462
4955.0000 -91.68157 -88.99662 2.68496 2.10277 -88.33259 652.43869
4960.0000 -91.93984 -89.01596 2.92388 2.05030 -88.92570 623.04820
4965.0000 -91.40892 -88.41422 2.99470 2.06199 -88.79362 630.46856
4970.0000 -91.60420 -88.34745 3.25676 2.08719 -88.50879 629.73453
4975.0000 -91.77057 -88.46288 3.30769 2.11271 -88.22033 635.90289
4980.0000 -91.87282 -89.07156 2.80127 2.05833 -88.83493 601.52707
4985.0000 -91.69365 -88.06290 3.63075 2.11107 -88.23887 687.64800
4990.0000 -91.82505 -88.91945 2.90560 2.07780 -88.61485 631.14040
4995.0000 -91.18309 -88.37333 2.80976 2.07419 -88.65571 604.26493
5000.0000 -90.75170 -87.57384 3.17786 2.14226 -87.88635 690.94354
FREEZING PROCESS: loop number 21 T-loop= 615.00000000000000
main_MD> interactions number 21 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.79904 1.03592 -2.21802
force_rgl> df(natom) 0.68792 0.19947 -0.33898
5005.0000 -91.20321 -88.64604 2.55717 2.14508 -87.85439 657.13478
5010.0000 -92.32047 -89.44357 2.87689 2.06126 -88.80180 611.24330
5015.0000 -91.18410 -88.54695 2.63715 2.07530 -88.64318 661.36767
5020.0000 -91.65245 -88.86942 2.78303 2.08389 -88.54602 618.23143
5025.0000 -92.37161 -89.40490 2.96671 2.05160 -88.91098 584.25764
5030.0000 -92.11045 -89.37235 2.73810 2.01587 -89.31484 590.69339
5035.0000 -91.88681 -88.55393 3.33288 2.05542 -88.86784 598.88692
5040.0000 -91.79056 -88.73542 3.05514 2.05960 -88.82060 626.75159
5045.0000 -91.53830 -88.88335 2.65495 2.13016 -88.02307 653.39393
5050.0000 -92.12284 -88.95630 3.16654 2.05554 -88.86649 608.00114
5055.0000 -92.55628 -89.96611 2.59017 2.00589 -89.42761 570.08131
5060.0000 -92.17859 -89.32385 2.85473 2.00848 -89.39839 583.03439
5065.0000 -91.65163 -89.26575 2.38589 1.97086 -89.82360 550.57034
5070.0000 -92.00959 -89.42463 2.58495 1.99915 -89.50387 571.68048
5075.0000 -91.59642 -88.64371 2.95271 2.04755 -88.95682 599.89430
5080.0000 -92.40129 -89.75489 2.64641 2.04560 -88.97882 596.56570
5085.0000 -91.62448 -89.21788 2.40660 2.01078 -89.37238 571.62147
5090.0000 -91.95609 -88.86405 3.09204 2.03970 -89.04548 630.42714
5095.0000 -91.79955 -89.65619 2.14337 2.01257 -89.35212 570.24854
5100.0000 -92.06211 -89.51616 2.54595 2.00165 -89.47565 571.20712
5105.0000 -91.99303 -88.88174 3.11129 1.99750 -89.52255 560.62706
5110.0000 -91.97317 -89.15236 2.82080 2.05327 -88.89218 611.57528
5115.0000 -92.63659 -89.90910 2.72749 2.00503 -89.43740 583.43140
5120.0000 -91.69309 -88.71194 2.98115 1.99962 -89.49856 580.20793
5125.0000 -91.83733 -89.00977 2.82756 2.06120 -88.80254 625.78977
5130.0000 -91.78013 -88.36399 3.41615 2.06539 -88.75513 599.06300
5135.0000 -92.07588 -87.83686 4.23902 2.13839 -87.93001 680.66100
5140.0000 -91.36882 -87.79019 3.57863 2.13172 -88.00542 661.09349
5145.0000 -91.82617 -89.24215 2.58403 2.11118 -88.23761 672.23124
5150.0000 -91.86663 -88.22693 3.63970 2.09905 -88.37465 637.09557
5155.0000 -91.66417 -88.96679 2.69739 2.06885 -88.71608 604.35135
5160.0000 -91.96694 -88.22312 3.74382 2.07903 -88.60097 641.71209
5165.0000 -92.05911 -88.61134 3.44776 2.05543 -88.86770 634.54254
5170.0000 -91.75358 -89.20347 2.55012 2.03665 -89.08003 579.95399
5175.0000 -91.71433 -88.48582 3.22851 2.07911 -88.60009 622.82282
5180.0000 -91.78850 -89.00853 2.77996 2.03356 -89.11492 587.28289
5185.0000 -92.08158 -88.65350 3.42807 2.03679 -89.07836 597.00382
5190.0000 -91.68437 -88.96652 2.71785 2.07188 -88.68176 629.92064
5195.0000 -91.80066 -88.32510 3.47556 2.09237 -88.45023 616.71916
5200.0000 -91.72947 -88.26848 3.46100 2.10555 -88.30119 612.91574
5205.0000 -92.61315 -89.96759 2.64556 2.04139 -89.02640 596.73735
5210.0000 -92.97092 -89.82411 3.14681 1.93656 -90.21128 511.31203
5215.0000 -91.84145 -88.86791 2.97354 1.99485 -89.55248 587.80162
5220.0000 -90.66636 -88.19613 2.47023 2.09422 -88.42925 650.32196
5225.0000 -91.50885 -88.28969 3.21916 2.09273 -88.44608 642.59174
5230.0000 -92.46697 -89.36244 3.10453 2.03108 -89.14298 593.62832
5235.0000 -91.64250 -88.45871 3.18379 2.05019 -88.92700 611.55037
5240.0000 -92.50458 -89.00791 3.49666 2.05554 -88.86649 617.34503
5245.0000 -91.65695 -89.02848 2.62847 2.03214 -89.13093 595.73602
5250.0000 -92.34816 -89.34230 3.00585 2.04856 -88.94538 600.57684
FREEZING PROCESS: loop number 22 T-loop= 590.00000000000000
main_MD> interactions number 22 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.73149 1.92857 -0.04920
force_rgl> df(natom) 2.07038 -1.59329 1.23353
5255.0000 -92.05622 -88.97391 3.08231 2.02905 -89.16592 606.96387
5260.0000 -92.61336 -89.61363 2.99973 2.02584 -89.20217 597.98541
5265.0000 -92.14218 -88.64271 3.49947 2.02322 -89.23176 633.48438
5270.0000 -91.56286 -88.97569 2.58717 2.02348 -89.22883 580.21751
5275.0000 -91.62189 -88.69195 2.92995 2.04403 -88.99653 585.18401
5280.0000 -91.76400 -88.73746 3.02654 2.07730 -88.62052 628.78402
5285.0000 -91.84497 -89.03047 2.81451 2.04380 -88.99920 584.60888
5290.0000 -91.84465 -88.92673 2.91792 2.05282 -88.89724 611.75099
5295.0000 -92.04944 -89.23548 2.81396 2.05631 -88.85774 567.69219
5300.0000 -91.64638 -89.68235 1.96403 2.03989 -89.04337 602.87130
5305.0000 -91.80533 -89.64618 2.15915 1.95175 -90.03961 509.37150
5310.0000 -92.57802 -89.40272 3.17530 1.99174 -89.58762 552.07770
5315.0000 -91.90282 -89.05321 2.84960 2.05306 -88.89452 601.64333
5320.0000 -92.54728 -89.65573 2.89155 1.96661 -89.87165 523.93796
5325.0000 -92.07856 -88.81485 3.26371 1.97814 -89.74132 557.25918
5330.0000 -91.33876 -88.61350 2.72526 2.09546 -88.41532 618.25392
5335.0000 -91.59852 -88.86580 2.73272 2.09019 -88.47485 591.74002
5340.0000 -91.70852 -89.16524 2.54328 2.04974 -88.93202 596.98853
5345.0000 -92.10576 -89.93960 2.16617 1.99533 -89.54700 530.41420
5350.0000 -92.48238 -89.11723 3.36514 1.98772 -89.63299 561.50192
5355.0000 -92.57970 -89.19586 3.38384 2.01203 -89.35831 586.91858
5360.0000 -92.79447 -89.81295 2.98152 1.97753 -89.74817 532.35176
5365.0000 -91.65494 -88.67234 2.98260 2.01431 -89.33249 578.69141
5370.0000 -92.07374 -88.61865 3.45509 2.06526 -88.75663 623.55126
5375.0000 -92.48471 -89.45495 3.02976 2.05511 -88.87130 609.72635
5380.0000 -91.48513 -89.12823 2.35690 1.95718 -89.97828 534.30031
5385.0000 -92.71768 -89.40064 3.31704 2.05518 -88.87057 615.72987
5390.0000 -91.89509 -88.51030 3.38480 2.05037 -88.92493 627.75627
5395.0000 -92.03203 -88.97639 3.05564 2.01995 -89.26879 560.56667
5400.0000 -91.70910 -89.14632 2.56279 2.07627 -88.63213 595.00329
5405.0000 -92.10926 -89.47095 2.63832 2.06086 -88.80633 589.88651
5410.0000 -92.11523 -89.52305 2.59218 1.99950 -89.49988 562.25007
5415.0000 -91.95985 -89.05483 2.90502 2.00552 -89.43185 541.01459
5420.0000 -92.87595 -89.86646 3.00949 2.02587 -89.20187 591.60836
5425.0000 -92.79610 -89.88907 2.90703 1.96007 -89.94560 528.94070
5430.0000 -92.51850 -89.88674 2.63176 1.94860 -90.07517 519.40096
5435.0000 -92.69544 -90.17709 2.51835 1.94235 -90.14580 528.50455
5440.0000 -92.44810 -89.74032 2.70778 1.96731 -89.86371 537.28129
5445.0000 -92.17634 -89.84575 2.33058 2.00839 -89.39941 577.88542
5450.0000 -91.90851 -89.07612 2.83239 2.01366 -89.33987 576.00631
5455.0000 -92.04465 -89.12857 2.91608 2.01308 -89.34644 563.29314
5460.0000 -91.65701 -89.04271 2.61430 2.00859 -89.39713 570.04827
5465.0000 -91.40037 -88.30965 3.09072 2.06227 -88.79044 642.46849
5470.0000 -92.18446 -89.43288 2.75158 2.02827 -89.17475 581.19956
5475.0000 -91.76006 -88.82859 2.93147 2.04936 -88.93634 591.02048
5480.0000 -91.28282 -88.48161 2.80121 2.09050 -88.47131 621.85612
5485.0000 -92.05854 -89.18315 2.87538 2.04941 -88.93576 605.00206
5490.0000 -92.62015 -89.25859 3.36155 2.04834 -88.94785 611.24612
5495.0000 -92.19571 -89.00639 3.18932 2.05195 -88.90711 616.32705
5500.0000 -92.54093 -89.60005 2.94088 1.99662 -89.53241 550.71352
FREEZING PROCESS: loop number 23 T-loop= 565.00000000000000
main_MD> interactions number 23 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.35604 0.18701 -4.82064
force_rgl> df(natom) 1.17492 -0.58954 0.34651
5505.0000 -91.20167 -88.22521 2.97646 2.03153 -89.13783 582.77509
5510.0000 -92.36337 -88.61407 3.74930 2.10470 -88.31080 644.90752
5515.0000 -91.57355 -88.33099 3.24256 2.06981 -88.70518 637.44334
5520.0000 -91.73645 -89.50722 2.22923 2.03086 -89.14542 560.73375
5525.0000 -91.91454 -89.01707 2.89746 1.99310 -89.57228 528.67385
5530.0000 -92.81080 -90.18505 2.62575 1.98647 -89.64712 536.11278
5535.0000 -91.80943 -89.46930 2.34012 1.99141 -89.59135 553.87532
5540.0000 -91.60481 -89.18293 2.42188 2.00844 -89.39886 534.65640
5545.0000 -92.10920 -89.29141 2.81780 2.00522 -89.43522 532.57105
5550.0000 -91.57490 -88.48110 3.09380 2.07390 -88.65899 588.24414
5555.0000 -92.33770 -89.70986 2.62784 2.07333 -88.66539 605.87355
5560.0000 -92.13337 -89.50713 2.62624 1.96580 -89.88078 505.07659
5565.0000 -91.41247 -89.29729 2.11517 2.01757 -89.29567 592.29566
5570.0000 -92.76364 -90.01030 2.75334 1.95807 -89.96813 502.19586
5575.0000 -92.56081 -88.98911 3.57170 2.00912 -89.39119 541.97875
5580.0000 -92.47647 -89.81854 2.65793 1.99656 -89.53318 585.39218
5585.0000 -92.12968 -89.48872 2.64096 1.96940 -89.84016 538.55170
5590.0000 -92.59398 -90.25424 2.33974 1.93259 -90.25617 505.04393
5595.0000 -93.02190 -91.03657 1.98533 1.93130 -90.27074 508.69221
5600.0000 -92.63953 -89.57957 3.05996 1.95652 -89.98568 512.75418
5605.0000 -92.54798 -90.16639 2.38159 1.97345 -89.79430 527.38823
5610.0000 -92.79973 -90.17375 2.62599 1.95449 -90.00859 553.31948
5615.0000 -92.53093 -89.60660 2.92433 1.95865 -89.96166 554.95140
5620.0000 -92.16307 -89.45909 2.70398 2.02088 -89.25827 585.86338
5625.0000 -92.08728 -89.77329 2.31399 1.98624 -89.64980 568.18432
5630.0000 -92.78929 -89.84552 2.94377 1.95541 -89.99818 544.40180
5635.0000 -92.21054 -89.43573 2.77482 1.99415 -89.56035 597.11534
5640.0000 -92.67762 -89.63667 3.04095 2.01762 -89.29513 589.38765
5645.0000 -92.51852 -89.83238 2.68614 1.97300 -89.79941 559.53027
5650.0000 -92.71437 -90.39862 2.31575 1.96945 -89.83949 577.51110
5655.0000 -93.04117 -89.55569 3.48548 1.96014 -89.94475 547.78595
5660.0000 -92.31134 -89.67737 2.63397 1.98377 -89.67773 540.28067
5665.0000 -91.94505 -89.22898 2.71607 1.99847 -89.51150 560.70476
5670.0000 -92.09385 -89.61934 2.47451 1.98497 -89.66418 556.01437
5675.0000 -91.59725 -88.67455 2.92270 2.01372 -89.33912 574.11362
5680.0000 -92.10859 -89.13067 2.97792 2.02499 -89.21175 579.95003
5685.0000 -92.00871 -89.35731 2.65140 1.98267 -89.69008 548.37950
5690.0000 -91.88834 -89.21225 2.67609 2.05080 -88.92010 619.64683
5695.0000 -91.32918 -89.13932 2.18986 2.01463 -89.32885 583.70146
5700.0000 -92.22779 -88.97620 3.25159 2.03801 -89.06459 589.91087
5705.0000 -92.08193 -89.42405 2.65788 2.02647 -89.19506 587.93134
5710.0000 -92.63588 -89.14637 3.48951 2.01563 -89.31752 587.19091
5715.0000 -91.81707 -88.52287 3.29420 2.07220 -88.67821 628.40062
5720.0000 -91.73620 -89.20765 2.52854 2.03178 -89.13508 575.43390
5725.0000 -92.62279 -89.45053 3.17227 2.03566 -89.09119 604.11529
5730.0000 -92.49790 -89.24438 3.25352 2.04474 -88.98852 623.07572
5735.0000 -91.97024 -89.04494 2.92530 2.03337 -89.11710 579.65579
5740.0000 -91.00257 -88.60498 2.39759 2.09341 -88.43842 629.58840
5745.0000 -92.06069 -89.19785 2.86284 2.07123 -88.68916 608.20965
5750.0000 -91.99485 -89.39786 2.59699 2.02479 -89.21410 581.02322
FREEZING PROCESS: loop number 24 T-loop= 540.00000000000000
main_MD> interactions number 24 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09765 1.51298 1.67009
force_rgl> df(natom) 1.66137 0.63283 -0.67826
5755.0000 -92.11015 -89.79331 2.31684 1.96716 -89.86537 511.86250
5760.0000 -92.86390 -90.29628 2.56762 1.96011 -89.94514 539.29665
5765.0000 -92.82619 -90.01996 2.80623 1.93368 -90.24383 512.08243
5770.0000 -92.64657 -89.41156 3.23501 1.94870 -90.07408 534.63038
5775.0000 -92.74320 -90.08742 2.65578 1.99309 -89.57230 556.14308
5780.0000 -92.71247 -89.98187 2.73060 1.97606 -89.76486 562.39595
5785.0000 -92.98055 -90.29751 2.68304 1.96087 -89.93651 550.15870
5790.0000 -92.48030 -89.31531 3.16499 1.98860 -89.62308 550.81482
5795.0000 -92.18351 -89.77656 2.40695 1.97047 -89.82803 539.96620
5800.0000 -92.25536 -89.45270 2.80266 1.95872 -89.96088 507.74843
5805.0000 -92.56057 -89.77586 2.78471 2.00835 -89.39987 544.87620
5810.0000 -92.42900 -89.97632 2.45269 1.98036 -89.71621 546.73263
5815.0000 -91.83916 -89.48400 2.35516 1.97223 -89.80818 531.37451
5820.0000 -92.28795 -89.44277 2.84518 1.98848 -89.62449 542.90445
5825.0000 -93.60463 -90.74696 2.85766 1.91260 -90.48208 487.78981
5830.0000 -92.92022 -90.08641 2.83381 1.90850 -90.52849 510.04815
5835.0000 -93.24753 -90.68729 2.56024 1.91576 -90.44636 511.63256
5840.0000 -92.86318 -90.63242 2.23076 1.88689 -90.77272 486.17406
5845.0000 -92.66225 -90.08283 2.57943 1.93919 -90.18159 517.11427
5850.0000 -92.58823 -90.25455 2.33369 1.93470 -90.23228 513.58940
5855.0000 -93.08612 -90.05786 3.02826 1.94888 -90.07208 532.45227
5860.0000 -92.31984 -89.71714 2.60271 1.95122 -90.04556 520.64750
5865.0000 -92.19592 -89.13500 3.06092 2.09060 -88.47024 664.50418
5870.0000 -92.44401 -90.04756 2.39645 1.99747 -89.52287 588.68783
5875.0000 -92.57425 -89.94573 2.62852 1.98908 -89.61771 559.12115
5880.0000 -91.47925 -89.33439 2.14485 2.00051 -89.48850 583.01397
5885.0000 -92.82668 -90.21153 2.61516 2.00730 -89.41171 574.17933
5890.0000 -93.11337 -89.88332 3.23006 1.97269 -89.80290 559.17413
5895.0000 -93.05354 -90.78862 2.26491 1.93955 -90.17747 526.73530
5900.0000 -92.57206 -90.21502 2.35704 1.91970 -90.40182 498.11141
5905.0000 -92.30669 -89.47990 2.82679 1.99602 -89.53926 562.70671
5910.0000 -92.53190 -90.27699 2.25491 1.96843 -89.85106 524.13121
5915.0000 -92.37488 -90.15221 2.22267 1.93827 -90.19195 488.59719
5920.0000 -92.43873 -90.02119 2.41754 1.91465 -90.45897 469.24462
5925.0000 -92.07886 -89.05217 3.02669 2.04101 -89.03075 612.10328
5930.0000 -92.10887 -89.50460 2.60426 2.01196 -89.35906 569.93939
5935.0000 -93.00273 -90.38407 2.61867 1.98087 -89.71044 545.12777
5940.0000 -92.62873 -90.16631 2.46242 1.96213 -89.92227 535.21124
5945.0000 -92.53813 -90.10426 2.43387 1.94611 -90.10331 531.08225
5950.0000 -92.81816 -90.36260 2.45556 1.94175 -90.15268 499.99790
5955.0000 -92.07228 -90.37020 1.70208 1.91675 -90.43522 488.90427
5960.0000 -91.88689 -89.00051 2.88639 1.96264 -89.91656 521.66515
5965.0000 -91.53549 -89.01498 2.52050 2.03841 -89.06013 570.07177
5970.0000 -91.45208 -88.84045 2.61163 2.08020 -88.58771 618.99546
5975.0000 -92.10484 -89.05186 3.05298 2.04215 -89.01788 593.30610
5980.0000 -92.41252 -89.85403 2.55849 2.01625 -89.31062 563.10573
5985.0000 -91.83126 -89.41328 2.41799 1.99048 -89.60183 524.87443
5990.0000 -92.64409 -90.21908 2.42501 1.99500 -89.55079 530.51526
5995.0000 -92.97716 -90.70558 2.27158 1.93085 -90.27580 469.84837
6000.0000 -92.26977 -89.62968 2.64009 1.96605 -89.87797 573.40265
FREEZING PROCESS: loop number 25 T-loop= 515.00000000000000
main_MD> interactions number 25 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.69676 1.34808 2.88069
force_rgl> df(natom) -2.10652 2.33447 -1.14768
6005.0000 -92.77219 -90.53312 2.23907 1.93528 -90.22571 533.83703
6010.0000 -92.67992 -90.02508 2.65485 1.93206 -90.26210 514.55445
6015.0000 -92.40281 -89.88166 2.52115 1.95323 -90.02285 505.84220
6020.0000 -92.60032 -90.45747 2.14285 1.95028 -90.05623 492.62090
6025.0000 -91.90020 -89.64933 2.25087 1.93322 -90.24907 480.89568
6030.0000 -92.01075 -88.08041 3.93034 2.02010 -89.26702 603.24770
6035.0000 -92.33206 -89.37288 2.95918 2.06864 -88.71839 652.63023
6040.0000 -92.04677 -89.31810 2.72867 2.02457 -89.21657 562.10036
6045.0000 -92.98057 -90.45407 2.52650 1.98371 -89.67832 518.72193
6050.0000 -93.51013 -91.27278 2.23735 1.85724 -91.10785 446.37601
6055.0000 -92.97221 -90.45467 2.51754 1.84759 -91.21696 442.22609
6060.0000 -92.48529 -89.51138 2.97391 1.95323 -90.02293 531.68817
6065.0000 -92.98568 -90.37561 2.61007 1.96132 -89.93139 531.06636
6070.0000 -93.06084 -90.21404 2.84681 1.94026 -90.16950 520.64374
6075.0000 -93.13034 -89.98077 3.14957 1.97200 -89.81070 542.68950
6080.0000 -93.03361 -90.16159 2.87202 1.94048 -90.16704 508.14250
6085.0000 -92.75668 -90.11547 2.64120 1.95707 -89.97947 532.63475
6090.0000 -93.10139 -90.22477 2.87662 1.91316 -90.47580 514.50519
6095.0000 -91.81350 -89.56076 2.25274 1.97252 -89.80489 557.56632
6100.0000 -91.44454 -89.02927 2.41527 2.00360 -89.45354 554.40017
6105.0000 -92.23797 -89.13472 3.10325 2.05129 -88.91446 590.84400
6110.0000 -92.98134 -90.14119 2.84015 1.97470 -89.78022 575.17434
6115.0000 -92.59085 -90.10869 2.48215 1.93821 -90.19267 516.97729
6120.0000 -93.22143 -90.52899 2.69244 1.94505 -90.11539 537.62627
6125.0000 -93.07285 -90.54693 2.52592 1.90112 -90.61188 503.17960
6130.0000 -92.87679 -90.75734 2.11945 1.92228 -90.37268 531.33523
6135.0000 -92.72613 -90.26043 2.46570 1.90236 -90.59784 502.23431
6140.0000 -93.06752 -90.84160 2.22592 1.88502 -90.79382 472.48757
6145.0000 -92.54369 -89.96184 2.58186 1.90048 -90.61916 474.65961
6150.0000 -92.38472 -90.01150 2.37322 1.94328 -90.13531 528.95009
6155.0000 -92.32705 -89.39393 2.93313 1.99119 -89.59386 584.59450
6160.0000 -92.80816 -90.02606 2.78210 1.96001 -89.94622 564.51869
6165.0000 -93.12207 -90.81287 2.30921 1.93944 -90.17879 538.00701
6170.0000 -92.91816 -90.46594 2.45222 1.88037 -90.84636 454.83159
6175.0000 -92.21810 -89.70601 2.51210 1.94342 -90.13376 537.96244
6180.0000 -91.76932 -89.92914 1.84018 1.96648 -89.87311 546.37625
6185.0000 -93.08685 -91.05224 2.03461 1.93109 -90.27308 485.99868
6190.0000 -92.16774 -89.55933 2.60842 1.91024 -90.50881 455.76492
6195.0000 -93.31015 -91.03702 2.27312 1.90402 -90.57909 457.84804
6200.0000 -93.21681 -90.57047 2.64634 1.90402 -90.57904 467.32859
6205.0000 -93.32477 -91.00209 2.32268 1.88832 -90.75660 465.33647
6210.0000 -93.55932 -91.02944 2.52988 1.85743 -91.10569 456.81620
6215.0000 -93.66563 -91.23667 2.42896 1.88340 -90.81219 492.70898
6220.0000 -92.95298 -90.62173 2.33125 1.90145 -90.60817 486.19814
6225.0000 -92.66090 -90.05743 2.60347 1.92626 -90.32767 490.08884
6230.0000 -92.93237 -90.68189 2.25048 1.94768 -90.08560 498.00441
6235.0000 -93.24090 -90.53121 2.70969 1.90550 -90.56234 480.04744
6240.0000 -92.98199 -90.44757 2.53442 1.93717 -90.20435 499.84134
6245.0000 -93.24332 -90.89411 2.34921 1.90767 -90.53785 495.09590
6250.0000 -93.50903 -91.22371 2.28533 1.85613 -91.12035 442.61020
FREEZING PROCESS: loop number 26 T-loop= 490.00000000000000
main_MD> interactions number 26 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.78453 -2.80410 2.82512
force_rgl> df(natom) 1.71058 -0.47309 1.04814
6255.0000 -92.70720 -90.91477 1.79243 1.85964 -91.08071 455.87714
6260.0000 -92.78703 -90.54586 2.24117 1.88868 -90.75248 471.66394
6265.0000 -93.23812 -90.95269 2.28543 1.90291 -90.59164 496.59254
6270.0000 -92.73040 -90.37691 2.35349 1.89955 -90.62962 476.26107
6275.0000 -92.46182 -90.49951 1.96231 1.94162 -90.15412 526.73490
6280.0000 -92.58492 -90.51838 2.06654 1.92975 -90.28826 498.56592
6285.0000 -92.34284 -90.13787 2.20497 1.93517 -90.22699 496.39476
6290.0000 -93.16621 -89.66985 3.49637 1.94981 -90.06150 526.72844
6295.0000 -92.82066 -90.55961 2.26106 1.92972 -90.28866 501.15856
6300.0000 -92.48338 -90.27739 2.20599 1.90645 -90.55166 496.57207
6305.0000 -93.37328 -91.21975 2.15353 1.88183 -90.82988 481.08468
6310.0000 -93.20993 -90.39099 2.81894 1.89656 -90.66337 501.30023
6315.0000 -93.31991 -90.34407 2.97583 1.93062 -90.27841 516.47849
6320.0000 -93.15685 -90.52347 2.63338 1.93187 -90.26434 518.44494
6325.0000 -93.04356 -90.93978 2.10378 1.90707 -90.54464 501.34022
6330.0000 -93.14628 -90.41308 2.73319 1.87180 -90.94332 472.29641
6335.0000 -93.62461 -90.94412 2.68049 1.90843 -90.52920 501.07627
6340.0000 -93.29141 -91.02802 2.26340 1.88755 -90.76523 477.43545
6345.0000 -93.67245 -91.12788 2.54457 1.86173 -91.05707 452.05624
6350.0000 -92.80528 -90.47801 2.32727 1.88671 -90.77477 478.20398
6355.0000 -93.32537 -91.25095 2.07441 1.86717 -90.99558 464.52840
6360.0000 -92.70588 -90.62920 2.07668 1.85787 -91.10076 440.66497
6365.0000 -92.98195 -90.92118 2.06077 1.88413 -90.80391 463.03892
6370.0000 -92.99170 -90.83650 2.15520 1.90535 -90.56401 488.37344
6375.0000 -92.82034 -90.51100 2.30934 1.87738 -90.88018 445.81483
6380.0000 -92.62386 -90.87876 1.74510 1.88716 -90.76971 493.32642
6385.0000 -92.87588 -90.18042 2.69546 1.90450 -90.57368 509.65905
6390.0000 -93.22232 -90.53161 2.69071 1.94723 -90.09068 528.85198
6395.0000 -93.13621 -91.34776 1.78844 1.86298 -91.04301 455.64270
6400.0000 -93.61968 -91.74519 1.87449 1.82474 -91.47522 416.94209
6405.0000 -93.19999 -91.00181 2.19818 1.83705 -91.33605 430.71550
6410.0000 -93.35191 -91.08657 2.26534 1.82749 -91.44406 432.68394
6415.0000 -93.26739 -91.17185 2.09555 1.84530 -91.24278 447.13496
6420.0000 -93.08320 -90.83757 2.24563 1.86496 -91.02053 450.09180
6425.0000 -93.05100 -90.59300 2.45800 1.87878 -90.86443 459.84162
6430.0000 -93.39031 -91.11626 2.27404 1.88773 -90.76326 466.91638
6435.0000 -93.07954 -90.64489 2.43466 1.90266 -90.59441 492.29677
6440.0000 -93.16573 -91.03424 2.13149 1.87671 -90.88776 479.08433
6445.0000 -93.24597 -91.50149 1.74448 1.83074 -91.40742 421.72667
6450.0000 -93.37751 -91.42172 1.95580 1.85218 -91.16503 440.41008
6455.0000 -92.94097 -90.78246 2.15852 1.86195 -91.05461 445.20353
6460.0000 -92.89763 -90.47543 2.42220 1.89233 -90.71125 476.89596
6465.0000 -92.56068 -89.78739 2.77329 1.92714 -90.31781 515.21850
6470.0000 -92.79990 -90.41169 2.38821 1.97422 -89.78565 508.93482
6475.0000 -92.07635 -90.14397 1.93238 1.93148 -90.26870 465.48789
6480.0000 -92.43334 -90.21063 2.22271 1.93501 -90.22886 495.89707
6485.0000 -92.99772 -90.52997 2.46775 1.92433 -90.34955 500.84778
6490.0000 -92.77534 -90.80511 1.97023 1.90639 -90.55226 472.82477
6495.0000 -93.52323 -91.15975 2.36347 1.88591 -90.78373 468.11288
6500.0000 -93.30827 -90.96375 2.34452 1.86718 -90.99544 466.40435
FREEZING PROCESS: loop number 27 T-loop= 465.00000000000000
main_MD> interactions number 27 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51820 0.95108 -0.40811
force_rgl> df(natom) 1.25295 -1.68113 2.06199
6505.0000 -92.96080 -90.42498 2.53582 1.88038 -90.84628 481.95378
6510.0000 -92.00217 -89.41326 2.58891 1.95908 -89.95673 522.50570
6515.0000 -92.53272 -90.05125 2.48147 1.97910 -89.73049 547.70689
6520.0000 -93.08808 -90.75930 2.32878 1.87037 -90.95945 434.93050
6525.0000 -93.10976 -90.92572 2.18404 1.85777 -91.10180 431.16169
6530.0000 -93.13063 -90.59741 2.53322 1.88327 -90.81367 474.62843
6535.0000 -93.62576 -91.69608 1.92967 1.83818 -91.32322 434.78490
6540.0000 -93.71884 -91.48683 2.23201 1.84433 -91.25376 444.65885
6545.0000 -93.41047 -91.07037 2.34011 1.86093 -91.06609 458.88880
6550.0000 -93.30221 -90.95732 2.34489 1.85926 -91.08503 447.36094
6555.0000 -92.87975 -91.20138 1.67837 1.89645 -90.66471 465.52088
6560.0000 -93.16454 -90.81436 2.35018 1.86533 -91.01644 454.09130
6565.0000 -93.35232 -90.57381 2.77851 1.89977 -90.62718 508.84422
6570.0000 -93.50419 -90.75640 2.74779 1.88885 -90.75053 500.85704
6575.0000 -93.52666 -91.66467 1.86199 1.87871 -90.86514 477.33669
6580.0000 -93.18439 -91.13891 2.04548 1.81620 -91.57173 404.56218
6585.0000 -93.21643 -91.08159 2.13484 1.85276 -91.15848 437.77992
6590.0000 -92.89224 -90.83676 2.05548 1.87311 -90.92850 471.20568
6595.0000 -93.38076 -91.29120 2.08956 1.85456 -91.13809 438.34503
6600.0000 -93.46966 -91.04656 2.42310 1.87646 -90.89056 458.03249
6605.0000 -92.90722 -90.78238 2.12483 1.88368 -90.80897 455.52571
6610.0000 -93.71958 -91.27622 2.44337 1.87843 -90.86837 457.98910
6615.0000 -93.80317 -91.78622 2.01695 1.83811 -91.32409 423.55819
6620.0000 -93.73485 -91.94997 1.78488 1.80201 -91.73206 394.02124
6625.0000 -93.42883 -91.35244 2.07639 1.79734 -91.78486 390.16070
6630.0000 -93.01711 -90.63627 2.38085 1.85400 -91.14444 440.25424
6635.0000 -93.77397 -91.74233 2.03164 1.86428 -91.02831 466.91327
6640.0000 -93.30843 -91.16308 2.14536 1.81139 -91.62605 402.59119
6645.0000 -92.98208 -90.31548 2.66660 1.89940 -90.63132 486.50856
6650.0000 -93.60687 -91.31147 2.29540 1.87640 -90.89127 464.86773
6655.0000 -93.24440 -90.80807 2.43632 1.85390 -91.14559 428.31775
6660.0000 -92.78304 -90.33151 2.45153 1.91654 -90.43755 487.64466
6665.0000 -92.97447 -90.80316 2.17131 1.87574 -90.89878 456.76885
6670.0000 -93.16475 -90.38665 2.77810 1.88391 -90.80638 465.12183
6675.0000 -93.14772 -90.91035 2.23737 1.89101 -90.72609 475.15799
6680.0000 -93.12359 -90.62184 2.50176 1.87953 -90.85594 475.19326
6685.0000 -93.42509 -90.66160 2.76349 1.88506 -90.79338 473.59617
6690.0000 -93.35616 -91.08933 2.26683 1.87279 -90.93208 474.80976
6695.0000 -92.28056 -90.05083 2.22973 1.90847 -90.52883 502.99399
6700.0000 -93.16963 -90.26820 2.90143 1.93800 -90.19501 521.45876
6705.0000 -93.01248 -90.82987 2.18261 1.89122 -90.72380 469.02262
6710.0000 -92.98594 -91.10188 1.88406 1.83910 -91.31290 415.59123
6715.0000 -93.14162 -90.88345 2.25817 1.89570 -90.67316 465.99340
6720.0000 -93.17223 -91.22614 1.94609 1.87063 -90.95645 426.53177
6725.0000 -93.21780 -90.42222 2.79558 1.86767 -90.98996 451.26671
6730.0000 -93.14125 -90.55745 2.58380 1.93274 -90.25452 521.38090
6735.0000 -92.85775 -90.72956 2.12819 1.90458 -90.57277 479.18202
6740.0000 -92.43025 -90.24055 2.18970 1.89473 -90.68408 468.78217
6745.0000 -92.39754 -89.85432 2.54322 1.91783 -90.42304 471.21384
6750.0000 -92.85475 -89.96539 2.88936 1.97573 -89.76856 531.37015
FREEZING PROCESS: loop number 28 T-loop= 440.00000000000000
main_MD> interactions number 28 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.78899 1.42314 1.80866
force_rgl> df(natom) -1.25752 -0.73340 3.76958
6755.0000 -93.28838 -90.91544 2.37294 1.87784 -90.87502 449.88098
6760.0000 -93.34450 -91.35499 1.98952 1.86401 -91.03132 449.74590
6765.0000 -93.10034 -90.87323 2.22711 1.87981 -90.85276 472.38855
6770.0000 -93.44442 -91.48462 1.95980 1.87595 -90.89641 457.58057
6775.0000 -92.92022 -90.50877 2.41145 1.89308 -90.70271 498.34018
6780.0000 -93.20295 -91.37054 1.83241 1.87142 -90.94753 458.84245
6785.0000 -93.49578 -91.23016 2.26562 1.88020 -90.84833 470.35667
6790.0000 -93.52854 -91.49291 2.03563 1.82276 -91.49758 398.63483
6795.0000 -92.95526 -90.88084 2.07442 1.85788 -91.10055 427.58881
6800.0000 -93.25005 -91.23363 2.01643 1.89268 -90.70727 460.30057
6805.0000 -93.62624 -91.42354 2.20269 1.84284 -91.27057 449.66190
6810.0000 -93.71173 -91.81317 1.89855 1.84225 -91.27731 460.72973
6815.0000 -93.49018 -91.54339 1.94679 1.81571 -91.57721 423.99785
6820.0000 -93.73322 -91.73745 1.99576 1.79749 -91.78321 402.75752
6825.0000 -93.29600 -90.96191 2.33410 1.84336 -91.26472 423.29727
6830.0000 -93.09900 -90.62243 2.47657 1.89562 -90.67400 461.45356
6835.0000 -93.54087 -91.23127 2.30960 1.85380 -91.14677 425.59826
6840.0000 -93.66958 -91.63203 2.03755 1.84504 -91.24575 427.22219
6845.0000 -93.36347 -91.29068 2.07279 1.79993 -91.75561 376.91179
6850.0000 -93.87220 -91.38631 2.48589 1.85058 -91.18312 446.70358
6855.0000 -93.77994 -91.48012 2.29982 1.82448 -91.47808 419.13088
6860.0000 -94.11653 -91.95450 2.16203 1.79923 -91.76350 397.51695
6865.0000 -93.27015 -91.05395 2.21620 1.82707 -91.44886 424.20426
6870.0000 -92.90027 -90.84147 2.05881 1.87955 -90.85564 464.73136
6875.0000 -93.03275 -90.59600 2.43675 1.92493 -90.34278 501.27238
6880.0000 -93.01647 -90.77348 2.24299 1.88480 -90.79634 474.18013
6885.0000 -93.11942 -90.99180 2.12763 1.86759 -90.99086 431.03835
6890.0000 -92.79702 -90.50618 2.29084 1.92964 -90.28953 515.58333
6895.0000 -93.04240 -90.55545 2.48695 1.90662 -90.54971 500.48585
6900.0000 -92.79860 -90.72066 2.07794 1.91104 -90.49971 496.36147
6905.0000 -92.82714 -90.75784 2.06930 1.88489 -90.79530 459.34627
6910.0000 -93.41709 -91.49956 1.91753 1.86648 -91.00341 431.67011
6915.0000 -93.33963 -91.07016 2.26948 1.83433 -91.36676 422.82663
6920.0000 -93.09098 -90.78984 2.30113 1.89917 -90.63394 496.75799
6925.0000 -93.11354 -90.97997 2.13358 1.90061 -90.61767 495.01791
6930.0000 -92.98449 -91.23826 1.74623 1.84528 -91.24307 438.19528
6935.0000 -93.48555 -90.76392 2.72164 1.87099 -90.95240 452.78653
6940.0000 -93.48751 -91.38823 2.09927 1.84773 -91.21535 442.74220
6945.0000 -93.64091 -91.37014 2.27077 1.83730 -91.33317 430.65224
6950.0000 -93.11530 -91.34490 1.77040 1.82331 -91.49139 368.88944
6955.0000 -93.14031 -90.89960 2.24071 1.86368 -91.03510 424.50610
6960.0000 -93.00260 -90.49109 2.51150 1.90984 -90.51336 460.18939
6965.0000 -93.01027 -90.04990 2.96038 1.92110 -90.38606 492.72676
6970.0000 -92.81720 -90.68444 2.13276 1.91540 -90.45045 464.57270
6975.0000 -92.36028 -90.58470 1.77557 1.92102 -90.38691 459.81322
6980.0000 -93.67289 -91.31336 2.35953 1.87035 -90.95971 441.78535
6985.0000 -93.08540 -91.32323 1.76217 1.84291 -91.26983 428.21955
6990.0000 -93.36127 -91.53677 1.82450 1.84111 -91.29016 433.45097
6995.0000 -93.66559 -91.44579 2.21980 1.85269 -91.15922 430.76629
7000.0000 -93.23970 -90.85460 2.38510 1.85264 -91.15978 431.50208
FREEZING PROCESS: loop number 29 T-loop= 415.00000000000000
main_MD> interactions number 29 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.23186 1.07477 -1.07630
force_rgl> df(natom) 0.27074 0.24479 -2.27502
7005.0000 -93.71297 -91.32519 2.38778 1.85322 -91.15330 446.15844
7010.0000 -92.92854 -90.75280 2.17574 1.86581 -91.01098 455.00470
7015.0000 -93.11712 -91.14629 1.97083 1.86821 -90.98381 430.50109
7020.0000 -93.14818 -91.26229 1.88589 1.85531 -91.12965 422.39478
7025.0000 -92.87603 -90.87161 2.00443 1.85142 -91.17364 394.06549
7030.0000 -93.05672 -91.03283 2.02389 1.88217 -90.82606 419.10303
7035.0000 -93.56509 -91.23347 2.33162 1.87317 -90.92784 457.25618
7040.0000 -92.91322 -91.13690 1.77632 1.85566 -91.12574 447.97842
7045.0000 -93.68795 -91.53520 2.15275 1.82670 -91.45307 404.31912
7050.0000 -93.72871 -92.05654 1.67217 1.81310 -91.60674 411.83010
7055.0000 -93.12058 -91.48453 1.63606 1.81452 -91.59071 389.32681
7060.0000 -93.10858 -91.49989 1.60870 1.84445 -91.25240 395.69563
7065.0000 -92.95506 -90.76035 2.19472 1.84857 -91.20580 414.42038
7070.0000 -93.33914 -91.46744 1.87170 1.84312 -91.26747 418.68275
7075.0000 -93.54974 -91.75408 1.79566 1.80549 -91.69273 379.21350
7080.0000 -93.63557 -91.28651 2.34905 1.80107 -91.74275 373.33009
7085.0000 -93.48002 -91.50951 1.97051 1.82147 -91.51215 383.78262
7090.0000 -93.61034 -91.55565 2.05468 1.82883 -91.42894 406.12131
7095.0000 -93.25144 -91.16083 2.09061 1.85216 -91.16531 419.38215
7100.0000 -93.64215 -91.32713 2.31502 1.81927 -91.53707 401.71865
7105.0000 -93.26973 -91.27184 1.99789 1.82563 -91.46513 408.47041
7110.0000 -93.48799 -91.69002 1.79797 1.81311 -91.60658 392.18254
7115.0000 -93.73531 -91.49229 2.24302 1.80598 -91.68724 370.07621
7120.0000 -93.35144 -91.34778 2.00366 1.84789 -91.21355 428.14573
7125.0000 -93.49086 -91.27734 2.21352 1.83712 -91.33531 447.48876
7130.0000 -93.58516 -91.15091 2.43425 1.83932 -91.31035 429.69646
7135.0000 -93.71204 -91.51000 2.20203 1.83255 -91.38687 414.86053
7140.0000 -93.43827 -91.33008 2.10819 1.82804 -91.43792 385.03764
7145.0000 -93.76134 -91.45984 2.30150 1.83949 -91.30845 399.32653
7150.0000 -93.29118 -91.06508 2.22610 1.85637 -91.11767 422.54262
7155.0000 -93.42471 -91.11659 2.30812 1.82401 -91.48343 390.69506
7160.0000 -92.94176 -90.14903 2.79274 1.91175 -90.49175 472.20216
7165.0000 -93.11440 -90.61890 2.49550 1.88893 -90.74964 454.62971
7170.0000 -93.40246 -91.01151 2.39095 1.87981 -90.85276 464.99975
7175.0000 -93.36695 -91.17616 2.19079 1.86368 -91.03502 449.29392
7180.0000 -93.47989 -91.57751 1.90238 1.82595 -91.46151 417.24425
7185.0000 -93.50588 -91.28175 2.22413 1.84195 -91.28070 430.12206
7190.0000 -93.25651 -91.00836 2.24815 1.85892 -91.08882 438.46075
7195.0000 -93.59253 -91.34199 2.25054 1.84101 -91.29125 433.32920
7200.0000 -93.25617 -91.40656 1.84961 1.84320 -91.26658 438.20607
7205.0000 -93.67647 -91.80327 1.87320 1.82486 -91.47378 435.48870
7210.0000 -93.40370 -91.58320 1.82050 1.80738 -91.67146 382.86457
7215.0000 -93.69246 -91.61785 2.07462 1.81453 -91.59063 398.19987
7220.0000 -94.05863 -92.42114 1.63749 1.78110 -91.96839 392.51191
7225.0000 -93.61784 -91.67919 1.93865 1.80449 -91.70406 412.76799
7230.0000 -93.74082 -91.31553 2.42530 1.82547 -91.46695 435.15282
7235.0000 -93.63382 -92.04811 1.58571 1.80557 -91.69187 395.28884
7240.0000 -93.15791 -91.45707 1.70085 1.81226 -91.61624 415.15708
7245.0000 -92.93535 -90.73846 2.19689 1.86327 -91.03973 445.15929
7250.0000 -92.73433 -90.85170 1.88263 1.87830 -90.86976 456.26304
FREEZING PROCESS: loop number 30 T-loop= 390.00000000000000
main_MD> interactions number 30 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.14186 -3.65872 -2.41405
force_rgl> df(natom) -0.85133 1.34326 -1.04028
7255.0000 -93.75612 -91.80010 1.95602 1.85387 -91.14594 429.64869
7260.0000 -93.41063 -92.20938 1.20125 1.78814 -91.88889 372.89371
7265.0000 -93.91759 -92.08827 1.82932 1.74416 -92.38601 325.81530
7270.0000 -94.02001 -92.00252 2.01749 1.79213 -91.84382 368.69588
7275.0000 -93.66919 -91.40944 2.25975 1.80314 -91.71930 387.99883
7280.0000 -93.47385 -91.56986 1.90399 1.81998 -91.52897 402.73246
7285.0000 -93.93196 -91.50980 2.42217 1.82443 -91.47869 419.10304
7290.0000 -93.70800 -91.40350 2.30450 1.83483 -91.36109 427.89300
7295.0000 -93.86390 -92.06240 1.80150 1.79924 -91.76341 382.22597
7300.0000 -93.75653 -91.93381 1.82273 1.75667 -92.24452 338.36092
7305.0000 -94.17675 -92.26820 1.90856 1.76306 -92.17237 357.56024
7310.0000 -94.28850 -92.71866 1.56984 1.75233 -92.29366 347.90259
7315.0000 -94.20348 -92.38387 1.81961 1.74537 -92.37233 336.58026
7320.0000 -93.69176 -91.41057 2.28118 1.79524 -91.80863 385.95551
7325.0000 -93.42677 -91.56322 1.86355 1.82180 -91.50841 415.96878
7330.0000 -93.14649 -91.34057 1.80592 1.82954 -91.42090 427.25600
7335.0000 -93.87919 -92.04898 1.83021 1.80408 -91.70867 405.11872
7340.0000 -93.55576 -91.62321 1.93254 1.80772 -91.66757 405.70267
7345.0000 -93.56589 -91.55722 2.00867 1.84158 -91.28489 440.37276
7350.0000 -92.97034 -91.26903 1.70130 1.83980 -91.30496 449.13590
7355.0000 -93.67259 -91.59155 2.08104 1.85635 -91.11794 434.36004
7360.0000 -93.42464 -91.85151 1.57313 1.79778 -91.77992 400.88473
7365.0000 -93.33255 -91.51338 1.81917 1.78975 -91.87063 384.58849
7370.0000 -93.60366 -91.45605 2.14761 1.82571 -91.46421 405.34401
7375.0000 -93.60614 -91.62280 1.98333 1.79902 -91.76587 374.52322
7380.0000 -93.50336 -91.41450 2.08886 1.81146 -91.62529 378.68157
7385.0000 -93.52334 -91.60613 1.91721 1.81875 -91.54283 375.43885
7390.0000 -93.34197 -91.65564 1.68634 1.80589 -91.68822 367.12909
7395.0000 -93.08958 -91.13468 1.95490 1.84371 -91.26077 416.68570
7400.0000 -93.46107 -90.80275 2.65832 1.87283 -90.93159 438.04037
7405.0000 -93.38046 -90.95613 2.42433 1.86374 -91.03438 419.53446
7410.0000 -93.31088 -91.28335 2.02753 1.86636 -91.00473 436.97571
7415.0000 -93.45460 -91.84252 1.61208 1.80379 -91.71201 375.13856
7420.0000 -93.41689 -91.03110 2.38579 1.81305 -91.60734 384.67726
7425.0000 -93.39764 -91.37490 2.02274 1.84292 -91.26970 419.38452
7430.0000 -93.61007 -91.88693 1.72313 1.79958 -91.75959 377.87232
7435.0000 -93.19929 -91.35080 1.84849 1.82487 -91.47367 410.23455
7440.0000 -93.00268 -90.90271 2.09997 1.86296 -91.04315 446.10949
7445.0000 -92.95504 -90.40568 2.54936 1.90640 -90.55224 477.28589
7450.0000 -93.20245 -91.06387 2.13858 1.88933 -90.74518 496.80631
7455.0000 -93.18520 -91.25505 1.93015 1.86610 -91.00765 457.33909
7460.0000 -93.85893 -91.78258 2.07635 1.78410 -91.93458 379.01426
7465.0000 -94.05215 -92.28596 1.76619 1.75634 -92.24828 361.55486
7470.0000 -93.88846 -92.27840 1.61005 1.74683 -92.35576 345.57911
7475.0000 -93.39754 -91.33435 2.06319 1.79128 -91.85333 368.72281
7480.0000 -93.12957 -91.32931 1.80026 1.83901 -91.31390 428.22577
7485.0000 -93.55187 -91.75837 1.79350 1.79786 -91.77903 399.31567
7490.0000 -93.15315 -91.18680 1.96636 1.84073 -91.29444 427.81294
7495.0000 -93.55893 -91.57198 1.98695 1.82193 -91.50700 415.98384
7500.0000 -93.59314 -91.72893 1.86421 1.80275 -91.72375 395.94666
FREEZING PROCESS: loop number 31 T-loop= 365.00000000000000
main_MD> interactions number 31 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25740 0.97275 -0.71881
force_rgl> df(natom) 1.49770 0.67438 1.01696
7505.0000 -93.96203 -91.92088 2.04115 1.79531 -91.80780 386.36046
7510.0000 -93.70913 -92.03804 1.67110 1.79074 -91.85949 373.47158
7515.0000 -94.12606 -92.28406 1.84199 1.79423 -91.82002 392.62082
7520.0000 -94.11577 -92.36299 1.75278 1.76604 -92.13869 355.44740
7525.0000 -94.17205 -92.66651 1.50554 1.73001 -92.54596 325.86757
7530.0000 -93.91749 -91.87261 2.04489 1.74991 -92.32101 343.91965
7535.0000 -93.87200 -92.38438 1.48762 1.77148 -92.07723 361.35266
7540.0000 -93.67728 -91.66201 2.01527 1.79246 -91.84001 379.85833
7545.0000 -93.83936 -91.84347 1.99589 1.82639 -91.45653 419.45902
7550.0000 -93.30757 -91.42230 1.88526 1.81947 -91.53474 387.90536
7555.0000 -93.41338 -91.73415 1.67924 1.81064 -91.63455 378.91892
7560.0000 -93.60916 -91.27590 2.33326 1.83293 -91.38259 414.45985
7565.0000 -93.53062 -91.60947 1.92114 1.82335 -91.49093 409.33721
7570.0000 -93.35707 -91.77904 1.57803 1.80416 -91.70779 379.79564
7575.0000 -93.68058 -91.81591 1.86467 1.77741 -92.01013 344.90989
7580.0000 -93.71647 -91.81242 1.90405 1.80330 -91.71751 371.83879
7585.0000 -93.89257 -92.00319 1.88938 1.78128 -91.96635 362.48090
7590.0000 -93.82174 -92.16403 1.65771 1.78046 -91.97570 358.91070
7595.0000 -93.98618 -92.32564 1.66055 1.76754 -92.12169 356.77511
7600.0000 -93.87641 -92.31430 1.56211 1.77142 -92.07788 362.20587
7605.0000 -93.45256 -91.82318 1.62938 1.78502 -91.92414 368.19714
7610.0000 -93.69285 -91.72665 1.96621 1.78352 -91.94104 378.48339
7615.0000 -93.80139 -92.05449 1.74690 1.78860 -91.88366 386.65193
7620.0000 -93.23394 -91.36762 1.86631 1.82372 -91.48672 404.23294
7625.0000 -93.73154 -92.04187 1.68967 1.80110 -91.74235 374.96545
7630.0000 -94.14578 -92.57403 1.57175 1.76471 -92.15373 343.90227
7635.0000 -93.91645 -92.05852 1.85792 1.74357 -92.39261 350.61769
7640.0000 -93.84780 -91.98382 1.86398 1.76056 -92.20061 355.95962
7645.0000 -94.16257 -92.46278 1.69979 1.75453 -92.26877 348.76688
7650.0000 -93.90212 -92.35256 1.54956 1.75459 -92.26812 360.03659
7655.0000 -93.87950 -92.35443 1.52507 1.73533 -92.48578 330.68284
7660.0000 -93.85220 -92.36890 1.48331 1.72573 -92.59424 331.38326
7665.0000 -93.78123 -91.92510 1.85613 1.75875 -92.22106 364.36825
7670.0000 -93.64005 -92.05653 1.58352 1.78171 -91.96154 369.39838
7675.0000 -94.09139 -91.90387 2.18752 1.78973 -91.87092 379.76203
7680.0000 -93.90141 -92.10660 1.79482 1.76201 -92.18427 364.26753
7685.0000 -93.97048 -91.84162 2.12887 1.79283 -91.83585 397.71658
7690.0000 -93.34488 -91.37158 1.97331 1.80034 -91.75101 409.39317
7695.0000 -93.54506 -91.70784 1.83721 1.80215 -91.73048 410.81020
7700.0000 -94.19187 -92.21592 1.97595 1.78179 -91.96065 397.05446
7705.0000 -93.95636 -91.89817 2.05819 1.75421 -92.27240 357.17204
7710.0000 -94.18046 -92.67858 1.50188 1.72711 -92.57873 320.51913
7715.0000 -93.92258 -92.65674 1.26584 1.72838 -92.56434 327.05914
7720.0000 -93.72556 -91.95425 1.77132 1.75559 -92.25673 350.91704
7725.0000 -93.58323 -91.68292 1.90031 1.77995 -91.98142 366.37644
7730.0000 -93.29052 -91.28761 2.00291 1.80338 -91.71665 380.65201
7735.0000 -92.97940 -91.50160 1.47780 1.83779 -91.32769 418.52017
7740.0000 -93.27884 -91.59273 1.68611 1.83109 -91.40341 417.43504
7745.0000 -93.24499 -91.30689 1.93811 1.80086 -91.74510 381.08422
7750.0000 -93.49767 -91.79823 1.69944 1.80601 -91.68693 356.96769
FREEZING PROCESS: loop number 32 T-loop= 340.00000000000000
main_MD> interactions number 32 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30345 -1.26393 2.59131
force_rgl> df(natom) -0.43550 -1.41829 0.00058
7755.0000 -93.41575 -91.41670 1.99906 1.83738 -91.33231 399.91186
7760.0000 -93.44154 -91.49822 1.94332 1.80055 -91.74865 360.18094
7765.0000 -93.62673 -92.39832 1.22842 1.77569 -92.02957 346.44890
7770.0000 -93.63505 -92.05091 1.58414 1.75600 -92.25218 332.73356
7775.0000 -93.59479 -92.00350 1.59129 1.78747 -91.89640 382.13873
7780.0000 -94.18099 -92.13691 2.04408 1.78144 -91.96460 370.19072
7785.0000 -94.14119 -92.16895 1.97225 1.74990 -92.32115 348.54034
7790.0000 -94.34786 -92.70496 1.64289 1.75395 -92.27536 349.89996
7795.0000 -94.19459 -92.28331 1.91129 1.71873 -92.67345 311.22327
7800.0000 -93.91095 -92.44627 1.46469 1.75411 -92.27350 355.30197
7805.0000 -94.01289 -92.16804 1.84485 1.74006 -92.43234 344.81013
7810.0000 -93.94358 -92.26913 1.67445 1.73846 -92.45042 346.59533
7815.0000 -94.07117 -92.23559 1.83558 1.73487 -92.49092 341.69235
7820.0000 -94.01862 -92.61418 1.40444 1.72205 -92.63589 314.81147
7825.0000 -93.85892 -92.09895 1.75996 1.75344 -92.28110 332.61813
7830.0000 -93.96060 -91.92863 2.03197 1.77725 -92.01200 370.63508
7835.0000 -94.38310 -92.48373 1.89936 1.75556 -92.25713 349.65512
7840.0000 -94.37949 -92.68518 1.69431 1.72346 -92.61995 326.96332
7845.0000 -93.93323 -92.40304 1.53019 1.74492 -92.37742 347.64056
7850.0000 -93.84592 -92.40209 1.44383 1.74240 -92.40583 324.03336
7855.0000 -93.83406 -92.05416 1.77991 1.75593 -92.25288 343.95242
7860.0000 -93.43096 -91.85011 1.58085 1.78374 -91.93864 369.84425
7865.0000 -94.00707 -92.58227 1.42480 1.75596 -92.25265 337.88783
7870.0000 -94.51053 -92.86752 1.64301 1.72223 -92.63387 324.38100
7875.0000 -94.10920 -92.41376 1.69545 1.72554 -92.59644 327.28045
7880.0000 -94.08155 -92.76393 1.31762 1.73020 -92.54373 325.28707
7885.0000 -94.22011 -92.69398 1.52612 1.71624 -92.70152 305.47749
7890.0000 -93.92759 -92.33714 1.59046 1.74211 -92.40918 345.37740
7895.0000 -93.81068 -92.01183 1.79885 1.76088 -92.19695 366.13161
7900.0000 -93.87156 -92.07841 1.79315 1.77292 -92.06095 374.05755
7905.0000 -94.28211 -92.74740 1.53471 1.72989 -92.54722 328.11991
7910.0000 -94.03157 -92.29047 1.74110 1.73357 -92.50569 328.92854
7915.0000 -93.49823 -92.11044 1.38779 1.74503 -92.37619 340.22768
7920.0000 -93.92649 -92.19313 1.73336 1.74063 -92.42585 324.56614
7925.0000 -93.40614 -91.96682 1.43932 1.77821 -92.00112 373.82975
7930.0000 -93.72580 -91.65237 2.07343 1.78737 -91.89754 366.91318
7935.0000 -93.76978 -91.88835 1.88143 1.80036 -91.75071 379.17625
7940.0000 -93.88310 -92.13388 1.74921 1.75783 -92.23144 328.43674
7945.0000 -94.02748 -91.92712 2.10036 1.77747 -92.00943 356.31418
7950.0000 -93.92707 -92.28126 1.64581 1.78033 -91.97717 358.46685
7955.0000 -94.20596 -92.15712 2.04885 1.74986 -92.32159 347.90829
7960.0000 -94.15379 -92.41961 1.73419 1.75113 -92.30716 362.69696
7965.0000 -94.14007 -92.45973 1.68034 1.72869 -92.56081 329.87368
7970.0000 -94.26681 -92.53549 1.73132 1.73572 -92.48142 341.39235
7975.0000 -94.43942 -92.55788 1.88154 1.72629 -92.58797 333.37787
7980.0000 -94.26193 -92.56188 1.70005 1.72665 -92.58393 332.07600
7985.0000 -93.62463 -92.21007 1.41455 1.74043 -92.42808 337.73418
7990.0000 -94.22313 -92.75955 1.46359 1.72993 -92.54685 335.31472
7995.0000 -94.38536 -92.71711 1.66825 1.73066 -92.53857 331.04493
8000.0000 -94.45281 -92.92884 1.52396 1.69477 -92.94417 293.48557
FREEZING PROCESS: loop number 33 T-loop= 315.00000000000000
main_MD> interactions number 33 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85599 -0.17484 0.73625
force_rgl> df(natom) -1.68428 -0.63779 0.73856
8005.0000 -94.26059 -92.76833 1.49225 1.71517 -92.71361 320.86348
8010.0000 -94.15963 -92.44494 1.71468 1.72170 -92.63981 324.08161
8015.0000 -94.41584 -92.70751 1.70833 1.73730 -92.46346 331.51095
8020.0000 -94.22884 -92.60681 1.62203 1.71739 -92.68851 312.44956
8025.0000 -93.96575 -92.44188 1.52387 1.73871 -92.44753 342.48302
8030.0000 -94.13701 -92.81413 1.32288 1.73809 -92.45460 345.70975
8035.0000 -94.10063 -92.33094 1.76969 1.73787 -92.45710 324.52839
8040.0000 -94.13608 -92.49047 1.64561 1.74949 -92.32573 332.80070
8045.0000 -94.11352 -92.51193 1.60159 1.73173 -92.52647 333.53221
8050.0000 -94.21010 -92.64897 1.56114 1.72411 -92.61264 327.89907
8055.0000 -94.25366 -92.77891 1.47475 1.71655 -92.69801 317.95583
8060.0000 -94.22935 -92.67737 1.55197 1.71307 -92.73739 303.43448
8065.0000 -94.37855 -92.47731 1.90123 1.70263 -92.85536 297.62840
8070.0000 -94.23515 -92.66818 1.56697 1.73481 -92.49168 332.17758
8075.0000 -93.72322 -92.41179 1.31143 1.72074 -92.65074 319.37583
8080.0000 -94.15426 -92.31597 1.83829 1.74132 -92.41807 341.91112
8085.0000 -94.27393 -92.79632 1.47761 1.71847 -92.67633 317.85795
8090.0000 -94.67171 -92.99323 1.67848 1.70150 -92.86819 301.15082
8095.0000 -94.07279 -92.69972 1.37308 1.72158 -92.64119 309.52059
8100.0000 -94.52418 -92.84252 1.68166 1.70424 -92.83721 291.27843
8105.0000 -94.38025 -93.09114 1.28911 1.70620 -92.81508 288.81994
8110.0000 -94.37759 -93.06910 1.30849 1.68814 -93.01914 277.21200
8115.0000 -94.39463 -92.96152 1.43311 1.68575 -93.04616 265.93863
8120.0000 -94.36067 -92.97581 1.38486 1.70758 -92.79939 289.72373
8125.0000 -94.43880 -92.83343 1.60537 1.69836 -92.90362 274.61537
8130.0000 -94.18539 -92.55997 1.62542 1.71706 -92.69222 298.77200
8135.0000 -94.02949 -92.98122 1.04828 1.71042 -92.76736 301.48508
8140.0000 -94.55098 -93.17731 1.37367 1.69098 -92.98710 276.16890
8145.0000 -94.06454 -92.78465 1.27988 1.70423 -92.83727 290.32728
8150.0000 -94.05839 -92.54150 1.51689 1.70288 -92.85260 302.13689
8155.0000 -94.35402 -92.95584 1.39818 1.70494 -92.82929 293.26140
8160.0000 -94.29809 -92.83130 1.46679 1.71255 -92.74330 311.88171
8165.0000 -94.13810 -92.57049 1.56761 1.71115 -92.75913 310.96359
8170.0000 -94.11726 -92.67498 1.44228 1.72565 -92.59516 311.64396
8175.0000 -94.02173 -92.48626 1.53547 1.73905 -92.44374 341.20264
8180.0000 -94.49175 -92.85647 1.63527 1.71035 -92.76814 309.32431
8185.0000 -94.36146 -92.83972 1.52175 1.70526 -92.82566 303.71001
8190.0000 -94.03955 -92.54888 1.49067 1.74068 -92.42526 336.82685
8195.0000 -94.20094 -92.64058 1.56035 1.72308 -92.62421 319.98352
8200.0000 -94.15120 -92.92749 1.22371 1.71161 -92.75391 306.92334
8205.0000 -94.28654 -92.62094 1.66560 1.71262 -92.74246 312.20649
8210.0000 -94.24542 -92.95869 1.28673 1.71308 -92.73725 309.40853
8215.0000 -94.32234 -93.08936 1.23299 1.69328 -92.96108 291.37376
8220.0000 -94.53738 -93.18744 1.34994 1.70214 -92.86097 302.55911
8225.0000 -94.23570 -92.64315 1.59255 1.68861 -93.01389 286.92834
8230.0000 -94.30874 -92.83832 1.47042 1.72227 -92.63335 320.22814
8235.0000 -94.43468 -92.71198 1.72270 1.72464 -92.60656 326.62029
8240.0000 -94.46737 -93.12155 1.34582 1.69743 -92.91421 288.24134
8245.0000 -94.28048 -93.02482 1.25567 1.68651 -93.03757 275.63537
8250.0000 -94.21426 -92.40246 1.81180 1.69951 -92.89064 292.13957
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 6 [min], 14.3331119 [s].
main_MD> Deallocating global variables
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